#DEFINITION	Reference Metabolome for Cinnamomum camphora
#IDENTTFIER	RefMeta-Cinnamomum camphora.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Cinnamomum camphora
#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 Cinnamomum camphora 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	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5984
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04986	6.2
73.02888	5.4
77.03906	2.4
79.05483	81.2
81.03407	13.1
81.07043	86.5
83.04974	11.2
83.08604	13.2
85.02897	23.2
85.06516	3.7
86.09692	8.4
90.65942	1.7
91.03947	5.4
91.05472	100.0
92.05785	2.1
93.07031	80.9
95.04964	13.1
95.08597	56.1
97.02884	15.8
97.06522	9.8
97.10157	6.2
98.98480	2.5
99.04440	2.4
99.08072	3.5
103.05446	5.5
105.04524	4.0
105.07018	76.5
107.04939	6.5
107.08573	42.4
109.06512	7.7
109.10132	25.4
111.04415	2.1
111.08079	4.2
115.05459	6.0
116.06246	3.0
117.07000	40.8
119.08573	55.6
121.06470	4.9
121.10133	30.8
123.08070	6.2
123.11696	7.6
124.99979	7.7
125.09624	5.6
127.03893	7.8
127.05440	2.3
128.06253	9.4
129.05452	4.7
129.06990	26.0
130.07803	4.8
131.08543	51.9
133.06483	3.5
133.10117	43.9
135.08022	6.5
135.11664	19.2
137.09576	3.4
141.06963	9.3
142.07770	5.2
143.08543	29.6
145.04938	6.0
145.06454	3.6
145.10098	41.1
147.07986	2.3
147.11667	35.6
149.09602	8.6
149.13245	11.3
151.26369	1.8
152.26497	1.8
153.06972	5.0
154.07835	3.1
155.08563	14.0
156.09346	3.5
157.10112	29.6
159.08080	2.0
159.11667	33.1
161.09622	4.4
161.13234	16.7
163.06035	3.5
163.11148	3.4
163.14745	1.8
167.08514	5.8
168.09285	3.5
169.10114	19.6
171.11638	21.3
173.04453	2.5
173.11780	3.9
173.13194	17.5
175.11104	3.2
175.14844	8.3
177.12718	2.8
179.08562	3.5
181.10063	9.6
182.10912	2.6
183.08076	1.9
183.11681	18.1
184.07330	28.1
185.13216	17.8
187.11221	2.9
187.14801	9.8
189.16431	2.4
193.10135	4.3
195.11661	10.7
195.13458	2.9
197.13237	14.1
199.14774	9.9
201.16362	2.5
207.11729	3.2
209.13191	7.3
211.14828	6.2
213.16348	5.6
215.17970	3.2
221.13184	5.1
223.14783	7.0
225.16367	4.9
227.17972	2.9
229.14322	4.0
229.19649	1.9
231.20985	2.6
235.14696	1.9
237.16473	3.8
239.17957	5.1
241.19589	7.3
247.20624	2.2
249.16341	3.0
251.18007	2.6
253.19615	3.6
255.17509	2.4
257.19019	7.7
259.20551	24.8
260.21158	1.9
261.22116	2.5
267.20959	2.1
269.17337	8.9
271.20517	3.1
275.20114	7.5
285.22018	2.7
289.21384	2.2
313.21744	2.4
315.23096	4.7
333.24188	28.1
335.25729	6.5
339.23212	2.9
349.23901	5.4
351.26154	2.6
381.28137	2.7
417.31277	2.3
435.32431	5.3
453.33514	2.6
488.01260	2.2
501.35529	3.3
513.35706	7.1
515.37592	4.6
517.40405	7.3
525.36017	2.6
527.37189	21.6
535.41388	2.1
539.37122	2.3
545.38544	2.5
591.43939	6.9
597.44434	2.6
607.43390	10.4
609.45074	59.6
610.44977	2.6
625.44592	12.9
771.49274	5.6
1002.51276	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	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11163	2.1
52.62951	1.8
55.05510	3.2
56.05027	17.0
56.96542	6.2
57.04548	2.9
58.06575	2.8
58.96148	3.2
59.06121	28.3
59.99939	3.0
60.04506	7.0
60.95836	5.6
71.08235	2.0
71.11192	5.7
74.06042	2.9
81.57333	1.7
82.01424	2.8
83.01503	7.7
83.06082	3.7
84.01163	3.3
84.04488	3.5
100.02454	6.5
101.00861	20.0
101.02547	43.3
101.07116	6.6
102.02252	11.5
118.03472	3.7
119.01909	100.0
119.03608	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	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01868	5.5
55.05507	29.1
56.05029	12.4
56.05857	1.0
56.96560	30.4
57.03443	4.6
58.02956	1.5
58.06590	8.2
58.96152	1.7
58.99849	2.3
59.04989	8.4
59.06118	58.0
59.93089	1.5
59.96159	2.3
59.99927	2.2
60.04516	5.6
60.06445	0.9
60.95847	11.5
61.02916	1.6
68.02630	2.6
69.01849	1.1
69.03408	0.9
69.04519	1.0
70.06570	1.0
70.99847	1.6
71.01359	4.4
71.04982	3.6
71.51444	1.4
71.51842	1.1
71.95258	1.5
72.04503	1.0
72.06865	0.9
72.08150	10.6
72.52937	2.9
73.02910	11.7
74.02438	6.5
74.06076	6.5
75.01054	1.1
76.02633	0.8
76.51551	1.1
77.00878	6.2
78.00963	1.7
78.52975	1.0
79.01836	2.2
81.01921	1.3
82.01431	1.6
83.00753	1.6
83.01490	3.3
83.04976	12.0
83.06087	1.8
83.06883	0.9
83.90107	0.8
84.01146	1.5
84.01599	1.0
84.04498	4.4
84.06850	2.1
84.08138	5.8
85.02888	4.7
86.52678	2.0
88.02351	1.0
89.00826	1.4
89.03445	1.6
90.01550	1.4
95.01942	4.1
97.01658	0.9
98.97536	2.0
100.02470	9.9
101.00254	1.4
101.00881	12.9
101.02512	31.2
101.06048	5.1
101.07120	7.8
101.07913	4.8
102.02232	13.7
102.05521	3.9
102.09160	1.9
102.11944	0.8
103.02412	0.9
104.15579	0.7
109.70969	0.8
115.01137	1.7
116.98603	1.8
117.95961	1.1
118.02924	0.7
118.03512	8.4
118.96783	0.9
119.01909	100.0
119.03593	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5933
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37103	1.9
71.04973	4.8
73.02909	5.4
77.03895	2.2
79.05015	2.0
79.05483	87.0
81.03404	17.6
81.07047	100.0
82.07386	2.0
83.04974	16.8
83.08607	23.0
85.02888	13.7
85.06547	5.0
86.09671	4.1
91.03946	7.4
91.05472	95.9
92.05782	2.3
93.07035	81.8
95.04962	18.8
95.08598	57.6
97.02893	17.4
97.06522	17.5
97.10144	12.6
99.04430	3.3
99.08085	4.2
103.05444	4.5
105.04561	2.7
105.06310	3.7
105.07021	76.5
106.07375	2.0
107.04965	12.5
107.08582	49.6
109.02866	4.0
109.06499	8.1
109.10134	25.6
111.04425	3.2
111.08088	9.2
115.05434	3.0
117.07011	32.8
119.08566	62.2
121.06521	8.8
121.10139	32.6
123.08080	8.2
123.11689	6.9
125.09649	10.0
127.03909	10.1
128.06236	5.5
129.05482	4.9
129.06990	21.5
131.08554	43.8
133.06508	3.8
133.10123	45.9
135.08051	8.3
135.11679	24.5
137.09598	6.4
139.03893	5.0
139.11188	2.7
141.06976	8.9
142.07735	4.6
143.08531	17.5
145.04955	5.2
145.06467	2.8
145.10115	35.2
147.08064	2.4
147.11687	31.7
149.09607	19.5
149.13242	12.3
151.11205	4.2
155.08539	15.2
157.06461	2.5
157.10100	19.9
158.61630	2.0
159.08020	3.9
159.11668	26.7
161.09598	2.8
161.13243	15.1
163.11214	11.9
165.09013	2.7
167.08533	4.2
167.31157	2.2
168.09293	2.2
169.10092	11.9
171.10257	3.6
171.11642	19.6
173.04471	3.5
173.09535	3.4
173.11876	3.3
173.13246	14.1
175.11215	3.5
175.14821	4.9
177.12755	8.7
179.14236	3.6
181.10143	3.6
183.11691	15.0
184.07323	4.7
185.09567	3.4
185.13187	9.5
187.11206	3.8
187.14787	6.5
189.11104	4.1
195.11673	6.3
195.13826	5.8
197.13228	8.7
199.14740	5.3
201.16385	3.6
209.13251	6.5
211.14815	6.6
213.16364	5.6
215.14406	2.6
219.13773	2.6
221.13223	4.6
223.14825	5.3
227.12675	10.8
229.14345	6.5
229.19514	2.4
237.16328	2.4
239.17953	6.5
241.19531	8.1
249.16483	2.4
255.15871	5.8
257.18973	11.5
259.20560	22.5
261.22061	3.6
267.15964	4.1
269.17386	23.2
273.18646	3.4
275.20050	46.8
276.20535	2.5
277.21536	2.6
283.20447	2.3
293.21039	2.5
297.22147	3.6
299.20096	2.0
315.23077	5.0
331.22614	3.0
333.24207	21.3
349.23737	36.1
355.26361	2.2
365.23590	2.0
367.24899	4.0
417.31702	2.4
419.28717	2.4
421.31274	2.9
423.27573	2.7
449.28894	3.9
463.30566	6.8
471.34686	2.6
487.33838	5.3
513.35730	28.1
515.38123	5.7
525.35687	2.9
527.37317	16.4
529.34845	2.1
543.36731	14.4
545.37921	2.6
551.40857	2.8
607.43372	20.1
623.42761	4.5
625.44373	24.0
982.64862	2.8
1019.49396	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	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	3.3
53.01604	0.8
53.03704	1.5
53.03944	22.8
55.01875	1.0
56.96559	1.6
60.08152	1.1
67.52204	0.8
69.86935	0.9
69.87253	5.7
77.03918	3.5
78.04704	17.3
81.03412	1.7
83.36148	0.8
83.42316	1.0
95.04961	32.4
97.16265	0.9
99.70149	0.8
101.60007	0.8
102.04698	4.3
103.05462	100.0
104.06271	12.3
104.10774	1.2
105.04510	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	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.6
53.03708	1.4
53.03941	20.5
56.96558	2.7
57.05378	0.9
58.06606	0.7
59.06111	4.7
60.04522	0.8
60.12621	0.7
62.84887	0.7
69.81104	1.3
69.81513	3.2
74.87479	0.8
77.03928	3.7
81.03416	1.8
88.16322	0.7
95.04957	32.6
95.05568	1.7
95.91330	0.7
102.04691	3.5
103.05455	100.0
104.05788	2.2
104.10746	2.3
105.04500	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	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	1.1
51.02372	3.0
53.03942	25.4
55.01863	1.7
55.10645	0.5
56.05027	11.5
56.96556	10.8
57.03430	5.6
57.04541	2.4
57.05075	0.7
57.05362	11.0
58.02957	3.4
58.06595	16.3
59.04980	0.8
59.05827	1.3
59.06116	23.5
59.65219	0.6
60.02139	0.7
60.04520	6.4
60.08155	8.2
60.95850	7.2
62.06081	30.4
64.23636	0.7
67.05492	1.0
68.05035	0.7
70.06560	0.9
71.03358	1.8
71.07375	0.6
72.04492	1.4
72.06861	0.7
73.07671	6.6
74.06071	2.3
75.01053	1.1
75.04472	1.1
75.05593	5.3
75.06409	0.7
75.94543	1.4
77.03917	5.3
81.03394	4.4
85.02892	7.3
85.04011	1.4
85.04828	2.1
85.06550	0.7
85.07664	7.1
86.03258	1.2
86.06057	23.5
86.09697	1.5
87.04458	0.9
95.00761	0.6
95.04955	44.7
102.04677	5.5
102.96855	1.4
103.03968	12.0
103.05454	100.0
103.08689	57.7
104.05782	1.4
104.07066	0.9
104.10723	16.4
105.04504	12.7
105.05217	0.7
109.02857	2.2
120.97887	1.9
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
51.02374	2.6
53.03942	19.2
56.13150	0.9
56.96296	1.3
56.96559	15.7
57.03426	1.1
58.06587	1.8
59.06104	2.1
60.04511	1.0
60.08154	3.3
60.95835	2.1
67.51067	1.5
71.53108	1.8
76.51570	1.1
77.03914	3.4
78.04272	1.5
78.04701	22.8
79.01779	1.1
79.51992	1.7
81.03412	1.8
85.02901	1.6
88.02351	3.4
89.72716	1.0
95.04953	33.6
102.04675	4.5
103.03961	3.1
103.05456	100.0
104.05628	1.2
104.06249	19.7
104.10723	4.5
105.04506	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	104.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	1.0
51.02364	1.0
52.03149	0.9
53.03944	4.4
54.04270	0.8
55.01852	0.7
57.76799	0.6
58.06601	4.3
60.08155	9.1
60.95860	3.5
62.92958	1.4
67.59264	0.6
69.50697	0.8
71.53159	1.2
77.03935	1.2
78.04704	100.0
78.51214	0.7
79.05028	1.6
79.05482	8.1
81.03403	1.2
87.04475	1.1
95.04951	6.6
96.05292	1.5
102.04707	1.1
103.05459	63.6
104.06264	69.2
104.10722	15.2
105.03425	1.6
105.04529	2.6
105.07044	15.1
105.07681	1.1
114.12895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86044	0.2
58.06592	5.1
59.07380	1.8
60.08156	51.5
61.08487	0.3
69.66322	1.1
69.66740	0.6
70.27975	0.2
71.53288	0.2
92.77846	0.3
97.76733	0.2
98.20765	0.4
104.10728	100.0
105.10454	0.2
105.11086	1.5
121.34515	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	1.1
51.02371	2.0
53.03716	0.9
53.03945	13.7
55.01863	1.4
57.52721	0.7
60.31609	0.6
65.03922	2.3
71.48193	1.4
77.03914	3.0
79.05489	48.4
80.05808	0.7
81.03415	1.2
95.04967	20.3
103.05458	33.0
105.04523	7.7
105.07024	100.0
105.11037	1.1
106.07360	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.23138	0.5
51.02372	2.0
51.20295	0.6
53.03705	1.0
53.03944	13.9
58.93167	0.6
65.03929	2.5
69.37188	5.9
72.76047	0.5
77.03923	3.4
79.05489	55.3
80.05833	0.9
81.03401	1.6
84.85134	0.6
95.04967	21.8
98.20793	1.3
103.05463	32.7
104.05778	1.1
105.03396	1.0
105.04533	6.4
105.07024	100.0
106.06635	1.0
106.07355	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.3
53.03939	12.8
61.60913	0.7
62.61141	0.9
65.03938	1.1
65.71159	0.7
69.60838	5.8
77.03927	3.1
77.04363	0.7
79.05486	52.1
95.04958	20.1
103.05460	32.6
105.04539	4.6
105.07022	100.0
105.11074	0.9
106.04686	0.7
106.07356	3.1
113.76025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02369	2.3
53.03944	13.1
55.01840	0.8
65.03939	1.2
71.48149	1.7
77.03922	3.6
79.05487	55.4
81.03400	1.9
93.65727	0.8
95.04961	21.0
103.05462	34.6
104.05796	1.1
105.04533	5.1
105.07024	100.0
106.07350	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02372	2.4
52.55751	0.7
53.03941	13.7
55.01857	1.3
61.08485	1.4
65.03927	3.0
70.97669	2.0
77.03914	2.6
79.05483	50.5
80.05785	0.7
81.03400	1.1
89.66003	0.7
91.05460	1.0
95.04959	20.6
96.05299	0.8
103.05456	30.8
104.05762	0.9
105.04530	5.9
105.07019	100.0
105.11031	4.3
106.06581	1.5
106.07365	2.7
118.06555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01579	0.6
51.02373	1.4
53.03710	0.9
53.03942	13.3
63.46686	0.5
64.92762	0.6
65.03925	2.4
65.74290	0.5
69.55627	3.6
77.03917	2.5
79.05489	53.7
80.05839	0.7
81.03403	1.6
91.78384	0.5
95.04961	23.4
102.04646	0.5
103.05461	31.5
104.05761	0.8
105.03418	0.9
105.04519	7.8
105.07024	100.0
106.06612	1.2
106.07365	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01602	0.6
51.02366	1.9
53.03946	12.6
55.06190	0.6
57.68440	0.7
60.04505	0.9
64.96344	0.6
65.03931	2.2
68.66491	0.6
70.86430	1.4
70.86779	1.1
72.58735	0.7
76.19948	0.6
77.03928	3.0
79.05489	48.6
81.03416	0.9
91.77369	0.7
95.04964	20.0
96.04526	0.7
99.60249	0.7
103.05460	32.2
104.89002	0.7
104.90865	0.6
105.04522	7.7
105.07022	100.0
106.06589	1.1
106.07341	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	106.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01566	0.2
51.02369	0.4
53.03945	3.2
55.01850	0.3
56.96552	0.6
59.03742	0.5
60.04508	0.7
60.93685	0.2
65.03928	1.6
67.04241	1.8
67.05500	0.4
69.25348	1.9
70.06580	0.3
72.04527	0.2
74.71711	0.2
77.03931	0.8
78.03439	0.7
78.04645	0.2
79.05488	22.1
80.05024	2.5
80.05779	0.5
81.03411	0.4
88.07592	0.3
89.03912	0.5
91.05473	7.4
92.06306	0.2
95.04961	4.8
96.04484	3.1
96.05164	0.3
104.05779	0.2
105.04523	1.2
105.07026	2.2
106.06548	100.0
107.04954	4.3
107.06074	2.0
107.06879	2.3
107.08573	2.1
109.06509	1.1
119.06076	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02364	2.3
53.03940	17.0
53.33856	0.8
54.04280	0.9
55.01852	3.2
60.30063	0.8
61.36568	0.8
63.93858	0.8
65.03935	9.4
67.05487	3.5
70.67235	1.0
71.52720	1.6
77.03920	2.7
77.33804	0.8
78.04691	1.6
79.05486	46.2
80.05011	6.2
80.05817	1.3
80.97836	0.8
81.03403	2.5
88.02828	0.8
91.05471	62.4
92.06278	1.6
93.05751	1.3
95.04356	1.9
95.04956	30.8
96.04467	1.8
105.04502	5.9
105.07015	15.7
107.04942	100.0
107.08571	15.6
108.04463	4.0
108.05228	1.8
108.08122	4.7
109.06509	6.6
110.81300	0.9
119.06039	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	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02372	1.5
51.96043	0.5
53.03944	13.7
55.01867	2.3
59.61442	0.5
63.98534	0.6
65.03934	5.0
67.05491	1.0
69.37768	4.9
75.57954	0.4
77.03922	2.2
77.04339	0.5
77.35201	0.4
78.04709	1.0
79.05488	23.5
79.65828	0.5
80.05018	0.7
81.03408	1.6
83.14320	0.5
91.05476	32.1
92.06263	0.8
95.04963	20.1
105.04511	4.9
105.07024	9.7
107.04947	100.0
107.08575	9.9
108.04634	0.5
108.05208	2.2
108.81182	0.5
109.06513	5.1
110.89069	0.5
119.06072	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	107.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.6
53.03944	16.4
55.01852	2.4
58.27804	0.8
62.92590	0.9
65.03925	4.7
67.05504	1.8
70.04511	4.7
77.03924	2.6
78.04688	3.8
79.05485	38.1
79.72242	1.0
80.05000	2.1
81.03398	3.1
82.99170	0.9
91.05473	24.6
92.06277	1.5
95.04359	2.0
95.04955	29.7
105.04498	8.0
105.07016	7.4
107.04943	100.0
107.08543	5.7
108.04520	1.0
108.05181	1.4
108.08129	1.0
109.06526	3.0
119.06072	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02358	0.3
53.03940	1.9
53.50413	0.2
55.01865	0.5
55.05508	0.5
65.03936	14.1
66.04282	0.2
67.04243	1.2
67.05504	3.4
71.29420	0.2
71.48634	0.4
77.03905	0.4
79.05486	17.1
80.05017	2.8
80.05777	0.2
81.03435	0.2
83.99207	0.2
91.05475	100.0
92.03742	0.3
92.05794	1.9
92.06261	2.6
93.05766	0.3
95.04960	3.6
103.05455	0.5
105.04536	0.6
105.07024	28.1
106.04182	0.5
106.06683	0.3
106.07377	0.6
107.04209	0.3
107.04948	8.1
107.06050	1.7
107.08587	24.7
108.04494	0.5
108.05579	0.6
108.08107	0.6
108.08904	0.7
109.06508	13.0
110.06831	0.3
119.06063	6.4
120.99921	0.2
124.05186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.6
53.03949	3.4
55.01869	0.9
65.03935	13.8
67.04263	1.5
67.05501	2.3
71.52312	0.4
71.52723	0.5
77.03896	0.4
77.40496	0.4
78.29031	0.3
79.05489	19.2
80.05013	4.3
81.01122	0.4
81.08646	0.4
91.05474	100.0
91.82468	0.4
92.05722	2.1
92.06302	2.4
93.01698	0.4
95.04950	5.1
103.05439	0.7
105.04522	1.3
105.07024	29.0
106.04177	0.7
106.07343	0.9
107.04952	10.9
107.06047	2.1
107.08584	27.4
108.04475	0.8
108.05660	0.6
108.08186	0.7
108.08888	0.7
109.06508	14.2
110.58543	0.4
119.06062	6.5
119.49841	0.4
123.90165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.01577	0.3
50.56330	0.3
53.03944	1.2
54.52107	0.3
55.01870	0.5
65.03934	14.2
67.04256	0.5
67.05498	2.5
69.69266	2.2
79.05485	12.3
80.05018	1.1
80.05838	0.4
91.05470	100.0
92.05730	1.4
92.06296	2.3
95.04942	3.1
98.21458	0.6
103.05477	1.0
105.04492	0.5
105.07017	29.0
106.04143	0.5
106.07383	0.6
107.04942	6.2
107.06085	0.8
107.08578	28.5
108.04446	0.5
108.05591	0.4
108.08918	0.8
109.06503	14.7
119.06049	6.5
124.05176	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02371	0.5
53.03940	2.9
53.08133	0.4
55.01862	1.0
65.03931	15.0
67.04232	0.5
67.05492	4.7
68.19919	0.4
70.68324	1.3
74.71582	0.3
77.03943	0.4
79.05484	21.1
80.05015	0.9
80.05810	0.6
91.05469	100.0
92.05754	2.1
92.06285	2.7
95.04945	3.9
103.05408	0.6
105.04509	0.6
105.07018	26.7
106.04177	0.6
106.07368	0.6
107.04938	5.6
107.06083	1.0
107.08578	26.8
108.04490	0.4
108.08169	0.3
108.08930	0.6
109.06502	12.6
119.06049	5.7
124.05259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01857	0.9
65.03934	13.6
67.05508	3.0
70.66669	0.8
77.03898	0.4
79.05486	21.5
80.05000	1.8
81.03419	0.5
91.05473	100.0
92.05778	1.4
92.06268	2.6
95.04964	5.8
100.00803	0.4
103.05466	0.9
105.04497	0.9
105.07020	29.5
106.07341	0.6
107.04944	10.3
107.06054	0.8
107.08583	30.0
108.04475	0.5
108.05650	0.7
108.08914	0.7
109.06506	13.4
119.06057	6.8
124.05176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
51.34725	0.4
53.03939	2.0
55.01863	0.7
65.03937	14.1
65.13350	0.4
67.05495	2.4
67.38467	0.4
69.38093	1.3
69.38519	2.9
78.04710	1.1
79.05492	16.6
80.05002	1.0
80.05838	0.7
87.53580	0.5
88.60473	0.4
91.05476	100.0
92.05774	1.5
92.06254	3.1
95.04961	3.0
96.29654	0.4
100.29046	0.5
103.05457	0.7
105.04534	1.2
105.07027	30.0
106.04170	0.5
106.07376	0.7
107.04942	5.4
107.06077	0.5
107.08588	26.8
108.08101	0.5
108.08885	0.7
109.06514	13.8
109.07265	0.7
119.06047	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	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03934	0.8
55.01867	0.6
60.69809	0.3
65.03934	14.8
65.04283	0.7
67.05502	2.5
71.07192	0.4
71.07509	0.4
79.05482	11.2
80.05792	0.4
91.05468	100.0
92.05795	1.8
92.06276	2.2
95.04966	1.6
103.05444	0.8
105.07017	27.1
106.04156	0.7
106.07359	0.9
107.04980	1.5
107.08578	30.4
108.08892	0.6
109.06508	15.7
110.06846	0.4
113.15488	0.3
119.06048	6.2
124.05148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03943	1.9
55.01868	0.9
55.05516	0.4
60.58130	0.2
61.05049	0.3
61.32901	0.2
63.02381	0.3
65.03937	14.1
67.04285	0.2
67.05502	3.4
70.19646	1.1
72.87679	0.3
75.00781	0.3
77.03916	0.4
78.04715	0.6
78.66891	0.3
79.05489	15.5
80.05023	1.3
81.03394	0.5
85.18447	0.3
87.09097	0.3
87.35030	0.3
91.05474	100.0
92.05740	1.9
92.06294	2.2
95.04965	4.0
98.21478	0.3
103.05463	1.0
105.04522	1.0
105.07024	27.2
106.04183	0.5
106.07347	0.7
107.04947	8.4
107.06058	0.5
107.08584	29.5
108.04471	0.6
108.08133	0.6
108.08932	0.8
109.06509	14.5
119.06055	6.5
124.05224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	108.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16484	0.8
51.02373	1.2
52.03178	0.9
53.03937	17.3
54.04259	1.3
55.01867	1.9
55.05523	1.0
62.68983	0.8
65.03933	37.8
65.04281	1.8
66.04283	1.3
66.04700	1.8
67.05495	17.3
68.05008	1.8
69.07056	0.9
70.55166	3.3
77.03906	1.3
78.04700	100.0
79.05032	2.5
79.05466	13.1
80.05009	4.0
80.05806	1.5
80.06257	1.6
81.03407	35.5
81.07034	6.9
91.05482	4.0
92.05804	7.6
93.03385	6.7
93.05775	2.1
94.04173	11.2
95.04934	4.3
105.04519	1.4
106.07358	1.8
107.04961	2.6
108.04494	3.2
108.05729	43.3
108.08138	3.4
108.08900	2.0
109.02880	6.7
109.06511	12.6
109.07671	2.8
109.10133	6.1
110.06839	1.2
111.04424	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	109.0651
Annotation	o-Cresol
Peak:m/z	Relative Intensity
50.49882	0.4
51.02393	0.6
53.03944	20.8
54.04282	0.4
55.01865	7.8
55.05508	8.7
55.67527	0.5
56.05042	0.7
61.05521	0.4
62.99076	0.5
65.03940	9.0
66.04722	1.0
67.05501	69.5
68.05026	5.9
68.05833	1.3
69.04551	0.7
69.07062	4.1
69.39904	2.4
69.40332	1.6
79.05489	48.4
80.05034	0.8
80.05826	0.8
80.06278	1.1
81.03414	27.3
81.07051	54.6
82.03735	0.6
82.06577	5.2
82.07362	0.9
87.00456	1.1
91.05475	15.2
92.04998	1.1
94.04183	9.3
94.07831	1.0
95.04967	1.6
98.21577	0.5
107.04960	3.4
107.08575	2.4
109.02870	6.6
109.06511	100.0
109.07603	11.2
109.10146	29.6
109.10924	0.9
110.06038	3.1
110.07099	2.9
110.10453	0.6
111.04433	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.065
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02378	3.0
53.00284	0.6
53.03942	47.2
54.03453	1.4
54.04268	1.8
54.88181	0.6
55.01867	6.9
55.05264	0.9
55.05506	12.6
56.05020	2.2
65.03932	16.1
66.04703	1.2
67.02981	1.7
67.04253	3.7
67.05496	80.3
67.93552	0.7
68.05020	30.3
68.05799	1.2
69.03407	0.8
69.04546	1.7
69.05791	1.8
69.07054	5.7
71.52031	0.8
74.17400	0.6
78.42757	0.6
79.05484	53.1
80.05002	3.3
80.05791	1.6
80.06260	1.3
81.03408	78.9
81.04462	1.7
81.07044	65.5
82.02902	0.7
82.03744	1.7
82.05273	0.7
82.06570	19.8
82.07330	1.3
83.06075	1.1
87.00435	2.0
91.05465	17.3
92.05003	5.7
93.04520	0.7
94.04167	11.4
94.07833	1.2
94.20303	0.6
95.04959	1.9
107.04960	4.8
107.08595	2.5
109.02870	14.1
109.06500	100.0
109.07623	62.2
109.10136	33.9
110.03650	1.7
110.06047	10.1
110.07212	6.1
110.07907	1.2
111.04426	1.3
113.96397	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02374	0.7
53.03943	14.6
55.01596	0.5
55.01865	7.6
55.05508	5.6
56.76880	0.4
58.89498	0.4
65.03940	6.0
66.04707	1.5
67.05501	41.2
68.05008	2.3
68.05852	0.4
69.04541	0.9
69.07064	3.2
69.44260	3.3
76.14884	0.4
77.03883	0.4
79.05487	42.6
80.05814	1.2
80.06253	0.8
81.03415	17.6
81.07049	46.1
82.06579	1.3
82.07393	1.4
91.05471	14.3
94.04182	4.9
94.07785	0.6
95.04963	1.6
96.00961	0.4
107.04940	1.3
107.08567	2.0
109.02882	3.8
109.06509	100.0
109.07683	3.5
109.10145	18.2
110.06033	1.6
110.06925	2.6
126.94218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	3.0
53.00284	0.6
53.03942	47.2
54.03453	1.4
54.04268	1.8
54.88181	0.6
55.01867	6.9
55.05264	0.9
55.05506	12.6
56.05020	2.2
65.03932	16.1
66.04703	1.2
67.02981	1.7
67.04253	3.7
67.05496	80.3
67.93552	0.7
68.05020	30.3
68.05799	1.2
69.03407	0.8
69.04546	1.7
69.05791	1.8
69.07054	5.7
71.52031	0.8
74.17400	0.6
78.42757	0.6
79.05484	53.1
80.05002	3.3
80.05791	1.6
80.06260	1.3
81.03408	78.9
81.04462	1.7
81.07044	65.5
82.02902	0.7
82.03744	1.7
82.05273	0.7
82.06570	19.8
82.07330	1.3
83.06075	1.1
87.00435	2.0
91.05465	17.3
92.05003	5.7
93.04520	0.7
94.04167	11.4
94.07833	1.2
94.20303	0.6
95.04959	1.9
107.04960	4.8
107.08595	2.5
109.02870	14.1
109.06500	100.0
109.07623	62.2
109.10136	33.9
110.03650	1.7
110.06047	10.1
110.07212	6.1
110.07907	1.2
111.04426	1.3
113.96397	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03944	4.7
55.05508	10.6
55.05757	1.0
65.03934	3.4
67.05498	100.0
68.05834	1.8
69.07058	6.7
71.04513	1.2
79.05486	9.3
80.06262	1.2
81.03407	7.0
81.07047	32.3
82.07418	0.7
84.32067	0.5
86.33876	0.5
87.00446	1.9
91.05461	1.3
94.04168	0.8
94.07840	1.5
105.07018	0.7
107.08593	3.5
108.89059	0.5
109.02853	1.1
109.06500	2.2
109.10145	39.5
110.06027	1.8
110.07146	0.8
110.10506	1.5
113.96410	0.9
122.33875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.5
53.00294	0.5
53.03940	9.2
55.01864	0.8
55.05505	10.5
65.03941	4.7
67.05498	100.0
68.05834	2.2
69.07066	7.0
70.54837	1.9
77.99947	0.8
79.05488	8.8
80.06258	2.0
81.03410	12.3
81.07049	33.9
82.07397	0.9
86.00708	0.6
87.00459	8.9
91.05470	1.4
94.04177	1.2
94.07826	1.7
95.04967	0.5
96.00951	1.4
98.51229	1.5
105.07035	0.9
107.08576	3.6
109.02896	2.9
109.06543	2.8
109.07665	0.8
109.10145	43.3
110.06045	4.3
110.07148	0.6
110.10492	1.4
113.96387	3.4
128.35680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00313	0.5
53.03941	5.7
55.05503	11.9
65.03938	4.0
66.28765	0.5
67.05496	100.0
68.05849	2.1
68.22089	0.4
69.07060	6.9
69.33580	3.0
69.34000	1.1
72.93780	0.9
77.99937	0.5
79.05019	0.4
79.05481	9.1
80.06274	1.4
81.03409	7.8
81.07046	33.5
82.07364	0.7
82.60603	0.5
86.00699	1.7
87.00460	7.4
89.96053	0.4
90.94823	0.6
91.05453	1.1
92.98961	0.5
94.07817	1.8
96.00977	0.9
98.21430	1.0
98.51234	2.4
105.06976	0.7
107.08582	3.1
109.02882	1.0
109.06516	2.2
109.10142	42.3
110.06036	2.0
110.10509	1.3
111.96841	0.7
113.96359	3.6
125.72266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.01609	0.5
51.02381	0.9
51.87627	0.4
53.00307	1.0
53.03941	18.5
54.04268	0.7
55.01866	2.5
55.05504	10.5
65.03931	7.1
67.05497	100.0
68.05025	5.2
68.05824	2.5
69.04541	2.3
69.07060	6.5
70.53427	0.4
71.52294	0.5
79.05484	15.9
80.05833	0.8
80.06277	1.6
81.03410	35.0
81.07046	38.1
82.03734	1.1
82.06590	2.3
82.07377	1.0
83.06094	1.4
87.00462	3.1
91.05476	4.3
92.04985	0.6
93.04530	0.9
93.06145	0.8
94.04172	5.6
94.07811	1.4
95.04975	1.3
98.51192	0.5
101.36749	0.4
102.38066	0.5
105.07027	0.8
107.04945	1.7
107.08588	3.7
109.02868	8.1
109.06508	16.0
109.07623	6.2
109.10145	41.2
110.03687	0.7
110.06030	6.9
110.07151	13.5
110.10490	1.2
112.96674	0.5
113.96385	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02375	1.3
53.00314	1.0
53.03942	20.5
55.01868	1.5
55.05507	10.7
65.03932	7.0
66.04713	0.9
67.05497	100.0
68.05022	3.5
68.05827	1.9
69.04556	3.0
69.07059	7.5
69.23839	0.5
71.43716	0.6
71.44073	0.7
72.93782	0.7
77.99920	0.6
78.06075	0.5
79.05486	15.7
80.05000	1.1
80.05814	0.7
80.06276	1.6
81.03407	30.3
81.07046	39.1
81.89079	0.5
82.03744	1.0
82.06578	2.1
83.06100	1.1
84.20631	0.5
86.00655	0.8
86.50624	1.9
87.00452	6.8
91.05467	5.7
93.04490	0.6
94.04175	5.9
94.07815	1.1
95.04961	1.8
95.49651	0.6
96.00972	1.7
98.51234	1.9
105.07023	0.8
107.04939	2.7
107.08595	4.4
109.02882	6.9
109.06506	18.0
109.07637	3.1
109.10144	41.4
110.03650	0.7
110.06028	10.7
110.07155	15.2
110.10477	1.9
111.04415	1.6
113.96375	2.4
119.06052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32170	0.9
53.03944	5.6
54.03470	2.1
55.01871	7.0
55.05505	25.1
55.84548	0.9
56.05029	9.4
56.96560	87.9
57.03426	2.4
58.06595	1.5
60.95816	1.0
65.03934	12.6
65.89740	0.9
66.03446	1.0
67.01862	1.1
67.05498	10.1
68.02647	1.6
68.05022	9.1
68.95267	1.2
68.99779	2.1
69.03429	12.2
69.04524	3.0
69.07059	5.2
69.77477	1.0
70.02943	1.7
70.06586	56.0
70.77262	2.9
70.94243	4.0
70.95854	2.0
70.98101	1.9
71.01347	1.0
71.07365	16.9
71.95255	12.2
74.97585	1.6
77.00855	1.1
79.01862	0.9
81.03403	2.6
82.01405	1.3
82.05316	3.5
82.06567	2.0
83.00790	1.1
83.01286	1.2
83.04974	19.5
83.06097	8.6
84.04507	1.9
84.08129	14.9
84.96033	1.9
85.52073	1.0
88.00455	2.7
88.02341	2.5
88.95296	1.2
88.99101	1.0
90.01566	1.0
91.05459	1.4
93.03397	1.8
93.04516	1.1
93.05787	1.1
93.07026	2.4
94.04057	1.5
94.06560	25.0
95.02444	1.2
95.04950	3.8
95.06056	2.2
96.06859	14.6
96.53097	1.1
97.00995	3.2
97.02315	1.9
97.02842	5.8
97.52108	1.4
97.99171	1.6
98.01291	1.5
98.97557	1.4
100.02476	10.3
101.02572	2.9
102.02254	1.1
103.02400	1.2
104.01270	1.8
105.53589	1.2
108.02361	1.2
109.00498	3.3
110.97541	5.1
111.00785	3.0
111.03700	2.0
111.04429	34.9
111.05556	12.5
111.06387	4.2
111.08107	4.6
111.09190	100.0
112.03952	2.3
112.05083	6.4
112.07597	11.4
112.09525	1.0
115.96458	2.2
116.00227	0.9
116.98647	1.3
117.02030	1.1
117.51787	1.4
118.01009	3.3
118.03525	8.9
119.01901	1.2
119.03628	1.5
120.03312	1.4
123.03960	1.0
128.98595	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	1125.503
Annotation	Unknow
Peak:m/z	Relative Intensity
82.61195	0.1
92.77377	0.1
97.10159	0.2
98.67820	0.1
123.46333	0.1
311.25769	0.2
396.12119	0.4
397.12912	1.1
398.13605	0.5
399.14575	0.3
409.13132	0.4
410.13754	1.1
411.14447	3.1
412.15225	2.5
413.15909	1.5
423.14938	1.2
424.11270	0.8
424.15411	1.2
425.16232	6.6
426.16806	5.4
427.17584	1.3
428.18628	1.3
435.14206	0.2
436.15176	0.3
437.11530	0.3
437.16226	0.6
438.12943	1.3
438.17181	1.1
439.13516	10.5
440.13803	0.9
440.19189	3.7
441.19229	25.9
442.19556	2.4
444.18201	0.2
449.15427	0.2
450.12790	0.2
451.17560	0.6
452.14059	2.1
453.15210	12.5
454.15826	4.0
455.16397	0.3
455.21344	0.3
456.18112	0.2
457.14670	0.7
458.16022	0.4
459.20135	0.3
463.13824	0.6
465.15558	0.7
466.17181	0.6
467.17126	20.3
468.17780	11.4
469.18741	9.4
470.19717	1.0
471.16629	0.6
472.17670	0.6
478.16040	0.2
480.17776	0.7
481.14655	11.2
482.15082	2.7
483.16342	0.4
484.17160	0.2
485.18390	1.0
486.18811	0.4
487.19656	0.2
493.15036	0.2
494.17642	0.7
495.15894	4.0
496.17078	9.1
497.17822	2.9
498.19394	0.7
499.19485	1.0
500.20306	0.2
508.19745	0.8
509.18439	2.0
510.19647	0.5
511.19534	0.2
512.20764	0.8
513.18237	0.3
514.22430	2.6
522.17816	0.6
523.19684	1.4
524.20215	0.2
525.17780	0.2
526.18707	0.2
527.23431	2.3
528.23834	0.6
536.19299	0.3
537.19611	0.6
538.20410	0.2
539.19470	0.5
540.20129	0.5
541.20508	0.4
542.21838	1.0
545.23907	0.4
551.19244	0.3
554.21790	0.2
555.22308	25.4
556.22565	2.8
557.23065	0.2
568.19562	0.3
573.23279	0.4
582.20935	0.3
583.21790	74.5
584.22015	7.7
585.21301	0.2
586.20319	0.7
587.24927	1.4
600.22296	0.2
611.21234	2.1
614.23505	0.8
615.24359	6.9
616.24567	0.4
625.22748	0.2
641.61047	0.2
642.23145	2.9
643.23840	100.0
644.24097	8.7
797.38397	0.1
1095.08789	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	1.1
53.03942	5.7
54.03466	2.5
55.01867	13.3
55.05502	3.5
56.05021	3.4
56.96561	69.4
57.03432	50.4
57.04547	4.6
57.93179	1.0
58.02960	2.6
58.03759	1.7
58.06589	1.5
58.99850	9.9
59.03737	2.1
59.04997	6.2
59.52175	3.3
59.99917	1.2
60.04509	3.3
60.99600	1.3
61.02909	3.1
65.03918	1.3
65.52187	3.1
66.04716	1.6
67.02171	2.6
67.02982	6.1
67.05494	1.6
68.02644	7.0
68.05016	4.4
68.52697	3.2
68.98280	2.8
69.01907	2.6
69.03420	33.0
69.04539	2.0
69.07073	5.2
69.48647	7.8
70.02978	1.2
70.06577	3.0
70.98042	1.2
70.99850	2.7
71.01331	4.1
71.02969	1.9
71.04971	4.4
71.94082	4.5
72.04510	28.8
72.08156	5.3
72.52964	8.1
72.93779	31.3
73.02197	1.2
73.02907	17.3
73.04028	2.8
74.02930	1.8
74.04815	43.8
74.52713	1.2
75.01917	2.3
75.04474	1.3
76.02701	1.3
77.00894	19.7
77.52197	1.3
78.00951	1.5
78.52945	8.4
79.00658	2.5
79.01809	2.5
79.02213	1.7
79.05489	6.7
80.51023	1.4
80.52692	1.9
81.01896	5.1
81.03408	12.8
81.04536	2.4
81.53458	2.6
82.01417	8.8
82.01781	0.9
82.02680	5.1
82.05325	7.4
82.99838	1.8
83.97636	1.7
84.01203	1.2
84.02358	1.1
85.01369	0.9
85.02905	9.1
85.51921	1.8
85.53706	6.4
86.06063	4.1
86.52689	16.2
86.99319	4.6
87.01906	2.6
87.02734	2.1
87.04469	5.8
87.05571	5.9
87.52572	2.9
87.53458	2.1
88.01802	1.3
88.02673	16.3
88.51713	4.0
88.52726	2.6
88.53345	1.1
89.00864	3.7
89.01727	11.0
89.02557	4.0
89.51566	8.5
90.01615	2.6
90.52882	2.2
90.94814	11.2
91.00500	2.8
91.05441	1.5
91.51893	2.0
91.53744	1.9
91.54282	8.9
92.01093	1.9
92.02633	2.2
93.01878	2.0
93.53466	4.7
95.01936	10.6
95.04983	1.2
95.06067	2.0
95.53206	2.6
96.02021	1.5
96.04479	2.3
96.05618	3.4
96.08109	5.6
97.02908	5.6
97.03986	2.5
97.06466	2.3
97.07635	1.5
97.53709	2.2
98.02194	1.1
98.03493	1.4
98.52667	1.5
99.04449	3.5
99.53463	4.4
100.02473	67.0
100.52438	10.3
100.54813	2.4
101.00863	21.3
101.01620	13.7
101.02527	8.5
102.00966	1.8
102.02341	18.0
102.52472	2.8
103.00607	3.4
103.02415	9.7
104.02517	1.3
105.00373	10.3
105.03426	1.3
106.00419	1.3
107.00098	1.3
108.95850	4.3
109.02866	3.0
109.52934	2.1
110.02235	2.4
111.02917	40.6
111.52894	5.3
112.02685	1.8
112.52417	5.0
113.00856	7.2
113.53184	2.8
113.96402	2.1
114.00948	1.5
114.02706	3.2
114.04018	3.0
114.05530	5.8
114.06631	17.1
114.09156	33.2
114.10272	4.0
115.01199	6.3
115.02409	13.3
115.03918	7.4
115.05025	1.3
116.02507	1.4
118.01144	7.0
118.03509	61.1
119.01910	100.0
119.03599	9.6
120.01985	14.8
120.03271	12.6
120.53987	1.7
121.01646	13.7
121.02831	6.6
121.03578	8.5
121.08421	1.0
122.03577	3.0
122.53708	3.7
123.01401	5.9
123.04043	4.0
124.02454	3.0
125.02551	1.3
125.99269	1.2
126.49250	6.9
126.99084	4.8
127.02396	1.9
128.01929	2.9
129.03963	2.9
131.01895	70.3
131.97392	2.1
131.99710	1.6
132.01959	11.1
132.05051	41.5
133.01666	9.0
133.03439	21.3
134.03563	2.1
134.99680	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
56.05022	1.0
59.04998	15.9
65.03938	1.7
69.03424	7.6
69.07062	1.9
70.06590	10.0
71.52097	1.1
72.93784	1.5
73.02892	2.1
73.93816	1.8
74.26612	0.9
74.93812	2.5
85.02946	0.8
87.04463	10.8
87.06378	0.8
89.03911	5.2
90.94847	1.0
91.56986	0.8
92.94838	0.9
97.02896	1.7
115.03929	41.4
115.05444	100.0
115.09487	3.4
116.05659	1.4
116.06217	3.7
116.07037	1.7
134.13518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
56.46829	0.6
59.04994	6.6
60.87789	0.6
65.03921	1.3
69.03405	2.0
70.06592	3.7
70.44257	1.3
70.44625	1.3
73.02926	0.7
73.07657	0.8
74.93800	3.7
77.69654	0.7
78.03746	0.7
87.04462	3.2
89.03879	3.7
92.94878	1.1
115.03947	14.9
115.05439	100.0
115.09472	1.3
116.06211	5.0
117.01737	0.7
122.22159	0.7
128.60434	0.7
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-2-Hexenoic acid
Peak:m/z	Relative Intensity
53.00300	0.9
53.03942	3.2
54.03465	2.0
55.01867	10.4
55.05505	10.6
56.03769	5.9
56.05030	16.1
56.80062	0.5
56.96551	1.5
57.03432	12.3
57.04553	3.6
57.04977	0.5
57.07078	0.6
57.93561	3.3
58.02957	2.9
58.06590	1.7
59.03739	13.6
59.04992	18.2
59.06121	3.5
60.04527	4.0
67.02989	0.7
67.05499	7.5
68.05014	1.8
68.99791	0.8
69.03425	9.7
69.04547	4.2
69.07059	100.0
70.02939	2.6
70.05330	0.8
70.06584	22.2
70.07383	3.7
71.01335	0.8
71.03725	0.5
71.04986	1.9
71.06081	0.9
71.52509	0.5
72.04499	1.7
72.08146	5.7
72.93787	4.7
73.02908	2.7
73.04037	1.1
73.06548	21.9
73.07665	13.0
73.93812	3.0
74.02418	1.0
74.04815	2.2
74.06075	6.6
74.09695	0.6
74.93819	26.4
75.04498	1.1
75.05151	1.8
75.05602	1.5
79.05482	16.5
80.05016	1.6
80.05830	1.5
81.03416	0.6
82.05312	6.0
83.01334	0.7
83.06088	0.7
84.05597	0.6
85.02911	1.5
85.04015	2.6
85.07676	0.8
86.06078	1.5
87.00791	3.1
87.04458	13.1
87.05573	2.9
87.09223	1.3
88.04024	0.8
88.07623	1.3
89.03900	1.0
90.94822	1.3
91.94862	0.9
92.94851	13.1
95.04973	1.8
97.02913	3.1
97.04042	2.5
97.06519	47.9
97.07639	4.2
97.08453	0.9
98.02413	0.8
98.04801	3.2
98.06049	4.6
98.06795	1.1
98.09686	1.2
99.05569	2.0
99.07965	1.0
108.95854	0.6
110.95905	2.5
115.03918	30.3
115.05433	8.7
115.06889	1.0
115.07627	4.3
115.08682	6.1
115.09500	4.9
115.44978	0.6
115.96413	3.8
116.04303	0.8
116.06364	0.7
116.07043	2.6
116.08192	3.1
116.97205	1.7
133.97447	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	1153.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03400	1.5
85.02870	0.3
89.03891	1.1
91.05462	0.4
93.03383	0.5
95.04971	0.9
102.30878	0.2
103.05453	0.5
105.03323	0.4
107.04951	1.5
109.02854	1.1
111.00785	1.9
111.04430	3.1
115.05438	1.0
117.03347	0.7
117.06991	0.3
119.04919	0.6
119.08609	0.2
121.02856	1.4
123.04412	13.4
127.03899	13.1
127.04626	0.2
128.04227	0.2
128.06186	0.2
129.06998	0.6
131.04881	1.1
135.04393	14.5
136.04718	0.3
136.39346	0.2
137.02324	10.2
137.03354	0.6
139.03880	11.0
139.05492	0.4
141.01817	0.3
141.06979	0.4
143.04903	0.6
145.02817	0.5
145.06459	0.7
147.04390	2.8
149.02321	8.3
149.05949	0.6
150.03087	0.2
151.03873	4.1
153.01808	4.6
153.06999	0.3
155.03368	1.7
155.04877	1.0
157.06506	1.0
159.04413	1.4
160.05238	0.2
161.02312	0.3
161.05975	1.8
163.03882	15.6
165.01785	0.4
165.05458	0.5
167.03366	1.3
167.04887	0.5
169.06493	0.6
171.04428	0.6
173.02345	0.2
173.05940	2.0
175.03889	2.2
175.07396	0.3
177.01874	0.4
177.05438	1.3
179.03369	2.0
181.06467	0.5
183.04327	0.9
185.05946	2.5
187.03876	2.5
187.07602	0.2
189.05420	1.4
191.03377	2.0
191.07031	0.3
193.04909	0.5
197.05959	1.8
199.03870	1.3
199.07602	0.3
200.04562	0.3
201.03535	0.3
201.05431	4.0
203.03365	5.3
203.06995	0.9
204.03809	0.3
205.04903	0.9
207.02844	0.5
207.06435	0.4
209.05995	0.3
211.03847	0.6
213.05424	4.2
214.05992	0.2
215.03416	0.8
215.07004	0.8
217.04901	1.2
219.02882	0.4
219.06422	1.0
221.04422	0.5
225.05440	1.0
227.03293	1.0
227.06877	0.4
229.04921	4.6
231.02794	0.5
231.06483	8.2
232.06897	0.2
233.04411	0.8
237.05409	0.8
239.03368	0.3
241.04915	2.6
242.05621	0.3
243.02943	0.3
243.06320	1.2
245.04414	6.8
247.05991	22.3
248.06363	0.5
249.05637	0.3
252.04245	0.2
253.04834	1.4
255.02701	0.3
255.06326	1.5
257.04410	11.0
258.05215	2.5
259.05969	10.8
260.06363	0.6
261.07516	1.2
263.05536	0.2
265.04962	0.8
266.05841	0.2
267.06412	0.5
268.03552	0.3
269.04422	5.0
270.05121	0.7
271.05942	7.8
272.06229	0.3
273.03934	0.9
273.07339	1.0
275.05432	1.4
277.04822	0.3
277.08435	0.3
279.06494	0.6
281.04373	1.8
282.04916	0.4
283.02625	0.3
283.05933	4.7
285.03918	2.0
285.07193	0.3
286.04202	0.4
287.05453	100.0
288.05740	3.5
289.07013	7.4
290.07318	0.2
293.04385	0.8
293.07901	0.3
295.02737	0.2
295.05969	0.8
297.04095	1.1
297.07251	0.3
298.04666	0.2
299.05463	5.9
300.05902	0.2
301.06992	4.1
303.05478	0.3
303.08826	0.3
305.04535	0.2
305.08054	0.3
307.05954	0.7
309.03879	1.1
309.07474	0.4
310.04816	0.2
311.05502	2.2
313.03549	0.3
313.07144	0.7
313.23480	0.2
315.05093	0.5
317.07224	0.4
319.05923	0.6
321.04086	0.4
321.07635	0.6
323.05505	1.2
325.06870	0.3
327.05130	0.9
329.06366	0.8
331.05576	0.3
333.07379	0.8
335.05603	0.8
335.08929	0.2
337.06909	0.7
339.04819	0.8
339.08676	0.2
341.06839	0.3
345.07455	0.7
347.05515	0.6
348.06165	0.4
349.07001	0.7
351.04898	1.1
351.08572	0.3
353.06750	0.3
357.07306	0.3
359.05402	0.3
361.06998	2.0
363.04871	0.6
363.08704	0.5
365.06369	1.5
365.10208	0.2
367.08099	0.3
373.06854	0.9
375.04688	0.4
375.08740	0.7
376.05676	0.2
377.06470	2.1
379.08133	2.4
381.09985	0.3
383.07852	0.2
385.07095	0.6
387.04562	0.4
387.08911	0.4
388.05389	0.2
389.06454	2.4
390.07040	0.4
391.08182	1.9
393.05771	1.8
394.06296	0.4
395.07599	1.7
397.07816	0.2
401.06329	0.9
403.08249	1.2
405.05820	2.3
406.06375	0.3
407.07562	6.9
408.07953	0.3
409.09140	5.0
410.09048	0.3
411.10803	2.6
413.08746	3.3
414.08456	0.4
415.08273	0.4
417.05893	1.8
418.06363	0.4
419.07581	2.4
421.09436	1.4
423.06879	0.3
425.08569	5.3
426.08804	0.3
427.09274	0.3
428.52576	0.2
429.05832	0.6
431.07553	1.8
433.09161	0.7
435.06604	1.9
437.08691	1.5
443.07495	0.4
447.06943	1.3
449.08621	3.6
449.14694	0.2
451.10196	0.9
453.11499	0.7
455.09003	0.4
459.06934	0.4
461.08740	0.6
467.09613	0.5
481.08917	0.3
486.25195	0.2
491.08420	0.3
497.08542	0.4
511.09741	0.3
513.07568	0.4
515.09564	0.7
525.08044	1.0
527.09393	0.8
529.11029	0.6
531.08862	0.4
533.10724	12.0
534.10938	0.7
537.07947	0.3
539.09900	0.8
541.11053	0.7
543.08978	1.7
545.10687	1.1
547.12115	0.3
549.09680	0.4
551.09515	0.4
553.09027	0.2
555.08948	0.7
557.10760	3.5
558.11133	0.3
559.12268	0.8
561.09943	1.4
567.09186	0.7
569.10681	1.8
571.12292	0.3
573.10199	1.5
575.11743	9.9
576.11945	0.9
577.13678	0.3
581.10791	0.4
585.09949	0.7
587.11591	2.4
597.10181	0.2
599.11835	0.4
611.11273	0.2
617.12665	1.4
633.09583	0.2
653.12769	0.4
657.09430	0.2
665.12610	0.3
669.11951	0.2
675.10840	0.7
677.12415	0.7
679.10706	0.3
693.12292	4.2
694.12726	0.4
695.13849	10.3
696.13629	1.0
697.14941	0.6
705.11633	0.5
707.13611	0.4
711.13312	3.9
712.13947	0.4
713.14917	9.0
714.15094	0.9
719.13580	0.9
723.13104	0.2
725.14648	0.3
737.15027	1.4
739.16449	1.5
755.15637	1.0
803.14960	0.4
813.13519	0.5
815.15009	0.4
821.16528	1.4
827.15436	0.5
831.15308	1.6
845.16675	0.4
847.18597	0.5
857.17047	0.3
863.17944	0.9
865.18774	0.7
965.17560	0.3
983.19830	1.7
984.19196	0.5
985.20996	0.3
1001.19745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1153.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03419	1.9
85.02910	0.3
89.03912	2.0
91.05466	0.7
93.03374	0.7
95.04953	1.6
97.02900	0.3
100.98346	0.2
103.05433	0.9
105.03376	0.7
107.01302	0.4
107.04942	2.7
109.02859	1.9
111.00777	2.3
111.04435	4.0
115.05440	1.1
117.03328	1.0
119.04922	0.9
121.02841	2.1
123.04417	19.0
124.04730	0.3
127.03905	19.2
128.06224	0.2
129.06993	0.8
131.04913	1.9
135.04399	20.5
137.02332	13.4
137.03386	0.8
137.05917	0.7
138.02690	0.3
139.03891	20.4
140.04260	0.4
141.01830	0.3
141.06972	0.7
143.04895	1.0
145.02821	0.7
145.06471	1.5
147.04381	4.0
149.01135	0.5
149.02324	8.2
149.05934	0.8
150.03069	0.4
151.03886	6.0
153.01819	4.2
153.05516	0.2
153.06996	0.6
155.03499	1.7
155.04713	1.4
155.05971	0.5
157.06520	1.1
159.04408	2.1
161.02296	0.8
161.05966	2.7
163.03886	21.1
164.04291	0.4
165.01753	0.4
165.05426	1.0
167.03380	1.4
167.04721	0.4
169.05136	0.2
169.06425	1.2
171.04431	0.9
173.05957	2.6
175.03888	3.8
175.07565	0.6
177.01848	0.6
177.05441	2.3
179.03363	2.8
181.05031	0.3
181.06473	1.1
183.03024	0.3
183.04413	1.7
185.05951	3.0
187.03841	3.8
187.05261	0.3
187.07497	0.4
189.01775	0.6
189.05418	2.6
191.03374	2.9
191.06975	0.4
193.04909	1.0
195.04424	0.4
195.08241	0.3
197.05957	2.3
199.03889	1.4
199.07559	0.4
200.04671	0.3
201.05437	5.0
203.03384	7.8
203.06990	1.3
205.04965	1.0
207.02849	0.9
207.06573	0.6
209.05937	0.7
211.03905	0.8
213.05467	4.8
215.03340	1.1
215.07014	1.2
217.04932	1.6
219.06464	1.3
221.04434	1.1
223.02296	1.0
225.05450	1.0
227.03395	1.3
227.07022	0.9
229.04941	7.0
229.07271	0.3
230.05435	0.4
231.02937	0.5
231.06476	8.1
232.06799	0.3
233.04407	1.3
235.02411	0.3
237.05478	1.2
239.03203	0.4
239.06975	0.5
241.04919	3.3
242.05617	0.5
243.02811	0.4
243.06422	2.3
245.04427	12.3
246.04822	0.3
247.06000	26.8
248.06319	0.8
249.05583	0.2
251.07211	0.4
253.04903	2.0
255.02803	0.5
255.06377	2.4
257.04419	22.6
258.05145	3.4
259.05972	11.7
261.07593	1.6
263.07306	0.3
265.04907	1.2
266.05789	0.5
267.02963	0.3
267.06339	0.7
268.03558	0.3
269.04410	5.6
270.04968	0.5
271.05936	9.0
272.06561	0.5
273.04102	1.3
273.07483	1.7
274.04962	0.3
275.05408	2.5
277.08417	0.5
279.06442	0.6
281.04526	2.6
281.07690	0.5
283.02557	0.5
283.05945	7.2
284.06372	0.5
285.03876	2.8
285.07574	0.8
286.04709	1.1
287.05463	100.0
288.05777	3.3
289.07050	7.8
291.08850	0.5
293.04446	0.7
293.08072	0.4
295.06024	1.6
297.03867	1.4
297.07617	0.8
299.05469	6.2
300.06168	1.4
301.03516	0.5
301.07028	10.4
303.08627	0.9
305.04630	0.3
305.08029	0.4
307.05988	0.8
309.03934	0.8
309.07568	0.9
311.05453	3.2
313.07092	0.9
315.05157	0.5
317.07419	0.4
319.05969	0.6
321.03854	0.7
321.07663	0.7
323.05637	1.2
323.08774	0.3
325.06952	0.4
327.05136	0.7
329.06491	7.8
333.07672	0.9
335.05478	1.1
335.09039	0.3
337.03546	0.3
337.07022	1.5
339.04831	2.0
343.05759	0.4
345.07486	0.6
347.05417	0.7
347.09171	0.4
348.06567	0.2
349.06955	1.3
351.04922	1.1
351.08755	0.5
353.06506	0.6
357.07571	0.5
359.05466	0.5
360.05975	0.3
361.06973	3.1
363.04712	0.6
363.08600	0.9
365.06406	1.6
367.07858	0.7
371.05313	0.3
373.07120	1.4
375.04645	0.4
375.08804	0.6
376.05893	0.4
377.06467	3.1
379.08133	3.0
385.06973	0.7
389.06500	3.3
390.07358	0.3
391.08044	2.2
393.05896	1.8
395.07538	3.2
397.08762	0.2
399.04855	0.5
401.06448	1.1
403.08395	2.0
405.05972	5.0
405.10788	0.4
406.06393	0.4
407.07593	10.9
408.08020	0.6
409.09171	11.7
410.09372	0.3
411.06152	0.4
411.10843	6.0
413.08710	5.9
415.08124	0.3
417.05899	2.5
419.07663	2.6
421.09229	2.1
423.06995	3.2
425.08566	3.2
427.09641	0.9
429.05862	0.6
431.07544	3.4
433.09384	0.5
435.06598	3.7
435.12372	0.4
437.08804	1.5
447.06970	1.8
449.08618	6.5
451.09930	0.7
453.11935	2.2
455.09238	1.0
459.06946	0.4
484.07794	0.4
515.09802	1.0
525.07922	1.3
529.10944	0.9
531.08881	0.5
533.10760	24.7
534.10944	1.0
539.09448	0.7
541.11047	0.8
543.09027	3.7
545.10529	1.1
549.09827	1.0
551.09558	0.3
555.09100	0.4
557.10748	6.2
559.11945	0.5
561.10138	2.1
567.09259	0.6
569.10760	3.4
573.10254	2.7
575.11768	11.9
576.11865	0.7
577.13312	0.5
579.14734	0.3
581.11005	0.3
585.09998	0.9
587.11853	4.2
599.11603	0.8
606.98492	0.3
617.11951	0.5
651.11487	2.4
653.12756	1.1
659.11566	0.4
661.09821	0.6
669.12012	0.8
677.13025	1.7
679.10596	0.7
681.12335	0.4
693.12628	1.9
695.13892	17.8
696.13818	0.9
699.16785	0.4
701.13531	0.4
707.13367	0.8
711.13177	1.2
713.14880	16.5
714.14917	0.8
719.13184	0.8
725.15125	0.5
737.14362	1.4
739.16364	3.8
740.17072	0.4
755.16168	1.2
803.15271	0.6
813.13916	2.0
815.16168	1.2
821.17511	1.1
831.15442	2.8
847.18335	0.5
865.19275	1.9
875.16626	0.4
965.18298	0.8
983.20306	3.3
985.22034	2.2
1001.21313	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1153.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
90.79697	0.2
92.44521	0.2
128.84456	0.2
139.03831	0.6
145.43242	0.2
163.07516	0.2
195.10133	0.2
231.56001	0.2
316.00116	0.2
360.56677	0.2
396.12320	0.7
397.12793	1.3
398.13654	0.9
399.14502	0.4
400.15106	0.2
409.13303	0.4
410.13690	1.8
411.14496	3.5
412.15222	3.1
413.15930	1.6
423.10464	0.6
423.14716	1.0
424.11185	1.1
424.15384	1.6
425.16144	10.4
426.16837	6.5
427.17380	1.9
428.18640	1.0
437.12042	0.7
437.16663	0.6
438.13049	1.9
438.17371	1.1
439.13376	9.6
440.13831	1.2
440.19141	3.7
441.19202	28.9
442.19528	3.4
443.19147	0.9
450.13016	0.3
451.13937	0.9
452.13971	3.0
453.15198	12.0
454.15778	4.3
455.15561	0.8
455.21259	0.3
457.15277	0.6
458.15695	0.7
459.20682	0.3
463.13788	1.1
464.14429	0.5
465.15753	0.8
466.12598	1.0
466.17511	0.5
467.17142	24.1
468.17783	11.0
469.18756	12.9
470.19043	1.6
471.17206	0.7
472.17590	0.3
478.16095	0.6
479.17450	0.4
480.15259	0.6
480.16611	0.6
481.14774	16.3
482.15347	4.2
483.15909	0.8
484.16861	0.4
485.18707	0.9
486.19174	0.3
487.19955	0.5
493.15240	0.2
494.16827	0.6
495.16315	7.7
496.17081	13.3
497.17886	3.7
498.18903	0.9
499.16171	0.7
499.20352	0.4
500.20148	0.4
508.19437	0.6
509.18265	2.5
510.19083	0.6
512.20691	0.8
513.21942	0.4
514.21594	1.4
520.17139	0.2
522.17584	1.0
523.19788	1.7
524.20215	0.3
525.18347	0.3
526.18542	0.2
527.23358	2.5
528.19562	0.3
528.22388	0.3
536.18872	0.3
537.19269	0.8
538.19702	0.2
539.18756	0.4
540.20056	0.5
541.20782	0.2
542.21875	0.7
545.24054	0.6
551.19733	0.3
555.22363	20.2
556.22717	2.4
557.22894	1.0
568.19482	0.5
573.23462	0.4
583.21814	100.0
584.22058	11.1
585.21906	4.1
586.21094	0.5
587.25024	1.0
599.21210	0.3
600.21704	0.4
611.21167	1.9
612.20642	0.2
614.23785	0.6
615.24463	6.9
616.24744	0.4
617.24261	0.3
642.23138	7.4
643.23846	77.3
644.24109	9.0
645.24084	5.6
1052.23157	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1176.594
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04961	1.7
83.08578	0.9
85.02905	1.1
91.05470	5.3
93.03378	1.1
93.07031	6.0
95.04952	1.8
95.08591	5.5
97.02882	1.6
97.06549	0.4
103.05426	0.8
105.07008	3.1
107.04954	1.2
107.08579	3.2
109.02838	0.4
109.06546	0.5
109.10130	2.4
111.04424	6.9
115.05450	1.2
117.07009	1.6
119.04967	0.5
119.08552	2.1
121.02839	1.4
121.06461	0.6
121.10141	2.5
123.04425	4.0
123.11724	0.5
127.03904	1.2
128.06224	0.5
129.07027	0.7
131.04881	0.9
131.08542	1.4
133.06470	0.4
133.10127	1.8
135.04393	2.8
135.08076	0.5
135.11662	1.7
137.05968	0.9
137.09657	0.4
139.03885	100.0
140.04250	2.2
141.05469	0.8
141.06955	1.3
145.06461	1.0
145.10112	0.9
147.04375	1.3
147.11644	1.2
149.05946	2.8
149.13261	0.5
151.03879	10.7
152.06215	0.6
153.05496	1.0
153.07002	1.1
155.08591	0.4
157.06448	0.5
159.04370	0.8
161.05975	5.4
161.13258	0.9
162.06372	0.4
163.03888	33.8
164.04272	0.8
165.05484	1.5
165.06851	0.8
167.08530	0.6
169.06448	0.7
171.90758	0.5
173.05968	9.1
173.13283	1.1
175.03943	1.0
175.07506	1.7
175.14879	0.5
177.05437	6.2
179.03355	1.8
181.04958	6.3
181.06482	0.9
183.08022	0.7
185.05977	1.2
187.03906	2.3
187.07536	5.7
187.14960	0.5
189.05501	2.4
191.07045	0.5
193.04887	1.0
195.08051	1.6
197.05997	1.6
198.06630	0.5
199.07489	4.8
200.04639	0.5
201.05487	3.3
201.09042	2.3
203.03346	0.5
203.07022	0.9
205.04939	15.1
206.05397	0.6
209.06145	0.5
211.07555	2.8
212.08246	0.7
213.05373	2.1
213.09018	2.2
215.06978	1.3
217.04971	1.5
217.08650	0.5
219.06369	0.7
221.09576	0.5
223.07565	1.8
223.11092	0.4
225.09090	1.7
226.06163	0.5
227.06949	1.1
227.10693	0.8
229.05014	3.0
235.05867	3.2
237.09091	0.9
239.07191	0.5
239.10600	0.5
247.05939	3.3
249.09196	0.5
251.10837	0.6
251.14212	0.5
253.05051	0.5
259.20529	1.1
261.09061	0.6
261.22150	2.1
265.07059	3.1
265.12216	0.5
267.13864	1.1
269.15366	0.5
271.06003	1.3
279.13882	0.7
281.15317	0.8
282.05087	0.5
283.05273	0.6
283.08139	9.7
285.14789	0.5
287.16486	0.8
293.15344	0.6
295.06046	1.9
296.06802	0.4
297.14767	1.2
299.16516	0.6
301.09158	19.4
302.09454	0.6
303.06552	0.5
307.08368	0.6
308.06757	1.2
309.07629	1.0
309.14883	0.7
311.16257	0.6
313.07004	1.3
315.15869	5.0
321.07571	1.0
321.14856	0.8
323.16309	0.6
325.09610	0.5
325.14365	0.8
327.15900	3.3
333.24179	0.8
335.09088	0.7
335.25766	19.6
336.25937	0.8
339.15808	3.0
341.17599	0.6
353.26785	0.6
359.18478	1.6
363.15833	0.6
371.18582	0.5
389.19397	2.4
399.25363	0.6
401.19534	1.7
401.38455	0.5
409.10553	0.4
413.19617	0.8
421.16571	2.9
447.17969	5.7
463.14377	1.1
465.19058	3.6
471.18268	0.5
513.28699	0.4
521.21753	1.2
531.20361	0.5
539.22748	2.8
549.29480	0.5
557.23767	0.6
581.35291	0.6
599.37439	0.7
619.39789	1.1
637.39911	0.5
647.39038	0.8
649.40967	5.7
650.41046	0.6
661.41010	3.4
673.40533	2.4
677.39929	1.4
679.41895	2.5
691.41595	2.4
755.40833	0.6
773.42474	2.6
781.42499	0.9
799.44080	8.3
800.42987	0.6
817.45068	6.1
818.44409	0.9
823.43695	1.2
841.44666	0.8
865.44318	0.8
925.46631	0.6
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
51.02364	9.4
53.03711	4.2
53.03944	67.3
55.01865	4.1
57.43841	2.1
65.03928	3.3
69.29848	25.8
70.35578	2.3
72.08154	2.7
76.93352	2.9
77.03917	10.6
81.03408	6.1
89.03878	2.9
91.05475	67.6
95.04961	100.0
98.21449	4.7
99.59091	2.7
103.05447	4.5
104.06227	3.3
105.04510	28.3
116.05766	7.0
117.06973	12.4
118.04191	3.4
118.06532	93.4
118.07263	4.0
119.04990	3.0
119.08567	18.7
125.56258	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	118.0653
Annotation	3H-Indole
Peak:m/z	Relative Intensity
51.02369	6.9
53.03946	43.1
55.01861	3.3
55.05488	1.7
65.03919	5.2
68.83964	1.6
70.16177	4.5
70.16585	3.6
76.93369	3.0
77.03915	7.2
79.05475	6.5
81.03400	5.4
85.78463	1.4
91.05473	100.0
93.07035	4.5
95.04959	71.2
96.05282	1.9
103.05463	9.0
104.06227	11.3
105.04504	22.2
115.05458	4.7
117.07015	22.2
118.06533	58.7
118.08643	3.7
119.04900	2.6
119.06845	3.1
119.08574	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01592	2.2
51.02377	8.4
53.03941	63.8
54.04281	1.1
55.01872	4.2
59.06112	0.9
65.03923	3.0
70.56244	2.2
76.93362	1.0
77.03922	11.6
78.43351	0.7
79.05479	1.8
81.03410	7.1
91.05471	33.8
93.07029	1.2
95.04958	100.0
96.05301	2.9
103.05456	2.3
104.06229	2.6
105.04504	29.1
115.05421	1.5
117.06995	7.7
118.06528	89.4
119.04929	3.2
119.06113	0.7
119.06839	3.0
119.08563	21.9
132.15381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	5.7
53.03944	64.1
55.01865	4.8
64.87928	2.0
65.03922	10.4
76.93405	2.4
77.03915	10.8
81.03419	6.0
84.92550	2.0
88.47817	2.2
91.05478	74.5
91.69304	1.9
95.04962	100.0
96.05282	2.3
98.21506	4.4
103.84898	1.8
105.04514	26.8
117.07040	2.1
118.06536	81.1
119.04939	20.1
119.06878	4.6
119.08543	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.02377	10.0
51.17969	2.7
53.03707	4.4
53.03942	65.9
55.01845	3.1
59.07383	3.6
62.32844	2.9
70.84293	7.0
77.03910	12.5
79.05499	3.4
81.03378	5.9
86.35771	2.6
91.05468	42.3
95.04959	100.0
96.05343	4.1
103.05479	4.2
105.04506	24.9
117.07033	6.6
118.06535	79.3
118.08665	4.9
119.08582	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.9
56.96542	9.6
59.06100	8.6
61.99750	4.7
67.05489	19.3
68.90997	4.4
69.03421	31.3
71.03996	9.1
71.04376	5.0
73.29874	5.4
79.05448	4.2
82.01405	10.3
91.05477	29.3
100.02470	35.9
101.00862	15.6
103.02429	21.0
107.05247	17.2
116.05750	18.0
118.03535	27.5
119.01916	100.0
119.03564	7.2
120.01950	4.8
121.03448	13.5
133.03441	10.3
137.02956	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15523	1.3
53.03925	3.1
55.01862	5.9
55.05487	2.9
56.05014	3.2
56.96559	45.0
57.03432	7.0
58.06583	1.4
58.99834	1.5
59.04987	1.8
59.05878	1.0
59.06121	14.6
59.52175	2.2
59.76166	1.0
60.04509	2.9
61.02917	4.3
62.06065	1.0
65.03936	7.4
67.05499	8.0
68.02611	1.6
68.99770	1.6
69.03420	16.1
70.06577	1.4
70.98100	2.1
71.01358	2.0
71.02960	3.0
71.04971	3.1
71.51846	1.6
71.95257	2.2
72.04514	1.9
72.08161	1.8
73.02898	4.8
74.06073	9.3
74.67132	1.0
74.97565	1.3
75.01033	1.4
76.07626	1.2
77.00846	3.6
78.52945	3.1
79.05478	1.9
80.06269	3.0
81.03398	4.1
81.07069	2.0
82.01431	4.2
82.99895	1.2
83.00758	4.1
83.04958	2.0
84.08125	1.3
85.02882	3.5
85.06551	1.3
85.53740	1.1
86.01307	1.2
86.52670	1.6
87.00813	5.8
87.05577	3.7
87.53468	2.3
89.00773	3.4
89.02367	1.2
90.03703	1.2
91.00522	1.6
91.02354	1.3
91.05472	66.6
91.53738	1.2
92.01298	1.9
92.02496	1.9
92.04960	1.4
93.01986	1.2
93.07047	1.3
93.53478	1.9
95.00769	1.1
95.01321	1.9
95.04929	1.8
97.02882	2.4
98.01273	4.2
98.97565	7.5
100.02474	25.6
101.00852	11.7
101.02558	3.8
102.02264	3.3
102.05527	2.0
102.09190	3.5
103.02412	8.4
105.00308	1.7
105.02104	1.6
106.01040	1.6
107.05252	6.7
109.02844	1.7
115.02420	3.6
116.05768	4.3
116.98619	6.9
118.01124	1.3
118.03514	23.6
119.01909	100.0
119.03547	17.2
119.04887	8.2
119.06049	4.5
119.08582	6.0
120.02023	4.8
120.03235	3.7
120.05593	2.7
120.08070	3.0
120.10211	2.0
121.03477	5.0
122.03572	1.2
128.02321	2.2
128.98581	2.3
129.03925	2.5
131.01909	4.5
133.03500	5.2
134.99658	3.6
136.02156	1.3
136.04579	1.2
137.02940	62.0
138.03090	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	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02336	0.4
52.46717	0.4
53.03942	1.2
53.60365	0.3
54.04258	0.7
57.81899	0.4
65.03935	18.8
65.82751	0.4
69.33289	0.4
70.17424	1.3
70.91747	0.4
77.03930	0.4
79.05509	0.9
89.03899	0.4
91.05473	100.0
92.04997	0.6
92.05257	0.5
92.05788	3.6
93.07041	0.7
95.04954	0.9
96.05289	1.1
98.20728	0.4
103.05445	1.6
104.06223	1.1
106.04855	0.5
109.06534	0.5
117.07001	3.1
119.04932	27.6
119.05943	0.9
119.06839	1.0
119.08566	8.6
119.09361	0.7
120.04475	0.7
120.05401	1.5
120.08105	0.7
120.08874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03941	0.6
59.06117	8.4
60.04516	1.3
63.94956	0.4
65.03932	13.4
70.81747	1.0
70.82092	0.5
79.05485	1.4
87.05577	1.2
91.05469	100.0
92.04963	0.5
92.05804	2.6
93.07043	1.1
95.04981	1.0
96.05309	0.6
103.05450	1.8
104.06244	1.2
115.05432	1.1
117.06985	3.9
119.04929	18.0
119.05962	0.8
119.08562	12.1
120.05575	1.2
120.08102	0.8
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
53.03942	0.4
53.47667	0.2
57.01948	0.4
65.03934	20.8
70.70283	0.9
79.05486	0.4
88.00946	0.3
91.05472	100.0
92.04987	0.4
92.05813	3.2
93.07032	0.4
95.04957	0.8
103.05448	0.5
104.06222	1.0
109.06568	0.3
111.04461	0.4
111.65209	0.3
115.05431	0.5
117.07015	1.3
119.04930	31.0
119.08584	5.4
120.04462	0.6
120.05333	1.9
129.04480	0.5
135.59659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03944	0.7
59.06128	2.8
65.03931	17.9
69.39573	4.2
77.03503	0.4
79.05481	2.0
86.26450	0.5
91.05468	100.0
92.05791	3.4
93.07042	1.4
95.04969	1.7
96.05304	1.2
98.20693	0.5
103.05421	3.1
104.06232	2.5
115.05461	1.2
117.07006	5.2
119.04929	25.5
119.05985	1.2
119.06810	0.9
119.08565	20.3
120.04469	1.0
120.05537	1.9
120.08935	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
52.33373	1.1
53.03930	3.7
65.03915	4.1
65.33351	1.0
69.51353	1.0
71.07079	0.9
71.07401	2.2
78.04696	1.4
79.05491	8.0
79.16930	0.9
91.05475	100.0
92.05808	3.0
93.07022	5.7
95.04949	4.4
96.05294	1.1
103.05462	11.1
104.06252	12.7
105.04495	1.4
109.06508	1.4
113.98328	1.1
115.05470	5.8
117.07008	23.7
119.08569	91.1
120.08896	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02382	0.9
53.03955	2.7
54.04271	0.6
65.03932	4.3
65.07464	0.4
67.05463	0.6
70.78788	0.9
70.79127	0.8
78.04711	1.5
79.05488	7.1
91.05476	100.0
92.05004	0.6
92.05821	2.6
93.07036	6.6
95.04976	4.8
96.05340	0.6
102.04689	0.6
103.05457	13.9
104.06245	12.5
105.04523	1.0
109.06520	1.9
115.05443	7.3
117.07012	30.8
118.07339	0.8
119.05001	1.0
119.06088	2.6
119.08573	78.8
120.05566	1.3
120.08154	0.7
120.08865	2.5
121.06522	0.9
131.05997	0.6
133.08937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18859	0.5
53.03944	3.4
65.03932	5.2
65.77124	0.5
67.42228	0.5
69.43760	0.6
70.54641	0.6
70.56219	1.9
77.03925	1.2
78.04708	1.6
79.05483	7.3
85.59855	0.6
91.05474	100.0
92.05003	0.9
92.05798	2.7
93.07030	5.2
95.04958	3.7
97.29897	0.6
102.04725	0.6
103.05456	12.2
104.06243	12.2
105.04505	1.3
109.06514	1.9
115.05442	4.7
117.07007	24.5
119.04980	1.4
119.06063	2.8
119.06839	2.0
119.08569	68.1
120.05597	1.4
120.08906	2.4
121.06464	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03926	3.5
60.17019	1.1
65.03928	4.5
69.76352	6.0
77.03928	1.4
78.04699	1.2
79.05482	7.7
91.05475	100.0
92.05803	2.0
93.07034	5.4
95.04958	4.4
96.05274	1.9
103.05461	13.5
104.06255	16.3
109.06522	1.5
115.05463	9.4
117.07014	25.8
119.04971	1.0
119.08572	90.1
120.08899	3.2
132.06647	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03955	2.9
59.06112	0.6
65.03936	6.6
69.66087	3.1
78.04721	1.2
79.05492	6.5
81.03386	0.6
91.05472	100.0
92.04980	0.5
92.05790	3.1
93.07028	5.9
95.04964	4.2
96.05305	1.2
98.21515	0.6
103.05459	12.3
104.05627	0.7
104.06247	10.1
105.04503	0.9
109.06505	1.6
115.05450	5.8
117.07006	29.3
118.07332	1.3
119.04922	4.9
119.06883	2.3
119.08566	72.1
120.05555	0.9
120.08905	2.7
121.06536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01857	0.8
55.05490	0.8
60.04514	0.8
65.03940	7.4
67.05478	0.7
70.01488	1.7
70.01893	2.3
77.03897	1.0
78.93106	0.9
79.05489	6.2
80.04983	0.8
91.05473	18.4
92.04992	3.0
92.05795	6.1
93.03425	0.8
93.04510	1.2
93.07037	23.0
94.24651	0.7
95.04964	8.0
98.21460	1.1
103.05457	84.8
104.05791	2.2
105.03403	0.9
105.04509	2.9
105.07024	9.3
110.14790	0.6
110.48591	0.9
111.04444	1.9
118.06540	1.9
119.07316	1.0
119.08584	1.3
119.79316	0.7
120.04434	2.3
120.05564	7.1
120.08095	100.0
121.02857	5.1
121.03972	2.0
121.06516	7.7
121.07458	1.0
121.08425	2.8
121.10120	5.9
123.08029	1.4
123.58724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.6
53.03949	3.8
56.05006	0.5
57.70741	0.6
65.03928	0.6
65.39807	0.5
70.65046	1.0
70.65383	0.7
77.03904	1.3
79.05478	1.1
80.05006	0.8
91.05473	12.5
92.05797	0.7
93.07039	16.6
94.02379	0.5
95.04957	6.1
102.04662	0.7
103.05458	92.8
104.05804	3.1
105.04515	1.6
118.06531	1.5
119.07320	1.6
120.05605	1.8
120.08096	100.0
121.06454	0.7
121.08447	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	121.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
54.03453	3.3
55.01870	4.2
55.05486	1.5
58.44744	0.7
64.65675	0.7
65.03933	68.1
66.04255	1.9
67.05476	0.9
68.99761	3.0
69.27431	2.8
69.27855	4.2
71.01342	2.5
77.03918	1.2
78.04703	1.3
79.01831	0.8
79.05487	14.6
80.06273	0.7
81.03392	0.7
81.04542	5.3
82.05312	6.1
82.49393	0.7
83.01321	0.6
91.05471	15.4
92.05817	0.8
93.03392	1.0
93.07035	19.2
93.07624	0.9
95.04963	8.1
95.06062	2.4
100.85369	0.7
103.05476	8.7
105.04484	3.4
105.07018	21.3
106.07858	1.4
109.02829	1.2
111.04425	32.7
119.08573	3.2
121.02850	100.0
121.03957	30.8
121.06481	10.0
121.07449	1.1
121.10130	12.0
122.03143	4.7
122.04323	1.4
122.07134	23.7
122.09644	1.3
123.08054	2.3
133.07616	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02367	4.6
53.03944	25.2
55.01853	4.9
55.05497	5.5
60.35830	1.3
65.03935	100.0
67.05493	2.6
70.77885	3.3
70.78233	2.0
71.78757	1.4
77.03926	6.8
78.04704	17.5
78.22210	1.5
79.05487	38.2
81.03416	2.0
81.07042	2.7
85.73116	1.5
91.05473	98.3
92.05785	3.3
93.03398	10.7
93.07038	75.9
94.07307	2.0
95.04369	2.4
95.04961	38.0
98.03629	2.3
103.05485	9.2
105.04514	10.3
105.07021	38.7
106.04166	3.0
106.07796	3.6
111.04421	10.5
119.08582	6.3
121.02863	71.8
121.03968	13.6
121.06498	54.0
121.10122	25.4
122.03214	4.8
122.06058	2.3
122.06914	2.1
122.09663	2.2
123.08091	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	121.0648
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02376	3.2
52.85470	1.4
53.03941	21.4
53.19594	1.6
55.01871	22.3
63.18222	1.4
65.03934	11.3
66.75105	1.8
69.93748	3.1
69.94165	5.4
77.03912	4.9
78.04708	12.3
79.05460	4.7
81.03399	2.8
91.05472	82.7
92.05816	2.5
93.07042	21.3
95.04961	33.4
98.21463	2.3
103.05465	26.5
103.43663	1.5
105.04483	7.4
105.07030	3.3
106.04158	3.6
108.95726	1.7
116.52069	1.7
121.02859	7.0
121.06490	100.0
121.10115	2.4
122.06920	1.8
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	3-Methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01588	2.5
51.02366	6.5
53.03941	38.7
55.01854	2.5
63.02377	2.3
65.03932	62.7
65.04280	3.0
67.01861	2.5
67.05486	3.0
69.40437	8.1
69.40874	7.7
70.60290	1.7
77.03909	10.7
78.04710	15.7
79.05479	19.6
81.03407	4.6
85.41411	2.0
86.49488	1.6
91.05466	100.0
92.05789	2.7
93.07023	31.7
95.04951	52.2
96.05273	2.2
98.21528	3.1
100.58534	1.9
103.05471	6.6
105.04487	12.6
105.07008	24.3
106.07791	2.5
107.19324	1.7
119.08588	3.3
121.02872	7.6
121.03991	4.3
121.06490	71.8
121.07367	3.5
121.10103	13.0
122.06033	1.9
122.07041	2.9
122.09625	4.2
123.08080	3.3
124.98672	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	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.97293	1.0
51.02358	3.8
53.03943	22.7
55.01873	7.5
55.05502	7.3
57.86651	1.0
63.60431	0.8
65.03931	14.1
67.05493	3.3
67.32995	0.9
69.25494	7.4
69.25912	2.3
70.83150	1.0
77.03922	4.7
78.04709	12.7
79.05480	36.1
80.35114	1.0
81.03408	2.1
81.07047	3.9
91.05472	100.0
92.05788	2.4
93.07033	96.9
94.07366	2.1
95.04961	33.2
100.98333	0.8
103.05455	20.0
105.04507	9.1
105.07016	29.6
106.04169	3.7
106.07806	4.2
111.04425	1.4
119.08578	4.4
121.02874	7.3
121.04011	1.9
121.06493	77.2
121.10122	24.8
122.05988	2.3
123.08044	2.6
133.07590	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01565	1.5
51.02357	6.0
52.34730	1.4
53.03715	1.9
53.03943	28.5
55.01841	1.6
55.05490	5.4
61.40889	1.3
61.60308	1.5
65.03934	54.0
67.01849	2.1
67.05472	3.5
70.31496	4.4
70.31913	2.6
77.03911	8.1
78.04710	18.5
79.05485	24.8
81.03400	2.5
91.05473	100.0
92.05766	3.5
93.07033	53.1
95.04962	41.4
103.05455	8.7
105.04508	11.1
105.07022	30.3
106.04165	1.7
106.07813	3.0
107.07327	1.7
111.04427	2.8
119.08607	4.1
121.02898	6.8
121.04032	1.7
121.06486	54.8
121.09318	2.6
121.10125	19.3
122.06935	1.3
122.09676	2.0
123.08035	4.2
124.47549	1.4
133.07597	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0649
Annotation	3-Methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02374	2.2
53.03939	9.8
54.03474	1.3
55.01863	1.7
65.03933	24.2
66.46249	0.5
67.05517	0.8
69.50529	4.3
76.80660	0.6
77.03918	2.2
78.04701	18.6
79.05061	1.0
79.05482	8.9
81.03409	0.9
81.04536	3.3
82.05309	2.8
91.05472	100.0
92.05782	2.9
93.07041	8.6
94.06576	1.1
95.04378	0.8
95.04966	15.6
95.06046	1.2
103.05458	4.6
105.04506	4.9
105.07018	15.8
106.04172	8.0
106.07812	0.6
111.04417	2.1
119.08578	1.9
121.02856	7.4
121.03970	2.2
121.06492	68.2
121.10122	8.4
122.07151	12.2
122.09659	1.0
123.08039	2.0
133.55547	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03945	11.5
55.05507	8.8
55.15105	0.8
65.03928	3.2
67.05483	2.6
71.24594	2.0
77.03913	1.8
78.04698	1.2
79.05487	36.7
80.05804	1.3
80.06239	1.2
81.03387	1.2
81.07054	5.5
91.05473	47.7
91.52080	1.0
92.05782	1.3
93.07036	100.0
94.07362	3.0
95.04961	15.4
96.10770	0.8
103.05449	7.0
105.04508	3.1
105.07023	36.1
106.07815	2.7
119.08572	6.5
121.02837	1.4
121.06467	1.6
121.10130	25.3
122.10480	1.4
123.08028	3.0
133.07590	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	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02365	3.5
53.03941	21.6
55.01855	1.5
55.05503	8.0
60.78020	0.8
63.02348	1.0
65.03936	27.9
67.01846	1.0
67.05484	2.8
70.77823	1.1
70.78159	1.6
77.03911	6.5
77.19233	0.8
78.04703	8.7
79.05487	40.3
80.05833	1.0
80.06271	1.3
81.03406	3.1
81.07050	5.9
88.25651	0.8
91.05473	89.4
92.05802	3.5
93.07037	100.0
94.06552	0.9
94.07355	3.4
95.04961	34.8
96.05278	1.8
103.05470	10.9
105.03421	0.8
105.04514	10.1
105.07022	40.8
106.04156	2.1
106.07861	4.1
119.08572	6.7
121.02867	4.3
121.03994	0.9
121.06493	36.6
121.07370	1.8
121.10131	25.8
122.06039	1.1
122.06895	2.3
122.10471	1.9
123.08070	4.3
133.07611	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	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.63866	0.6
51.02380	0.8
52.17587	0.6
53.03940	11.1
55.05505	9.3
57.33149	0.6
59.59718	0.6
65.03933	3.7
67.05482	3.6
69.69814	3.9
77.03918	1.4
78.04690	0.9
79.05479	45.0
80.05818	1.4
80.06268	1.4
81.03407	1.2
81.07043	4.2
91.05468	46.5
92.05824	1.4
93.07028	100.0
94.06557	1.0
94.07368	5.2
95.04959	17.9
103.05453	11.0
105.04511	6.0
105.07015	50.4
106.07220	1.0
106.07915	3.5
118.06540	1.0
119.08568	9.6
121.02844	2.5
121.03992	0.7
121.06496	5.4
121.10120	29.1
122.05962	1.3
122.07092	1.2
122.09629	2.0
122.10423	1.3
123.08052	3.7
129.73973	0.8
133.07588	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	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01589	0.8
51.02373	2.0
51.89358	0.6
53.03944	17.9
55.01867	5.0
55.05504	8.6
60.45935	0.7
60.97799	0.8
61.85184	0.7
65.03934	8.3
67.05494	2.5
71.04094	0.8
71.52652	0.8
77.03919	2.9
78.04700	9.6
79.05483	36.9
80.05831	0.8
80.06264	1.2
81.03406	1.6
81.07051	4.8
91.05472	73.0
91.31450	0.7
92.05801	2.3
93.07034	100.0
94.04175	0.9
94.07357	4.3
95.04958	28.4
98.18484	0.7
103.05466	14.4
104.05777	0.7
105.03423	0.9
105.04500	6.9
105.07018	35.4
106.04170	3.3
106.07790	2.6
107.04937	1.3
111.04450	0.8
119.08577	5.5
121.02859	4.9
121.06490	42.7
121.09338	0.9
121.10125	25.8
122.03608	0.8
122.06045	1.4
122.06865	1.6
122.09650	2.2
122.10487	1.1
123.08060	3.4
133.07628	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.85215	0.6
51.02377	1.5
52.26675	0.6
53.03945	12.3
55.01889	1.5
55.05507	8.5
63.79050	0.6
63.79387	0.6
65.03940	6.3
67.05502	2.4
70.77460	1.7
70.82378	0.5
77.03930	2.0
77.75710	0.6
78.04698	1.2
79.05489	39.5
80.05819	1.2
80.06257	1.2
81.03412	1.7
81.07050	5.2
91.05476	49.1
92.05797	1.5
93.07037	100.0
94.06560	0.8
94.07365	3.5
95.04959	17.2
103.05467	7.9
104.05806	0.5
105.04494	4.9
105.07025	31.3
106.07882	3.2
107.07339	1.2
111.04439	1.6
116.73531	0.6
119.08556	5.6
121.02856	5.5
121.03961	1.8
121.06511	8.0
121.10130	24.6
122.06023	2.2
122.07032	1.7
122.09633	2.0
122.10471	1.0
123.08089	3.4
130.42064	0.5
131.17563	0.6
133.07573	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02366	1.9
51.43562	0.8
53.03944	11.8
54.03475	4.0
54.19138	0.7
54.74493	0.7
55.01867	2.4
55.05510	4.7
65.03936	21.8
66.04295	0.9
67.05497	2.1
68.05029	1.4
69.24529	8.6
70.06590	0.9
77.03909	2.2
78.04729	1.2
79.05487	56.2
80.04981	0.8
80.05829	1.5
80.06260	0.7
81.03423	2.0
81.04526	6.8
81.07059	2.4
82.05316	9.5
91.05476	43.1
92.05801	1.8
93.07035	63.0
94.04211	1.2
94.06566	1.7
94.07376	2.7
95.04962	19.1
95.06048	3.7
96.05293	0.9
98.20695	1.4
103.05463	24.7
104.05775	1.9
105.04516	7.2
105.07024	100.0
106.07305	4.0
106.07815	5.8
107.04875	0.8
111.04431	8.8
115.25529	0.7
119.08569	14.9
120.37188	0.7
121.02862	26.5
121.03968	9.5
121.06503	14.8
121.10135	59.8
122.03216	1.3
122.07145	41.6
122.09654	1.6
122.10470	3.3
123.08070	10.7
133.07623	4.5
138.06708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02368	1.9
53.03712	1.4
53.03943	14.4
54.03455	2.7
55.05502	5.6
65.03943	8.5
67.05486	2.8
68.04999	1.4
69.35072	6.8
69.35492	3.1
77.03923	3.2
79.05486	60.4
80.05824	2.0
81.03403	1.4
81.04523	5.5
81.07037	2.8
82.05312	4.0
85.41337	1.0
86.40483	1.0
91.05473	44.9
92.05805	1.9
93.07037	74.2
94.07365	2.9
95.04958	22.1
95.06070	1.6
103.05470	24.3
104.05774	1.2
105.04520	5.6
105.07024	100.0
106.07266	3.7
106.07811	6.0
111.04421	3.8
119.08573	16.7
121.02854	9.0
121.03964	4.5
121.06490	12.3
121.10134	57.6
122.03178	1.0
122.07138	25.3
122.09650	1.7
122.10483	3.5
123.08053	13.0
133.07610	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	121.1012
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02364	1.5
53.03937	12.3
54.03463	4.5
54.63633	0.9
55.01846	2.8
55.05494	3.1
65.03931	12.7
67.05490	1.1
69.60438	2.0
69.60860	5.4
70.06577	1.0
77.03907	2.3
78.04698	1.4
79.05482	43.8
81.04518	6.5
82.05318	7.2
91.05465	30.8
92.05783	1.8
93.07029	39.1
95.04954	15.7
95.06087	2.0
103.05450	21.7
105.04527	5.3
105.07016	100.0
106.07259	2.7
106.07797	5.7
111.04429	4.4
119.08564	12.6
120.05647	1.3
121.02844	15.2
121.03970	3.4
121.06483	15.0
121.10123	52.1
122.06163	2.1
122.07132	26.7
122.09643	2.7
122.10461	1.8
123.08036	12.1
133.07620	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	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57263	0.3
58.94630	0.2
58.99865	1.1
64.27834	0.3
69.88986	1.6
77.00915	0.8
82.01434	14.7
82.99846	1.1
83.01497	0.4
98.21439	0.4
100.02472	79.0
101.00869	19.3
101.02509	2.7
102.02911	0.4
103.67333	0.3
113.03400	0.3
118.03510	47.6
119.01910	100.0
121.02340	0.4
123.04070	1.2
124.02431	0.5
136.04535	1.5
137.02942	38.1
141.05101	1.2
142.03482	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	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94087	0.5
53.03936	1.0
55.01858	1.5
56.96553	1.7
57.03437	4.4
58.99849	3.0
61.02909	1.7
65.52190	0.8
68.02644	1.2
69.01910	1.0
69.03411	3.0
69.52007	2.5
69.52425	1.5
70.99858	1.5
73.02911	1.6
77.00887	3.4
78.08965	0.5
78.52946	2.0
80.05006	1.4
81.03413	2.0
82.01435	20.1
82.99848	1.2
83.01538	0.9
85.02888	1.7
85.53723	0.6
85.62343	0.5
86.03680	0.9
86.52662	0.7
87.01985	0.5
87.53472	1.1
88.02666	2.2
89.00883	1.3
90.02440	0.6
92.52691	0.6
93.19489	0.5
95.01933	0.9
95.04948	1.2
97.02869	1.2
98.52658	0.9
98.97590	1.4
100.02472	92.9
101.00870	25.2
101.02542	5.5
102.02318	1.6
103.02401	0.5
103.88190	0.5
109.02894	1.0
111.02894	1.1
111.52972	0.6
113.00857	1.4
115.02438	1.1
118.01147	2.0
118.03510	56.0
119.01907	100.0
119.03603	3.5
120.02009	1.0
121.01657	1.1
122.47334	0.5
123.04079	2.1
123.05557	1.8
124.02487	0.9
124.03953	2.2
131.01910	4.5
132.02028	0.7
133.03430	1.3
136.04546	1.1
137.02939	33.8
141.02681	1.5
141.05066	1.4
142.03482	7.6
143.01817	0.6
143.03670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01866	0.8
56.96559	2.4
57.03427	1.8
58.99861	2.5
61.02889	0.5
61.38145	0.4
62.48083	0.4
67.05489	1.8
69.03410	1.4
69.22510	3.0
69.22932	1.8
69.52596	0.4
70.99840	1.2
73.02913	1.3
73.21998	0.4
77.00896	2.9
78.40722	0.4
78.52950	1.0
79.05483	0.9
80.05008	4.3
81.03397	1.6
81.07031	1.1
82.01432	16.9
82.99849	0.9
85.02859	0.7
89.00863	0.7
95.04961	15.2
95.08562	0.7
96.04484	1.9
97.02870	0.5
98.97552	2.5
100.02471	95.1
101.00867	18.1
101.02535	5.4
109.02846	0.6
110.54479	0.4
111.02879	0.6
112.03951	1.0
116.98594	1.0
118.01183	1.1
118.03510	68.5
119.01908	100.0
119.03598	4.1
120.01990	0.8
121.01563	0.6
123.04386	2.5
123.05537	6.9
123.08064	1.0
124.02486	1.0
124.03925	6.3
131.01889	2.7
133.03424	0.8
136.04532	2.7
137.02940	45.3
140.03421	0.5
141.05040	2.4
142.03494	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	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	1.2
51.02371	5.7
53.03942	8.6
54.03463	0.8
54.30698	0.7
55.01882	1.8
55.05497	4.8
56.05031	1.8
57.07061	6.7
59.64560	0.7
65.03926	1.3
66.03477	0.9
67.05495	23.9
68.05006	2.2
69.07050	2.9
69.57305	4.9
77.03928	10.3
78.85154	0.7
79.05484	18.1
80.05007	8.5
81.03403	2.0
81.04514	2.2
81.07047	100.0
82.07380	2.1
83.06108	3.8
85.30004	0.9
93.07030	1.9
94.07803	0.9
95.04957	32.2
95.06004	1.3
95.08600	17.8
96.04486	3.6
96.05249	1.2
97.07645	1.9
98.20757	1.8
100.02477	2.4
105.03384	12.0
105.04477	4.4
105.07063	1.2
107.06061	2.5
108.05735	1.9
108.09364	0.9
112.03969	1.9
118.03527	1.4
119.01890	0.9
121.10161	1.4
123.04419	83.9
123.05517	11.7
123.08055	5.7
123.09208	1.1
123.11686	22.6
124.03938	8.8
124.04807	4.0
124.07651	0.9
124.08706	4.8
140.03413	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.4
51.02372	0.7
51.50688	0.5
53.03945	6.1
54.03462	1.5
55.01867	1.0
55.05508	5.8
56.05038	4.1
57.07069	4.5
65.03935	2.3
66.04717	0.5
66.63196	0.5
67.05500	22.7
67.62899	0.4
68.05033	2.9
68.05824	0.6
69.04548	1.0
69.07058	2.7
69.86107	2.2
70.06590	1.3
70.36775	0.5
77.03928	1.6
78.03439	0.9
79.05488	17.9
80.05009	10.5
80.05756	0.6
80.84969	0.5
81.03417	1.2
81.04534	3.8
81.07049	100.0
82.05314	0.9
82.06571	1.1
82.07382	2.5
83.05628	1.0
83.06094	6.0
91.05467	0.9
93.07037	3.4
94.07816	0.9
95.01364	0.6
95.04961	34.7
95.05967	1.0
95.08600	19.0
96.04481	5.7
96.05196	0.9
96.08112	1.4
97.07652	4.0
98.20832	0.8
100.02476	3.4
105.03389	1.8
105.04514	2.0
105.07037	1.8
107.04924	0.6
107.06054	4.7
108.05709	2.6
108.09382	0.8
109.02887	0.8
112.03956	3.4
118.03512	3.0
119.01931	2.9
121.10120	1.4
123.04419	16.3
123.05531	15.4
123.08115	9.5
123.09125	1.0
123.11694	22.5
124.03954	12.1
124.04792	1.1
124.05898	0.6
124.07581	1.9
124.08685	8.9
124.12025	1.1
137.02946	1.3
140.03386	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Santene
Peak:m/z	Relative Intensity
53.03946	2.2
55.05504	4.2
57.07066	4.8
61.25581	0.4
65.03925	1.5
67.05498	14.1
67.26242	0.5
68.05014	0.7
68.59761	0.4
69.07057	3.1
79.05485	14.7
80.05004	4.2
80.90473	0.4
81.03420	0.8
81.07047	100.0
82.01437	0.5
82.07384	2.5
93.07040	1.9
94.07809	0.7
95.04956	7.2
95.08598	14.6
96.04491	4.1
98.21629	0.6
100.02463	1.3
103.87826	0.5
105.04507	0.7
105.07014	0.5
108.09344	0.8
109.02870	0.5
112.03952	1.6
118.03493	1.6
119.01905	1.4
121.10142	1.7
123.04453	1.4
123.05541	7.5
123.08041	1.6
123.11690	20.5
124.03932	7.5
124.12006	0.8
137.02983	0.6
140.03389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.7
51.02369	1.7
51.17809	0.6
53.03943	9.9
54.03466	3.1
55.01853	2.3
55.05501	6.8
56.05026	5.8
57.07073	7.0
58.06598	0.7
62.07674	0.6
65.03924	4.6
66.03448	0.9
67.05497	27.4
68.05024	4.1
69.03408	0.6
69.04554	1.0
69.07063	4.1
70.06580	1.9
71.51611	0.7
75.29422	0.6
77.03913	2.6
78.03471	1.0
79.05482	22.3
79.14655	0.6
80.04562	1.2
80.05007	15.6
81.03407	1.8
81.04541	5.1
81.07046	100.0
82.05310	0.9
82.06586	1.7
82.07384	2.8
83.05639	0.9
83.06093	9.3
91.05486	0.8
93.07022	3.8
94.07824	0.9
95.04958	51.9
95.08599	17.8
96.04485	8.6
96.05301	1.8
96.06396	0.6
96.08118	0.8
97.07643	5.5
100.02473	4.1
105.03416	1.7
105.04494	3.7
105.07022	2.0
107.04930	1.0
107.06055	6.4
108.05705	4.0
108.09362	1.1
109.02879	1.5
112.03968	4.3
118.03518	2.5
119.01897	3.4
121.10155	0.9
123.04433	21.4
123.05549	22.5
123.06557	1.1
123.08125	13.1
123.09141	1.5
123.11682	19.5
124.03945	17.8
124.04853	1.1
124.05845	0.8
124.07621	2.4
124.08700	10.2
124.12063	1.1
125.07173	0.7
137.02931	2.4
140.03427	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.5
53.03933	2.7
53.86711	0.5
55.05508	5.2
55.05775	0.6
57.07071	5.5
62.68358	0.4
64.28022	0.5
65.03936	1.1
67.05498	15.8
67.76044	0.5
69.07056	3.2
69.80696	0.4
69.84525	1.5
69.84939	1.2
79.05487	16.7
80.05006	6.9
80.05784	0.7
80.83521	0.5
81.03426	0.8
81.07047	100.0
82.07372	1.8
91.05474	0.8
93.07032	3.7
94.07834	0.8
95.04961	9.6
95.07982	0.8
95.08595	16.6
96.04482	3.9
96.05085	0.6
96.08926	0.6
98.20815	0.7
100.02475	2.8
105.07046	1.2
107.12265	0.4
108.05714	0.6
108.09389	0.9
109.02871	1.0
112.03950	2.6
118.03501	2.5
119.01939	1.5
121.10159	1.2
123.04433	2.5
123.05548	11.5
123.08076	5.2
123.08897	0.7
123.11697	21.1
124.03942	9.9
124.07571	0.9
131.20799	0.4
137.02908	1.0
140.03416	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49375	0.2
66.23699	0.2
70.93951	0.3
70.94292	0.4
81.53269	0.2
82.01447	0.4
82.99826	1.7
83.01516	0.7
84.01202	0.5
90.80065	0.2
99.91900	0.2
100.02481	1.5
101.00875	21.0
101.02548	3.2
102.00931	1.3
102.02229	2.0
102.02874	0.3
114.05975	0.2
118.03524	0.9
119.01914	100.0
120.02007	6.6
120.03177	1.0
121.02312	0.4
124.02419	0.2
130.02042	0.2
137.02950	35.6
138.03024	2.2
142.03491	5.2
143.03546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.1
56.96559	0.4
57.03436	0.4
58.99849	1.0
60.00640	0.2
61.02908	0.2
69.03430	0.3
69.82928	0.8
69.83337	0.3
70.99844	0.7
73.02919	0.3
77.00903	1.0
78.52945	0.2
80.04999	0.5
80.52696	0.3
82.01443	0.6
82.54524	0.2
82.99830	1.2
83.01485	1.1
84.01186	0.3
85.02903	0.3
86.52699	0.2
87.52560	0.2
89.00880	0.8
92.01302	0.2
92.52738	0.2
93.02615	0.2
95.01951	0.3
96.04516	0.2
100.02470	2.0
101.00865	17.7
101.02541	5.4
101.53244	0.2
102.00975	0.7
102.02218	2.5
103.00629	0.2
103.03204	0.2
103.35605	0.1
111.07674	0.2
112.03680	0.2
115.02471	0.2
117.02100	0.2
118.03518	1.4
119.01905	100.0
119.03638	3.8
120.02010	4.7
120.03266	1.7
121.01650	0.4
121.02404	0.4
121.03455	0.3
124.02482	0.8
124.03938	2.9
131.01865	0.3
133.01665	0.2
133.03435	0.5
137.02936	41.5
138.03036	2.2
142.03481	6.5
143.03566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62986	0.2
56.96554	1.6
58.89739	0.2
58.99862	0.5
69.89955	0.9
70.99845	0.5
77.00854	0.3
80.05000	0.4
82.01428	0.2
82.99818	1.4
83.00694	0.2
83.01521	0.4
83.06110	0.3
84.01173	0.3
97.02875	0.5
98.97574	0.6
100.02480	1.3
101.00870	18.5
101.02535	2.2
102.00925	0.8
102.02224	1.1
107.06065	0.4
112.03918	0.2
116.98618	0.4
118.03529	0.9
119.01908	100.0
120.01990	6.2
120.03259	0.5
121.02332	0.4
124.02407	0.5
124.03954	0.6
124.07591	0.3
124.08682	0.5
128.98659	0.3
130.91377	0.1
133.03436	0.4
137.02940	41.5
138.03049	2.7
138.11661	0.2
139.03387	0.2
142.03485	4.7
143.03648	0.3
143.93111	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
54.45019	0.7
55.01869	0.8
55.05503	0.8
56.05029	1.5
65.03919	1.6
66.04276	0.7
66.04697	1.0
67.05493	1.4
68.05016	3.8
69.03415	1.4
69.07056	0.8
71.53230	1.1
75.02492	0.6
78.03455	2.2
78.15410	0.7
79.01835	0.8
79.05481	4.5
80.05006	16.1
80.05775	0.8
81.03413	34.0
81.05331	0.9
81.05787	1.4
81.07037	2.0
82.07376	2.5
83.04989	0.9
83.06088	1.1
94.02922	0.7
94.04177	3.5
95.04978	3.2
96.04480	23.7
96.05264	3.9
96.08125	3.1
96.08929	0.8
97.02886	9.3
97.03922	1.0
97.04813	1.1
97.06517	0.9
97.07640	2.3
101.00877	1.1
101.41313	0.7
102.02239	0.8
106.06541	0.8
107.04939	0.8
107.06089	1.9
107.08578	0.6
109.02868	100.0
110.03197	2.3
112.03954	23.4
119.01910	11.8
119.03584	2.6
120.03268	1.6
124.03943	79.1
124.05178	22.3
124.05893	3.0
124.07574	8.3
124.08645	3.7
125.02377	3.1
125.03432	0.7
125.04285	2.0
125.05988	1.9
125.09621	1.8
137.02934	8.7
140.03404	10.2
142.03447	1.1
144.12685	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
53.50898	0.4
54.03461	1.2
55.01858	0.5
55.05489	0.7
55.80795	0.4
56.05035	3.7
58.06570	0.6
65.03938	0.8
66.03468	0.4
66.04713	2.6
67.05502	1.1
68.05005	1.6
68.05826	0.7
69.03391	0.4
69.04534	0.9
69.65067	0.4
69.74429	0.9
69.74848	1.8
70.06587	1.5
71.06570	0.4
71.41823	0.4
78.04703	0.9
79.05479	1.5
80.05015	6.1
80.05811	0.7
81.03412	32.2
81.04503	2.5
81.05811	0.6
81.07039	2.0
82.03740	0.6
82.07370	2.9
83.04982	0.6
83.06092	4.8
93.03413	0.5
94.04185	10.1
95.04965	7.0
96.04481	5.5
96.05284	1.7
96.08120	1.4
96.08942	0.8
97.02857	2.7
97.06548	1.0
97.07654	3.3
101.02518	0.5
107.06073	4.3
107.08579	0.4
109.02872	100.0
110.03199	1.5
112.03951	6.5
119.01883	2.0
119.03618	0.6
120.53622	0.4
123.04473	0.6
124.03952	20.5
124.05201	26.2
124.07598	2.1
124.08698	8.8
124.12043	0.8
125.02335	0.9
125.06077	0.8
125.07085	1.1
131.66524	0.4
134.44180	0.5
137.02975	0.9
140.03429	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	126.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
56.96561	0.2
59.06122	1.3
60.99612	0.2
68.05032	1.1
69.14774	0.2
71.01396	0.4
80.05032	0.2
81.03427	1.0
82.06558	0.3
83.54823	0.3
84.99608	0.8
86.08427	0.3
89.73349	0.2
102.00977	0.3
102.02219	1.8
103.00628	16.9
103.01254	0.9
103.02555	0.6
109.02874	1.3
109.07592	0.2
110.76347	0.2
112.78146	0.2
113.03439	0.3
120.01974	2.4
120.03251	0.9
121.01653	100.0
122.02029	0.7
123.02078	0.5
126.02135	0.6
126.10253	0.6
127.03887	1.7
138.03014	1.2
139.02676	42.4
140.03117	0.3
144.03218	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	130.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
53.59870	0.9
55.03008	1.0
55.05497	3.7
56.05031	5.5
57.03452	0.8
57.07069	54.5
57.47338	0.7
58.07396	1.9
59.04974	0.8
59.06122	1.2
64.16288	0.8
67.05482	2.2
68.05013	1.2
69.03420	42.0
69.07053	4.5
69.68185	3.7
70.03753	1.3
70.06570	3.5
72.04504	1.9
72.08150	13.3
72.93786	0.8
74.09709	35.2
82.06573	2.8
84.04494	25.8
84.08134	25.2
85.02889	0.9
85.07657	3.9
85.08472	1.0
86.06010	0.9
87.09229	1.7
91.05461	8.7
94.06550	1.5
95.04948	1.7
98.04755	0.9
103.04794	1.8
103.05457	28.6
112.07588	100.0
113.07132	2.4
113.07939	4.5
115.05460	1.4
116.06223	2.5
129.06989	1.4
130.05025	1.0
130.06544	7.8
130.08624	19.5
130.09634	1.5
130.15903	73.8
131.04907	5.9
131.08519	7.4
131.16217	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	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.4
53.03939	2.4
53.04138	0.3
66.41920	0.5
68.53461	0.4
70.03892	2.1
72.64842	0.4
76.15585	0.4
77.03909	0.5
78.04694	2.6
91.05479	4.0
95.04945	4.3
96.05303	0.5
97.36203	0.4
102.04709	0.9
103.05456	32.6
104.06292	4.4
105.04491	1.0
108.31273	0.5
113.07927	0.9
115.87250	0.4
119.14561	0.4
119.80255	0.4
120.29935	0.4
131.04910	100.0
131.08574	1.4
132.05794	6.8
132.08035	0.8
148.26184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
56.96562	0.7
57.03429	0.7
62.54215	0.5
69.03418	1.1
70.03748	1.9
70.28984	2.2
77.03938	0.6
79.79202	0.5
85.04820	0.8
85.08460	1.4
86.09740	0.9
91.05476	24.9
95.04958	7.5
98.21413	0.7
102.04682	1.7
103.05462	100.0
104.05775	4.2
105.04529	2.0
109.55120	0.5
112.09309	0.5
112.18530	0.5
112.90463	0.6
113.07920	4.5
115.05427	2.5
116.06225	7.8
128.06224	1.1
129.07002	3.5
131.04926	19.7
131.05908	0.9
131.06999	1.0
131.08545	19.7
132.05750	0.9
132.08063	1.4
132.08932	1.1
148.16797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.2
51.02381	0.6
52.51029	0.1
53.03942	3.1
55.01861	0.2
56.96556	0.2
69.03429	0.2
69.28851	0.6
69.29279	0.6
69.61408	0.1
70.03753	0.2
77.03917	0.8
81.03400	0.5
85.04801	0.2
85.08465	0.2
91.05469	2.0
95.04961	5.5
96.05273	0.1
98.20697	0.3
101.40405	0.1
102.04685	1.1
103.05458	100.0
104.05790	4.1
105.04496	1.4
113.07942	0.7
115.05473	0.2
116.06242	0.8
129.07013	0.3
131.04918	9.9
131.08540	1.9
132.05273	0.4
132.08057	0.1
144.08051	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09413	0.9
53.03933	4.4
57.03417	1.8
58.51155	0.9
63.16089	1.0
65.03922	2.0
69.03413	3.2
70.03748	4.2
70.65627	2.4
70.65955	0.9
77.01028	0.9
78.04687	1.7
84.04489	4.0
85.04832	7.9
85.08462	4.4
86.09673	1.0
91.05475	100.0
92.05798	3.9
95.04948	3.0
102.04636	1.1
103.05460	61.8
104.06283	2.0
105.04531	1.3
109.06483	1.8
113.07934	15.4
115.05439	7.0
116.06242	23.6
117.05743	2.4
117.06534	1.1
128.06201	1.6
129.06990	13.6
130.07332	1.4
131.04916	45.8
131.05933	2.7
131.06941	2.1
131.08549	81.5
132.05624	4.7
132.08032	2.4
132.08919	4.6
133.06505	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	DL-tert-Leucine
Peak:m/z	Relative Intensity
53.03920	0.8
54.05647	0.5
55.01857	0.7
56.05011	0.7
56.82735	0.6
56.96561	20.6
57.03431	2.8
58.05319	1.1
58.06580	0.7
59.06119	0.9
60.95842	2.2
61.02922	1.4
63.45501	0.6
69.03421	1.8
69.07051	1.9
69.72395	1.3
69.72809	2.7
70.98123	0.8
71.04982	1.4
72.08146	0.6
73.02914	1.8
74.03212	0.6
74.06055	1.0
74.97623	0.6
75.05591	1.7
79.05489	0.7
83.00787	0.6
84.01575	1.2
85.02883	2.4
86.01335	0.6
86.06027	0.8
86.09698	100.0
87.00945	0.7
87.05596	0.6
87.10036	3.3
87.82339	0.5
88.07604	0.8
89.00726	0.9
90.01521	0.9
96.01588	0.8
97.02892	1.5
98.01291	1.8
98.21312	1.1
98.97573	5.8
99.04465	1.0
99.85396	0.6
100.02457	1.3
101.00805	0.6
103.00565	0.7
105.02070	0.7
105.07018	3.1
107.01789	0.8
110.01321	0.9
116.98638	3.8
118.01024	1.4
118.03493	1.1
119.00194	0.7
119.01878	3.3
122.51672	0.9
127.01550	0.7
128.98607	1.2
131.01828	0.8
131.52119	0.6
132.08115	0.8
132.10124	1.2
133.06491	0.7
133.10080	1.6
134.99673	1.9
137.02985	0.8
137.04820	0.9
137.28008	0.6
146.48416	0.6
146.99609	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	1.7
51.02370	8.0
53.03940	11.2
55.01871	5.6
55.05499	1.6
56.05024	2.2
56.96555	4.5
57.03421	1.2
57.04545	4.8
58.02947	3.9
58.05335	12.5
58.06584	2.8
59.04995	2.0
59.06111	3.9
60.04510	3.4
65.03930	2.6
65.49846	1.1
67.05487	1.2
69.03413	2.3
69.04541	1.2
70.02950	1.4
70.06576	2.8
70.50876	1.0
71.01355	1.4
71.04974	3.2
71.06095	1.7
71.16983	1.1
71.52390	1.7
71.52787	1.3
72.04504	3.9
73.02898	2.2
73.04033	3.5
74.02425	1.3
74.04855	1.8
74.06064	6.2
75.05598	27.4
76.03985	3.1
77.03924	53.9
78.04250	1.7
78.04713	1.2
79.05492	14.3
82.45932	1.0
82.95118	1.0
85.04017	9.4
85.07653	1.2
87.05579	8.4
88.02203	1.7
88.07622	3.8
91.05486	16.9
92.03474	1.2
92.07098	1.4
93.05790	1.6
93.07027	4.1
95.04939	10.3
97.02871	2.4
98.06069	1.3
103.05464	8.3
105.03383	60.8
105.04520	3.6
105.07021	100.0
106.03693	1.7
106.06548	3.3
106.07339	2.6
115.05562	5.3
116.07102	3.1
117.06998	3.2
118.04129	1.2
118.07797	2.5
123.07953	1.2
131.08577	6.4
131.09404	1.1
133.02846	19.7
133.05042	2.0
133.06458	27.0
133.07591	4.9
133.10141	31.7
134.05995	6.4
134.07109	4.2
150.96954	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	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03939	3.1
55.01867	4.0
55.05500	0.9
55.84902	0.5
61.98231	0.5
65.03929	0.7
66.04714	2.2
67.05476	0.6
77.03917	1.2
79.05483	16.6
79.16991	0.5
81.03435	0.6
83.99388	0.7
89.03894	0.6
90.04694	3.9
91.04918	0.6
91.05474	10.8
93.07050	1.9
95.04954	5.5
98.21558	0.8
103.05457	12.6
105.03376	1.1
105.07021	100.0
106.06693	0.6
106.07348	2.9
107.04939	0.9
115.05444	5.8
117.07016	2.5
118.04158	11.3
118.07769	1.6
131.04929	1.2
131.08592	3.2
132.05704	0.7
133.06480	66.0
133.10112	19.1
134.06769	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	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02374	1.1
51.69816	0.5
53.03948	2.5
54.91572	0.5
55.01862	3.1
55.05501	1.1
55.76476	0.5
65.03919	0.6
66.04706	1.5
67.05497	0.6
69.40017	4.9
77.03905	0.8
79.05488	17.5
86.34718	0.5
90.04693	3.1
91.05475	11.9
92.02603	0.7
93.07017	1.5
95.04958	3.9
98.20679	1.1
103.05458	14.4
104.06275	0.6
105.03395	0.9
105.07018	100.0
106.07322	4.1
107.04958	1.2
115.05457	5.5
117.06989	3.1
118.04153	11.9
118.04932	0.9
118.07787	2.3
126.32298	0.6
131.04898	1.6
131.08580	3.3
133.02873	1.3
133.06479	73.3
133.10107	18.9
134.05948	1.3
134.06874	2.2
134.10463	0.7
148.97670	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.42149	0.6
53.03926	2.2
55.01872	4.4
64.55904	0.7
65.03919	0.9
71.13763	1.8
73.49098	0.7
75.79878	0.7
78.04729	1.1
79.05073	0.9
79.05486	18.0
91.05477	5.8
95.04963	3.9
103.05460	12.0
104.05761	1.0
105.07029	100.0
106.07335	3.3
107.04962	1.1
115.05433	6.0
117.07005	0.9
118.04171	0.9
119.04952	0.7
131.04932	1.2
131.08527	1.0
132.05232	6.9
133.06494	87.0
133.10112	6.2
134.06911	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	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.15116	0.4
51.20053	0.4
53.03938	5.5
55.01873	4.6
55.05507	0.5
63.28317	0.5
65.03933	4.5
73.30924	0.4
77.03911	1.0
79.05484	30.4
80.05818	0.9
91.05468	6.8
92.05763	0.6
93.07005	0.7
95.04956	7.9
101.82565	0.4
103.05460	20.5
104.05762	0.7
105.04568	2.6
105.07019	100.0
106.06615	0.8
106.07352	3.2
111.04427	3.5
115.05416	3.0
117.06992	1.5
118.04134	1.0
118.07755	1.3
128.32079	0.4
131.08553	1.4
132.05200	0.6
133.02852	0.5
133.06482	18.3
133.07443	0.6
133.10109	9.9
134.05984	1.7
134.06871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02367	1.0
51.25267	0.4
52.08549	0.4
53.03939	5.2
55.01865	4.5
60.76626	0.4
65.03650	0.5
65.03937	5.9
68.06665	0.4
70.01200	0.4
71.52782	0.6
71.55925	0.4
77.03911	1.4
77.14700	0.4
79.05486	32.1
80.05811	0.7
81.03399	0.6
88.02195	0.5
91.05476	9.6
92.05795	1.0
92.74361	0.5
93.07046	2.3
95.04956	9.9
96.43266	0.4
98.21638	0.5
103.05460	22.7
104.05759	0.7
105.03393	0.9
105.04536	2.6
105.07022	100.0
106.06618	0.8
106.07323	3.2
111.04435	2.7
115.05450	4.1
117.07000	1.7
118.04153	0.7
118.07819	2.0
131.08554	1.9
133.02867	1.0
133.05461	1.0
133.06485	19.3
133.09105	0.8
133.10120	14.3
134.05995	2.5
134.06909	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02358	0.9
53.03714	0.3
53.03940	4.6
55.01869	3.2
55.05499	0.6
62.01560	0.3
65.03932	4.2
67.05504	0.6
69.38696	0.3
69.39031	3.1
77.03909	0.9
78.04700	0.4
79.05486	28.7
80.05817	0.6
81.03399	0.6
89.69318	0.3
91.05477	7.6
91.82402	0.3
92.05809	0.7
93.07056	0.8
95.04956	7.8
103.05457	20.3
104.05777	0.6
105.04556	1.7
105.07020	100.0
106.07340	3.7
111.04427	2.4
115.05454	2.7
116.06285	0.4
117.07026	1.2
118.04156	0.6
118.07799	0.7
119.46325	0.3
131.04951	0.5
131.08572	1.5
132.05202	2.3
133.02820	0.5
133.06488	17.9
133.10109	8.7
133.11082	0.5
134.05959	0.8
134.06880	0.5
135.59686	0.3
139.92566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.5
53.03933	1.9
55.01859	2.1
55.05507	2.5
58.05336	0.6
64.67144	0.4
65.03918	0.5
66.04722	1.4
67.05499	0.8
69.64505	3.2
77.03916	0.8
79.05486	13.5
79.62612	0.4
89.67589	0.5
90.04703	2.9
91.05476	22.8
93.07039	3.5
93.70628	0.4
95.04933	2.6
98.21490	0.8
102.04630	0.5
103.05462	9.9
105.07021	100.0
106.06651	0.7
106.07325	2.8
107.04961	1.1
115.05455	4.9
116.06243	0.6
117.06996	2.9
118.04158	6.9
118.07809	2.9
129.06969	0.5
131.04904	0.8
131.08585	5.0
132.49295	0.4
133.02824	0.8
133.06482	45.1
133.10117	27.2
134.03662	0.5
134.06837	1.9
151.14020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02368	0.4
53.03939	2.9
55.01861	4.4
55.05500	1.0
58.05326	0.6
60.29907	0.3
65.03934	0.7
67.05499	0.3
71.51355	0.6
75.05595	0.7
77.03918	0.8
79.05483	21.2
80.05824	0.4
81.03463	0.3
85.04028	0.7
89.02853	0.2
89.10800	0.3
91.05466	8.4
92.05757	0.3
93.07030	3.1
95.04958	4.3
97.37534	0.2
103.05453	12.1
105.03382	0.7
105.07014	100.0
106.07345	3.8
107.04929	0.5
111.04427	0.3
115.05431	3.5
117.06993	2.0
118.07770	1.7
131.04895	0.8
131.08556	2.1
133.02910	0.6
133.06471	34.4
133.10112	13.5
133.20714	0.3
134.05922	0.5
134.06853	1.3
134.10461	0.4
144.79520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.37249	0.6
50.79538	0.6
53.03944	2.7
55.01859	0.7
55.05504	4.4
61.39181	0.7
64.77635	0.7
65.03918	0.8
67.05494	1.2
69.37768	6.0
77.03913	1.4
79.05483	14.0
91.01096	0.7
91.05471	36.9
92.05801	1.4
93.07046	7.4
94.54835	0.7
95.04953	2.8
103.05441	7.2
105.03394	1.0
105.07018	99.6
106.06651	0.7
106.07327	3.6
107.08585	2.0
115.05436	7.8
116.06220	1.6
117.07012	11.4
118.04167	0.7
118.07799	9.9
129.06935	1.0
131.08549	10.1
131.10100	0.8
133.02855	1.0
133.06519	5.9
133.10115	100.0
134.05972	2.4
134.06908	0.9
134.10455	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	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02381	1.7
53.03933	2.5
55.05492	4.4
61.90176	1.4
64.24073	1.5
70.12296	3.0
70.12669	2.3
71.62810	1.3
77.03895	1.5
79.05483	15.7
91.05467	42.8
93.07025	6.5
95.04955	4.3
103.05476	6.9
105.07022	97.4
106.07362	3.0
107.08575	2.5
108.43098	1.4
115.05424	9.4
117.07001	11.7
118.07798	14.2
129.06999	1.6
131.08565	11.2
133.06523	2.7
133.10117	100.0
134.10469	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	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03929	1.7
55.05513	5.2
56.37362	1.0
65.03920	1.4
67.05511	1.7
71.12076	2.7
71.28027	1.0
79.05486	8.9
91.05473	36.3
92.05801	1.6
93.07040	4.8
95.04979	1.9
103.05473	5.7
105.07024	100.0
106.07354	3.5
107.08557	1.8
115.05456	6.8
117.07011	8.7
118.07806	9.0
127.16381	1.1
131.08557	10.4
133.10121	80.9
134.10454	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	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.71045	0.5
51.02350	0.5
53.03939	2.1
55.05507	5.7
67.05493	1.2
71.48069	1.2
71.84224	0.5
79.05490	9.3
91.05475	41.4
92.05799	1.6
93.07039	4.4
95.04961	1.9
103.05460	3.9
105.07025	100.0
106.06609	1.1
106.07371	2.7
107.08562	0.7
115.05451	4.3
116.06223	1.5
117.07001	5.8
118.04196	0.6
118.07793	5.3
131.08575	9.0
132.08943	0.6
133.06528	2.9
133.10123	52.0
134.06000	1.0
134.10487	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	133.1009
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.00793	0.2
51.02376	0.3
53.03940	0.4
55.05509	1.2
65.03934	2.2
69.31671	2.4
73.89728	0.2
77.03951	0.3
78.04711	1.3
78.66076	0.2
79.05484	2.7
88.36962	0.2
88.87241	0.2
91.05472	100.0
92.05804	3.4
92.52121	0.3
92.99681	0.2
93.07034	1.0
95.04954	0.6
98.21578	0.4
103.05461	2.6
103.48754	0.2
104.06240	16.7
105.03407	0.2
105.07024	24.2
106.06664	0.2
106.07353	1.0
106.94299	0.2
115.05415	0.6
117.07037	1.2
118.07762	0.8
131.08540	1.1
133.02818	0.4
133.06540	1.2
133.10115	12.7
134.06021	0.9
134.10443	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.74103	0.4
53.03934	1.4
55.01862	1.6
55.05503	2.5
67.05489	0.5
70.26335	1.6
74.94560	0.4
77.03917	0.5
79.05488	9.2
91.05478	15.0
92.05797	0.5
93.07040	5.7
94.07404	0.6
95.04957	1.9
103.05457	7.4
105.07021	100.0
106.07367	4.2
107.08582	0.5
114.42106	0.4
115.05463	3.2
116.06207	0.7
117.07030	3.7
118.07812	3.4
131.08553	5.3
133.02888	0.7
133.06493	12.9
133.10121	30.7
134.05934	0.7
134.06934	0.7
134.10475	1.3
141.09427	0.4
154.67149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
52.84811	0.3
53.03941	1.7
53.53265	0.3
55.05504	2.3
65.03931	0.9
67.05487	0.8
69.04368	0.4
69.99100	1.8
77.03910	0.6
79.05485	7.7
89.71897	0.3
91.05468	24.5
91.34013	0.4
92.06301	0.8
93.07030	6.6
95.04968	2.2
103.05449	5.1
105.07020	62.7
106.07378	2.0
107.08574	1.7
115.05441	7.4
116.06210	1.4
117.07008	10.0
118.07800	9.7
119.08165	0.6
129.07059	0.5
131.08548	8.0
132.08908	0.7
133.06522	2.0
133.10117	100.0
134.10452	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
52.18378	0.6
53.03940	2.7
53.55303	0.5
55.01868	0.8
55.05510	4.8
58.05350	0.7
65.03925	1.8
67.05489	1.6
70.09188	3.0
77.03902	1.5
77.08882	0.6
77.34653	0.6
79.05482	10.2
91.05470	32.9
92.05793	1.3
93.07029	5.7
95.04937	3.3
98.20824	0.7
103.05463	5.1
105.03388	1.5
105.07018	100.0
106.07365	3.6
107.08556	1.6
111.04433	0.7
115.05451	7.8
116.06220	2.1
117.07007	10.7
118.07787	8.8
131.08559	10.7
133.02856	1.4
133.06509	6.2
133.10114	86.6
134.05969	3.7
134.06921	0.7
134.10481	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02385	0.3
53.03935	1.7
55.05499	2.5
65.03939	0.8
67.05507	0.7
69.71719	0.2
69.99744	0.3
70.00046	1.4
77.03919	0.9
79.05065	0.5
79.05484	6.8
79.21246	0.3
88.02176	0.3
91.05473	19.2
92.05782	0.7
93.07032	7.6
95.04963	2.5
103.05471	3.8
105.03381	0.5
105.07018	57.8
106.07340	1.8
107.08593	1.0
115.05438	5.1
116.06207	0.9
117.06221	0.5
117.07008	6.4
118.07797	5.8
119.08078	0.3
128.35956	0.3
129.07022	0.5
131.08548	6.3
133.02832	1.2
133.06506	3.5
133.10114	100.0
134.05959	0.9
134.06924	0.3
134.10445	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	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01865	1.8
55.05488	0.4
56.96561	3.0
57.03429	4.2
58.99862	1.2
59.06115	0.5
59.52192	1.7
60.04507	0.8
65.03963	0.5
65.52195	0.7
66.04714	0.4
68.52722	1.0
69.03417	2.0
71.16845	1.0
72.52961	1.2
73.02922	1.6
74.06070	0.4
75.05602	0.9
77.00907	1.2
77.52136	0.6
77.53261	0.4
78.04690	0.5
79.05476	2.5
81.03417	1.1
82.01414	2.6
84.52984	0.5
85.02903	0.7
85.51911	1.6
86.01872	0.9
86.52689	3.8
87.02761	0.9
87.05589	1.6
88.02679	1.5
88.51703	0.7
88.52740	0.5
89.01757	0.4
89.51598	0.7
90.03177	0.7
90.52930	2.7
91.02124	0.5
91.05476	5.1
92.06261	1.8
93.01889	3.8
93.07040	1.1
93.51993	0.6
93.53490	0.8
94.06515	0.5
94.52428	0.5
95.02380	2.4
95.04963	1.7
95.52138	1.0
95.53209	1.4
97.53717	0.8
98.97600	0.5
99.02788	0.6
99.03723	4.2
99.53439	1.2
100.02481	22.6
101.00880	2.2
101.02538	1.9
101.53997	1.3
102.02376	2.2
102.04716	0.5
102.52930	0.7
103.02097	2.2
103.05457	32.9
103.53693	1.1
104.02904	19.0
104.05790	1.2
104.52657	12.5
105.00383	0.5
105.02741	0.7
105.03375	1.6
105.04466	0.7
105.07018	0.8
106.06585	0.8
106.07336	1.0
106.53204	1.6
107.04933	2.3
107.06082	0.7
107.08588	1.7
108.04208	4.8
110.54487	25.8
111.02949	2.1
111.04558	2.5
111.53448	1.5
112.02636	8.3
112.52760	0.8
112.54259	0.7
113.03429	100.0
113.53543	7.6
114.03680	0.5
114.52956	1.3
115.01160	1.7
115.02450	0.8
115.53690	18.2
116.03730	1.7
117.04708	0.9
118.03487	17.4
118.54228	1.0
119.01907	8.5
119.03621	1.1
119.04933	1.6
119.54990	5.2
119.97337	0.8
120.02053	1.7
120.03341	0.9
120.04217	1.0
120.05762	2.3
121.01623	1.3
121.06533	0.4
122.03956	5.5
122.05271	1.6
122.53943	0.6
123.04031	1.0
123.53445	5.2
124.02517	0.6
124.03493	0.7
124.54213	55.7
125.04343	4.9
127.04501	1.6
127.54690	0.8
128.97815	0.9
129.03224	0.5
129.04048	0.7
130.01787	0.4
130.06233	0.4
131.01904	2.6
131.04913	11.8
131.55009	1.0
132.05182	0.8
133.02222	1.3
133.03464	0.8
133.54707	1.0
134.03662	0.9
134.05977	1.4
134.07054	1.6
134.99628	0.6
135.04419	2.1
135.05423	0.4
135.11665	0.8
136.05037	3.7
136.55063	0.7
137.02956	2.7
137.50015	1.4
137.98387	1.2
138.00046	0.7
138.03069	0.5
140.53700	0.5
141.05115	0.9
142.03494	6.1
143.03592	0.8
143.19296	0.4
145.03430	1.3
147.05057	0.9
148.05162	1.4
152.05931	0.6
154.03487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0599
Annotation	o-Tolyl isocyanate
Peak:m/z	Relative Intensity
53.03938	2.8
55.01866	0.6
55.05486	0.6
56.76459	0.4
60.04514	0.6
62.70348	0.4
62.95584	0.4
63.02369	0.7
65.03930	8.3
66.04286	0.4
67.05490	1.0
69.07086	0.5
69.88032	1.8
75.05605	0.4
77.03922	0.5
77.69006	0.3
78.04694	0.7
79.05482	15.2
80.05009	0.5
81.07059	0.5
85.49149	0.3
87.05595	1.2
89.03351	0.5
89.03905	8.3
89.04417	0.7
90.03429	0.4
91.05470	100.0
92.05801	3.6
93.07035	3.6
94.07351	0.4
95.04955	4.3
98.20770	0.7
103.61144	0.4
104.05759	0.4
105.03374	1.9
105.04485	0.8
105.07019	3.0
106.04195	1.8
106.06551	43.9
106.07336	6.0
106.56149	0.3
107.04947	7.6
107.06071	1.4
107.06880	1.0
107.08575	5.5
109.06501	15.4
116.04964	3.5
116.05724	0.6
117.03350	1.8
117.07027	0.4
118.07328	0.4
119.06043	6.0
119.08566	0.5
124.05206	3.7
132.04445	1.0
133.02817	0.5
134.06001	53.8
134.10460	2.3
135.04399	13.6
135.06367	1.7
135.07996	1.7
135.08997	0.5
135.11661	1.9
136.41603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0439
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.01590	1.5
51.02378	5.2
53.03703	1.0
53.03942	13.6
55.01850	0.6
55.05509	0.7
65.03940	0.8
67.05482	2.4
69.99655	3.4
70.37943	0.6
77.03520	1.0
77.03925	11.6
79.05486	27.2
80.05852	1.0
81.03400	0.7
91.05483	4.8
93.07029	4.5
95.04358	1.4
95.04960	21.5
96.05283	0.7
98.21474	0.8
105.03391	17.7
105.04466	5.3
105.07013	2.2
107.04939	2.1
107.08581	7.6
109.01151	0.7
109.06486	0.8
135.04405	100.0
135.08032	1.7
135.11694	2.2
136.02168	7.8
136.04764	2.7
136.06149	1.2
136.07515	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.044
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03941	4.2
55.01872	1.1
59.06099	0.9
60.04507	1.5
63.02372	4.8
67.05514	0.9
71.28174	1.8
75.05590	1.0
79.05064	1.5
79.05487	22.9
80.05798	1.4
81.03390	1.0
87.05566	4.1
89.03909	100.0
90.04248	2.2
91.05471	8.1
92.05798	3.6
93.07024	6.2
95.04959	9.8
95.06110	1.2
105.04484	1.9
105.07033	3.0
107.04948	23.1
107.06858	1.0
107.08601	8.5
108.05269	1.7
108.08102	1.0
109.01114	1.9
109.07645	1.2
115.05434	1.1
117.03370	37.0
118.03725	1.1
119.06036	1.0
119.08550	1.0
135.04402	78.5
135.06458	2.6
135.07982	2.7
135.09027	1.1
135.11697	2.7
136.02145	16.4
136.03824	1.0
136.04797	3.2
136.06184	2.2
136.07631	1.5
136.08629	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.044
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.01588	1.2
50.86570	0.3
51.02150	0.4
51.02374	5.2
53.03942	11.6
55.01849	1.4
55.05510	1.7
55.05735	0.4
57.94524	0.3
65.03930	1.3
67.05501	3.2
69.07059	0.8
69.68324	2.3
77.03919	13.0
77.65782	0.3
79.05486	28.4
80.05830	0.8
81.03399	1.1
81.07030	0.8
89.03911	3.4
89.29418	0.3
91.05470	9.5
93.07031	9.3
95.04956	19.9
96.05246	0.4
103.05441	0.7
105.03385	17.6
105.04472	5.6
105.07010	5.0
107.04940	2.9
107.08582	15.0
108.08925	0.6
109.06506	1.5
109.07642	0.4
115.05441	0.5
117.03365	0.9
117.07018	0.8
119.06058	0.5
119.08572	1.7
120.09361	0.5
125.09519	0.4
135.04398	100.0
135.07941	2.5
135.11682	4.2
136.02129	2.7
136.04729	3.7
136.06137	0.4
136.08636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Isochavicol
Peak:m/z	Relative Intensity
51.02370	1.8
53.03938	8.0
53.99836	0.5
55.01856	1.6
55.05508	4.7
60.41123	0.5
65.03924	2.1
67.05491	2.2
68.05035	0.7
69.03429	0.6
69.07048	1.4
70.81749	1.3
76.10227	0.5
77.03924	3.8
79.05483	33.0
79.97340	0.5
80.05019	0.6
80.05824	0.7
81.03400	1.0
81.07050	2.1
82.58800	0.5
87.05580	0.8
89.03911	7.7
91.05472	21.5
92.05773	0.7
92.06281	0.6
93.07036	22.1
94.06538	0.5
95.04956	15.6
95.06043	0.6
96.06866	1.4
103.05452	1.4
105.03397	3.2
105.04487	3.8
105.07021	10.4
107.04942	100.0
107.08578	30.9
108.05264	3.6
108.08916	1.3
109.01034	0.7
109.06505	2.2
109.07651	1.4
115.05447	3.4
117.03373	2.2
117.07011	2.0
119.06063	1.1
119.08590	4.3
120.05672	0.9
120.09359	1.1
135.04404	29.0
135.08037	37.6
135.11661	8.7
136.02156	10.9
136.04803	2.0
136.06180	1.5
136.07535	1.1
136.08533	2.2
136.12019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	p-Methoxystyrene
Peak:m/z	Relative Intensity
51.02368	2.4
51.09253	1.6
52.61765	1.5
53.03947	14.7
55.01873	2.0
55.05513	14.1
58.09524	1.3
63.73488	1.3
65.03929	5.2
67.05495	12.0
69.07058	9.8
69.67754	1.3
69.75301	2.5
69.75707	6.7
70.24633	1.4
72.27106	1.4
77.03915	3.1
79.05488	90.3
80.04992	2.0
81.07046	12.8
82.53838	1.4
91.05476	57.3
92.06266	5.4
93.07039	83.6
94.07869	2.1
95.04959	20.9
103.05462	28.4
105.04515	6.5
105.07026	69.7
106.07332	2.5
107.04945	11.7
107.08588	80.7
108.08875	3.4
109.01103	6.5
109.06514	5.3
115.05441	3.3
117.06995	3.4
119.04886	2.6
119.08567	7.9
120.05720	9.4
120.09378	1.8
135.04430	30.9
135.05440	2.9
135.06509	2.4
135.08046	47.9
135.08989	1.6
135.11682	34.9
136.02156	100.0
136.03828	2.7
136.05136	5.5
136.06175	24.1
136.07553	4.5
136.08440	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02385	1.1
53.03940	6.1
55.01860	1.1
55.05505	8.4
57.07065	1.6
65.03940	5.9
67.05492	2.6
69.07053	2.1
70.72421	1.8
70.72796	1.5
77.03916	1.1
78.04700	3.3
79.05488	22.0
81.07059	3.0
91.05476	50.5
92.05784	2.0
93.07038	48.6
94.07370	1.2
94.40908	0.8
95.04945	8.7
95.08592	1.0
103.05475	3.3
104.06249	0.9
105.04481	2.2
105.07021	22.4
107.04935	4.6
107.08588	74.9
108.08934	2.5
109.06508	7.1
110.83990	0.7
115.05497	1.1
117.07008	1.7
119.06059	3.3
119.07787	1.2
119.08578	13.8
120.09342	3.5
126.78816	0.7
133.10114	1.6
135.04404	100.0
135.08034	1.9
135.11681	20.6
136.02162	5.1
136.05197	23.6
136.06078	0.9
136.12044	1.0
138.30438	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03939	5.6
55.01863	1.2
55.05503	10.8
57.07090	0.8
65.03925	2.8
67.05475	3.7
68.05002	1.2
69.07047	3.8
69.39989	7.8
73.21468	0.8
77.03937	0.9
79.05482	23.4
80.05807	1.4
81.07042	4.3
91.05466	40.9
92.05778	1.4
93.07030	59.4
94.07352	1.7
95.04945	8.1
95.06001	1.2
103.05453	1.1
104.42406	0.9
105.04498	1.9
105.07018	19.0
105.93609	0.8
107.04910	1.7
107.08576	100.0
108.08900	3.5
109.06499	5.7
109.07631	1.2
111.19580	1.0
117.06996	2.1
117.52230	0.8
118.26154	0.8
119.06039	2.7
119.08552	9.0
120.09350	2.9
135.04346	2.2
135.07999	2.9
135.11671	19.4
136.02148	5.5
136.06122	1.1
136.07541	1.9
136.08592	1.1
136.11966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03940	6.5
54.49027	0.6
55.01844	1.0
55.05508	12.6
55.72369	0.6
57.07060	1.5
65.03941	3.6
67.05502	3.2
69.07060	4.7
70.67822	2.2
77.03929	1.9
79.05486	20.2
81.07064	4.1
91.05474	56.5
92.05790	2.2
93.07034	54.3
94.07339	1.7
95.04956	8.7
95.08615	1.5
103.05417	1.3
105.04490	1.7
105.07021	26.2
105.70483	0.7
106.07301	1.1
106.07902	0.7
107.04961	2.0
107.08582	100.0
108.08915	3.8
109.06509	9.8
117.07011	2.3
119.06072	4.0
119.08574	14.8
120.09365	5.3
135.04369	1.2
135.08058	0.8
135.11676	28.2
136.02147	2.7
136.12007	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
55.05511	12.7
57.07070	1.1
65.03917	2.7
67.05480	2.1
68.15014	0.9
69.07052	4.5
69.61392	3.9
69.61802	2.0
77.03922	1.3
79.05483	19.6
81.07037	3.7
91.05474	57.8
92.05779	1.9
93.07036	64.5
94.07349	1.8
95.04964	9.8
95.08601	1.1
98.20824	1.4
101.46056	1.0
103.05444	1.5
104.06187	0.8
105.04485	1.8
105.07022	28.3
106.04163	1.2
106.07832	1.0
107.04911	1.8
107.08585	100.0
108.08936	4.4
109.06516	8.7
117.07016	2.8
119.06031	4.5
119.08568	14.3
120.09378	4.7
133.10097	1.6
135.04433	1.5
135.11678	30.8
136.02148	2.4
136.12027	1.5
145.30449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03945	6.8
55.01854	1.7
55.05507	14.5
62.26179	0.9
65.03927	1.9
67.05502	3.9
69.07066	5.5
70.81561	2.2
70.81882	1.1
72.75221	1.0
77.03909	2.2
79.05487	30.2
80.05804	1.2
80.29676	1.0
81.07045	3.8
89.03896	2.9
91.05473	53.9
91.86648	0.9
93.07035	58.9
94.07346	2.2
94.07861	1.7
95.04973	12.1
96.06842	1.1
98.22263	1.0
103.05443	2.9
105.04473	2.2
105.07021	21.8
106.04171	1.1
107.04932	4.7
107.08585	100.0
108.08901	2.5
109.01125	1.2
109.06503	9.5
117.03344	1.2
117.07032	3.6
119.06042	5.2
119.08572	14.1
120.09319	4.3
133.10181	1.1
135.04427	12.6
135.08063	6.2
135.11681	23.0
136.02145	17.9
136.06143	2.6
136.07619	1.9
136.08649	1.3
136.12022	1.2
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
53.03938	5.3
55.05495	10.8
57.36281	1.9
65.03931	4.7
67.02978	2.4
67.05496	2.1
68.05026	2.2
69.07054	3.5
71.26336	6.0
79.05479	27.5
81.07032	4.4
91.05472	55.2
93.04503	4.6
93.06481	4.8
93.07036	66.8
94.05298	2.5
95.04964	12.0
95.06093	6.3
96.06841	2.8
103.05446	2.3
105.04492	2.9
105.07021	31.7
106.50815	2.0
107.04935	7.2
107.08583	100.0
108.08897	3.6
109.01110	3.2
109.06502	9.1
109.07648	5.5
117.07072	2.2
119.06094	4.9
119.08605	14.4
119.42516	2.4
120.09338	4.7
135.04404	8.5
135.06639	6.9
135.07979	8.0
135.11682	35.2
136.02147	44.8
136.05199	2.8
136.06168	12.3
136.07649	4.0
136.08621	13.1
144.53345	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02367	1.6
53.03941	5.8
54.83983	0.9
55.05509	8.8
58.96451	0.8
60.29435	0.8
65.03918	2.4
67.05487	3.3
69.07049	3.2
69.40188	8.0
79.05485	24.7
81.07039	4.0
89.03880	2.3
91.05473	54.7
92.05768	2.4
93.07036	56.4
94.07330	1.4
95.04971	10.1
103.05447	2.4
103.67954	0.9
104.06239	1.2
105.04494	2.5
105.07017	26.5
107.04932	2.2
107.08582	100.0
108.08910	4.3
109.06509	9.1
117.07011	3.2
119.06042	4.0
119.08566	16.9
120.09374	4.8
133.10095	0.9
135.04401	5.1
135.08038	3.7
135.10692	1.9
135.11678	29.8
136.02164	5.2
136.06187	1.4
137.09608	1.1
147.09236	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03944	7.6
54.94434	1.0
55.05506	17.7
65.03922	2.6
67.05497	19.8
68.11961	1.0
69.07061	10.0
71.37043	1.4
71.43589	2.0
74.95427	1.1
77.03902	1.0
77.97523	1.1
78.83149	1.2
79.05483	69.5
80.05801	2.2
81.07045	24.7
91.05470	46.3
93.07032	100.0
94.07346	2.2
95.04958	13.0
98.19707	1.2
103.05431	1.5
105.04498	3.8
105.07027	18.5
107.04944	2.9
107.08579	83.9
108.08902	2.8
109.01078	2.9
109.06506	6.5
117.06995	1.2
119.05991	1.6
119.08578	8.4
120.09345	2.6
133.10132	2.4
135.04404	8.7
135.08044	2.9
135.11671	46.4
136.02159	26.0
136.03905	1.1
136.05115	1.3
136.06161	6.4
136.07578	1.2
136.12029	1.5
143.24185	1.1
154.45293	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.01872	1.2
55.05483	0.1
56.96561	3.5
57.03434	2.9
58.99864	1.8
59.52161	0.2
60.52044	0.1
61.02903	0.6
65.96069	0.1
66.04685	0.2
66.52957	0.1
67.01839	0.2
67.02975	0.5
67.05480	0.2
68.52695	0.2
68.99796	0.3
69.03396	0.6
69.83038	0.1
70.99844	0.5
71.21477	0.3
73.02893	0.5
74.97579	0.2
75.01925	0.2
77.00900	1.4
78.00974	0.2
78.52965	0.8
79.02985	0.2
79.05465	0.5
79.52827	0.3
80.05000	0.2
80.25092	0.2
81.01875	0.2
81.03394	0.4
81.07050	0.4
82.01420	1.1
82.02671	0.2
83.04945	0.2
84.01566	0.2
84.99244	0.2
85.01405	0.4
85.02888	0.9
86.52686	0.2
87.00802	0.1
87.53484	0.7
89.00804	0.4
90.01533	0.3
90.04264	0.3
91.02419	0.4
91.05472	2.5
92.01279	0.4
92.02481	0.9
92.52707	0.3
93.07034	0.2
94.04073	4.8
94.99825	0.3
95.00758	0.2
95.01310	0.8
95.01948	0.5
95.06102	0.1
97.02882	0.3
97.99169	0.2
98.01274	0.3
98.97587	1.0
99.53481	0.2
100.02475	6.3
101.00875	1.2
101.02534	0.9
102.02233	0.9
103.00594	0.2
103.01364	0.2
103.02426	0.9
104.01240	0.3
105.00327	0.2
107.04929	0.2
108.08108	0.2
109.01093	0.2
109.05114	0.6
109.06552	0.2
109.07565	0.2
110.01220	0.2
110.02131	0.2
110.52737	0.2
110.97549	0.3
111.00236	0.5
112.05061	0.3
113.00859	4.8
113.01685	0.2
114.00982	0.3
114.04064	1.2
115.02425	0.6
116.98621	0.5
118.03521	4.3
118.06473	0.2
119.01917	5.1
119.03543	10.6
119.04934	0.7
120.01991	0.6
120.03231	0.3
121.01670	0.7
121.03490	0.5
122.03648	2.4
128.98599	0.3
131.01898	40.0
132.01981	2.9
132.05058	1.1
133.03436	1.0
134.02257	0.8
134.04825	0.2
134.99686	0.4
135.03293	0.2
136.02177	3.1
136.06177	100.0
137.03073	0.9
137.04576	7.6
137.05965	4.2
138.03098	0.3
141.05017	0.2
142.03491	0.6
143.01904	0.2
144.03262	0.2
144.99792	0.3
145.03470	0.5
146.99606	0.3
147.01390	0.4
147.04985	0.3
149.02951	12.2
150.03047	1.0
154.03477	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	136.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33105	0.3
53.03935	0.8
55.05495	1.2
55.71367	0.3
57.07066	2.2
58.95235	0.4
65.03939	0.7
66.04713	0.4
67.05500	4.9
69.07066	1.7
70.55940	1.2
70.76437	0.3
77.03909	0.5
78.04700	4.1
79.05067	0.5
79.05488	4.6
80.05822	0.5
80.06255	0.7
81.07051	16.0
89.03917	0.4
91.05470	3.6
92.05790	0.4
93.07057	1.7
94.04198	2.3
95.04954	1.0
95.08603	21.3
99.73936	0.3
106.04193	0.7
107.04930	1.2
107.08634	0.5
108.05277	0.3
109.01085	0.4
109.06499	0.9
109.10152	1.0
120.64416	0.3
121.02925	0.4
121.06528	0.7
122.03630	4.0
122.07290	1.0
124.05157	0.4
135.04404	100.0
136.02177	3.8
136.05228	32.5
136.06197	0.8
136.07396	0.6
137.06021	6.6
137.09596	0.8
137.13242	2.2
137.14847	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95502	0.5
52.93505	0.5
53.03934	1.0
55.05497	0.8
57.07057	1.8
62.10420	0.4
65.03939	1.0
67.05499	4.4
69.07035	1.0
69.23669	0.4
70.78715	1.2
70.79091	0.4
78.04689	3.5
79.05479	5.0
81.07044	13.3
85.64645	0.5
91.05464	3.5
92.05818	0.6
93.07032	1.5
94.04166	2.0
95.04969	1.2
95.08595	17.1
107.04931	1.0
109.10130	1.3
121.06472	0.6
122.03633	2.9
122.07243	0.7
135.04395	100.0
136.02200	3.5
136.05222	34.1
137.06024	4.4
137.09598	0.8
137.13226	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
57.07053	0.5
62.05132	0.3
65.03929	0.6
66.04710	0.9
67.05483	1.3
69.67282	2.5
71.27763	0.4
76.81033	0.4
77.78872	0.4
78.04706	3.3
79.05060	0.5
79.05483	5.0
80.05819	0.7
80.06255	0.7
81.03369	0.4
81.07049	2.7
87.53003	0.3
91.05475	4.9
92.05816	1.0
93.07034	1.0
94.04176	4.7
94.07358	0.7
95.04962	1.8
95.08590	1.9
105.04504	0.6
107.04911	1.2
107.22571	0.3
108.08891	0.7
109.01086	1.7
109.02930	0.3
109.06513	1.7
121.06482	0.3
122.03631	5.3
122.07268	1.0
135.04398	100.0
136.02161	15.2
136.05228	30.6
136.06192	2.9
136.07481	1.2
136.12048	0.5
137.00111	0.3
137.02379	1.2
137.05991	8.6
137.09590	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Adenine
Peak:m/z	Relative Intensity
53.03956	0.2
55.01878	0.9
55.03017	0.2
56.96556	2.2
57.03429	3.1
57.03666	0.3
58.99857	1.4
61.02925	0.7
65.03937	0.3
67.02992	0.6
67.05487	0.3
68.98299	0.2
69.03438	0.4
69.63413	0.2
70.99851	0.5
71.45213	0.2
71.46383	0.2
73.02927	0.3
77.00008	0.2
77.00893	1.4
78.01058	0.2
78.52959	1.1
79.05527	0.3
81.03422	0.3
81.07044	0.4
82.01421	1.5
83.00792	0.2
84.41045	0.2
84.99300	0.2
85.01408	0.4
85.02904	0.4
89.00861	0.4
91.05471	2.2
92.02496	0.8
94.04073	5.2
95.01364	0.5
95.01958	0.4
98.97572	0.5
100.02477	5.2
101.00858	1.5
101.02577	0.6
102.00972	0.3
102.02291	0.9
103.02442	0.9
103.05441	0.2
104.52668	0.8
105.00361	0.2
105.30695	0.2
109.03522	0.3
109.05145	0.6
111.85015	0.2
112.05075	0.5
112.07590	0.2
113.00853	4.8
114.00905	0.3
114.03310	0.5
114.04034	1.1
115.01241	0.2
115.02443	0.8
118.02052	0.3
118.03512	3.4
119.01907	4.5
119.03536	11.5
119.04958	0.7
120.00784	0.6
120.01989	0.4
120.03240	0.5
121.01669	0.6
121.03434	0.5
122.03646	2.9
123.03970	0.2
125.53151	0.4
125.54035	0.4
128.98608	0.2
131.01892	31.3
132.01984	3.3
132.05081	1.3
133.03482	0.9
133.05164	0.4
136.02197	1.2
136.06166	100.0
137.02980	0.5
137.04568	8.6
137.05956	4.9
138.03067	0.3
142.03462	0.6
143.01878	0.4
144.99806	0.3
145.03490	0.5
147.01376	0.4
147.04979	0.5
149.02940	9.0
150.03043	0.7
154.03499	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
53.03921	0.2
54.03442	0.2
55.01863	0.3
56.27523	0.1
56.96561	1.9
57.03409	0.4
58.99854	0.2
61.02878	0.2
61.76892	0.1
62.50710	0.1
65.03933	0.1
67.02963	0.4
67.05489	0.2
68.05017	0.2
69.03411	0.3
70.97516	0.4
73.02892	0.2
74.97567	0.2
77.01449	0.1
78.52933	0.2
78.67193	0.1
81.03403	0.3
81.04509	0.2
81.07033	0.2
82.04053	0.3
83.93788	0.2
85.02914	0.2
87.53461	0.2
91.05476	0.8
92.01209	0.1
92.02519	0.7
93.07008	0.2
94.04055	4.0
95.01328	0.2
95.04958	0.3
96.06870	0.3
97.02869	0.2
98.97580	0.2
100.02473	0.7
101.00870	0.2
102.02251	0.2
104.52658	0.3
109.05122	0.8
109.06527	0.2
109.07611	0.4
110.03495	0.2
110.06033	0.2
111.00214	0.2
112.05071	0.6
113.00868	0.3
114.03294	0.3
117.03981	0.4
118.03509	0.6
119.01987	0.7
119.03539	10.2
120.03938	0.3
122.03635	0.6
125.53223	0.2
125.54165	0.2
131.01895	4.0
132.01976	0.2
132.05045	0.2
135.05023	0.5
136.02187	2.1
136.06172	100.0
137.04585	9.0
137.05820	1.3
137.06584	1.5
138.04926	0.2
147.04997	0.3
149.02960	0.9
154.03522	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02377	0.7
53.03936	2.2
54.03449	0.5
55.01868	0.9
55.05508	0.5
55.67798	0.4
65.03925	2.2
66.04720	6.9
67.05482	2.2
69.03424	0.7
69.04535	1.0
70.54208	1.4
77.03921	1.2
79.05484	6.1
81.03402	0.8
81.04532	1.7
81.07040	4.5
83.06103	0.8
91.05473	6.4
93.07055	0.9
94.04178	50.0
95.04443	0.9
95.04988	2.3
95.08607	2.0
96.05637	0.7
97.06384	1.6
100.54082	0.4
105.03399	1.0
105.04531	0.6
107.04934	1.6
109.02877	0.6
109.06506	1.7
109.10130	0.5
110.07171	2.1
111.05547	1.5
119.04920	0.7
120.05566	0.7
122.03636	67.6
123.03988	1.8
135.04416	0.9
137.02422	1.4
137.05962	100.0
138.05403	0.7
138.06326	4.2
138.10217	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
52.68207	0.4
53.03936	1.1
54.03466	0.4
54.31629	0.4
55.01859	1.1
64.39207	0.4
64.60927	0.4
65.03932	2.1
66.04718	6.6
67.05492	1.9
67.50592	0.4
70.87528	1.3
77.03902	0.9
79.05486	6.0
81.03399	0.7
81.04561	1.1
81.07045	3.9
91.05470	9.7
91.06014	0.8
93.07026	1.2
94.04174	48.1
95.04453	0.8
95.04965	1.8
95.08588	1.8
97.06388	1.3
98.04771	0.5
105.03374	1.1
107.04944	2.0
109.06516	1.9
109.10117	0.5
110.07117	0.9
119.04966	1.3
119.08549	0.5
120.05418	0.6
122.03631	70.1
123.03953	2.6
135.04361	0.6
137.05959	100.0
137.09578	1.5
138.01790	0.5
138.05460	0.5
138.06322	4.4
138.10156	0.5
138.89848	0.4
140.15805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03933	1.1
55.01859	0.9
58.20849	0.8
65.03918	1.9
66.04716	6.4
67.05498	1.0
70.97704	2.2
79.05478	3.7
81.07047	2.3
91.05483	4.7
94.04175	49.0
95.04469	1.4
95.04987	1.4
105.03351	1.0
107.04982	1.5
113.13086	0.7
122.03636	67.2
123.03993	2.0
135.04411	0.8
137.05965	100.0
138.06311	3.4
145.48752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.07807	0.7
53.03941	5.2
55.01865	1.6
55.05504	1.2
57.07046	2.0
65.03919	2.6
66.04440	0.7
66.04717	7.9
67.05491	6.9
69.07053	1.8
70.65425	1.1
77.03931	1.6
79.05479	10.8
81.03376	1.3
81.06586	1.4
81.07048	20.2
87.07467	0.7
91.05482	9.7
93.07020	3.1
94.04177	55.9
95.04490	0.8
95.04975	7.0
95.08601	20.3
96.90334	0.6
105.03362	1.1
105.04509	1.1
107.04932	4.4
109.06474	5.5
109.10138	2.6
110.06068	0.8
111.98483	0.6
119.04951	1.0
121.65486	0.8
122.03635	73.8
122.07230	1.3
123.03963	2.7
137.02510	4.0
137.05963	100.0
137.09590	2.5
137.13217	1.9
138.01758	0.8
138.05434	1.7
138.06358	3.6
138.09090	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	Toluate
Peak:m/z	Relative Intensity
53.03948	0.6
56.33627	0.3
58.30476	0.4
61.07981	0.3
65.03936	7.3
65.55984	0.3
66.04733	0.4
67.05499	0.9
69.82525	2.2
75.89086	0.3
77.94138	0.4
79.05493	1.7
81.03404	0.4
81.04523	1.0
81.07040	3.6
83.06105	0.5
91.05474	100.0
92.05811	3.4
93.07045	0.8
94.04172	3.9
95.04966	0.7
95.08646	0.8
97.06392	0.8
99.78246	0.4
107.04965	0.6
109.06503	2.9
110.06000	0.5
110.07221	0.8
111.05547	0.8
119.04931	29.6
120.05322	1.5
122.03631	4.1
132.97597	0.3
137.02383	0.9
137.05965	31.9
137.08170	1.0
138.06366	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02398	0.7
53.03929	1.2
54.03466	0.4
55.01850	0.9
63.88670	0.4
65.03929	1.3
66.04712	7.2
67.05492	1.3
69.04560	0.5
70.77136	0.5
70.77491	1.3
77.03899	1.1
79.05481	4.6
80.05028	0.4
81.03378	0.9
81.04527	2.0
81.07044	3.7
84.99466	0.4
91.05475	5.4
93.07032	0.9
94.04173	51.2
95.04442	1.0
95.04961	1.9
95.08601	1.0
97.06398	1.1
107.04942	1.9
109.06494	1.5
110.07153	1.1
111.05492	0.8
119.04919	0.5
122.03632	71.5
123.03914	2.3
135.04372	0.7
137.05959	100.0
138.05388	0.7
138.06305	4.4
138.09181	0.6
138.10185	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03942	1.8
55.01864	0.9
55.05503	0.9
57.07081	0.7
60.74203	0.4
62.17896	0.4
65.03938	2.8
66.04717	7.2
67.05500	5.6
69.03426	0.7
69.07058	0.7
69.98949	0.7
69.99358	1.4
77.03960	0.6
79.05482	5.9
81.03433	1.1
81.04557	0.7
81.07046	7.6
91.05473	6.8
93.07043	1.8
94.04176	50.6
95.04457	0.7
95.04987	3.0
95.08599	9.2
97.06395	0.8
105.03332	1.0
105.04478	0.9
107.04932	2.0
109.06488	2.0
109.10140	1.5
110.06021	0.5
110.07183	0.7
118.07872	0.4
119.04901	1.1
119.08576	0.6
122.03638	67.8
122.07242	1.9
123.03971	2.4
135.04382	0.6
137.02420	1.3
137.05965	100.0
137.09477	2.7
137.13210	0.8
138.05482	0.6
138.06334	4.6
156.37802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
52.64264	0.7
53.03934	2.9
55.01862	1.7
55.05494	2.9
57.07079	3.8
65.03940	3.0
66.04716	8.9
67.05496	11.9
69.07048	2.6
71.14268	1.8
77.03909	1.5
79.05493	11.2
81.03422	1.6
81.07049	32.9
81.07527	1.6
82.07368	1.1
91.05478	9.3
93.07033	3.3
94.04179	53.5
94.06544	0.7
95.04453	0.9
95.05006	4.5
95.08601	36.4
96.08921	0.8
105.03333	0.7
107.04951	2.2
107.08606	0.8
109.06519	6.7
109.10165	3.7
110.01415	0.7
119.04923	1.0
122.03640	67.4
122.07227	1.4
123.03972	2.6
135.04437	0.7
137.02487	4.9
137.05965	100.0
137.09596	2.9
137.13231	2.8
138.01773	2.0
138.05449	2.0
138.06361	5.0
146.59563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02362	0.6
51.80476	0.6
53.03935	2.3
55.01859	1.2
55.05504	3.8
57.07060	1.3
57.57898	0.7
65.03939	3.5
66.04721	4.8
66.38756	0.6
67.05499	32.8
68.05833	0.6
69.03411	2.5
69.04552	0.8
69.07043	2.0
69.69580	4.1
69.84236	0.6
72.04506	0.9
75.61897	0.6
77.03919	0.9
79.05486	7.1
81.03407	1.7
81.04549	1.0
81.06583	1.2
81.07048	18.6
91.05475	19.4
92.05798	0.9
93.07034	5.7
94.04179	38.0
94.07811	1.9
95.04478	0.6
95.04984	5.0
95.08595	15.6
95.09169	1.0
96.05614	0.9
97.06382	2.2
103.05468	1.6
104.06230	1.3
105.03397	0.6
105.04495	1.1
107.04945	25.1
107.08601	1.7
108.05269	1.1
108.08170	0.6
109.06495	3.5
109.10146	35.2
110.07143	1.8
110.10452	1.6
117.06999	2.2
119.04987	0.7
119.08572	16.0
120.08906	0.8
121.06498	8.5
122.03641	50.6
122.07275	100.0
123.03974	1.7
123.07584	3.8
135.04399	0.9
135.08028	4.9
137.02502	3.3
137.03641	0.9
137.05969	78.9
137.09601	92.6
138.01678	0.8
138.05434	1.2
138.06345	4.0
138.09003	0.9
138.09930	4.2
148.46759	0.6
159.03195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02364	0.9
53.03939	3.3
54.03474	0.8
55.01856	2.0
55.05500	4.4
57.03430	0.7
57.07072	5.7
58.40761	0.5
65.03934	4.2
66.04716	5.9
67.05495	31.6
67.65327	0.5
69.03424	3.1
69.04549	1.4
69.07057	4.9
70.21407	2.4
72.04501	0.7
75.85150	0.5
77.03895	0.8
79.05483	12.4
80.04978	0.7
81.03396	1.9
81.04516	2.8
81.07045	33.2
82.06562	1.7
82.07367	0.7
83.04897	0.5
91.05468	24.1
92.05819	1.1
93.03374	0.6
93.07034	8.2
94.04173	45.0
94.06552	1.2
94.07814	1.0
95.04558	0.8
95.04988	6.3
95.06078	1.2
95.08595	51.2
96.04463	3.7
96.05627	1.3
96.08941	1.2
97.06387	7.2
97.07669	0.7
98.04804	0.8
103.05425	1.4
104.06216	1.2
105.04491	1.2
107.04941	16.9
107.08557	1.7
109.02850	0.8
109.06493	5.6
109.10140	27.0
110.06026	1.6
110.07163	5.1
110.10496	0.6
111.05547	1.5
117.06941	1.5
117.07755	0.5
119.04935	3.3
119.08572	10.8
120.05540	0.7
121.06493	5.9
121.07325	0.8
122.03634	65.8
122.07269	64.8
123.03927	2.5
123.07599	2.1
133.92308	0.5
135.04456	0.9
135.08038	2.5
137.02472	6.3
137.05960	100.0
137.09598	59.0
137.13182	5.5
138.01744	0.9
138.05377	3.6
138.06335	5.9
138.09077	1.4
138.09984	3.2
155.28078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
53.03946	1.5
55.05508	5.9
57.07072	10.7
65.03939	1.2
66.04741	0.4
67.05501	26.3
68.05842	0.9
69.07065	7.5
70.92038	0.9
70.92413	0.8
71.08617	0.7
79.05061	0.8
79.05485	8.3
79.05916	0.7
81.07050	71.0
82.07372	2.6
91.05470	2.1
93.07043	6.2
94.04170	2.8
95.04949	1.2
95.08601	100.0
96.08928	3.6
107.08594	1.5
108.09380	1.1
109.06497	0.5
109.09473	0.5
109.10155	6.1
122.03627	3.6
134.54417	0.4
137.05960	5.2
137.09618	0.6
137.13248	8.8
138.05431	0.8
138.13602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03931	2.6
55.05511	5.5
55.41467	0.7
57.07070	10.3
65.03920	0.7
67.05498	28.0
68.05814	0.8
69.07063	6.6
70.84046	0.8
70.84374	1.5
73.05335	0.6
79.05486	8.1
80.06257	0.8
81.07047	70.9
82.07379	2.3
91.05520	0.7
93.07028	4.9
95.04963	9.2
95.08598	100.0
96.08914	4.4
101.20029	0.6
108.09346	0.7
109.10149	5.6
122.10913	0.7
123.04409	6.8
137.13255	9.8
138.06763	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
53.03941	2.1
53.48600	0.7
55.01864	1.4
55.05506	6.6
57.07072	11.2
62.88575	0.8
65.03931	3.0
66.04724	4.0
67.05503	30.5
69.07059	7.5
70.77597	2.2
70.77945	1.4
79.05486	11.5
80.06317	1.0
81.03413	1.3
81.07053	67.7
82.07386	2.0
91.05470	5.7
91.10159	0.7
92.05025	0.9
93.07040	8.2
94.04182	20.3
95.04974	3.2
95.08602	100.0
96.08946	4.2
98.20872	0.9
103.39307	0.7
107.04990	0.9
109.06494	3.7
109.10147	8.0
110.06025	1.5
119.04928	1.6
120.04487	0.7
122.02744	1.4
122.03642	28.4
122.07227	1.1
123.03954	0.9
137.02477	4.2
137.05972	41.3
137.09598	2.1
137.13254	10.2
138.05469	2.5
138.06355	2.1
138.09131	1.4
138.13596	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03943	2.8
55.01865	7.9
55.05512	3.4
56.05015	1.3
59.04973	0.9
65.03933	21.9
67.01859	6.0
67.05494	7.7
68.99442	0.8
68.99784	14.7
69.03418	3.9
69.07068	0.7
70.00134	0.6
70.06571	0.7
70.99799	1.5
71.01341	2.9
77.03888	0.6
83.04972	10.5
83.06068	0.8
89.46809	0.5
93.03394	16.0
93.06952	0.6
95.04967	3.8
95.06055	0.8
96.05703	0.6
97.02890	3.9
97.06496	0.8
98.07171	1.5
98.97590	2.9
99.00812	1.1
108.05724	0.6
111.04432	33.6
112.04782	1.1
116.98608	2.2
121.02874	2.5
121.03989	0.7
121.10130	0.7
122.07146	1.3
124.05200	1.7
125.02383	0.8
128.71709	0.5
134.99644	1.3
139.03888	100.0
139.07544	2.0
140.04260	4.2
140.08150	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03940	2.3
55.01867	7.1
55.05497	3.4
65.03930	15.2
66.04275	0.4
67.01854	5.3
67.05493	6.9
68.99780	11.9
69.03429	2.1
70.68147	0.5
70.68467	1.0
71.01335	1.8
83.04972	7.9
93.03388	11.2
93.03970	0.6
95.04957	1.5
97.02873	2.8
98.97582	0.9
99.00791	0.8
111.04425	27.2
112.04742	0.9
121.02840	1.8
121.03966	0.8
124.05238	0.5
130.36568	0.5
131.20128	0.5
139.03880	100.0
140.04213	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	139.0752
Annotation	1,4-Dimethoxy benzene
Peak:m/z	Relative Intensity
53.03944	11.9
55.01859	1.5
55.05511	1.5
56.96542	4.8
65.03938	7.5
66.04713	3.9
67.05491	6.8
68.99816	1.5
70.97709	3.8
73.05771	1.6
77.03931	2.5
77.64652	1.2
78.04717	7.2
79.05484	11.1
81.03407	10.1
81.07032	2.3
83.04967	2.7
92.02613	6.7
93.03419	2.5
94.04183	18.8
95.04958	28.0
96.05264	5.7
96.05769	39.5
98.97580	4.6
98.98463	2.1
104.00549	1.4
105.04501	3.5
107.04962	6.9
108.05730	47.7
109.02882	12.8
109.06551	9.2
111.04408	9.4
116.97266	1.8
116.98622	3.8
124.05217	91.2
125.05948	7.0
134.99667	2.4
135.05547	2.0
139.03940	7.4
139.07536	100.0
140.07881	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	139.0753
Annotation	1,2-Dimethoxybenzene
Peak:m/z	Relative Intensity
53.03942	11.3
62.94186	1.4
66.04716	3.0
67.05495	4.9
67.15329	1.6
69.56622	1.4
69.86694	8.7
78.04696	6.3
79.05495	8.5
80.11543	1.4
81.03422	7.8
81.07037	1.9
83.21163	1.8
91.22441	1.4
92.02650	8.0
92.03139	1.6
94.04183	16.9
95.04965	17.7
96.05744	38.9
97.06077	1.9
105.04524	3.7
108.05730	45.9
109.02877	11.9
109.06542	9.2
111.04414	1.8
111.60374	1.6
124.05205	84.3
125.06047	9.5
135.05496	2.2
139.03929	1.8
139.07530	100.0
140.07848	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	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96296	2.0
56.96558	26.0
70.09229	3.6
70.09641	1.8
71.95245	3.3
73.54614	1.0
94.13737	1.1
98.97578	100.0
99.97863	1.3
116.98611	90.4
117.61755	1.0
134.99641	49.1
140.00171	2.1
153.00717	7.2
158.01219	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	140.0704
Annotation	Gabaculine
Peak:m/z	Relative Intensity
51.02359	2.1
53.03938	22.0
53.33683	1.3
54.03463	11.4
54.04269	2.6
55.01855	5.5
55.05494	3.1
56.03769	3.7
56.05032	27.2
56.96561	13.8
57.03406	1.5
57.04543	4.6
57.07062	1.6
57.93553	4.8
58.02946	4.8
58.06596	2.7
59.03735	2.1
59.06114	8.5
60.04505	1.6
65.03928	4.6
66.04263	3.2
67.01849	1.9
67.02986	2.6
67.05497	52.1
68.05019	7.5
69.03422	2.5
69.04536	4.0
69.07069	7.9
70.06586	9.3
71.04963	2.4
71.06097	7.5
71.52454	1.6
71.95257	4.0
72.04510	2.9
74.93923	1.4
77.03916	2.3
81.03428	7.1
81.04522	8.2
81.07061	2.9
82.02921	5.8
82.06572	4.3
83.06088	17.3
84.04501	8.2
84.08127	10.7
85.07665	2.5
93.05774	13.6
94.03753	1.3
94.06557	59.2
95.01331	1.6
95.04363	3.1
95.04958	54.7
95.06084	13.9
95.06734	2.0
95.08588	7.6
96.04485	6.3
96.05631	16.9
97.02864	7.5
97.05300	2.1
97.06371	7.8
97.07655	2.8
98.06087	3.0
98.07166	25.8
98.97562	29.7
99.05564	16.7
99.08076	1.7
100.06365	2.1
105.04490	9.8
105.44096	1.5
109.02873	3.2
111.04413	2.0
112.03955	3.6
112.04773	7.4
112.07593	18.2
112.08741	1.7
113.02372	5.0
113.06011	4.8
113.07105	11.6
116.97284	7.5
116.98598	34.9
122.06020	100.0
122.07110	15.1
123.04457	5.5
123.05540	26.2
123.06332	3.3
123.09208	2.8
125.02336	17.5
126.03085	2.4
134.99637	25.6
140.03345	2.5
140.04214	12.7
140.07045	47.2
140.08170	44.2
141.01814	8.5
141.05453	10.7
141.06595	6.2
141.11325	1.5
148.75798	1.5
153.00688	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	141.0544
Annotation	5-Methoxyresorcinol
Peak:m/z	Relative Intensity
53.03939	3.2
55.01855	0.7
55.05489	0.7
56.05031	0.6
59.06135	0.4
62.74581	0.3
63.79604	0.4
65.03931	1.8
67.01852	4.0
67.05498	2.0
68.99780	5.8
69.03415	0.5
70.64304	0.8
70.64668	0.9
71.04970	0.7
73.06528	1.0
81.03407	26.6
82.03741	0.6
83.06091	0.6
85.02898	2.9
85.06540	0.7
95.04956	8.0
98.03662	18.1
99.04433	1.1
108.02113	2.3
109.02872	13.7
111.00793	0.4
111.04433	0.6
113.02341	0.8
113.05984	6.3
123.04425	4.4
126.03122	18.3
127.03922	7.4
141.05443	100.0
142.05794	3.2
142.09879	0.5
144.22617	0.4
150.70708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	4.4
57.03421	3.3
58.96166	2.1
58.99842	2.7
69.35779	12.3
69.36182	3.7
70.99850	4.5
72.73634	1.4
73.02894	2.1
75.35455	1.5
77.00888	2.9
78.52448	1.7
81.03408	2.0
81.04519	6.8
82.99829	2.3
88.02635	2.3
89.00853	3.1
93.67204	1.5
94.51677	1.7
95.06050	2.5
98.21523	2.8
98.97574	4.8
100.02488	3.7
100.30502	1.9
101.00867	31.9
110.54518	2.4
113.03439	7.9
113.53229	1.8
115.53699	3.1
118.03508	2.4
119.01903	100.0
122.03924	1.8
124.02473	1.8
124.54204	12.3
125.04363	3.0
125.07082	2.1
126.60006	1.5
136.04575	2.4
137.02948	25.8
142.03470	13.8
143.01869	3.1
143.03415	5.5
155.40048	1.5
160.04523	4.2
161.02881	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	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56522	3.4
56.22331	3.1
65.32799	3.6
69.30625	9.7
69.31036	26.6
100.02488	4.9
101.00878	26.4
118.03472	8.7
119.01914	100.0
124.54223	14.1
136.04553	7.8
136.75491	3.6
137.02942	30.6
142.03491	19.7
160.04512	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
56.96555	4.8
58.99855	2.3
69.79301	4.8
70.99854	1.8
77.00901	1.7
82.99841	1.4
91.02498	0.8
98.97572	1.6
100.02476	4.5
100.03046	0.9
100.97175	2.4
100.97992	1.5
101.00873	22.3
101.95022	1.1
103.05424	1.5
104.02892	2.1
104.52746	0.9
110.54496	1.2
113.03457	6.0
113.53492	1.0
114.03419	1.0
115.02445	0.9
115.53710	3.5
116.03812	0.9
118.03499	6.1
118.98266	1.6
119.01911	100.0
120.01998	2.4
121.02269	1.6
124.02389	1.0
124.54211	10.7
125.04323	2.0
131.01924	1.3
131.04893	1.1
132.05273	0.8
133.03476	1.7
136.04515	5.0
137.02945	33.2
138.02994	1.1
142.03490	13.0
143.01888	1.6
143.03432	5.5
160.04538	6.9
161.02959	3.4
161.04828	0.9
162.49866	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25480	0.3
54.03450	0.6
55.01859	0.9
56.96540	1.0
57.03434	2.9
58.06583	1.0
58.99862	4.1
59.99944	0.3
60.04520	0.8
60.08123	0.4
61.02916	0.5
68.02631	0.6
69.03412	3.1
69.04543	0.4
70.99847	4.6
71.22543	0.6
73.02898	0.8
77.00902	6.3
78.52951	0.5
79.51895	0.4
81.03432	1.4
81.04532	38.9
82.01424	0.6
82.05292	0.7
82.99819	1.0
83.01294	0.4
83.06089	0.9
84.08138	0.6
85.02895	3.1
85.47803	0.3
86.03654	0.8
86.99296	0.4
88.02681	0.5
89.00887	2.8
93.53468	0.6
95.01933	2.2
95.06081	18.7
96.06414	0.4
97.02867	1.9
98.01360	0.5
98.06063	0.6
99.05569	1.1
99.53426	0.5
100.00060	0.3
100.02483	2.4
101.00870	24.8
101.02546	0.6
102.00948	1.4
102.09164	0.5
103.02442	0.9
104.52649	0.4
107.01900	0.9
109.02866	1.0
110.01392	1.6
111.00781	0.5
113.53219	1.0
114.03262	0.4
115.02421	0.7
116.03707	0.4
116.98537	0.4
118.01148	0.9
118.03526	1.9
119.01906	100.0
120.01986	7.4
121.01619	0.5
121.02420	0.4
121.03458	0.8
122.53706	0.3
124.02441	0.9
125.02341	1.9
125.04310	1.2
125.07101	11.8
130.33891	0.3
131.01894	1.2
131.54233	0.5
133.03445	0.9
137.02940	22.0
138.03033	1.9
138.03998	0.3
141.02669	1.2
142.03487	5.3
143.01909	2.7
143.03391	18.2
143.08130	6.2
143.11769	1.7
144.03755	0.6
144.06561	1.2
144.10196	2.8
149.03020	0.4
160.04601	0.9
161.02939	6.1
162.03200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03469	0.4
55.01851	0.8
56.96556	2.4
57.03428	3.4
58.06581	1.2
58.99857	4.4
60.04513	0.4
61.02912	0.5
68.02629	0.9
68.05027	1.0
69.03426	2.4
69.04539	0.7
69.71648	2.3
70.99855	5.0
71.01324	0.6
73.02894	1.1
77.00900	5.2
78.52962	0.7
78.56915	0.5
79.51924	0.8
79.57860	0.5
80.05010	0.6
81.03416	1.7
81.04533	37.8
82.01446	0.5
82.04865	0.9
82.05309	0.7
82.99834	1.1
83.06107	1.3
84.08131	1.4
85.02897	3.5
85.53725	0.5
86.03683	1.2
88.02677	1.1
89.00888	3.7
93.01888	0.4
93.53465	0.9
95.01930	2.6
95.06078	19.9
97.02898	1.9
98.01313	0.5
98.97597	0.9
99.05585	0.6
99.53410	0.6
100.02478	3.4
101.00869	27.1
102.00957	1.3
102.02348	0.6
103.02421	1.1
103.20273	0.4
107.01921	0.8
107.06102	0.5
109.02862	1.1
110.01418	0.7
113.00867	0.4
113.53185	1.1
114.03318	0.9
116.98589	0.7
118.01135	1.2
118.03527	1.8
119.01909	100.0
120.01991	7.3
120.97935	0.4
121.02368	0.5
121.03481	1.3
122.53748	0.4
124.02439	0.8
125.02331	2.1
125.04305	0.9
125.07107	15.2
125.08050	0.7
125.54115	0.7
131.01898	1.8
131.92575	0.5
133.03499	0.6
137.02948	21.7
138.03090	1.6
140.54759	0.6
141.02698	0.8
142.03503	4.0
143.01900	3.7
143.03392	14.6
143.08130	7.1
143.11804	0.8
144.06595	0.6
144.10193	5.8
157.03444	0.5
160.04587	0.6
161.02943	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	143.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01865	2.4
55.05506	6.4
56.56460	0.5
57.07064	5.0
59.04985	2.1
60.04520	0.6
65.03947	0.6
67.05485	2.9
69.03424	13.2
69.07050	0.9
71.01332	1.0
71.04987	26.5
71.52219	1.1
72.05299	0.8
73.06551	3.1
79.05474	1.2
83.04980	4.1
83.08602	2.3
84.04494	0.9
85.02894	2.3
85.06532	10.9
97.02883	10.1
97.06490	1.3
97.10168	3.3
98.03252	0.8
98.06042	2.4
105.06967	0.7
107.08585	6.5
111.07896	1.2
115.05397	3.1
119.01906	2.9
119.20811	0.7
125.02342	8.9
125.09653	3.6
126.05518	0.7
128.06203	9.8
139.01834	1.3
143.03381	100.0
143.08531	2.2
143.10654	1.2
144.03720	4.2
144.04646	0.8
144.06549	1.6
144.07961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
55.01854	2.0
57.03416	1.6
62.92985	4.0
67.05501	1.2
69.03419	3.0
69.22433	4.2
69.22843	2.1
71.01360	1.2
71.04993	8.5
74.45376	0.6
79.05470	1.7
79.40123	0.6
81.03423	3.3
82.06571	5.3
85.02905	6.3
91.05471	11.4
95.04939	1.0
97.02882	2.5
99.04451	23.2
100.07612	11.6
102.04698	0.8
103.05462	4.7
105.07025	77.1
106.07362	2.1
111.32620	0.6
115.03931	1.1
115.05438	8.1
116.06233	2.8
117.07016	25.5
118.06547	1.0
118.07329	0.8
118.08633	0.6
121.96637	6.1
127.03916	4.5
128.06197	5.6
129.06995	8.9
130.07779	39.6
131.04930	3.3
131.08119	1.4
143.08562	10.2
144.98253	0.7
145.04967	2.2
145.06454	2.0
145.10115	100.0
146.06064	1.4
146.07132	1.5
146.08156	1.5
146.10425	4.5
155.06039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
58.94637	0.4
65.03934	2.7
69.43018	4.0
69.43411	0.7
71.04979	1.0
75.38114	0.5
77.03944	0.5
82.06578	2.0
83.04987	0.5
91.05476	41.7
95.04932	0.6
98.20749	0.6
100.07612	4.7
103.05459	79.1
104.05763	3.2
105.07023	2.0
107.04946	1.4
115.05445	4.3
116.06297	3.4
117.07016	3.0
118.06564	1.1
119.04933	29.1
119.08546	2.9
119.19781	0.6
131.04916	100.0
131.38197	0.5
132.05185	3.9
145.06468	1.9
146.06050	2.2
146.07243	46.3
147.04398	16.0
147.08093	3.9
147.11580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.8
53.03933	1.5
55.05487	2.0
64.92797	1.1
65.03919	4.2
67.04190	0.7
67.05505	1.3
69.03427	0.9
69.43311	6.0
71.04982	0.6
72.08137	1.5
77.03922	0.8
79.05474	2.0
81.07029	0.8
82.06569	26.6
86.06062	0.8
91.05469	65.2
93.07034	1.3
94.56570	0.7
95.04959	0.8
99.04449	1.3
100.04767	2.3
100.07605	49.4
101.07956	0.7
102.04736	0.8
103.05455	88.8
104.05779	2.7
105.07016	16.9
106.07362	1.1
107.04938	1.6
110.06042	0.6
115.05429	5.7
116.06293	3.4
117.07015	4.8
118.04128	1.5
118.06512	3.5
118.07331	1.8
118.34829	0.7
119.04928	36.3
119.08571	17.6
119.09445	0.8
123.96427	2.6
128.06181	0.7
128.07071	1.3
129.06990	0.8
131.04913	100.0
132.05309	4.1
133.06467	0.7
145.06450	3.4
145.10110	1.5
146.05994	4.8
146.07239	42.3
146.08145	6.8
146.10446	2.7
147.04396	19.5
147.05418	0.9
147.08078	7.9
147.11647	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	146.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
53.03941	0.9
55.01866	1.0
55.05508	0.9
63.02382	0.5
64.92808	1.3
65.03938	5.0
69.03409	0.6
70.41373	0.9
70.41782	1.4
72.08133	0.5
77.03923	0.6
78.04713	2.0
79.05489	4.2
81.03401	0.6
82.06572	13.4
85.02931	0.5
91.05472	100.0
92.05820	0.7
93.07047	1.2
95.04953	1.4
100.04778	1.1
100.07609	25.7
101.07936	1.1
103.05454	64.8
104.05644	0.8
104.06305	7.0
105.03373	0.6
105.07021	10.3
106.07375	0.9
107.04218	0.6
107.04940	11.8
107.05628	1.0
110.55606	0.5
115.05442	21.7
116.06330	4.1
117.05750	0.8
117.07011	16.3
117.07843	0.9
118.04152	1.0
118.06512	3.1
118.07359	1.7
119.04931	21.1
119.08564	22.1
123.96363	1.1
128.05023	0.7
128.06190	2.4
128.07063	1.2
129.06978	3.3
131.04915	81.2
132.05753	15.0
135.08002	3.2
140.63611	0.5
145.06488	7.9
145.07568	0.6
146.05997	2.8
146.07207	34.6
146.08095	3.0
146.10416	1.4
147.04416	12.1
147.08034	49.2
147.11656	3.9
155.06023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01871	0.8
55.05509	1.0
56.05028	1.2
56.96552	2.4
57.03427	3.1
58.06598	0.8
58.99863	0.4
60.05644	5.0
60.08157	36.6
61.02917	0.9
61.08497	0.7
65.03963	0.3
67.05527	0.3
68.04990	0.3
69.03423	6.7
70.03753	0.5
70.12925	1.3
71.01356	0.3
71.04983	1.2
72.02295	0.3
72.08163	1.4
73.02913	2.2
73.06545	0.4
74.02925	0.6
74.06090	0.4
75.38987	0.3
77.00906	0.4
80.02894	0.3
81.01894	0.3
81.03413	3.2
82.06573	3.1
83.01314	0.5
83.03456	1.9
83.04967	1.3
83.06099	0.7
83.53533	0.5
84.04501	5.3
84.08132	1.5
85.01405	0.5
85.02895	3.9
86.03231	0.6
86.06059	13.3
87.04459	100.0
88.02665	0.5
88.04796	2.4
91.03965	0.3
91.05483	2.4
92.03975	0.9
93.03749	0.4
95.03448	1.5
95.53445	0.4
97.02882	7.6
98.03233	0.5
98.97585	2.1
99.04427	0.9
100.07610	7.7
101.00860	1.1
101.01651	0.3
101.03443	0.7
101.06013	0.4
102.02309	0.5
102.04214	2.3
102.54320	0.4
103.02456	1.9
104.03965	1.3
104.07099	2.1
105.02176	1.0
108.04230	0.6
109.02888	1.1
110.03979	0.6
110.06037	0.3
110.54183	0.3
111.02931	1.1
111.04856	0.4
111.05534	1.7
115.02413	1.2
116.98611	1.0
117.03993	1.7
117.04675	0.3
119.01905	2.4
119.03586	0.3
119.04963	2.4
120.01947	0.4
120.03369	0.3
121.01657	0.9
121.03461	1.9
122.03564	0.3
123.03190	0.5
127.03918	0.3
128.07141	0.6
128.08185	1.2
129.03952	1.4
130.04974	1.9
131.01921	1.7
133.03436	1.2
134.99684	0.7
135.03294	0.4
135.05020	1.5
137.02898	0.4
143.01892	0.4
145.03439	1.1
146.04961	0.3
146.06000	0.7
146.08092	2.4
146.09233	8.1
146.11742	24.1
147.05040	15.8
147.12059	1.0
148.05122	2.3
149.01155	0.4
149.02972	0.4
149.04680	1.5
155.05435	0.5
157.03436	0.4
159.05069	0.4
161.02927	0.7
163.02498	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03955	0.4
55.05510	1.3
65.03939	10.2
69.07080	0.7
71.44218	0.7
79.05484	0.6
91.05476	100.0
92.05815	2.5
105.07025	8.7
107.04929	0.6
117.07024	1.2
119.04935	91.8
119.08575	10.8
120.05268	2.0
132.09396	0.5
145.10083	0.8
147.04405	38.3
147.08060	1.7
147.11667	4.6
148.04721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.20837	0.4
50.31866	0.3
60.52138	0.3
65.03931	11.6
65.28786	0.3
70.06735	1.8
74.05214	0.3
74.57840	0.3
75.06499	0.3
75.98621	0.3
88.49982	0.3
91.05472	100.0
92.05804	2.8
95.04979	0.5
105.07015	1.0
116.51913	0.4
119.04929	90.2
119.08592	1.1
120.05245	2.4
123.14731	0.4
147.04390	33.8
147.11690	0.7
148.04768	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.57250	0.4
53.03923	0.5
53.59548	0.3
54.13995	0.3
65.03934	12.2
67.12058	0.3
68.54661	0.4
69.69880	2.5
75.43517	0.4
77.03918	0.4
91.05470	100.0
92.05817	2.3
92.06319	0.4
95.04930	1.0
105.07027	0.9
110.20732	0.4
119.04925	90.1
119.08546	1.1
120.05256	3.0
147.04388	30.3
147.11734	0.5
148.04750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21389	0.5
65.03937	10.1
67.36779	0.4
69.54189	2.0
69.54617	1.6
91.05473	100.0
92.05820	1.8
103.43597	0.5
105.07012	0.9
117.73617	0.5
119.04929	89.8
119.08577	1.5
120.05242	2.7
127.19281	0.4
147.04393	31.9
147.11618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.02364	0.6
55.60003	0.4
58.83293	0.4
59.08740	0.4
65.03929	12.0
69.60767	1.4
69.61192	1.6
91.05470	100.0
92.05813	2.9
95.04963	0.4
98.21481	0.8
105.06985	0.5
107.01974	0.4
113.39644	0.4
119.04926	85.5
119.08573	1.3
120.05254	2.7
147.04388	31.6
147.11711	0.7
148.04666	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	12.3
65.04281	0.6
74.85756	0.4
75.02319	0.3
79.05467	0.4
89.64420	0.4
91.05469	100.0
92.05806	1.8
105.07014	2.4
106.83863	0.4
107.04920	0.4
115.05408	0.8
117.07010	0.8
119.04925	84.9
119.08544	2.3
120.05270	2.9
130.65674	0.4
137.17453	0.4
147.04390	30.6
147.08018	2.4
147.11679	0.7
148.04709	1.2
166.92892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
53.03919	0.3
53.22934	0.3
65.03932	11.4
69.54323	2.5
79.05470	0.4
82.47009	0.3
91.05471	100.0
92.05814	3.0
95.04926	0.5
102.02677	0.3
102.41400	0.3
105.07023	1.3
107.04944	0.4
115.05457	0.5
117.06996	1.0
119.04928	86.7
119.08506	1.5
120.05238	2.2
123.96499	0.3
147.04395	32.5
147.07994	2.2
147.11687	1.1
148.04749	1.2
154.00816	0.3
158.85728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0803
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
51.65400	0.8
53.03936	1.6
54.06589	0.6
54.40272	0.7
55.01867	0.9
55.05505	3.3
55.98595	0.7
58.07937	0.6
60.28571	0.8
64.92787	0.8
65.03931	2.0
67.05495	3.6
69.03422	0.7
69.07040	0.9
69.31362	3.9
69.31786	2.3
73.33415	0.6
76.68478	0.7
77.57540	0.7
78.04697	2.2
79.05479	8.1
81.07044	1.8
87.99183	0.7
89.03899	0.8
91.05466	100.0
92.05801	2.6
93.07030	3.2
95.04929	1.8
98.21490	1.0
103.05439	4.9
104.06239	10.3
105.07016	48.5
106.97578	0.7
107.04938	16.4
107.08566	1.2
107.30465	0.7
108.44705	0.7
115.05434	24.3
116.06281	3.2
117.06995	25.3
119.04916	7.8
119.08562	40.0
120.08897	1.5
121.06484	1.3
123.96441	1.2
128.06209	2.2
129.06972	3.4
131.04930	3.9
132.05690	19.0
132.09312	1.8
133.06506	4.9
135.07994	3.8
143.06075	0.8
145.06458	1.3
145.10062	1.9
146.06810	0.6
147.04477	3.2
147.08023	61.5
147.11662	19.2
148.08618	3.3
152.65254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
51.02386	0.5
53.03942	1.4
55.05509	11.5
57.47836	0.5
65.03927	2.4
67.05498	2.1
69.07057	2.3
70.54776	2.0
79.05494	6.1
81.07040	1.6
89.35797	0.6
91.05472	35.5
92.05821	1.5
93.07026	2.3
103.05471	2.8
105.07021	100.0
106.07333	5.3
107.08562	2.0
115.05424	1.1
117.07018	6.3
118.87267	0.6
119.04928	12.5
119.08570	66.5
120.08907	3.2
129.06941	0.8
130.07774	0.7
131.08569	0.9
132.09343	2.1
145.10123	5.6
147.04411	5.9
147.05551	0.8
147.08022	1.8
147.11673	50.0
148.11992	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	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03927	1.3
55.05503	9.7
64.92764	0.7
65.03937	0.9
66.60719	0.8
67.05496	4.0
69.07049	2.6
70.16784	2.8
79.05486	10.3
81.07037	2.9
83.96203	0.8
90.51743	0.7
91.05473	37.7
92.05784	1.1
93.07021	3.8
95.04982	1.3
103.05460	3.4
105.07023	100.0
106.07335	3.7
107.08572	2.9
115.05495	1.2
116.06333	0.8
117.06989	9.9
119.04939	4.6
119.08572	63.0
120.08885	3.1
123.96438	1.2
129.07022	0.8
131.08533	1.2
132.09361	4.0
145.10091	3.4
147.04385	2.7
147.08052	1.5
147.11676	41.2
148.12006	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Viridiene
Peak:m/z	Relative Intensity
51.30068	1.0
53.03931	1.9
53.15186	1.0
55.05511	7.9
63.98445	1.1
65.03928	1.8
67.05503	15.8
69.07047	3.0
70.88072	1.8
79.05084	1.3
79.05491	16.0
81.07053	11.7
86.95893	1.0
91.05474	57.4
92.05807	2.6
93.07041	7.0
95.04968	1.1
103.05443	3.5
105.07022	100.0
106.07353	3.9
107.08575	1.1
117.07009	10.1
119.08571	56.3
120.08881	3.2
122.29086	0.9
129.06958	1.0
131.08505	1.5
132.09338	3.0
145.10130	4.6
147.11673	35.2
148.11995	2.6
161.26817	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03933	2.7
55.05313	1.1
55.05507	12.3
65.03930	1.8
67.05487	5.4
69.07066	5.3
69.38309	9.0
72.51280	1.1
79.05498	8.3
81.07036	2.3
83.40182	1.0
84.04617	1.0
91.05476	48.3
93.07046	3.1
95.04969	1.8
98.21262	4.4
103.05465	3.8
105.07024	99.8
106.07348	4.9
107.08577	2.0
115.05483	1.3
117.07023	12.1
119.04935	4.3
119.08575	100.0
120.08920	5.6
131.08572	1.2
132.09343	3.2
145.10139	7.4
147.04402	2.2
147.08162	1.1
147.10498	2.4
147.11679	50.0
148.12035	3.0
150.76672	1.1
152.36169	1.1
157.60674	1.3
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	Viridiene
Peak:m/z	Relative Intensity
53.03935	2.1
55.05505	6.3
64.92785	3.1
65.03931	5.3
67.05496	18.4
69.07054	3.2
71.00327	2.1
74.49276	0.8
79.05484	13.3
80.95640	0.8
81.07049	10.2
84.04478	1.3
91.05470	100.0
92.05801	5.5
93.07027	7.7
95.04942	2.3
96.51883	1.0
101.07936	2.1
103.05461	5.6
104.05767	2.9
105.07017	82.4
106.07360	3.5
107.04937	2.9
107.08544	1.9
115.05447	5.0
116.06165	1.0
117.07018	10.8
119.04927	30.1
119.08565	53.5
120.04445	1.0
120.05245	2.0
120.08103	0.9
120.08899	3.2
123.96442	2.6
127.08038	0.9
129.06946	2.3
131.04958	1.0
131.08568	1.0
132.05119	4.3
132.09299	2.1
145.10088	3.3
147.04399	16.7
147.05472	1.3
147.08035	11.6
147.10503	1.6
147.11673	32.0
148.03864	1.6
148.04924	1.0
148.12062	1.6
166.21144	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.6
53.41074	0.7
54.24319	0.7
55.05507	11.1
65.03928	1.9
65.88383	0.8
67.05500	6.2
69.07045	3.0
70.77956	1.6
79.05489	13.3
81.07050	5.8
90.17255	0.9
91.05473	53.6
92.05807	2.5
93.07040	5.5
95.04975	1.6
101.07891	1.3
103.05441	5.1
105.07021	100.0
106.07313	4.0
107.04955	1.0
107.08578	3.4
115.05409	1.6
117.06999	10.6
119.04948	7.1
119.08570	68.1
119.94855	0.8
120.08868	3.1
123.96453	1.4
130.07759	1.0
131.08514	1.5
132.05751	0.9
132.09322	3.3
145.10146	5.9
147.04381	5.4
147.08105	2.1
147.11670	48.0
148.05191	1.2
148.12032	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	148.0603
Annotation	Glutamate
Peak:m/z	Relative Intensity
53.03929	1.5
55.01858	2.4
55.05508	1.3
56.05029	7.3
56.96562	9.6
57.03426	2.3
60.04520	1.4
65.03934	29.3
66.04263	1.1
67.05495	0.9
68.99788	0.7
69.03416	2.4
70.51301	1.3
71.02979	0.6
74.02425	0.7
74.06073	0.6
77.32063	0.5
78.73807	0.4
78.79568	0.5
79.05486	0.9
84.04495	100.0
84.08152	1.5
84.96016	0.5
85.02903	4.5
85.04819	2.8
85.06533	1.9
86.52691	1.3
91.05473	8.1
92.05802	15.8
93.03383	7.8
93.07040	2.6
95.04954	1.6
95.53195	1.0
97.02800	0.6
98.03649	2.3
98.97567	0.8
100.02472	1.5
102.05535	16.5
102.09152	0.6
103.05431	3.1
105.07005	1.1
111.03807	1.1
111.04441	7.2
113.02346	0.7
118.03503	1.4
119.01903	0.7
119.04930	2.5
120.04451	1.9
120.05259	14.3
121.02864	37.7
121.03963	9.5
121.06470	3.4
124.04636	0.6
130.02925	1.2
130.04988	8.4
131.04945	1.1
133.05136	0.7
134.00517	0.6
148.03851	1.7
148.04884	5.7
148.06055	1.4
148.07507	1.4
149.02322	68.4
149.05991	1.8
149.09546	0.7
167.03403	0.9
169.03485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03948	7.3
55.01853	3.2
55.05488	2.8
59.44347	1.0
61.24068	1.2
65.03931	51.7
65.77180	1.0
66.04248	2.6
67.05482	2.4
68.99767	2.0
69.07063	1.9
69.20929	3.7
69.21353	9.1
72.45914	1.1
74.48948	1.1
79.05476	27.8
80.05800	1.4
81.07030	4.3
89.03896	1.5
90.44941	1.2
91.05468	48.9
92.05768	1.4
93.03402	12.5
93.07031	46.2
95.04968	10.0
98.03637	2.9
99.91101	1.1
103.05431	11.9
105.04516	3.6
105.07018	36.2
106.04204	1.8
106.07796	4.4
107.04917	5.2
107.08582	7.8
109.06501	12.6
109.07623	1.2
110.08376	2.3
111.04431	10.0
115.05470	1.3
116.06201	5.7
117.03378	1.5
119.04889	2.9
119.06128	1.2
119.08559	3.8
121.02845	64.6
121.03950	15.3
121.06481	58.6
121.07380	2.3
121.10112	25.3
122.03181	3.4
122.06975	1.8
123.08055	3.6
129.06976	1.8
131.04926	2.6
131.08521	6.6
133.07526	1.4
134.07227	1.3
149.02321	95.5
149.05943	13.8
149.09595	100.0
150.02682	4.1
150.06694	2.3
150.10023	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	149.096
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.88708	1.1
53.03943	7.4
53.53194	1.0
55.01857	5.0
55.05496	1.6
55.94690	1.0
56.87864	0.9
65.03930	56.5
67.05499	1.5
67.42010	1.2
69.03439	2.2
69.43004	4.5
69.43421	3.9
79.05482	14.6
81.07040	4.8
89.03903	2.9
91.05466	60.2
92.05792	2.1
93.03373	10.4
93.07030	25.6
95.04970	7.8
98.03660	3.2
103.05460	6.0
105.04424	1.2
105.07015	17.5
106.07800	1.9
107.04931	6.9
107.08583	7.7
107.13435	1.2
107.17734	1.0
109.06499	36.7
109.07628	1.8
110.08419	2.1
111.04424	10.3
115.05424	3.1
116.06224	8.5
117.03371	1.4
118.12346	1.2
119.06054	2.8
119.08569	3.5
121.02843	60.8
121.03957	13.0
121.06483	82.3
121.10106	12.1
122.03161	2.0
122.06908	1.5
123.08092	2.1
129.06990	2.6
131.04915	2.3
131.08540	7.7
133.06503	1.9
134.03598	1.5
134.07237	2.2
149.02319	100.0
149.05882	5.6
149.08324	1.2
149.09592	36.5
149.13185	1.2
150.02667	5.4
150.10104	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	149.1324
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03944	6.1
53.42782	1.1
53.84473	1.1
55.01854	3.6
55.05501	9.9
57.07055	1.8
57.49091	1.1
61.84703	0.9
65.03934	42.9
65.04284	2.3
66.04246	1.4
67.05499	8.5
69.07063	20.8
71.52286	1.7
74.90503	1.1
79.05017	1.3
79.05481	25.3
81.06587	1.9
81.07048	34.1
83.08592	1.9
91.05470	30.3
93.03392	11.4
93.07033	100.0
93.66943	1.2
94.07355	4.4
95.04984	6.1
95.08624	6.7
98.03661	1.5
103.05479	3.7
105.04465	1.4
105.07030	11.6
107.08579	72.3
108.08881	1.6
109.06493	3.8
111.04423	9.2
119.08575	2.8
121.02847	55.4
121.03957	14.5
121.04760	2.0
121.06464	5.7
121.10125	30.2
122.03235	2.9
131.04903	1.6
147.11703	1.7
149.02321	91.6
149.05963	4.7
149.09485	1.2
149.13242	31.1
150.02652	4.8
150.06702	1.2
150.07803	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03942	6.2
55.01880	1.1
55.05502	10.5
63.51258	0.9
65.03619	1.3
65.03938	20.4
66.04272	1.1
67.05501	6.8
69.06728	1.2
69.07063	12.8
70.35206	4.3
72.06895	1.2
76.06277	0.9
77.03911	1.6
78.04704	1.0
79.05064	1.7
79.05488	22.5
81.04012	0.9
81.07051	36.5
83.08617	1.6
91.05474	24.9
93.03393	4.2
93.07035	100.0
94.07365	3.7
95.04960	6.8
95.08598	4.8
105.04480	2.5
105.07053	5.6
107.08588	49.0
107.56459	1.1
108.08867	1.5
109.06516	1.8
111.04445	3.7
119.08548	1.6
121.02860	19.1
121.03975	6.8
121.06513	7.1
121.10137	21.7
123.08097	1.3
134.71849	1.1
149.02338	37.3
149.05948	1.6
149.13251	29.8
150.02722	1.7
150.79440	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0388
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02369	1.2
53.03943	8.1
53.24519	0.9
55.01864	9.4
55.05507	54.9
56.96561	0.8
57.07054	1.6
59.04985	1.6
59.62899	0.9
65.03936	18.3
65.85184	0.8
67.05499	34.3
68.05029	0.8
69.03406	2.2
69.07056	4.5
70.87427	2.7
71.01360	1.4
77.03925	2.6
79.05490	9.5
80.02628	1.5
81.03429	2.1
81.07046	32.7
83.04946	1.1
83.90235	1.0
85.02907	1.2
91.05475	27.6
92.05798	0.9
92.47507	1.0
93.03420	1.5
93.07031	7.8
93.76149	0.8
95.01310	1.5
95.04965	23.0
95.08602	8.1
97.06521	10.3
101.67970	0.8
105.03381	0.9
105.04514	2.1
105.07010	13.3
107.04946	2.0
107.08585	14.0
108.02083	23.6
108.05757	1.8
109.02870	2.5
109.06509	12.2
109.10147	16.7
110.07207	2.5
111.04436	4.9
111.07951	3.9
112.01581	1.4
119.04924	8.8
121.03971	1.3
121.10133	2.6
123.03483	1.3
123.04412	24.9
123.08066	5.1
123.10899	1.4
123.11694	9.3
133.10117	5.6
136.01561	1.8
136.05170	1.7
136.08852	1.5
141.05444	17.7
151.03896	100.0
151.05038	40.8
151.07515	14.2
151.09930	1.7
151.11171	16.7
152.04257	3.6
152.05339	1.8
152.06998	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0749
Annotation	875-59-2
Peak:m/z	Relative Intensity
51.02374	0.3
53.03944	0.9
55.01860	0.4
55.05507	0.6
56.96559	0.4
57.07053	0.3
65.03931	2.0
66.04737	1.5
66.05022	0.3
67.05503	2.1
68.19950	0.3
69.03439	0.4
69.07068	0.3
70.97591	0.6
77.03925	0.6
78.04729	1.5
79.05489	3.8
80.06265	3.7
81.03400	0.3
81.07035	1.5
89.03900	0.6
90.04697	2.2
91.05479	10.4
92.06272	0.4
93.03387	1.5
93.07042	1.4
94.04197	0.3
95.04971	2.4
95.08600	1.8
105.03406	1.8
105.07021	1.6
106.04176	2.2
107.04951	35.5
107.08563	0.6
108.02158	0.4
108.05744	12.3
109.06547	2.7
109.10158	0.8
116.98618	0.3
118.04141	1.7
119.04940	0.7
121.06477	0.5
123.04440	2.3
123.08060	1.5
123.11717	0.4
133.10141	0.6
135.03386	0.5
135.04411	9.2
136.05203	5.4
151.03918	2.0
151.07536	100.0
151.11148	1.6
152.07941	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	151.0752
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
53.03928	1.2
55.01868	0.7
56.83791	0.4
57.10413	0.4
58.10382	0.4
61.14442	0.4
65.03928	3.2
66.04714	1.8
67.05487	1.3
71.13439	0.8
77.03892	0.6
78.04701	2.3
79.05495	3.1
80.06264	3.5
83.57327	0.4
90.04713	2.8
91.05471	22.4
93.03389	1.5
93.07013	2.6
94.04142	0.5
95.04951	2.4
103.05472	0.5
105.03367	2.8
106.04164	3.1
107.04947	36.4
108.05743	13.3
109.06528	3.0
118.04121	1.3
119.04903	1.0
119.06040	1.2
121.02801	0.6
121.06499	4.5
123.08045	1.4
135.04402	14.3
136.05193	25.2
137.05588	0.6
139.07520	0.7
151.07527	100.0
152.07883	3.7
162.01794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0752
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
53.03934	1.7
55.01852	0.7
65.03931	3.8
66.04715	1.8
67.05490	1.2
69.51933	2.6
72.04900	0.3
77.03912	0.7
78.04692	2.0
79.05131	0.3
79.05487	3.2
80.06261	4.1
88.60313	0.3
89.03909	0.4
90.04684	2.6
91.05472	23.2
92.05811	0.5
93.03384	1.2
93.07046	2.6
95.04956	3.0
98.21494	0.6
100.60430	0.3
103.05457	0.7
105.03387	1.9
105.04502	0.7
106.04157	3.2
107.04942	35.2
108.05742	12.7
109.06519	3.5
118.04128	1.8
119.04885	0.7
119.06052	1.5
121.06494	6.1
123.08062	1.2
135.04398	15.7
136.05182	24.8
137.05521	0.7
139.07561	0.9
151.07523	100.0
152.07869	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	151.0751
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
52.40446	1.0
53.03923	1.4
55.05512	6.4
59.63986	0.9
65.03916	2.3
65.87164	0.9
67.05501	27.8
68.05019	2.4
69.03420	7.1
69.04536	5.6
70.78573	2.4
79.05484	5.4
80.06240	1.6
81.07065	5.9
83.04963	2.6
83.06084	1.9
84.46120	0.9
91.05488	5.5
91.66827	0.9
93.07047	7.7
95.04974	5.6
95.08603	38.4
95.28442	1.0
96.36844	1.0
97.07638	1.4
103.05472	1.6
105.07014	11.6
107.04962	9.0
108.05719	11.6
109.06501	2.8
109.07643	2.4
109.10181	1.2
110.07182	7.5
111.07948	16.3
121.06483	1.1
122.07126	1.2
123.04459	1.9
123.08060	44.5
124.08601	1.8
134.07100	2.1
135.04495	1.3
136.05142	2.1
146.95955	0.9
151.02821	1.9
151.03935	3.6
151.07538	100.0
151.09773	10.0
151.11101	3.1
152.04536	1.1
152.06905	1.2
152.07991	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	151.0752
Annotation	875-59-2
Peak:m/z	Relative Intensity
53.03921	1.3
55.01859	0.9
55.05268	0.3
55.05504	3.6
59.05008	0.4
65.03931	2.4
66.04716	1.6
67.05495	4.6
68.04997	0.6
68.99767	0.3
69.03413	0.6
69.07060	0.6
69.68703	2.0
77.03902	0.5
78.04711	1.3
79.05072	0.3
79.05484	4.1
80.06261	4.1
81.03405	0.5
81.07047	4.7
83.04959	0.5
89.03893	0.5
90.04681	2.2
91.05468	10.3
93.03374	1.7
93.07018	2.0
94.04175	0.5
95.04951	5.6
95.08607	1.7
97.06511	0.5
98.21395	0.5
103.05417	0.5
105.03369	2.1
105.04536	0.5
105.07001	2.7
106.04170	2.8
107.04940	32.5
107.08572	1.8
108.02053	0.6
108.05740	11.9
109.06529	2.8
109.07635	0.6
109.10139	2.0
110.07145	0.5
111.04416	0.6
111.07948	1.6
111.08583	0.3
118.04150	1.9
119.04910	0.9
119.06065	0.3
121.02884	0.4
123.04409	16.0
123.08051	1.4
123.11680	1.1
124.04779	0.5
124.07533	0.4
133.06493	0.6
133.10115	1.3
135.04396	8.6
136.05179	5.0
141.05463	0.9
151.03938	10.1
151.07520	100.0
151.11034	3.2
152.04330	0.4
152.06789	0.5
152.07970	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	151.0752
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
50.01593	0.3
51.02364	0.3
52.11412	0.2
53.03933	0.6
56.68635	0.2
57.24592	0.2
57.69850	0.2
65.03924	1.9
66.04700	1.1
67.05504	1.5
70.29993	0.2
70.84090	0.7
70.84444	0.3
76.87458	0.2
77.03911	0.6
78.04684	1.4
79.05061	0.3
79.05484	3.2
80.06264	4.0
81.03373	0.4
81.07048	1.9
89.03894	0.3
90.04678	2.2
91.05468	9.2
92.38578	0.3
93.03374	1.4
93.07033	0.7
94.04176	0.4
95.04966	1.6
95.08598	2.0
105.03386	2.2
105.04490	0.5
105.07010	0.8
106.04163	2.1
107.04939	31.7
107.08525	0.4
108.05738	11.6
109.06507	0.9
109.10155	0.9
111.04410	0.6
118.04133	1.4
119.04941	0.6
119.53250	0.2
121.02879	0.3
121.06484	0.5
123.04406	1.3
123.08065	0.8
123.11682	0.3
135.04391	8.3
136.05203	4.8
150.06297	0.3
151.07521	100.0
152.07849	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	151.1117
Annotation	CARVONE
Peak:m/z	Relative Intensity
53.03948	4.5
53.05465	0.6
53.59622	0.8
55.01875	1.1
55.05506	100.0
56.05831	0.9
57.03437	1.1
57.07070	1.7
58.06590	0.7
59.05003	3.8
65.03938	3.2
67.05499	18.8
68.05022	1.9
69.03419	1.8
69.07069	2.7
69.67964	5.0
70.06598	1.1
71.04996	1.0
71.24124	0.7
79.05492	7.2
81.03421	1.5
81.07049	26.7
82.07384	0.7
83.06079	1.2
87.60841	0.8
91.05475	12.3
93.07050	6.2
94.06576	1.0
95.04958	17.3
95.08592	6.4
96.05778	1.1
97.06518	18.2
105.03440	0.9
105.04494	1.2
105.07020	12.1
106.06586	0.9
107.04962	2.3
107.08584	11.2
108.05753	2.8
109.06516	13.8
109.07655	1.2
109.10137	18.3
110.06052	0.6
110.07251	2.9
111.07972	3.2
119.01768	0.7
119.04967	3.2
121.06508	0.9
121.10172	1.1
123.04416	24.2
123.08038	4.6
123.11687	8.4
124.07523	1.1
131.08583	0.7
133.06552	1.3
133.10143	5.1
134.07080	0.9
135.09145	1.1
136.05202	2.8
136.08813	1.6
151.02795	1.2
151.03900	13.4
151.05005	1.6
151.07532	13.7
151.08638	0.7
151.09824	2.4
151.11150	18.5
151.12331	1.2
152.01752	0.8
152.04314	1.1
152.07124	2.0
152.11737	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	CARVONE
Peak:m/z	Relative Intensity
51.02378	1.2
53.03941	9.0
53.72817	1.1
55.01874	8.9
55.05506	100.0
56.05859	1.7
57.03419	4.1
57.07061	4.3
59.04987	5.4
65.03937	19.7
65.65565	1.1
67.05498	57.3
68.05025	2.5
68.05821	2.6
68.99795	1.3
69.03419	3.3
69.07058	16.3
71.05009	1.4
71.19160	1.8
71.19496	2.1
77.03907	2.6
79.05061	2.2
79.05489	22.5
80.02569	1.2
81.03429	1.9
81.07049	80.8
82.07384	1.8
83.06074	1.9
91.05475	57.7
92.05820	2.3
93.07034	20.6
95.04957	35.5
95.08595	15.7
96.05258	1.6
96.08112	2.0
97.06529	14.7
103.05450	1.3
105.03394	1.3
105.04543	1.9
105.07022	43.2
107.04949	2.8
107.08585	29.0
108.02078	19.5
109.02885	1.9
109.06509	25.7
109.07648	2.2
109.10144	28.9
110.07188	2.8
111.04449	4.1
111.07921	4.6
118.07835	1.4
119.04929	9.6
119.06124	1.2
119.08594	1.6
121.04001	1.9
121.06488	1.3
121.10133	10.1
123.04417	30.0
123.08055	9.8
123.11691	22.3
124.04693	1.4
131.08498	1.9
133.10115	15.8
134.06017	1.4
134.07021	1.4
136.01535	2.8
136.05154	1.4
136.08817	3.6
141.05464	14.1
151.03889	89.9
151.05035	30.5
151.07501	13.6
151.09807	3.7
151.11154	30.9
152.01663	1.4
152.04239	5.8
152.07001	2.6
152.11662	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
51.85324	1.2
53.03930	5.6
55.01859	3.5
55.05506	44.3
57.03395	1.6
57.07053	4.8
59.04716	1.5
59.04995	27.6
65.03932	8.8
66.44093	1.3
67.05499	39.2
68.05003	1.6
69.03410	7.1
69.06792	1.3
69.07064	13.6
71.04964	1.4
71.25886	3.2
76.18063	1.2
77.03918	1.8
79.05484	21.1
81.03410	1.9
81.07047	73.4
83.04958	1.7
83.06101	2.1
91.05471	48.7
92.05816	3.0
93.07036	53.3
94.04137	1.4
95.04957	32.5
95.08604	15.4
97.06518	5.9
103.05458	1.7
105.07022	47.2
107.04942	3.4
107.08582	100.0
108.02103	2.6
108.05727	2.2
108.08878	3.2
109.06501	50.7
109.07640	3.3
109.10145	63.2
110.07193	1.8
110.10474	2.6
111.07905	4.5
117.33571	1.4
119.04971	7.4
119.06033	2.9
121.06505	2.1
121.10115	4.2
122.34068	1.5
123.04414	64.6
123.08047	12.6
123.11691	27.7
124.04771	3.9
124.07575	1.5
124.08686	3.1
131.08531	2.6
133.10109	19.6
136.05171	4.3
136.08804	6.2
141.05437	1.5
151.02750	2.2
151.03915	32.3
151.05043	5.7
151.07520	14.7
151.09920	2.3
151.11163	62.0
152.11624	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	151.1116
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
51.14602	0.3
53.03927	1.5
53.98348	0.3
54.14922	0.3
55.01857	1.5
55.05507	2.4
57.03421	0.9
57.07054	1.1
59.04992	1.3
65.03920	1.9
67.05500	9.0
68.05041	0.5
69.03416	1.6
69.07056	2.6
70.07307	1.3
79.05484	4.9
81.03393	0.9
81.07047	15.6
82.07398	0.7
83.06107	0.5
83.08550	0.4
91.05473	6.1
93.07042	4.9
95.04961	5.4
95.08597	5.4
97.06525	1.4
105.07021	11.6
107.04951	1.1
107.08583	7.0
108.02051	0.5
108.05741	0.8
109.05793	0.8
109.06509	12.8
109.10146	9.9
110.07253	0.5
111.04359	0.4
111.07944	1.9
119.04962	0.8
119.06039	0.5
121.06477	1.2
121.10148	2.6
121.27394	0.4
123.04419	3.2
123.08055	5.9
123.11702	4.1
124.07569	0.9
128.02312	0.5
131.08502	0.7
133.10124	4.2
134.10435	0.4
135.08047	0.5
136.05161	0.6
136.08826	2.4
141.05479	1.0
151.03882	5.8
151.05020	1.7
151.07680	3.3
151.11165	100.0
152.06982	0.9
152.11516	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	151.1116
Annotation	CARVONE
Peak:m/z	Relative Intensity
53.03940	5.1
55.01855	2.1
55.05505	100.0
56.05834	1.6
57.03429	0.9
57.07052	1.6
59.04980	2.1
65.03928	3.5
67.05499	23.1
68.05017	1.7
69.03401	2.3
69.03746	0.8
69.07059	5.3
69.67127	2.6
69.67557	3.0
70.06569	1.0
71.51316	0.7
72.14576	0.7
79.05487	13.3
81.03386	2.0
81.07046	42.6
83.04969	0.7
83.06106	1.4
91.04981	1.4
91.05479	17.1
92.05790	0.9
93.03364	1.2
93.07028	10.5
94.06556	0.9
95.04961	17.1
95.06100	0.9
95.08598	11.8
96.08058	1.1
97.06516	14.4
97.07608	1.0
102.70029	0.7
105.03332	1.0
105.04459	0.9
105.07013	15.3
107.04924	2.9
107.08578	16.6
108.02109	0.8
108.05712	2.8
108.40605	0.7
109.06508	16.6
109.07628	2.6
109.10141	22.6
110.07272	3.8
111.04419	1.2
111.07919	2.4
119.04954	3.5
121.10138	1.6
123.04415	21.9
123.08074	8.4
123.08987	1.0
123.11679	12.1
124.07633	0.8
131.08549	1.0
133.06458	1.6
133.09169	1.1
133.10094	6.9
134.07077	1.2
135.04349	1.3
136.05179	2.2
136.08784	1.1
151.02841	0.7
151.03934	13.8
151.05035	1.7
151.07529	16.4
151.08565	0.9
151.09889	1.3
151.11160	20.5
152.07019	2.2
152.11678	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03932	1.1
54.04812	0.4
54.33130	0.4
54.59903	0.4
55.01846	1.8
55.05504	4.3
57.03424	0.7
57.07063	1.5
59.04979	1.5
65.03922	2.4
67.00638	0.4
67.05493	8.1
69.03416	1.8
69.07050	1.9
71.10735	0.7
74.39479	0.4
79.05479	4.8
81.03406	0.9
81.07046	14.9
82.07375	0.5
83.04962	0.5
86.76929	0.4
91.05462	5.6
93.07031	4.2
95.04964	5.0
95.08600	4.7
97.06516	1.4
101.00858	0.5
105.07013	10.8
107.04929	0.8
107.08571	6.4
108.02062	1.1
108.05704	1.0
109.06503	14.2
109.10139	10.6
111.07957	0.7
119.04909	1.0
119.06042	0.5
121.06534	0.7
121.10125	2.6
122.07284	0.5
123.04405	4.8
123.08050	5.4
123.11684	3.8
131.08549	0.5
133.10117	5.3
136.08792	2.3
141.05441	1.5
151.03879	7.5
151.05025	1.7
151.07616	2.9
151.11156	100.0
152.04225	0.7
152.11494	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	153.0545
Annotation	Isovanillin
Peak:m/z	Relative Intensity
51.02377	0.6
53.03946	3.5
55.01864	4.8
55.05507	6.0
55.62088	0.4
57.07052	0.6
65.03934	13.6
65.12373	0.4
66.04707	1.6
67.05499	34.7
68.05826	1.0
68.99783	21.5
69.03422	2.3
69.07063	15.6
69.81197	2.5
70.06583	0.5
70.94247	1.3
71.04970	1.2
71.80724	0.4
71.94083	0.5
73.06548	0.8
77.03936	0.6
79.05487	16.1
81.03401	1.2
81.07049	6.5
82.04183	1.2
83.04974	3.6
84.55047	0.4
85.02882	0.6
91.05474	2.5
93.03400	4.7
93.07049	4.0
94.04184	9.7
95.04959	41.2
95.08608	2.1
95.49574	0.4
96.05275	0.9
97.06515	7.9
105.03399	0.4
105.04495	1.0
107.04971	2.2
107.08590	5.6
109.06507	4.5
109.10139	3.2
110.03654	4.4
111.03710	0.8
111.04438	12.1
111.08037	1.2
112.08701	0.7
121.02870	0.4
123.04412	18.6
125.05975	9.9
135.04419	1.5
135.08057	1.3
135.11685	2.4
136.74744	0.4
138.03102	1.2
139.03891	7.4
141.05446	21.6
142.05830	0.5
151.05081	0.5
153.05450	100.0
153.08896	2.6
153.11452	0.8
153.12743	3.0
154.05818	2.8
164.06998	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Geranial
Peak:m/z	Relative Intensity
53.00311	0.9
53.03927	3.1
55.01856	3.1
55.05507	31.7
57.03419	2.3
57.07059	2.6
59.04979	3.7
59.07183	0.7
59.34361	0.7
65.03937	15.1
66.04278	1.0
67.05499	21.0
68.99789	6.8
69.03432	4.7
69.07063	100.0
69.96502	1.2
69.96913	3.0
70.06594	1.4
70.07388	1.6
70.94239	3.3
71.04996	4.4
71.05311	0.8
71.08625	0.9
71.94077	1.2
79.05482	14.7
81.03408	1.2
81.07047	11.5
81.77482	0.7
82.04179	1.5
83.04981	16.4
83.08611	2.6
85.02926	0.9
85.06541	1.1
89.69411	0.7
91.05471	7.3
93.03412	7.9
93.06469	1.4
93.07040	20.6
94.04176	3.4
94.07349	1.0
95.04962	17.4
95.06048	1.1
95.08595	10.0
97.06525	50.7
98.06831	1.7
105.06991	1.2
107.04941	4.9
107.08588	22.8
109.06495	2.9
109.10155	13.5
110.03683	4.1
110.07169	1.1
111.04440	22.7
111.08074	4.8
111.11684	0.8
111.96863	1.4
112.04778	1.1
112.08699	2.0
121.06466	1.5
123.04429	5.6
123.11674	1.6
124.04984	0.8
125.05981	11.2
125.09583	1.6
126.05502	1.0
129.97836	1.8
135.04408	2.4
135.08051	2.4
135.11725	8.6
136.07516	0.9
136.08644	1.0
138.03070	1.2
138.06725	0.8
139.03889	3.3
141.05449	6.7
153.01874	1.6
153.05457	40.0
153.09065	3.9
153.11371	2.2
153.12715	18.2
154.05963	1.6
154.08636	1.1
154.13164	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00294	2.4
53.03933	5.7
53.87369	1.0
55.01870	1.3
55.05501	33.3
57.03423	1.8
57.07074	1.7
59.04994	9.1
63.21359	0.9
65.03931	7.3
67.05495	12.0
69.03419	1.5
69.07058	86.3
70.61973	3.2
71.04984	39.5
73.06548	22.3
79.05009	1.4
79.05482	31.3
81.07043	100.0
82.07384	2.8
83.04969	5.5
83.08602	2.9
91.05472	12.2
93.03388	3.8
93.07032	41.5
95.04949	5.4
95.08592	8.6
95.75202	1.0
97.06521	10.1
105.07015	2.5
107.04931	3.9
107.08581	44.2
108.08918	1.8
109.06500	3.0
109.10130	6.6
110.07159	1.2
111.04425	11.5
111.08046	5.5
111.62153	1.2
113.05833	1.3
119.08557	1.6
121.88902	0.9
122.94498	1.0
125.05949	5.1
125.09598	2.0
126.73006	0.9
135.08038	3.1
135.11664	23.8
139.03947	1.2
141.68266	1.1
153.05438	4.3
153.09109	3.3
153.11449	1.5
153.12718	14.2
169.47163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Artemisia ketone
Peak:m/z	Relative Intensity
53.03937	0.8
55.01870	0.6
55.05508	33.0
56.05833	0.5
57.03432	0.6
57.07057	0.4
59.04992	0.5
61.43114	0.4
65.03941	3.9
67.05496	3.0
69.03430	1.2
69.07063	100.0
69.82705	0.7
69.83121	1.5
70.07393	1.4
70.94243	0.7
71.05004	2.4
72.08126	0.4
73.06558	0.7
73.75991	0.4
79.05483	3.9
81.03445	0.5
81.07043	4.1
83.04984	3.5
83.08611	0.5
85.07690	0.3
91.05476	1.8
93.03393	2.1
93.07039	6.1
94.06573	0.5
95.04957	8.7
95.06049	0.6
95.08585	2.6
97.06515	4.6
98.21404	0.5
105.07024	1.0
107.04958	2.6
107.08580	7.6
109.06521	1.7
109.10140	2.6
110.03654	1.1
111.04433	5.9
111.08079	2.2
113.05894	0.4
117.72445	0.4
120.99084	0.3
121.06517	0.4
125.06015	2.4
125.09623	1.0
131.35512	0.4
135.04416	1.6
135.08060	1.1
135.11688	2.0
136.07594	0.8
153.01918	0.6
153.05475	2.7
153.08070	0.5
153.09142	1.3
153.11391	1.0
153.12759	5.4
166.46613	0.4
173.44829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	cis-para-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03936	2.8
55.01858	1.5
55.02127	1.4
55.05511	16.6
57.03433	3.3
57.07077	2.0
59.04998	11.2
65.03930	10.3
67.05502	31.9
68.37405	1.3
69.03423	9.2
69.07066	55.4
69.38924	13.4
70.94224	2.1
71.04985	11.6
73.06565	1.7
73.13871	1.6
79.05495	14.2
81.07053	24.0
83.04981	11.1
83.08605	8.7
85.06522	2.4
91.05478	16.8
93.03400	6.2
93.07041	67.4
93.07631	3.3
94.07364	2.3
95.04960	3.7
95.08601	48.9
96.08895	1.5
97.06525	76.3
105.04449	1.8
105.07020	6.6
107.04920	2.5
107.08587	100.0
108.08902	3.0
109.06506	2.9
109.10151	89.5
110.10471	2.6
111.04435	15.2
111.08099	8.7
111.11697	3.4
112.08698	1.7
119.06082	2.5
119.08564	2.1
122.08707	1.3
125.05986	4.0
135.08055	14.1
135.11681	52.7
135.12721	3.3
136.11995	2.7
153.01797	2.4
153.05447	2.3
153.09119	6.8
153.12738	82.8
154.13054	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03942	4.2
55.01875	2.7
55.05513	18.4
56.42693	2.4
57.03433	5.0
57.07074	15.2
57.48429	1.8
59.05000	14.4
65.03938	12.7
67.05509	17.4
69.03439	3.1
69.07065	24.3
69.82896	9.7
71.04993	35.0
71.58950	1.7
73.06551	16.0
76.32281	2.1
79.05487	31.5
81.07053	100.0
82.07374	2.5
83.04986	11.0
83.08624	3.7
91.05474	16.0
93.03394	9.0
93.07040	49.2
95.04969	21.2
95.08591	20.7
97.06526	38.6
102.46097	2.1
105.07030	5.2
107.08586	52.8
109.06547	4.1
109.10149	29.2
110.03655	4.1
111.04436	19.9
111.08060	16.5
125.06001	9.3
135.08067	4.5
135.11696	30.9
138.11224	1.9
153.05447	6.0
153.09068	4.0
153.11682	3.6
153.12769	31.7
161.65382	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Perillyl alcohol
Peak:m/z	Relative Intensity
53.03932	4.4
55.01855	5.0
55.05510	35.7
57.03413	4.7
57.07071	15.4
59.05000	11.8
65.03937	15.9
67.05499	15.6
69.03418	5.8
69.07064	98.3
70.00093	5.6
70.06543	1.2
70.07384	1.6
70.94249	2.1
71.04995	21.1
71.08610	1.5
71.94079	1.3
73.06551	10.9
79.05489	25.4
81.07049	52.7
81.07526	2.9
83.04972	22.4
83.08595	4.0
85.06525	2.1
91.05469	11.7
93.03396	9.7
93.07037	43.3
95.04972	6.4
95.08601	20.4
97.06524	100.0
98.06810	2.1
99.77029	1.0
105.04478	1.9
105.07005	3.8
107.04933	3.8
107.08591	52.5
108.08952	1.5
109.06474	3.5
109.09470	2.0
109.10155	28.2
110.03661	6.1
110.07153	1.1
110.10473	1.9
111.04438	22.5
111.08070	11.9
112.04656	1.2
112.08670	2.2
119.08533	3.1
120.36841	1.1
125.05965	11.0
125.09644	2.4
129.97903	1.9
135.04381	5.4
135.08066	1.4
135.11681	28.3
136.07573	1.5
138.03108	2.8
147.57027	1.4
153.05498	15.2
153.06781	2.0
153.09067	4.4
153.11359	3.3
153.12720	37.3
155.42773	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.07100	0.8
52.46736	0.9
53.00295	1.2
53.03927	2.6
55.01866	1.1
55.05505	16.9
56.05037	1.1
56.41577	0.8
57.03426	1.4
57.07066	4.9
58.61680	0.8
59.05000	5.6
63.02427	0.8
65.03928	3.9
67.05499	5.3
69.03424	2.4
69.07066	10.7
70.06575	1.3
70.95837	0.9
70.98695	2.5
71.04987	19.2
73.06184	0.8
73.06551	11.7
74.04749	0.7
77.49315	0.8
79.05068	1.4
79.05489	17.3
81.07049	56.7
82.06580	1.2
83.04971	4.6
83.08603	3.3
85.06487	0.9
91.05476	6.5
93.03387	2.7
93.06482	1.7
93.07030	22.3
95.04962	5.2
95.08595	6.4
97.05239	3.3
97.06522	14.0
98.06033	3.1
98.09694	1.7
105.07008	2.8
107.04939	2.3
107.08585	22.2
108.08101	2.6
109.06513	6.8
109.10138	6.6
110.06004	4.6
111.04400	4.8
111.06818	4.5
111.08063	4.1
119.08563	1.1
125.05970	2.7
126.09135	3.2
135.11673	14.6
139.06241	4.2
153.01813	1.6
153.05441	2.3
153.11461	1.7
153.12730	7.9
154.08617	100.0
161.89832	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Artemisia ketone
Peak:m/z	Relative Intensity
53.00303	0.5
53.03939	1.7
53.99841	0.3
55.01868	2.3
55.05505	29.7
56.05836	0.6
57.03433	2.0
57.07072	2.6
59.04996	7.7
65.03937	2.8
67.05502	9.2
69.03419	1.5
69.07060	100.0
70.07400	1.4
71.04987	4.0
71.08632	1.7
71.14092	0.9
73.06546	1.4
79.05486	9.8
81.07048	8.1
83.04973	20.4
83.08608	2.8
84.05270	0.5
85.06530	2.9
91.04919	0.2
91.05469	6.0
92.15932	0.3
93.03387	0.9
93.07034	24.5
94.07343	0.8
95.04975	2.0
95.08599	13.0
95.35433	0.3
96.18627	0.4
97.06519	84.6
97.10150	2.0
98.06860	2.0
105.07016	2.7
106.04198	0.3
107.04961	0.4
107.08582	27.6
108.08158	0.3
108.08907	0.9
109.06527	1.0
109.10144	15.9
110.03663	0.6
111.04440	3.3
111.08074	3.0
111.64851	0.3
119.08557	2.0
120.09374	0.4
123.11679	1.9
125.05981	1.6
125.09586	0.5
134.61230	0.3
135.08052	0.4
135.11674	11.1
137.09546	0.4
153.05446	1.5
153.09074	1.0
153.12723	22.9
154.06252	0.6
154.13068	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.98109	1.9
53.00313	2.6
53.03931	6.5
55.01857	4.0
55.05506	32.7
57.03429	4.6
57.07075	14.3
59.05004	17.8
62.51883	1.8
65.03936	30.5
67.05493	21.7
69.03410	7.2
69.06689	3.0
69.07063	60.6
70.94235	4.7
71.04989	39.8
71.19359	2.2
71.19695	3.1
73.06542	19.2
79.05487	37.3
81.07047	100.0
83.04974	18.8
83.08611	4.1
91.05468	17.8
93.03410	14.8
93.07037	62.8
94.07361	2.8
95.04982	11.7
95.08596	22.4
97.02888	2.0
97.05920	3.6
97.06524	67.5
105.07020	5.6
107.04954	3.0
107.08585	67.8
108.08896	2.6
109.06517	5.5
109.07590	1.9
109.10154	46.8
109.25555	1.7
110.03667	3.9
111.04432	55.3
111.08062	17.2
111.96865	2.5
112.04797	2.5
112.08724	1.9
119.08554	3.7
125.05980	21.6
125.09589	4.0
135.04425	2.5
135.11694	41.8
136.08624	1.8
138.03082	2.3
138.06659	2.2
153.01811	5.8
153.05475	17.9
153.09106	4.1
153.11488	3.4
153.12729	43.5
154.08601	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03930	4.7
55.01862	2.0
55.05507	32.7
57.03431	2.1
57.07059	2.8
59.04987	8.3
63.93514	1.0
65.03933	13.9
65.78089	1.1
67.05505	13.8
68.05024	1.5
68.49873	1.2
69.03418	3.9
69.07064	47.4
70.06572	2.5
70.39638	3.1
70.40024	2.2
70.94251	3.0
71.04986	33.9
73.06549	18.8
79.05485	35.7
80.05815	1.4
81.04488	1.0
81.07050	100.0
82.07378	2.0
83.04987	8.4
83.08581	3.1
87.89604	1.1
89.03954	1.1
91.05480	14.8
93.03387	5.3
93.07037	51.8
95.04960	16.9
95.06084	1.8
95.08614	13.7
97.06527	20.5
105.04546	1.7
105.07030	5.0
107.04205	1.2
107.04946	34.4
107.08588	52.8
108.05241	1.4
108.08908	1.5
109.06510	4.1
109.07648	3.0
109.10143	17.5
110.03643	6.3
110.07101	1.6
111.04434	18.1
111.08064	9.3
111.09203	1.9
111.96832	2.0
112.08697	3.1
113.05833	2.0
119.06087	1.6
119.08569	1.8
123.04441	1.2
123.11716	1.3
125.05983	11.1
125.09621	1.8
126.05477	1.0
126.10233	1.3
135.04414	10.8
135.08031	2.6
135.11676	28.4
136.07516	1.6
136.08621	1.7
136.11935	1.2
138.03110	5.2
139.03897	1.5
148.97322	3.3
150.61366	1.2
153.01836	2.9
153.05476	16.2
153.07419	3.7
153.09111	3.6
153.10281	1.4
153.11349	7.3
153.12732	19.5
154.04893	2.6
154.08601	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	153.1273
Annotation	(+)-cis-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03932	4.7
55.01861	4.6
55.05506	22.6
55.28049	1.3
57.03416	5.0
57.07064	5.0
59.04998	12.9
65.03615	1.9
65.03937	30.6
66.04728	1.1
67.05501	56.6
68.05834	1.8
68.99783	13.0
69.03416	13.4
69.07063	72.5
70.44534	1.1
70.77486	3.3
70.94236	3.1
71.04986	17.0
71.94093	1.4
73.06538	2.9
79.05485	27.7
81.03412	1.4
81.07050	37.5
82.04198	1.0
83.04973	11.1
83.08611	11.3
85.06536	3.1
91.05470	15.5
93.03402	13.2
93.07037	74.9
94.04184	3.0
94.07377	1.4
95.04964	41.3
95.06059	2.3
95.08599	55.9
95.57650	1.1
96.05273	1.5
96.41672	1.0
97.06522	82.1
98.06846	1.4
98.90211	1.0
105.04501	1.7
105.07039	6.4
105.23169	1.1
107.04933	4.6
107.08583	100.0
108.08885	3.8
109.06516	10.0
109.10146	96.7
110.03628	6.8
110.07164	1.6
110.10455	1.7
111.04436	43.7
111.05215	2.1
111.08068	13.6
111.11694	2.1
111.96856	2.1
112.04766	1.3
112.08698	3.4
119.08604	1.9
123.04431	10.6
125.05981	19.6
125.09596	1.7
128.16525	1.0
135.04427	1.8
135.08023	1.8
135.11678	59.0
136.07538	1.2
136.08675	1.9
136.12086	1.7
138.03094	3.7
138.43156	1.2
139.03877	5.1
141.05458	11.4
141.53888	1.0
148.56894	1.1
153.01834	3.1
153.05453	62.5
153.09076	4.7
153.11378	5.2
153.12721	87.2
154.05867	2.8
154.08603	1.7
154.09714	2.0
154.13052	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	154.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.8
56.05008	0.6
57.07061	0.2
58.06589	0.2
67.05489	0.7
68.04996	0.4
69.03420	0.5
70.06586	1.2
70.88016	0.7
71.04980	0.5
72.93773	1.7
79.05484	1.9
81.07047	7.7
81.46105	0.2
82.06563	1.0
82.07373	0.8
83.04962	0.4
83.07336	0.2
83.08620	1.4
84.08113	0.5
90.94815	0.5
91.05466	0.8
93.05752	0.7
94.07381	0.3
95.04953	0.4
95.42072	0.2
96.04475	0.8
96.08154	0.3
97.05271	3.0
98.06058	2.6
98.09686	2.0
108.08120	2.7
108.08847	0.3
109.06506	5.4
109.07629	0.3
109.10123	0.3
110.06023	5.0
111.06818	4.6
113.96382	0.8
123.04366	0.2
124.07584	0.7
125.08356	1.0
126.08315	0.4
126.09138	3.8
131.97426	0.5
136.12073	0.4
138.05482	0.6
139.06264	4.9
140.04688	0.4
152.07033	0.6
154.08609	100.0
155.08958	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	155.0187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01860	3.3
55.05499	4.7
55.93515	1.6
56.05047	1.1
56.96558	14.2
57.03421	6.9
58.99850	4.0
60.95835	2.3
61.02916	1.3
64.96539	0.8
65.03927	5.5
67.01856	1.9
67.05505	5.0
68.99770	1.9
69.03426	5.0
69.07048	1.0
69.96167	6.5
69.97059	4.4
70.06557	1.3
70.95862	10.6
70.98104	1.4
70.99837	1.1
71.01344	1.7
71.04977	1.8
71.94096	2.1
72.04480	1.3
72.93781	16.3
73.02891	3.3
77.00898	3.9
78.52934	3.7
81.03411	5.0
81.07049	4.7
82.01421	4.1
82.99816	1.0
83.00759	1.2
83.04982	7.9
83.06087	2.2
83.43801	0.9
85.02883	3.2
86.06017	0.9
86.52694	1.7
87.53438	1.6
88.96888	2.6
89.02327	1.3
90.94833	6.1
92.52680	4.1
93.03383	1.8
93.04513	2.1
93.07060	1.4
95.01310	6.4
95.01903	1.9
95.04967	9.4
95.06073	1.4
96.04472	1.2
97.02874	2.9
98.21564	1.1
98.97548	1.3
98.98450	1.4
99.04440	3.8
100.02463	26.6
101.00871	18.7
103.02431	3.7
105.00390	1.3
108.95828	1.4
109.02859	8.9
109.06503	2.7
109.10118	3.5
110.06036	2.1
110.07156	18.6
111.04440	13.9
111.08041	1.4
111.98464	3.8
112.01562	3.6
113.00839	10.3
113.03416	2.1
113.05977	5.0
113.96394	6.1
113.97066	0.9
114.00918	1.8
114.04002	2.7
115.01289	1.2
115.02423	2.5
116.98592	2.3
117.01866	1.4
118.03504	17.4
119.01907	92.5
120.01989	3.0
121.01633	1.8
121.03448	2.4
122.53731	1.0
123.04365	3.5
124.02451	1.4
124.54187	2.4
125.02357	1.0
127.03899	11.8
127.07541	3.0
128.98555	1.2
129.99483	2.0
131.01894	100.0
131.96123	9.6
131.97394	3.8
132.01917	12.9
132.05052	17.0
132.95828	10.5
133.01633	3.5
133.03445	14.1
136.04538	1.3
137.02962	32.4
137.05908	2.2
140.04636	3.4
141.01802	1.1
141.05025	1.1
142.03485	27.9
142.24911	0.9
145.03435	3.5
146.99614	1.8
147.04955	1.7
149.01097	1.4
149.02936	27.5
149.97189	20.4
150.00621	1.2
150.03043	3.8
150.06110	12.4
150.96857	27.8
151.04492	5.4
154.03452	4.1
154.90686	2.2
155.01852	9.6
155.03401	10.6
155.07007	16.1
156.05017	1.8
156.06415	1.1
160.04515	10.0
161.02950	1.7
167.98178	2.2
168.01457	1.2
168.98000	1.1
173.02968	16.1
173.04504	1.7
173.98514	2.2
174.06120	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	155.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01862	1.9
55.05507	0.7
55.93521	1.1
56.05015	0.5
56.96561	13.1
57.03435	2.8
58.99855	4.7
60.95847	0.6
61.02916	1.3
62.60876	0.5
65.03918	0.7
67.05509	0.7
69.03418	2.8
69.96175	2.6
70.06757	2.2
70.95851	5.6
70.98117	0.4
70.99854	2.7
71.04980	0.6
71.94097	0.9
71.95263	0.7
72.08146	0.4
72.93387	1.0
72.93783	12.0
73.02901	2.0
77.00914	3.7
78.52950	2.5
81.03401	1.9
81.07011	0.5
82.01427	5.6
82.05330	0.5
82.99847	1.3
83.00782	1.1
83.04961	0.8
83.06079	0.9
84.08104	0.6
84.99267	0.5
85.01406	0.7
85.02898	2.0
86.99342	0.7
88.96896	1.0
89.00852	1.6
90.01529	0.8
90.94826	2.9
91.02418	0.6
91.05446	0.4
92.52721	0.7
93.04520	0.7
95.01322	1.0
95.01913	0.8
95.04986	2.4
95.05491	0.4
95.06101	0.9
96.06429	0.6
97.02901	2.1
98.01285	0.6
98.97578	3.0
99.04453	1.1
100.02473	30.7
100.04725	0.6
101.00868	22.0
101.02459	1.2
101.53193	1.1
102.00958	0.7
103.00508	0.5
103.02430	2.2
104.01305	1.0
105.00388	0.8
108.43406	0.5
109.02877	1.8
110.01186	0.6
110.07162	9.2
110.97551	1.0
111.04401	1.2
111.98461	1.9
112.02808	0.6
113.00854	14.1
113.06014	0.5
113.96404	4.5
114.00922	1.1
114.04023	3.8
115.02441	2.9
116.98619	1.3
117.01871	0.5
118.01115	1.3
118.03517	18.6
119.01908	100.0
120.01936	2.4
121.01617	1.2
121.03436	1.6
122.53683	0.7
123.04073	0.5
123.66290	0.5
124.02433	2.2
125.03413	0.4
127.03894	1.3
128.98581	1.4
129.54482	0.5
129.99512	1.4
130.06302	0.6
131.01895	99.3
131.96162	5.0
131.97345	2.9
131.99699	1.2
132.01923	10.4
132.05055	9.1
132.95808	5.4
133.01668	1.8
133.03445	10.3
134.99699	0.8
136.02393	0.6
136.04483	0.9
137.02945	33.0
138.09074	0.7
140.04694	1.1
141.02736	0.6
141.05090	0.8
142.03484	33.3
143.01959	0.9
145.01720	0.5
145.03427	2.4
146.99623	1.2
147.04961	1.2
149.01160	1.1
149.02945	26.1
149.97191	10.3
149.98297	0.4
150.02995	2.9
150.06084	5.7
150.96877	9.5
150.98970	0.7
151.04475	3.2
154.03494	3.7
155.01883	7.2
155.03531	2.6
155.06961	1.4
155.11803	1.0
156.01973	0.7
156.05055	1.5
157.03430	0.6
159.04990	0.6
160.04556	11.2
163.04553	0.6
165.05000	1.1
167.98175	0.8
168.97972	0.6
172.04558	0.6
172.98918	0.7
173.01387	0.9
173.02948	14.0
173.98494	1.0
174.02995	1.0
174.06146	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1064
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.00275	2.5
53.03934	6.2
54.23255	1.1
55.01859	3.5
55.05503	39.0
55.93498	3.1
56.02822	1.1
57.03429	8.6
57.07061	17.0
59.05001	6.7
60.58397	1.2
63.02333	1.1
65.03920	5.7
67.01854	17.4
67.05495	97.2
68.05825	2.3
68.99779	20.9
69.03413	5.2
69.07058	31.6
69.61477	3.1
69.61892	6.2
70.06582	1.4
70.95855	22.0
71.01341	17.5
71.04984	85.3
72.08132	1.5
72.93778	91.4
73.02903	1.2
79.05489	9.4
81.03420	8.6
81.03829	1.7
81.04514	1.6
81.07043	72.9
82.06570	1.5
82.07359	3.0
83.04964	13.6
83.08593	5.2
85.02882	2.0
85.06519	10.6
88.96880	5.0
90.94812	24.7
91.05463	4.6
93.07019	10.3
94.53873	1.3
95.01305	1.9
95.04961	34.6
95.06038	1.9
95.08594	69.1
96.05647	1.9
96.08906	2.4
97.04007	1.2
97.06517	5.9
97.10109	1.4
98.07137	1.8
98.98432	2.7
99.04444	51.3
99.08083	6.9
101.05991	2.4
105.04528	1.4
105.07002	1.3
107.08561	3.8
108.95821	2.5
109.02848	10.2
109.06513	13.2
109.10139	100.0
110.07129	1.3
110.10445	3.3
111.04424	10.1
111.08044	5.9
111.98441	6.3
112.08700	1.9
113.05988	13.2
113.09592	2.1
113.96390	38.3
114.06649	3.2
119.08543	3.8
123.04430	9.2
127.03902	14.4
127.07538	4.8
129.99493	4.5
131.96381	2.2
131.97411	33.8
131.98363	2.2
132.95818	24.0
132.97729	1.1
137.02328	9.0
137.05988	2.2
137.09608	13.8
137.13225	6.4
138.06601	2.2
140.04646	5.1
146.62331	1.1
149.97238	6.6
150.96870	53.5
154.99008	2.6
155.03372	74.4
155.07031	16.3
155.08952	23.2
155.10645	10.8
155.12880	3.6
155.14276	6.5
155.97411	4.8
156.03749	3.7
173.98460	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	155.1065
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.00307	1.7
53.03939	7.1
53.96199	1.2
54.52422	1.1
55.01860	6.6
55.05507	37.9
55.93516	2.2
56.05019	1.4
57.03433	7.7
57.07067	22.9
59.04988	6.5
65.03934	6.4
67.01860	14.9
67.05497	94.6
68.05038	2.0
68.05826	2.3
68.99434	1.8
68.99782	20.5
69.03413	3.7
69.07057	29.9
69.61169	9.6
69.96168	1.8
70.95856	18.6
71.01022	1.4
71.01353	18.9
71.04985	87.8
72.05312	1.6
72.93781	90.4
79.05482	10.1
80.06293	1.4
81.03422	7.7
81.07046	69.0
82.07382	2.1
83.01280	1.8
83.04975	14.8
83.08593	3.6
85.02895	2.3
85.06543	10.5
88.96884	5.1
90.94820	18.7
91.05471	4.6
93.03357	1.5
93.07040	9.0
95.04960	37.3
95.08598	73.8
96.08894	2.2
97.06477	3.3
97.07661	1.5
98.07189	2.3
98.98474	1.9
99.04446	49.1
99.08085	5.4
101.06004	2.9
105.04485	1.8
107.08568	4.5
108.95856	3.2
109.02853	11.0
109.06509	10.5
109.10147	100.0
110.10471	2.6
111.04443	9.0
111.08053	6.1
111.98483	6.8
112.07621	1.4
112.08693	2.6
113.02345	1.6
113.05997	12.5
113.08229	1.7
113.09610	2.8
113.96392	39.0
114.06621	2.2
119.08559	2.7
123.04420	9.2
125.02376	2.1
127.03903	15.2
127.07574	3.5
129.99496	4.7
131.96152	3.5
131.97418	36.4
132.95810	24.2
137.02353	9.2
137.06003	2.6
137.09612	13.6
137.13249	8.3
138.06668	1.8
139.07524	1.4
140.04700	7.5
140.06569	3.2
141.07019	1.6
145.17262	1.4
149.97237	5.2
150.96869	56.4
155.03384	70.2
155.07082	16.0
155.08951	28.3
155.10655	10.7
155.12997	1.6
155.14307	4.9
155.97426	2.3
156.03874	2.2
156.09071	1.7
159.13715	1.5
168.97896	2.1
173.98506	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	158.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.2
55.01870	1.0
55.05506	0.9
56.02211	0.7
56.05024	0.3
56.96560	8.5
56.96844	0.4
57.03436	1.1
57.07086	0.5
57.93562	0.3
58.06597	0.8
59.05003	0.2
59.24069	0.2
60.04510	0.2
60.95846	0.2
61.02925	0.7
67.05503	0.8
68.05026	0.4
69.03424	1.2
69.07063	0.4
69.87827	1.0
69.88249	0.4
70.06587	100.0
70.98096	0.3
71.01343	0.8
71.04978	0.4
71.06909	1.5
71.95260	1.1
72.04511	0.2
72.08154	1.2
73.02921	0.5
73.06548	0.4
74.06039	0.2
75.04472	0.3
77.00832	0.3
79.00679	0.2
81.03415	0.9
82.06611	0.2
83.01353	0.2
83.06100	0.4
84.01589	0.4
84.04511	0.7
84.08149	0.6
85.02903	1.1
86.06070	0.7
88.03981	1.0
89.00783	0.2
90.01564	0.2
91.05473	0.3
92.01318	0.3
94.06566	0.5
94.98789	0.2
95.04980	0.5
95.06076	0.4
95.66618	0.2
96.01577	0.4
96.08076	0.2
96.50606	0.3
97.02881	1.4
97.07712	0.3
97.99139	0.2
98.01304	0.4
98.06063	1.8
98.09684	0.4
98.97578	14.2
99.04472	0.6
100.02493	0.7
100.07608	0.3
101.00887	0.7
101.03437	0.3
102.02250	0.6
102.09181	0.9
103.00624	1.0
103.02409	0.2
105.02048	0.3
110.01276	0.3
111.02044	0.2
111.05589	0.4
111.09200	0.3
112.07598	30.7
113.02360	0.5
113.07924	0.6
114.05544	1.1
115.02422	0.2
116.01950	0.2
116.07085	16.3
116.97228	1.3
116.98610	16.7
117.02024	0.3
117.04022	0.4
117.07472	0.2
117.98969	0.4
118.03508	2.1
119.01905	5.7
120.02019	0.7
120.03304	0.5
121.01657	5.8
121.03487	0.3
123.05563	0.5
126.02605	0.3
127.00263	1.6
127.01589	0.2
127.03996	0.2
128.98595	0.2
129.03986	0.4
130.06491	0.4
131.00143	0.4
131.01929	1.0
131.08551	0.2
132.49744	0.2
133.03476	0.5
134.02869	1.0
134.99651	17.9
135.03181	1.4
135.05058	0.4
136.04523	0.4
137.02933	1.8
138.03113	0.3
139.02690	2.8
140.00209	0.9
140.07065	2.3
141.01794	1.2
141.06598	0.3
141.10219	0.2
142.03506	0.3
143.01904	1.2
144.03227	2.5
145.03485	0.7
146.04927	0.2
146.99655	0.4
147.01404	0.3
147.05046	0.6
149.01181	0.5
149.06578	0.7
152.03920	0.2
152.96938	0.3
153.00705	3.7
153.04237	0.6
157.03371	0.3
158.01244	1.3
158.08138	3.7
158.09630	5.0
158.11729	0.5
158.12932	0.3
158.15437	1.8
159.01649	0.2
159.02945	0.4
159.08105	0.2
159.10008	0.2
159.11678	0.5
161.02969	1.7
162.04294	1.4
173.03081	0.2
176.02408	0.4
176.04007	0.4
177.00702	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0917
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
55.01884	1.6
55.05516	0.9
56.05025	7.6
56.96565	7.3
57.03455	2.1
58.02974	1.7
58.06620	2.4
59.06118	8.1
59.93132	2.8
60.04530	3.5
67.05509	1.4
68.05048	2.8
69.03433	1.5
69.04560	1.1
70.06621	2.0
71.01370	2.2
71.05013	1.7
71.06124	1.9
71.52104	1.0
71.95282	1.2
72.04539	3.7
73.95695	1.2
74.06091	1.5
75.04489	0.8
76.04016	2.3
76.93363	4.2
81.03443	1.4
81.04542	1.2
81.07063	1.2
82.02959	0.7
83.04996	1.0
83.06091	3.4
83.08563	0.6
84.04496	6.5
85.02911	3.6
85.07677	2.3
86.02447	2.0
86.06088	2.9
87.04477	1.2
87.05627	1.0
88.04001	1.1
88.05894	0.7
91.05478	3.8
94.94405	1.2
95.04989	1.0
95.06094	4.7
95.08618	1.5
95.95195	0.8
96.04475	4.1
97.02926	1.2
97.07660	1.1
98.06092	0.7
98.97580	11.6
99.04471	1.8
99.05570	4.1
100.03991	2.7
100.07668	1.2
101.07132	1.5
102.05487	3.5
103.03980	0.6
103.05482	3.0
105.03452	0.9
105.07021	5.0
111.05565	2.2
113.02342	3.1
113.05988	1.1
113.07140	6.1
114.05523	2.6
115.05457	26.7
115.08735	1.0
116.03493	0.7
116.05006	1.6
116.05758	1.0
116.97293	1.1
116.98608	15.5
117.05769	16.1
117.06553	1.6
117.07010	2.5
117.95934	3.4
117.98946	0.9
118.05076	0.7
118.06563	5.0
118.96754	9.3
119.01899	1.5
119.08569	0.8
123.05560	1.0
126.07918	1.1
129.06987	1.3
130.06520	26.4
130.07489	0.9
131.04921	3.8
131.06874	3.1
131.08528	5.9
132.08080	100.0
133.08409	2.0
134.99649	18.4
135.97003	3.0
135.99969	0.9
140.04887	1.3
141.01820	13.0
141.06541	4.4
141.98297	1.0
142.06505	34.8
143.07031	1.6
143.08275	0.7
144.05714	0.8
144.09317	2.8
150.95729	0.9
153.00693	3.5
153.96733	2.0
154.96422	2.9
158.01237	1.2
158.08333	1.5
159.02972	1.2
159.04388	2.2
159.07745	8.4
159.09146	81.6
159.11555	9.3
160.04286	2.2
160.06216	1.5
160.07565	20.1
160.09563	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	161.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56075	0.1
60.00633	0.3
69.64187	1.1
71.27350	0.2
81.48136	0.2
82.99817	1.0
98.97570	0.2
100.02477	0.3
101.00871	17.4
102.00948	1.3
102.96866	0.3
103.00598	0.2
105.07019	0.3
118.03522	0.4
119.01910	100.0
120.01995	6.5
120.97933	0.2
121.01619	0.9
121.02344	0.4
137.02945	37.5
138.03041	3.0
139.02560	0.3
139.03487	0.2
142.03484	2.8
143.03662	2.6
144.03194	0.9
151.67839	0.2
157.03462	0.2
160.04564	0.8
161.02948	2.9
161.04634	2.5
162.03130	0.3
162.04205	0.9
179.03992	5.4
179.05608	1.0
180.05417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05843	5.4
55.01854	8.6
55.05487	5.5
56.05034	6.2
56.96563	44.7
57.03426	10.6
57.07049	6.6
59.06111	10.1
60.04520	7.0
61.02900	4.3
62.90732	3.9
67.05488	8.7
69.03421	21.5
70.06576	17.4
71.51065	6.7
72.08129	6.2
73.02905	7.8
74.06052	9.6
75.05580	4.2
79.05480	11.3
84.04498	7.5
85.02885	13.5
86.06050	7.0
87.04469	5.1
91.05471	12.6
93.07005	4.9
94.66045	4.2
97.02879	16.9
98.06059	5.3
98.97583	59.5
100.97128	4.9
101.00874	19.9
101.95027	19.9
102.04671	9.5
102.05544	7.4
102.96851	12.4
103.05430	11.2
105.07037	52.6
113.02362	15.6
113.07140	5.5
115.02335	5.0
115.05456	9.9
116.98608	31.6
118.04167	9.0
118.98163	5.0
119.01917	100.0
119.08562	8.8
119.96055	6.5
120.01983	8.1
120.06628	4.8
120.97945	6.6
121.06414	6.8
125.76882	4.5
128.98631	6.1
130.04124	6.0
131.04919	5.2
133.06480	19.8
133.10110	14.8
134.07076	6.4
134.99637	13.3
136.99232	5.1
137.02939	40.7
138.03038	5.5
138.98894	6.9
146.03600	5.1
147.04388	17.6
156.14677	4.2
158.99669	9.9
159.03276	12.8
161.02948	7.6
161.04613	16.7
161.05971	23.0
161.08266	4.2
161.09566	25.5
161.13269	7.1
162.05489	17.2
177.00732	11.8
177.04378	8.1
178.23239	4.4
179.04028	7.0
179.70531	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	161.0596
Annotation	Viburtinal
Peak:m/z	Relative Intensity
51.02372	0.5
51.48206	0.2
51.91071	0.2
53.03940	0.6
55.01869	0.5
55.05495	0.4
59.06126	0.2
63.02377	0.2
63.69765	0.2
64.34229	0.3
64.59715	0.2
67.21131	0.2
69.07059	0.4
69.91645	1.1
77.03916	0.8
77.76720	0.2
79.05496	1.4
81.07059	1.0
85.02901	0.4
89.03931	0.4
91.05471	3.5
93.07031	0.7
94.47506	0.2
95.04953	0.8
102.04633	0.6
103.05452	60.6
104.05775	1.6
105.03395	0.4
105.07021	9.0
106.07346	0.3
107.08537	0.3
115.05434	1.4
116.04961	1.5
117.05799	0.3
117.06999	1.0
118.04178	1.3
118.06533	6.6
119.04914	0.4
119.08568	5.1
120.05527	0.4
121.06430	0.8
128.06212	0.5
130.04117	0.4
131.04909	100.0
132.05220	3.3
133.06462	2.4
133.10121	3.9
134.06018	0.5
134.07109	0.7
136.83583	0.2
142.53137	0.2
143.04926	0.3
143.08543	1.1
144.04422	1.3
146.03564	1.3
146.07260	0.8
147.04453	0.6
161.05960	59.2
161.09546	4.5
161.13239	3.6
162.05473	1.9
162.06470	1.6
162.09111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.01586	0.3
51.02363	0.3
52.11413	0.2
53.03936	2.4
55.01866	4.8
55.05498	0.2
65.03925	0.6
66.04712	1.1
70.72167	0.6
70.72543	0.2
77.03918	0.9
78.04673	0.3
79.05482	20.8
80.05808	0.4
81.03395	0.3
81.07041	0.8
89.03905	1.2
90.04690	3.2
91.05465	5.8
91.06020	0.4
92.02613	0.7
93.07043	0.6
94.04168	0.4
95.04950	4.7
100.93238	0.2
102.04672	0.7
103.05452	24.4
104.05769	0.7
105.04625	1.1
105.07014	100.0
106.07346	3.2
107.04948	1.3
115.05436	28.1
116.05766	0.8
117.06994	0.4
118.04144	15.8
119.04988	0.4
119.08556	3.9
121.06433	0.3
128.06244	0.3
128.56366	0.3
130.04089	0.5
131.04916	4.3
131.08537	0.5
132.05647	1.0
133.06468	45.5
133.10078	1.8
134.06920	1.3
143.04948	0.4
143.06018	5.1
143.08475	0.3
146.03612	1.6
146.07259	0.2
147.04390	2.7
149.05942	0.4
161.05956	9.9
161.09564	2.2
161.13205	2.5
162.06738	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0595
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02374	0.7
53.03940	2.5
55.01618	0.5
55.01866	4.5
55.05489	0.5
61.42648	0.2
63.26122	0.2
65.03932	0.4
66.04710	1.3
69.07059	0.3
71.04086	0.3
71.04402	0.3
77.03923	0.6
79.05484	20.2
80.05807	0.6
81.07043	1.2
83.09859	0.2
89.03915	1.1
90.04693	2.6
91.05473	6.5
92.02632	0.6
93.07056	0.5
94.04216	0.3
95.04961	4.4
102.04676	1.0
103.05457	24.9
104.05733	0.6
104.06339	0.4
105.04616	1.4
105.07018	100.0
106.07351	2.8
107.04945	0.9
111.90283	0.3
115.05441	27.6
116.05780	0.8
117.06999	0.3
118.04147	15.0
119.04964	0.7
119.08563	5.3
121.10120	0.3
130.04106	0.8
131.04916	6.7
131.08513	0.5
132.05684	1.1
133.06476	44.0
133.10123	2.6
134.06769	1.4
143.04926	0.4
143.06021	5.1
143.08530	0.4
146.03622	1.8
146.07236	0.4
147.04393	2.2
161.05966	10.5
161.09624	1.9
161.13243	4.1
162.06668	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02372	0.7
53.03942	3.0
55.01863	5.0
65.03927	0.5
66.04717	2.0
68.02647	0.3
70.95506	0.8
77.03911	1.0
79.05487	22.8
81.03419	0.4
89.03912	1.0
90.04682	4.4
90.05193	0.5
91.05476	5.1
92.02606	1.2
95.04957	5.0
102.04662	1.0
103.05457	28.3
104.05753	0.6
105.04518	1.2
105.07020	100.0
106.07344	2.6
107.04925	1.3
109.26978	0.3
115.05444	31.8
116.05724	0.4
118.04151	22.9
119.08556	0.6
119.62991	0.4
131.04910	4.9
132.05699	1.3
133.06477	49.8
133.10062	0.9
134.06822	1.2
140.49390	0.4
143.04979	0.5
143.06039	4.5
145.50713	0.3
146.03571	0.5
161.05962	9.2
161.09520	0.8
161.13231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03940	1.5
55.01858	0.6
55.05504	7.1
65.03931	0.7
66.04700	0.5
67.05499	3.5
69.03428	0.8
69.07066	9.2
70.24384	0.9
70.24757	1.6
77.03915	0.5
78.04685	0.5
78.93134	0.5
79.05487	7.3
81.07045	7.7
91.05477	21.3
92.05826	0.8
93.07037	6.9
95.04939	1.3
95.08601	1.9
102.04668	1.7
103.05463	7.0
104.06242	1.1
105.07022	74.4
106.07334	2.4
106.59147	0.5
107.08589	3.0
110.98251	0.4
115.05423	4.9
116.06232	0.6
117.07004	5.9
118.04159	5.8
118.07779	0.5
119.04945	2.7
119.08570	100.0
120.08123	0.6
120.08778	2.3
121.06472	0.9
121.10143	1.6
128.06186	1.1
130.04108	2.2
130.07758	0.6
131.04927	4.8
131.08549	6.3
132.05644	0.7
132.09343	1.0
133.06499	8.6
133.10118	34.8
134.07277	3.0
134.10458	1.2
137.96864	0.5
143.04958	0.6
143.08577	1.0
145.10069	0.7
146.03613	10.9
146.07224	1.4
146.10892	3.3
147.04407	11.7
159.11639	2.5
161.04619	1.1
161.05963	16.2
161.07262	1.0
161.09598	6.8
161.13245	62.6
162.05519	0.9
162.06752	7.3
162.08955	0.6
162.13625	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	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03938	0.9
55.05517	4.0
66.96590	0.6
67.05486	2.2
69.07064	5.1
70.56196	1.9
70.56545	0.7
79.05475	4.9
81.07047	11.8
91.05473	21.2
93.07034	5.7
95.08609	1.4
103.05477	2.1
104.06302	0.6
105.07021	93.9
106.07355	1.5
107.08581	1.9
108.47766	0.7
112.81790	0.6
115.05428	1.2
117.07020	4.6
118.07813	1.3
119.08569	100.0
120.08876	2.5
121.10138	1.7
131.08562	3.8
132.09346	1.2
133.06448	1.1
133.10115	25.1
138.42868	0.6
145.10175	0.8
146.10884	2.3
147.04402	0.9
159.11690	1.7
161.05959	2.3
161.13243	50.5
161.96996	0.8
162.06781	0.9
162.13606	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	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03946	0.8
54.66732	0.4
55.05509	5.1
59.60338	0.4
65.03910	0.5
67.05487	1.4
69.07059	6.0
69.70050	0.4
70.87859	1.2
77.03886	0.4
79.05488	4.2
81.07052	5.6
91.05472	12.8
92.05817	0.5
93.07018	3.2
94.44157	0.4
95.04932	0.5
95.08601	0.8
103.03938	0.5
103.05432	2.3
104.06277	0.5
105.07021	75.4
106.07333	2.1
107.08567	2.3
114.65439	0.4
115.05457	1.0
117.07005	4.0
118.04163	1.7
119.08569	100.0
120.08862	2.1
121.10139	1.8
130.04112	0.4
130.07677	0.4
131.04945	0.9
131.08556	3.5
132.09308	0.6
133.06493	3.0
133.10118	27.1
134.07164	0.6
134.10480	1.5
144.09398	0.5
145.10094	1.3
146.03604	2.0
146.10873	2.1
147.04427	3.4
159.11707	3.4
161.05974	3.9
161.09671	2.2
161.13239	65.2
162.05501	0.5
162.06682	2.2
162.13559	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	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05507	3.5
58.72252	0.4
67.05496	1.6
69.07061	5.0
69.84380	0.9
69.84792	1.7
75.02814	0.4
75.55690	0.5
77.03914	0.6
79.05483	5.0
81.07047	8.1
83.08638	0.6
84.68676	0.5
89.67497	0.5
91.05471	16.9
93.07043	4.2
95.04979	1.1
95.08582	0.9
98.21503	0.6
103.05466	3.0
104.06228	0.7
105.07020	77.6
106.07349	2.0
107.08575	1.9
115.05459	1.8
117.07023	5.2
118.04145	0.6
118.07829	0.5
119.08568	100.0
120.08167	0.5
120.08878	2.6
121.10133	2.2
130.04103	0.5
131.04871	1.1
131.08546	4.0
132.09355	0.5
133.06461	1.7
133.10115	24.8
134.07259	0.5
134.10454	1.0
136.65031	0.4
145.10168	1.1
146.03635	1.6
146.10855	1.7
147.04401	2.1
159.11697	1.8
161.05981	4.0
161.09624	2.4
161.13239	48.5
162.06747	1.3
162.13591	1.6
175.51840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.3
51.02382	0.3
53.03931	0.2
55.01854	0.3
63.02357	0.2
65.03931	0.5
70.56443	0.5
74.06061	0.2
74.24661	0.1
77.03908	0.2
78.04691	0.3
79.05504	1.0
81.07027	0.2
85.02904	0.3
89.03932	0.6
91.05471	17.5
92.02680	0.2
92.05830	0.3
93.07010	0.3
95.04955	0.5
102.04676	27.7
103.05480	4.7
104.06247	1.1
105.03365	0.2
105.07015	1.3
105.32866	0.1
106.06697	0.2
106.07363	0.9
107.04970	0.7
107.08583	0.5
109.83066	0.1
115.05445	0.3
116.06218	0.5
117.03346	0.4
117.06993	0.3
118.06540	0.6
119.04931	24.3
120.05280	0.6
120.08884	0.3
121.10159	0.3
130.04132	42.4
131.04970	4.5
132.05707	1.7
133.02792	0.7
133.06496	1.2
134.05959	0.3
134.07224	0.6
134.10471	0.2
135.04387	1.6
135.08066	0.8
144.05650	0.3
145.02814	0.4
145.06474	0.2
147.04393	100.0
148.04721	2.6
161.05983	2.1
162.06740	47.0
163.03902	3.3
163.07396	2.3
163.11208	0.6
163.14796	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0387
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03942	2.8
63.02388	2.0
70.05163	2.4
75.58694	0.7
79.05484	10.4
89.03908	71.4
90.04241	2.0
95.04989	3.1
103.05463	2.9
107.04931	14.6
117.03368	59.5
118.03695	1.8
131.04916	2.8
135.04398	100.0
136.04738	3.0
145.02827	42.0
146.03151	1.1
149.05983	0.8
158.06094	0.7
160.44656	0.7
163.03883	77.6
164.04239	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02379	0.6
53.03947	2.3
54.36303	0.4
55.01870	1.3
55.05502	1.2
57.03421	0.5
57.07071	0.6
60.23434	0.4
63.02378	0.5
65.03939	0.5
67.05489	1.1
69.03419	1.1
69.07063	4.4
71.52376	0.4
77.03912	1.3
79.05484	7.5
81.03409	0.8
81.04536	0.4
81.07044	3.4
82.48206	0.3
83.08600	1.6
85.02905	1.7
89.03909	6.4
89.59258	0.4
91.05471	5.6
92.02586	0.5
93.07041	8.7
95.04967	4.4
95.06068	0.6
95.08613	2.8
96.34151	0.5
103.05458	85.0
104.05721	2.7
104.06386	0.5
105.03376	1.4
105.04512	0.8
105.07025	5.3
107.04946	6.2
107.08587	18.0
109.06541	0.6
109.07652	0.4
115.05463	1.1
117.03368	4.5
117.07003	1.6
119.04905	0.6
119.08581	2.3
120.05696	0.7
121.06512	2.0
121.10139	10.1
122.07140	0.6
122.10416	0.4
123.07995	0.5
130.07776	0.7
131.04918	100.0
132.05194	3.3
133.02846	5.0
133.06447	1.1
135.04404	16.1
135.08049	3.6
135.11671	5.5
136.04770	0.5
136.07608	0.6
145.02866	3.4
145.06456	1.3
145.10110	1.8
148.05199	0.7
149.05974	2.2
163.03889	29.6
163.07529	42.7
163.09763	1.5
163.11142	7.1
163.14795	5.9
164.04219	1.2
164.08138	2.1
164.15089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	beta-Dolabrin
Peak:m/z	Relative Intensity
51.02378	1.6
53.00320	0.9
53.03941	12.0
55.01867	8.8
55.05505	1.3
57.86630	0.7
65.03940	2.6
67.05495	1.4
69.07068	1.1
69.40670	6.2
77.03931	2.0
78.04718	2.3
79.05483	42.5
80.05846	1.2
81.03416	1.2
81.07043	2.0
89.03859	0.9
91.05471	30.4
92.02629	3.3
92.05764	1.0
92.06281	5.3
93.07040	9.5
95.04958	17.5
95.08599	1.5
100.02450	1.7
102.04675	1.7
103.05456	42.0
104.05626	0.9
104.06252	15.5
105.03410	6.3
105.04528	3.8
105.07019	74.9
106.07355	3.1
107.04947	9.8
107.08575	10.8
109.06499	1.9
115.05468	2.1
117.06992	2.2
118.04163	2.6
119.04945	11.3
119.08594	1.0
120.05727	11.3
121.06499	20.0
121.10151	2.8
123.08048	7.7
131.04916	21.3
132.05704	16.5
133.02840	28.5
133.06479	11.4
133.07588	3.3
134.03207	1.2
135.04410	25.4
135.08038	100.0
136.04787	0.8
136.08376	4.5
138.03120	0.9
145.06464	3.4
145.07547	1.0
145.10080	1.3
147.04382	2.4
147.08047	2.9
148.05202	17.8
149.05974	37.3
158.49872	0.7
163.03885	80.2
163.07523	51.4
163.11148	3.8
163.14815	2.1
164.04242	3.2
164.08328	21.9
182.77861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	beta-Dolabrin
Peak:m/z	Relative Intensity
51.02367	0.5
53.03942	4.5
55.01873	3.1
55.05498	1.3
65.03928	0.8
67.05499	1.0
69.07056	2.3
70.22959	0.9
70.23348	0.8
77.03934	1.4
78.04729	0.7
78.34337	0.4
79.05486	25.6
79.96216	0.4
80.05827	0.5
81.03419	0.9
81.07050	3.5
83.08630	0.6
91.05470	12.8
91.06009	0.8
92.02604	1.8
92.06269	2.1
93.07037	7.6
93.26474	0.4
95.04962	10.3
95.08595	3.5
100.02494	0.7
100.48370	0.4
103.05461	20.9
104.06263	5.0
105.03399	3.1
105.04504	2.3
105.07021	59.8
105.31556	0.5
106.06684	0.4
106.07341	2.1
107.04953	4.8
107.08585	14.6
109.06496	1.1
113.96410	0.6
115.05459	0.9
117.03409	0.5
117.07008	1.4
118.04169	0.6
119.04947	3.2
119.08540	0.9
120.05734	8.9
121.02769	0.5
121.06519	7.1
121.10122	4.4
123.08085	3.1
126.31549	0.4
131.04918	7.0
132.05734	3.6
133.02840	11.9
133.06461	3.5
133.07617	1.3
135.04419	13.2
135.08040	100.0
135.11664	1.5
135.70091	0.5
136.08408	3.9
138.03099	1.0
145.06448	1.2
145.10138	0.5
147.04384	0.8
147.08037	1.0
148.05202	5.4
149.02251	0.6
149.05969	13.1
157.76726	0.4
163.01877	0.7
163.03891	40.2
163.07526	43.2
163.11153	2.9
163.14799	6.0
164.04225	1.5
164.08293	7.4
182.52751	0.3
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	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02375	0.5
53.03929	1.4
55.01855	0.8
55.05503	0.8
63.02343	0.4
67.05478	0.6
68.99767	0.6
69.03405	0.5
69.07041	0.9
69.34985	3.2
73.00283	0.3
73.66026	0.3
74.92362	0.3
77.03920	0.9
79.01848	0.5
79.05484	4.0
80.30367	0.3
81.07041	1.7
83.08603	0.6
84.67940	0.3
89.03904	3.7
91.05471	2.7
92.02637	0.4
92.05773	0.5
93.07019	2.7
95.04947	2.0
95.08598	1.3
102.04631	0.7
103.05451	87.3
104.05712	2.2
105.03386	0.5
105.04491	0.7
105.07004	3.0
107.04935	6.4
107.08569	5.5
108.05305	0.3
115.05421	0.8
117.03358	2.0
117.07004	0.6
119.04976	0.3
119.06013	0.5
119.08569	0.6
120.05289	0.6
121.02853	1.2
121.06487	1.1
121.10117	2.2
123.07917	0.4
131.04910	100.0
132.05194	3.9
133.02834	1.6
133.06465	0.5
135.04390	7.4
135.08040	3.3
135.11670	1.0
145.02834	2.0
145.06462	0.5
145.10057	1.1
147.04311	0.4
148.04703	3.5
149.04941	0.4
149.05922	2.0
163.03879	22.4
163.07520	42.7
163.11108	2.6
163.14780	2.9
164.04202	0.8
164.07971	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	beta-Dolabrin
Peak:m/z	Relative Intensity
53.03943	4.6
54.58184	0.4
55.01867	2.7
55.05505	1.2
64.75507	0.4
65.03941	0.9
67.05499	1.2
67.23016	0.4
69.07053	2.7
70.85723	1.1
72.93781	0.7
77.03937	1.2
78.04721	0.9
79.05486	25.1
81.03407	0.5
81.07053	6.0
83.08612	1.3
91.05476	9.5
92.02623	1.1
92.06262	1.3
93.07040	7.4
95.04961	8.7
95.08598	3.8
103.05457	20.1
104.06277	2.7
105.03398	1.6
105.04529	2.0
105.07022	63.4
106.07355	2.8
107.04939	4.8
107.08591	15.6
109.06558	0.8
113.96407	0.9
115.05470	0.9
117.07042	0.9
119.04908	2.0
120.05727	9.4
121.06499	5.3
121.10146	4.6
123.08037	2.7
131.04933	6.0
131.97447	0.7
132.05713	2.8
133.02841	9.2
133.06473	3.2
133.07530	0.9
135.04430	9.4
135.08040	100.0
135.11708	1.6
136.04813	0.6
136.08405	4.0
137.05907	0.5
138.03081	0.5
145.06523	0.5
147.08060	0.8
148.05202	3.4
149.05980	9.1
155.70689	0.4
156.31908	0.4
163.03894	32.4
163.07529	45.0
163.11168	2.3
163.14796	7.7
164.04196	1.7
164.08313	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	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.33035	0.3
51.02378	0.6
53.03939	1.6
55.01857	0.7
55.05500	0.7
58.26078	0.3
67.01844	0.3
67.05498	0.8
68.99780	0.6
69.03432	0.5
69.07058	1.2
70.37879	1.2
77.03922	0.9
79.01824	0.4
79.05489	5.9
81.03394	0.4
81.07042	2.5
83.08646	0.3
85.02880	0.4
85.92051	0.3
89.03911	5.4
90.04251	0.5
91.05473	3.6
93.07029	4.1
95.04964	3.3
95.06076	0.4
95.08592	1.5
103.05457	82.1
104.05752	2.5
104.06363	0.3
105.03403	0.7
105.04517	0.7
105.06341	0.2
105.07024	5.3
107.04948	5.8
107.08586	7.2
109.06462	0.3
115.05450	0.9
117.03371	4.6
117.06986	1.5
118.06541	0.3
119.04974	0.4
119.06017	0.4
119.08567	0.6
120.05744	0.8
121.02856	1.3
121.06494	1.7
121.10130	3.4
123.07979	0.6
130.07788	0.4
131.04915	100.0
132.05197	3.4
133.02832	1.8
133.06462	0.7
135.04401	12.3
135.07124	0.5
135.08044	7.2
135.11658	1.2
136.04723	0.4
145.02835	3.8
145.06508	0.6
145.10089	1.4
146.06976	0.3
147.04552	0.3
148.05157	0.8
149.05988	1.7
163.03893	23.9
163.07530	45.4
163.11128	4.6
163.14772	3.7
164.04301	0.9
164.08081	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25219	0.8
51.02371	1.2
53.03942	6.7
54.03451	1.0
55.01863	5.0
55.05507	13.9
57.03430	1.6
57.07069	23.7
61.02906	1.1
63.02350	1.7
65.03919	2.1
67.05486	3.1
68.05016	1.3
68.99773	1.7
69.03417	4.9
69.07059	4.9
69.34915	3.8
69.35342	3.8
71.04969	0.9
77.03902	1.3
79.05482	25.8
81.03407	2.1
81.04521	1.6
81.07045	10.9
83.04945	1.2
83.06110	0.9
83.08587	3.4
85.02896	7.8
89.03905	43.7
89.05479	1.2
89.06021	19.0
90.04238	1.3
91.05468	20.5
92.02585	1.4
93.03377	0.8
93.04488	1.3
93.07030	22.3
95.04960	11.7
95.06097	2.0
95.08597	4.9
96.06905	1.0
97.02889	1.7
97.07673	1.3
99.04445	1.2
100.02462	1.0
101.09649	2.9
103.05453	71.5
104.06297	4.8
105.03364	2.1
105.04498	3.5
105.07020	19.9
107.04942	35.9
107.06050	1.7
107.07042	2.7
107.08572	24.7
108.05591	0.9
109.02850	0.8
109.06495	2.3
115.05441	3.4
117.02518	1.5
117.03357	30.7
117.07005	7.8
119.04927	3.2
119.08562	7.5
120.05685	4.1
121.02848	2.5
121.06504	8.5
121.10133	16.0
122.07127	4.9
123.07922	2.0
127.03850	1.2
127.07554	1.3
129.06998	1.0
130.06560	0.7
130.07753	2.8
131.04910	68.9
132.05618	1.7
133.02829	9.8
133.06473	4.8
135.04398	80.8
135.08037	23.3
135.11693	5.0
136.04733	2.8
136.07538	5.8
136.08607	3.2
145.02834	23.8
145.03889	1.6
145.06464	3.6
145.07535	1.2
145.10101	15.6
146.07092	1.4
147.08043	1.1
148.05144	2.1
149.05942	11.2
158.05957	0.9
163.03880	100.0
163.07526	35.1
163.09750	7.9
163.11159	25.0
163.14798	8.5
164.04283	2.4
164.07047	1.9
164.08249	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	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02376	1.4
53.03942	8.7
55.01858	5.9
55.05507	5.5
57.07072	1.8
65.03934	1.5
67.05502	4.8
69.03409	1.0
69.07060	15.5
70.78786	0.8
70.79115	1.2
71.08623	0.8
72.93783	3.0
77.03924	2.4
78.04705	2.4
79.05486	29.9
79.32578	0.7
80.05823	1.4
81.03439	0.7
81.07049	29.3
83.08606	5.2
83.81635	0.6
89.03914	1.2
90.94817	1.1
91.05469	17.9
92.02615	3.7
93.07034	40.2
94.07377	1.0
95.04961	18.1
95.08601	19.5
100.02473	0.9
103.05458	16.3
104.06252	14.2
105.03396	6.6
105.04495	4.3
105.07024	14.2
106.07346	0.8
107.04958	8.7
107.08581	84.2
108.08902	2.3
109.06518	2.5
109.10152	1.8
113.96388	2.2
115.05467	0.7
117.03383	0.8
117.07016	2.5
118.03452	1.4
119.04932	4.0
119.05915	0.9
119.08585	2.4
120.05710	2.4
121.02821	1.2
121.06499	16.4
121.10130	25.7
122.10461	1.5
123.08054	1.5
130.07822	0.6
131.04921	22.2
131.97417	2.7
132.05699	8.6
132.08098	0.8
133.02843	31.2
133.06496	9.7
134.03195	1.5
135.04402	29.7
135.08040	9.1
135.11670	9.2
136.04758	1.2
136.12054	0.6
138.03145	1.5
145.06483	2.0
145.10121	1.4
147.04401	1.0
147.08037	2.2
148.05220	5.0
149.02431	1.0
149.05965	39.6
154.98891	0.8
163.03886	100.0
163.07516	19.2
163.11147	6.9
163.14809	39.4
164.04300	5.6
164.07097	1.6
164.08308	19.1
164.15176	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.84897	0.9
51.02386	1.6
53.03943	5.3
53.39145	0.8
55.01857	2.4
55.05504	9.2
57.03429	1.0
57.07064	3.9
62.82318	0.9
65.03922	2.3
67.05482	3.6
69.03410	2.5
69.07062	24.1
71.53065	2.2
77.03918	1.9
79.05061	1.7
79.05483	22.0
81.07045	11.6
83.08602	10.9
85.02897	1.7
89.03911	18.6
90.04234	1.4
91.04890	1.2
91.05470	18.8
92.02615	2.0
93.07034	35.1
95.04949	8.4
95.08595	10.7
103.05456	89.5
104.05791	4.6
105.03377	1.4
105.04512	1.8
105.07016	23.1
107.04952	10.6
107.08582	95.0
108.08861	1.9
109.06499	3.2
109.10144	2.2
115.05421	1.6
117.03367	13.2
117.06982	3.5
119.04903	1.7
119.06054	1.1
119.08559	13.4
120.02049	1.1
120.05680	1.4
120.09344	1.0
121.02819	1.6
121.06503	3.6
121.10130	82.2
122.10466	2.8
123.08020	3.1
130.07744	1.7
131.04915	100.0
132.05266	4.0
133.02831	6.6
133.06509	1.3
133.07617	1.2
133.10086	1.2
135.04405	32.3
135.08038	5.6
135.11671	40.7
136.04727	1.9
136.07518	1.2
136.12021	1.2
145.02837	9.0
145.06470	1.7
145.10107	4.8
148.05176	1.3
163.03891	56.2
163.07532	46.9
163.09795	1.9
163.11130	15.9
163.14799	25.6
164.04242	3.5
164.08051	1.8
164.15141	1.2
169.33699	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88549	0.7
53.03957	2.7
55.01867	14.1
55.05521	0.9
60.49557	0.6
63.92948	1.0
65.03947	1.1
69.03448	1.0
70.57945	2.3
77.03940	0.9
78.04710	3.8
78.95302	1.4
79.05489	5.1
80.05032	1.0
80.05853	0.6
81.03426	0.9
81.04528	0.7
81.07056	1.4
83.06123	0.7
89.03941	1.8
90.04244	7.1
90.04713	0.8
91.05476	20.4
93.07042	12.1
95.04977	5.4
101.00880	1.1
103.05462	21.3
104.06246	41.4
105.03413	0.9
105.04543	1.2
105.07063	5.7
107.04966	4.4
108.05244	1.4
109.06519	1.2
117.03345	0.8
118.03664	4.9
119.01910	6.0
119.04932	16.2
119.08560	1.3
119.97868	0.6
121.06495	42.1
122.03646	0.9
122.06058	0.9
122.06867	1.1
122.94212	1.3
123.04424	1.7
131.04921	35.7
132.05733	14.9
133.02841	1.7
133.06485	25.4
135.04398	3.4
136.04749	10.8
136.07545	2.0
136.08519	0.8
137.02933	1.8
137.05992	8.2
137.06990	1.2
140.95317	0.6
142.03476	4.3
146.03154	4.0
147.03429	0.5
147.04395	28.6
147.08051	6.0
149.05969	100.0
150.06319	2.8
160.04541	1.2
163.07516	2.8
164.04311	8.9
164.07085	3.9
164.08315	53.8
165.01790	0.8
165.05513	4.4
165.08862	2.4
165.75925	0.6
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
54.74508	0.3
60.00638	0.3
70.94343	0.6
70.94678	0.6
73.34729	0.3
82.99815	1.8
100.02467	1.0
101.00866	26.4
118.03519	0.4
119.01904	100.0
120.01992	3.0
121.02339	0.4
122.96539	0.3
124.02415	3.0
137.02939	25.8
137.79703	0.3
138.03081	0.7
139.03387	0.3
142.03481	45.6
143.02518	0.4
143.03600	1.8
160.04530	14.4
165.05109	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99134	0.4
55.01850	0.7
56.96561	3.4
57.03424	1.3
58.99872	0.4
61.02925	0.5
62.48072	0.4
67.05489	0.4
69.03422	1.2
70.36691	1.6
71.95250	0.5
73.02878	0.4
75.86936	0.4
77.89116	0.3
79.04996	0.4
79.05470	0.6
81.03416	0.8
81.07065	0.5
82.01437	0.5
82.99841	1.5
83.04977	1.1
85.02906	0.8
88.05250	0.4
91.05482	1.8
95.04939	2.0
97.02866	1.3
98.97572	0.8
100.02480	1.7
101.00870	24.0
101.05997	0.8
102.00941	0.9
103.75485	0.4
104.05735	0.4
109.06457	0.4
115.02426	1.7
116.98623	0.4
117.03984	0.6
118.03500	0.9
119.01910	100.0
119.04881	2.7
120.01981	4.1
120.93237	0.4
121.02379	0.5
122.06827	0.8
123.04450	2.9
124.02412	3.5
131.01900	0.6
132.05133	0.5
133.03447	1.8
134.06839	0.6
137.02946	31.7
138.03067	1.4
142.03487	57.4
143.01869	0.8
143.03656	2.8
147.04369	3.9
149.05896	0.4
150.06277	1.9
151.90778	0.4
153.72252	0.4
157.03319	0.4
160.04549	19.7
161.02946	2.4
161.04648	1.4
165.05115	1.9
165.08708	0.8
173.03008	0.5
179.04001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	Caffeic aldehyde
Peak:m/z	Relative Intensity
51.02374	2.0
53.03941	11.5
55.01878	2.2
55.05498	1.2
65.03929	3.6
66.04391	0.7
66.04716	13.7
67.05484	2.1
68.99760	1.1
69.03423	3.9
69.64938	3.4
77.03908	4.2
78.04679	1.9
79.05484	33.5
81.03384	1.5
81.07040	6.5
82.04175	0.9
83.04963	0.7
91.05478	8.5
92.02615	2.9
92.06260	1.0
93.07026	1.5
93.75132	0.5
94.04177	20.8
95.04958	18.3
95.08579	2.1
98.03660	1.2
101.00875	0.8
103.05451	4.0
104.06218	1.4
105.03403	2.4
105.04501	4.4
105.07024	14.5
107.01313	1.7
107.04945	9.2
107.08566	1.2
109.02856	2.6
109.05789	0.9
109.06496	12.5
109.10136	2.0
111.00777	1.1
118.04139	1.5
119.01906	3.5
119.04923	5.7
119.08572	1.9
120.05723	3.3
120.91119	0.4
121.02858	5.6
121.06490	8.9
121.10051	0.5
122.03633	19.9
122.07273	5.0
123.08043	1.6
123.11682	0.7
126.03115	3.0
131.04863	0.6
132.05688	0.5
133.02859	0.8
133.06503	5.4
133.07491	0.8
134.07288	3.6
135.04399	5.1
135.08044	3.1
137.02959	0.9
137.05974	4.2
137.09570	2.0
141.05429	1.0
142.03482	2.2
147.04385	5.8
147.11635	0.9
149.05974	5.3
150.04948	0.6
150.06750	18.4
154.02588	1.8
155.07013	23.3
156.07315	0.7
165.05447	100.0
165.06586	7.1
165.09087	53.4
165.12685	2.3
166.05768	3.1
166.09450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Caffeic aldehyde
Peak:m/z	Relative Intensity
51.02372	1.7
53.03712	0.8
53.03943	11.2
55.01855	1.0
55.05500	0.7
61.26115	0.6
65.03928	3.4
65.54976	0.6
66.04716	11.9
66.91859	0.6
67.05479	2.5
67.05824	0.6
68.99774	1.1
69.03429	3.3
70.25848	2.2
77.03915	3.0
78.04690	1.1
79.05487	31.1
81.03395	2.2
81.07049	5.8
82.04217	0.8
91.04962	1.1
91.05476	12.6
92.02630	3.6
92.06286	0.6
93.07017	0.9
94.04177	17.9
95.04963	16.3
95.08592	1.6
98.03679	1.0
98.20748	0.8
101.00885	1.7
103.05461	7.3
104.06250	1.3
105.03420	2.9
105.04514	4.2
105.07027	19.2
107.01301	1.2
107.04948	6.8
107.08591	1.1
109.02853	2.2
109.06505	11.8
109.10133	1.8
110.54918	0.6
111.00790	0.9
118.04149	3.1
119.01913	9.0
119.04935	16.5
119.08563	1.4
120.05745	3.1
121.02872	5.1
121.06503	6.7
122.03638	19.7
122.07298	3.4
123.04415	0.7
123.08038	1.5
126.03113	3.3
133.02785	0.7
133.06487	10.1
134.07272	8.2
135.04391	7.5
135.08043	4.0
137.02968	4.0
137.05960	4.7
137.09570	0.9
141.05466	1.0
142.03476	5.5
142.96658	1.0
147.04401	26.7
147.08023	1.0
149.05951	1.7
150.06760	28.6
154.02531	1.3
155.07016	23.5
156.07335	0.6
160.04562	1.7
165.05460	100.0
165.06624	6.4
165.09102	56.3
165.12729	1.8
166.05817	1.4
166.09489	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	cis-3-coumaric acid
Peak:m/z	Relative Intensity
51.02372	0.9
53.03939	8.3
55.01862	0.9
55.05500	1.0
65.03927	3.5
66.04379	0.7
66.04719	9.6
66.60647	0.3
67.05153	0.3
67.05487	2.1
69.03420	2.6
69.07073	0.6
69.99209	2.0
70.06567	0.3
77.03922	2.9
78.04700	0.4
78.98541	0.4
79.01836	0.6
79.05486	19.3
81.03415	1.4
81.07051	4.9
82.04204	0.5
83.04967	0.7
91.05475	30.4
92.02624	2.3
92.05795	0.5
93.07055	1.1
94.04181	13.6
94.04780	0.7
95.04961	13.8
95.08598	1.5
98.03683	0.6
103.05443	0.9
105.03378	2.1
105.04500	3.4
105.07024	2.9
107.01315	1.3
107.04947	1.9
107.08592	1.1
109.02872	1.5
109.06509	10.0
109.10149	1.4
111.00768	0.6
119.01976	0.8
119.04930	57.1
119.08567	1.9
120.05270	0.8
121.02852	3.6
121.06479	0.5
121.10107	0.9
122.03640	12.7
122.07235	0.8
123.04394	1.4
123.08032	1.0
123.11677	0.8
126.03095	2.5
129.11115	0.4
133.02879	0.5
133.06509	1.1
135.04388	0.8
137.05954	3.3
137.09608	2.7
141.05440	0.5
142.03487	0.8
147.04393	100.0
147.11676	0.7
148.04727	2.7
154.02628	1.1
155.07018	15.7
156.07346	0.7
165.05452	67.0
165.06578	4.8
165.09030	2.6
165.12671	2.1
166.05849	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02376	0.4
53.00293	0.5
53.03939	2.8
54.36502	0.4
55.01855	1.2
55.05499	1.6
56.05013	0.4
57.03430	0.4
65.03931	2.3
66.04710	2.9
67.05496	4.4
69.03423	2.7
69.07041	0.7
70.06586	0.4
70.56389	1.1
77.03931	1.1
79.05482	9.1
81.03419	0.9
81.07043	5.4
82.04191	0.4
83.04959	0.9
83.06094	0.5
85.02905	0.6
91.05471	29.6
92.02609	0.6
92.28907	0.4
93.07066	2.3
94.04175	4.8
95.04953	6.7
95.08585	4.1
98.03683	0.5
101.00852	0.5
103.05447	1.3
105.03393	0.8
105.04498	1.1
105.07029	7.2
107.01259	0.4
107.04946	1.3
107.06082	0.5
107.08577	2.4
108.05692	0.3
109.02866	0.9
109.06509	4.5
109.10149	4.0
117.07054	0.4
119.01936	2.9
119.04927	53.4
119.08567	5.9
120.05307	1.2
120.08039	0.7
120.08839	0.3
121.02851	1.1
121.06490	0.8
121.10131	1.4
122.03631	4.8
122.07207	0.9
123.04438	2.8
123.08060	2.2
123.11687	0.9
123.26340	0.3
124.08746	0.5
126.03117	0.4
133.02856	2.4
133.06485	4.2
134.07021	0.3
135.04424	1.1
137.02937	0.9
137.05000	0.4
137.05952	8.1
137.09607	2.7
142.03487	1.4
147.04390	100.0
147.08031	1.8
147.11726	1.2
148.04756	2.6
148.08665	0.6
150.06654	1.3
154.02641	0.4
155.07010	5.2
160.04532	0.6
165.05457	26.8
165.06650	1.9
165.09088	7.8
165.11372	0.7
165.12750	3.7
166.06004	0.4
166.08630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
51.02360	0.6
53.03942	2.2
55.01863	4.1
55.05513	0.8
56.05033	0.9
65.03933	2.2
66.59686	0.5
67.05505	2.7
68.05025	1.3
69.03429	1.1
70.06567	0.6
70.84149	1.2
70.84478	0.5
76.82293	0.4
77.03912	0.8
79.05486	22.3
80.04976	0.5
81.03375	0.5
81.04538	1.4
81.07059	3.6
82.06562	0.9
83.06092	1.9
85.06527	0.5
85.07664	0.5
88.61070	0.5
91.05469	13.4
93.03378	1.2
93.07054	1.3
94.04173	2.3
94.04706	0.5
95.04951	6.6
95.08592	1.5
97.07678	1.0
98.07162	1.0
101.00870	0.9
103.05462	13.8
105.04516	1.3
105.07022	100.0
105.82385	0.5
106.07341	2.4
107.04984	2.9
107.06089	0.9
107.08587	1.3
109.02842	1.0
109.06527	5.9
109.07628	1.1
109.10130	1.9
111.04422	1.6
115.05412	1.0
117.07034	0.7
119.01916	5.7
119.04935	15.0
119.08559	5.0
120.08080	0.6
121.06537	0.7
121.07604	1.4
122.03634	6.6
122.07149	1.7
123.04421	2.2
123.08054	1.9
124.02420	0.6
124.05209	5.3
124.08733	1.8
125.09553	0.7
133.02846	1.5
133.06479	65.6
134.06795	2.4
135.04402	1.7
137.02960	2.0
137.05962	94.9
137.09598	1.9
138.05409	0.7
138.06305	2.7
142.03523	2.6
147.03220	1.1
147.04396	22.6
147.08058	2.2
147.11665	0.6
148.04745	1.5
148.08688	1.9
150.06627	2.0
151.07542	0.8
160.04541	0.7
163.50609	0.5
164.40424	0.5
165.01819	1.0
165.05492	5.7
165.09096	27.4
165.11362	2.3
165.12633	0.9
166.08549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	Eugenol
Peak:m/z	Relative Intensity
51.02386	0.6
52.24917	0.4
53.03933	0.9
55.01853	0.9
59.29898	0.3
60.80403	0.3
65.03937	0.5
66.04707	0.9
67.05492	2.3
69.03415	0.7
69.60416	0.9
69.60822	2.5
77.03917	1.1
78.04689	1.2
79.05490	14.5
81.07051	2.4
83.04962	0.4
89.52827	0.4
91.05473	9.1
92.06273	1.8
93.07067	1.9
94.04203	1.3
94.07793	0.9
95.04959	4.1
95.08594	1.4
103.05460	8.1
104.06246	2.8
105.03388	1.8
105.04496	0.5
105.07025	24.6
107.04947	12.9
107.05508	0.3
107.08552	1.9
108.05733	0.5
109.06541	2.0
109.07158	0.4
109.10136	1.8
113.08997	0.4
115.05435	0.6
118.04154	2.9
119.01906	1.8
119.04942	6.5
119.08560	1.4
120.05720	6.2
121.06493	17.7
122.03644	1.0
122.07293	10.8
123.04417	0.9
123.08025	1.5
131.04921	0.5
132.05676	0.8
133.02788	0.7
133.06500	7.9
133.07500	0.5
134.07268	4.8
135.04391	6.4
135.08051	6.3
137.02931	0.9
137.05959	2.1
137.09587	3.0
142.03465	1.2
147.04398	4.9
147.11659	0.5
149.05971	11.1
150.06749	34.1
151.07130	1.2
165.05501	4.1
165.09100	100.0
165.12723	1.8
166.09508	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
51.02364	0.7
51.47566	0.4
52.03200	0.6
52.58064	0.4
53.03944	2.9
55.01870	2.5
57.03431	0.6
63.87887	0.5
65.03934	1.2
66.04713	0.7
67.05492	1.0
69.03408	0.6
69.42756	4.4
77.03905	1.2
78.04702	1.0
79.05488	23.0
81.07047	2.1
91.05475	9.6
92.06294	1.0
93.03393	0.8
93.07035	1.3
94.04189	2.5
94.07825	0.9
95.04958	5.1
95.08566	0.6
98.21481	1.1
101.00864	0.7
103.05459	14.6
104.06253	1.5
105.03374	1.8
105.07024	80.6
106.07343	2.4
107.04950	11.5
107.08588	1.2
109.02873	0.9
109.06517	4.6
111.04410	0.8
115.05468	1.5
118.04134	2.1
119.01949	2.6
119.04955	5.2
119.08534	0.8
120.05739	5.2
121.06501	15.3
122.03647	5.7
122.07290	8.4
122.52621	0.5
123.08054	1.4
124.05177	3.3
132.05688	1.3
133.06485	47.7
134.07307	3.4
135.04408	5.9
135.08026	4.9
137.05969	61.6
137.09547	2.7
138.06311	2.4
142.03465	1.4
147.04384	3.5
147.11572	0.7
149.05965	8.5
150.06755	32.6
151.07089	1.3
165.05513	5.2
165.09103	100.0
166.09525	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	165.0911
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
50.51823	0.3
51.02366	0.5
53.03927	1.6
53.04166	0.4
55.01865	0.8
57.03432	0.4
60.40873	0.3
65.03934	1.1
66.04727	0.9
67.05488	1.5
69.03423	0.8
70.56533	1.4
77.03916	0.8
78.04707	1.3
79.05489	14.8
80.05838	0.5
81.03404	0.5
81.07054	1.9
83.04947	0.5
91.04912	0.4
91.05480	7.9
92.06246	1.5
93.07043	1.6
94.04177	1.6
94.07821	0.6
95.04961	3.7
95.08597	0.6
101.00880	0.5
103.05464	6.9
104.06262	1.9
105.03387	1.9
105.04488	0.8
105.07030	29.5
106.07342	0.8
107.04956	14.3
107.08585	1.2
109.06505	2.3
109.10168	1.0
113.83725	0.4
117.07007	0.4
118.04164	2.6
119.01929	3.2
119.04945	5.5
119.08566	1.3
120.02003	0.3
120.05734	5.7
121.02804	0.5
121.06507	18.8
122.03637	1.3
122.07292	10.3
123.04448	0.6
123.08049	1.4
131.04875	0.5
132.05695	0.9
133.02844	0.8
133.06497	11.6
133.07567	1.0
134.07286	4.6
135.04408	6.4
135.08040	5.9
135.08997	0.5
137.02936	1.3
137.05974	8.7
137.09619	2.1
137.29204	0.3
138.06264	0.4
142.03502	1.9
142.96634	0.5
147.04391	3.4
148.04807	0.5
149.05978	10.1
150.06760	33.9
151.07106	1.2
155.07039	0.9
159.40930	0.5
160.04538	0.8
165.05475	4.7
165.09106	100.0
165.12779	1.6
166.09531	3.1
183.47934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	3,4-Dimethoxy-styrene
Peak:m/z	Relative Intensity
53.03947	2.6
59.98382	0.5
65.03912	1.5
66.04713	1.6
67.05500	1.1
69.46986	4.2
77.03905	1.1
78.04712	1.1
79.05489	14.3
81.07066	1.2
91.05472	9.3
92.06243	1.8
93.07013	1.0
94.04166	1.9
95.04961	4.1
95.08597	0.6
101.00856	0.6
103.05455	7.4
104.06277	2.8
105.03391	2.3
105.04471	0.7
105.07021	22.7
107.04939	11.7
107.08574	1.1
109.06508	2.4
118.04154	1.9
119.01902	4.3
119.04944	10.4
119.08543	0.6
120.05737	5.5
121.02816	0.6
121.06493	17.8
122.03653	1.6
122.07294	11.1
123.08059	1.5
131.04906	0.7
132.05679	1.1
133.06509	7.0
133.07513	0.9
134.07263	5.0
135.04390	5.6
135.08046	6.3
136.04758	0.6
137.02933	1.1
137.05948	1.4
137.09590	1.0
142.03558	2.9
143.51065	0.5
147.04398	11.7
148.04797	0.8
149.05959	10.3
150.06749	34.6
151.07088	0.9
155.07040	2.5
160.04517	0.7
165.05467	8.2
165.09099	100.0
166.09480	3.8
167.26707	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0908
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
50.01590	0.4
51.02372	0.8
53.03932	1.6
53.34418	0.3
54.68185	0.3
55.01863	3.9
61.70834	0.4
61.83684	0.3
63.22329	0.3
65.03919	1.4
66.04697	0.4
67.05483	0.4
70.97664	0.9
75.26661	0.4
76.87650	0.4
77.03907	1.0
79.05484	17.8
81.07033	1.1
81.54882	0.3
91.05462	2.8
93.03380	1.3
93.98146	0.4
94.04181	2.6
95.04945	2.8
99.55585	0.4
103.05457	11.4
103.60271	0.4
104.06296	0.5
105.07017	100.0
106.07348	3.0
107.04932	1.1
109.02867	0.9
109.06493	4.2
111.04424	1.5
115.05428	1.3
119.01917	0.7
119.04895	0.5
122.03628	6.1
124.05198	5.0
125.05961	0.6
132.05145	0.4
133.06473	70.2
134.06793	2.6
135.04378	1.0
137.05957	98.7
138.06291	3.1
142.03493	0.5
147.04440	0.7
149.05977	0.4
150.06754	2.2
151.07536	0.7
165.05447	1.9
165.09094	25.8
166.09537	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	cis-Isoeugenol
Peak:m/z	Relative Intensity
51.85925	0.3
53.03944	2.4
55.01859	1.2
55.05488	1.1
57.03421	0.4
63.57972	0.4
65.03925	2.1
66.04712	0.8
67.05501	3.5
68.05007	0.6
69.03406	1.4
69.07038	0.4
70.06557	0.4
71.04972	1.1
71.27522	0.8
77.03915	0.6
78.04678	1.1
79.05487	16.7
80.04984	0.4
80.05854	0.4
81.03446	0.8
81.07053	4.1
82.06569	0.4
83.04966	0.9
83.06080	0.7
85.02853	0.4
85.06507	0.3
91.05470	18.7
92.05741	0.7
92.06252	1.6
93.07023	3.5
94.04173	1.3
94.07830	0.8
95.04953	4.9
95.08593	2.1
101.00883	0.7
101.32954	0.3
103.05451	7.2
104.05074	0.3
104.06293	2.1
105.03379	1.9
105.04476	0.8
105.07024	30.4
106.07331	0.7
107.04945	13.0
107.06028	0.8
107.08586	2.8
109.02859	0.7
109.06499	3.8
109.10137	2.6
110.06052	0.3
117.06979	0.7
118.04172	2.5
119.01899	2.9
119.04933	16.9
119.08573	4.6
120.05730	6.1
121.02776	0.5
121.06493	16.9
121.10129	1.3
122.03628	1.3
122.07290	10.0
123.04427	2.2
123.08068	3.2
123.11646	0.5
124.05153	0.5
124.08697	1.1
125.09578	0.4
131.04944	0.8
132.05672	0.8
133.02858	2.3
133.05475	0.7
133.06487	13.1
133.07547	0.5
134.07271	4.1
135.04396	6.2
135.08041	5.2
137.02931	1.0
137.05957	12.8
137.09593	2.3
142.03474	1.5
142.96663	0.5
147.04393	27.4
147.08040	1.8
147.11673	1.8
148.02159	5.2
148.04767	1.1
148.08611	0.5
149.05962	9.5
149.07132	0.6
150.06755	31.1
151.07141	0.5
155.07036	0.5
160.04585	0.6
165.05463	10.3
165.09096	100.0
165.12657	3.3
166.03201	0.9
166.04929	0.5
166.09576	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	165.0909
Annotation	3,4-Dimethoxy-styrene
Peak:m/z	Relative Intensity
51.02361	0.5
53.03939	1.7
55.05505	0.4
57.03423	0.5
63.83781	0.3
65.03928	0.9
66.04710	0.4
67.05499	2.3
69.03408	1.0
69.87747	1.8
77.03905	0.7
78.04689	1.2
79.05488	14.4
80.05827	0.3
81.03371	0.4
81.07036	1.8
91.05473	8.9
92.06288	1.6
93.07030	1.5
94.04166	0.8
94.07809	0.9
95.04963	3.3
95.08610	1.9
97.06510	0.4
98.20806	0.5
103.05460	7.7
103.53031	0.4
104.06270	2.4
105.03362	1.5
105.07025	21.6
106.07334	0.7
107.04942	12.6
107.08573	1.4
109.06493	1.5
109.10136	1.4
115.05412	0.4
118.04161	2.9
119.01883	1.2
119.04945	6.5
119.08559	1.3
120.05728	5.5
121.06496	17.1
121.10077	0.5
122.03655	0.6
122.07292	9.2
123.08041	1.5
131.04903	0.8
132.05704	0.8
133.02831	0.7
133.06494	9.5
133.07568	1.0
134.07272	5.7
135.04414	6.8
135.08043	6.7
137.02933	0.8
137.05965	2.0
137.09607	2.6
142.03516	1.2
147.04391	5.2
147.07977	0.5
147.11662	0.7
148.04892	0.4
149.05960	10.0
150.06747	35.9
151.07082	1.3
155.06903	0.5
160.04504	0.4
160.38324	0.3
165.05502	3.6
165.09096	100.0
165.12706	1.8
166.09521	3.5
178.97913	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	Ethyl phenylacetate
Peak:m/z	Relative Intensity
51.02373	0.9
51.89725	0.6
53.03941	2.0
55.01865	3.9
55.05505	2.6
56.05025	0.7
65.03940	3.6
66.04707	0.9
67.05504	2.2
68.05009	1.0
68.99795	0.6
69.03432	4.3
70.06592	1.3
70.88115	1.3
72.11159	0.5
77.03913	1.2
79.05485	16.1
81.03445	1.0
81.04530	0.8
81.07050	4.0
82.06566	0.7
83.04965	0.8
83.06097	1.1
85.07642	0.7
88.30863	0.4
91.05472	31.5
92.05792	1.4
93.03374	1.3
93.07035	1.5
94.04176	2.5
95.04961	5.9
95.08593	1.5
98.07165	0.9
101.00864	1.2
103.05453	8.2
105.03390	0.8
105.07022	78.0
106.07356	2.7
107.04939	2.9
107.06074	1.4
107.08573	1.8
109.02898	1.2
109.06503	6.0
109.07629	1.0
109.10117	1.3
110.39796	0.4
111.04433	1.0
111.09169	0.6
115.05420	1.2
117.06966	0.8
119.01931	4.5
119.04928	55.7
119.08560	4.4
120.05231	2.4
120.08130	0.7
121.10139	0.9
122.03651	4.4
122.07195	1.3
123.04486	3.1
123.08047	1.9
124.05194	3.4
124.08730	1.8
125.09510	0.7
131.04935	0.9
133.02847	2.7
133.06480	51.0
134.06810	2.1
135.04393	1.3
135.08096	0.8
137.02992	1.4
137.05963	74.9
137.09573	1.5
138.06323	1.8
138.10204	1.0
142.03496	2.4
147.04393	100.0
147.08026	2.4
147.11632	1.0
148.04747	4.2
148.08627	1.4
149.05984	0.6
150.06580	2.0
151.07565	0.7
160.04527	1.1
165.01794	1.4
165.05455	20.0
165.09093	20.7
165.11253	2.5
165.12752	2.3
166.04970	0.7
166.08527	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
51.02360	0.8
53.03930	2.5
53.13266	0.6
54.32287	0.6
55.01860	5.6
55.05500	1.4
56.05022	0.6
56.93233	0.6
62.29577	0.6
65.03934	3.2
67.05482	2.0
67.51744	0.5
69.03436	3.1
69.43584	4.6
70.06583	0.7
77.03886	1.1
79.05481	23.5
81.03402	0.7
81.07052	4.1
83.06030	0.7
84.73346	0.6
85.22163	0.6
91.05466	30.2
93.03398	1.0
93.07008	1.0
94.04186	3.1
95.04955	7.0
95.08607	1.7
103.05451	12.6
105.07014	94.2
106.07330	3.0
107.04938	2.7
107.08554	1.0
109.02831	0.7
109.06509	5.8
109.10146	2.3
111.04431	1.5
114.70134	0.6
115.05446	0.8
117.06992	0.8
119.01904	2.2
119.04922	54.0
119.08553	2.2
120.05280	1.3
120.08070	0.8
121.06457	0.8
122.03642	7.6
122.07293	0.7
123.04418	2.6
123.08028	1.7
123.11688	0.6
124.05231	3.8
124.08716	1.0
125.05932	0.6
133.02858	0.9
133.06471	63.6
134.06856	2.6
135.04402	1.3
137.05957	100.0
138.06274	2.8
141.05501	0.8
142.03461	1.0
147.04387	91.6
148.04759	2.7
150.06741	3.3
151.07513	1.2
160.04567	0.9
165.05447	21.8
165.09090	25.0
165.11342	1.4
165.12700	1.1
166.06024	0.9
166.09599	1.0
170.17877	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.02367	0.9
53.03943	6.8
55.01853	3.1
55.05263	1.3
55.05506	18.6
56.05021	1.0
57.03411	2.7
57.07057	2.1
59.04971	2.2
65.03928	4.6
66.04699	3.6
67.05173	1.2
67.05496	14.9
68.05001	1.2
68.99780	1.3
69.03422	19.9
69.07065	6.8
70.06586	1.8
71.04967	1.2
71.10831	1.8
77.03909	1.7
79.05062	1.5
79.05486	21.6
80.05003	0.9
81.03411	16.5
81.04532	0.9
81.06579	1.5
81.07047	27.6
83.04956	3.6
83.06110	1.2
83.08612	4.0
85.02922	0.7
91.05472	47.7
92.02576	1.5
93.07031	11.3
94.04178	7.9
95.04965	21.9
95.06008	0.8
95.08593	23.8
97.02901	0.8
97.06505	1.8
97.07652	1.2
101.00865	1.8
103.05458	3.6
105.03377	2.2
105.04501	1.4
105.07021	22.6
107.04928	3.2
107.06061	2.2
107.08590	10.8
108.05672	1.1
109.02859	1.8
109.05785	1.5
109.06508	26.5
109.07610	1.6
109.10146	9.0
110.06081	1.0
110.07279	1.8
110.09631	1.0
111.08035	0.9
112.79396	0.8
117.07007	2.4
119.01911	9.4
119.04931	51.1
119.08566	20.0
120.05369	1.6
120.08101	6.8
120.91019	0.8
121.02859	2.1
121.06513	3.7
121.07607	2.0
121.10123	8.2
122.03625	8.2
122.07194	3.7
123.04432	6.5
123.08059	24.9
123.11693	11.0
124.08681	2.4
126.03067	1.0
129.06985	0.8
133.02864	5.0
133.06477	5.5
134.07141	0.8
135.04408	1.8
135.08049	1.8
135.11691	0.8
136.07593	1.0
137.02950	2.6
137.04892	1.0
137.05959	13.1
137.09602	9.2
137.13234	2.1
138.05484	1.2
138.09117	3.0
138.10110	0.8
142.03497	5.1
142.96620	0.9
145.10039	0.8
147.04396	100.0
147.08034	5.4
147.11668	10.6
148.04752	4.6
148.08685	2.4
150.06746	3.9
155.07010	8.0
160.04494	1.6
165.01814	1.5
165.05470	42.9
165.06737	3.0
165.09090	18.1
165.11465	3.3
165.12732	73.4
166.05933	1.7
166.08562	4.2
166.13054	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.02372	0.6
53.03939	6.9
55.01854	1.1
55.05506	4.3
56.12206	0.5
57.03415	0.9
57.07067	3.3
57.19795	0.5
59.04988	1.6
65.03931	2.3
66.04698	1.9
67.05495	15.4
69.03421	25.2
69.07058	8.9
69.38957	2.4
69.39392	2.3
71.04973	1.3
79.05480	10.6
81.03408	20.8
81.07047	21.3
83.04968	4.4
83.08574	0.5
85.06544	0.8
91.05469	20.3
92.05792	0.6
93.07029	6.9
94.04182	3.2
95.04953	16.1
95.08596	21.3
97.06514	1.2
101.00861	0.8
103.05454	1.5
105.04491	0.6
105.07024	14.8
107.04926	2.3
107.06103	1.0
107.08588	7.2
108.05676	1.2
109.02865	1.1
109.06507	20.1
109.10134	6.1
110.07246	3.2
111.08076	1.7
117.06985	1.3
119.01904	5.8
119.04926	17.2
119.08572	14.2
121.02858	1.1
121.06485	2.0
121.10134	7.6
122.03619	2.8
122.07255	3.2
123.04394	1.9
123.08052	22.3
123.11691	12.6
124.08683	1.8
132.09354	0.6
133.02844	2.2
133.06445	2.1
135.04375	0.8
135.08005	0.9
135.11629	0.7
136.08768	1.3
137.02968	1.1
137.05981	6.3
137.07869	1.6
137.09595	15.9
137.13226	3.4
138.06467	0.7
142.03464	3.1
145.10052	0.6
147.04390	32.0
147.08000	1.8
147.11661	6.3
148.04788	1.7
148.08659	1.0
149.05942	0.5
150.06720	1.6
150.10394	1.1
151.07463	0.6
155.07034	3.1
160.04539	1.0
165.01814	1.1
165.04158	1.2
165.05481	15.5
165.09096	8.1
165.12730	100.0
166.08586	0.8
166.13083	3.5
170.66866	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
53.03928	0.2
56.96553	0.3
57.19678	0.1
65.92621	0.1
70.97112	0.2
70.97432	0.2
70.98130	0.1
77.03909	0.1
78.04720	0.2
79.05486	1.6
80.92208	0.1
80.94942	0.2
85.02781	0.1
86.22767	0.1
91.05470	1.0
93.07030	2.5
95.04963	0.4
97.02853	0.2
98.97585	0.4
103.05457	11.3
104.05759	0.2
107.04217	0.1
107.04945	2.4
108.05731	0.3
109.02874	0.1
116.98610	0.1
118.06488	0.1
119.01898	0.2
119.07351	0.1
120.08091	100.0
121.01617	0.1
121.06509	0.2
121.08442	2.5
123.04457	0.1
124.05173	0.6
131.04915	2.0
135.04393	0.2
139.07524	2.0
143.03644	0.3
147.03288	0.2
148.04741	0.2
149.05974	0.4
165.04315	0.2
166.04982	0.2
166.08572	1.3
167.05794	0.1
167.07005	0.7
174.60605	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	167.0702
Annotation	3-Methoxy-4-hydroxyphenylacetaldehyde
Peak:m/z	Relative Intensity
52.17298	0.2
53.03938	1.9
55.05499	0.2
62.37823	0.3
65.03936	0.4
66.04701	0.4
67.05489	0.8
68.09117	0.2
69.03407	0.4
69.07051	0.3
70.83384	0.3
70.83731	0.6
75.33378	0.2
77.03918	0.4
78.04697	2.9
79.05485	3.1
81.03411	1.7
81.07052	1.1
82.66094	0.3
83.04978	0.4
91.05470	0.5
92.02620	1.6
93.07018	0.8
94.04176	4.1
95.04956	4.8
95.08589	0.3
96.05741	9.2
105.03381	0.4
105.04514	0.7
106.04161	0.7
107.04938	1.3
107.08587	0.5
108.05727	16.1
109.02863	4.6
109.06525	5.4
121.10091	0.4
123.04420	3.3
123.08053	0.3
124.05197	40.6
125.06045	3.5
125.35574	0.2
135.05513	0.9
138.06734	0.7
139.07524	100.0
140.07846	2.9
151.03871	0.5
152.04739	0.5
152.06151	0.5
165.07033	0.4
167.07033	15.6
167.08493	1.0
168.07346	0.4
170.44275	0.3
178.31168	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
53.16650	0.3
53.63788	0.3
65.03914	0.4
67.05489	0.9
69.94905	1.7
69.95216	0.5
70.70628	0.3
76.50209	0.3
77.03923	0.4
78.04694	1.5
79.05487	3.0
81.03390	1.7
81.07043	1.1
86.91765	0.3
87.92973	0.3
91.05478	0.4
92.02614	1.8
94.04180	5.3
95.04964	4.9
96.05739	10.0
98.20827	0.5
105.04510	0.9
107.04951	1.1
108.05727	19.2
109.02869	4.4
109.06525	5.5
114.51731	0.3
123.04421	0.8
124.05197	41.4
125.06059	3.4
130.35384	0.3
134.69226	0.3
135.04500	0.4
135.05527	1.0
138.06688	0.9
139.07524	100.0
140.07858	2.9
167.07011	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	167.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01562	0.4
53.03947	1.8
55.01868	0.5
61.18031	0.3
65.03942	0.6
66.04681	0.3
67.05500	0.9
70.78398	0.4
70.78751	0.8
77.03914	0.7
78.04698	1.7
79.05494	2.9
81.03419	2.2
81.07047	0.4
83.97016	0.4
92.02621	1.8
94.04180	5.7
95.04964	5.2
96.05158	0.7
96.05740	10.5
105.04498	0.9
107.04946	0.6
108.05729	19.1
109.02869	4.9
109.06524	5.7
123.04437	1.1
124.05200	45.2
125.06001	4.6
135.05550	0.9
138.06760	1.0
139.07529	100.0
140.07875	2.4
167.07027	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	167.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.05514	0.5
64.93111	0.3
65.03943	0.5
66.04713	0.5
67.05495	0.6
69.65092	0.5
69.65498	1.2
71.16924	0.3
73.75389	0.3
77.03925	0.3
78.04697	1.9
79.05086	0.4
79.05482	2.4
81.03427	1.4
81.07043	0.8
83.04961	0.3
87.14459	0.3
91.05424	0.3
92.02612	1.2
94.04176	4.1
95.04964	4.9
96.05743	7.9
105.04503	0.8
106.04132	0.5
107.04942	0.9
108.05730	16.8
109.02859	3.2
109.05897	0.3
109.06535	4.3
121.06515	0.3
121.10136	0.4
123.04454	1.9
124.05201	37.0
125.06042	3.3
135.05519	0.9
138.06752	0.6
139.07526	100.0
140.07864	3.3
151.03932	0.4
167.07027	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	167.1066
Annotation	Ferulol
Peak:m/z	Relative Intensity
51.02377	1.5
53.03938	5.7
55.01868	1.6
55.05507	3.5
55.27444	0.7
57.03435	3.3
59.04981	0.8
65.03935	3.1
66.04704	1.0
67.05495	6.2
68.05022	0.7
69.03410	1.6
69.07065	1.6
71.04977	4.4
71.12543	1.5
71.12876	0.6
77.03915	1.5
78.04697	10.7
79.05480	26.1
80.05810	0.9
81.03398	3.4
81.07040	5.2
82.06595	0.8
83.04963	4.6
83.08619	1.0
85.02886	1.3
91.05465	22.5
92.02624	1.2
93.03385	1.7
93.07025	11.1
94.04166	5.3
94.06577	0.8
95.04954	14.3
95.08591	2.7
96.05730	8.8
97.02879	0.8
97.06546	4.2
105.03431	0.7
105.04492	1.8
105.07011	6.2
106.04137	3.7
107.04941	70.6
107.08574	15.1
108.05105	1.0
108.05739	16.9
109.02856	5.3
109.06520	11.2
109.07625	1.9
109.10124	2.0
111.04438	2.8
111.08054	2.5
115.05456	1.6
116.61780	0.6
117.07005	2.9
119.06013	1.4
119.08544	0.6
121.06486	97.4
121.10117	9.8
122.03648	1.6
122.06937	2.2
123.04408	15.7
123.08050	6.7
123.11650	1.2
124.05192	40.1
125.05995	7.7
125.09602	1.8
134.07263	1.3
135.04549	1.4
135.08031	99.1
136.08383	2.5
137.05974	1.1
137.09602	2.1
139.07516	100.0
139.11145	2.3
140.07874	2.1
149.02292	1.7
149.05928	0.9
149.09589	10.2
150.10159	0.8
151.03900	3.7
152.04652	2.6
167.03372	2.4
167.07010	61.1
167.10640	11.6
167.14316	1.0
168.07484	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01850	3.1
55.05505	47.3
56.05023	1.0
56.05840	1.2
56.38587	0.8
57.03416	2.2
59.04999	5.3
65.03919	1.8
66.04684	0.7
67.05495	10.1
68.05009	1.2
69.03422	12.4
69.07055	5.4
69.62617	1.6
69.63029	3.4
70.06560	1.1
71.04974	1.4
78.04326	1.0
78.04703	9.0
79.05486	10.0
81.03397	3.0
81.07030	7.5
82.06579	1.3
83.04970	48.6
83.08609	19.4
85.06535	5.0
91.05453	5.3
93.07034	10.0
94.04176	3.7
94.25683	0.9
95.04963	7.9
95.06017	0.8
95.08600	3.9
95.09118	0.8
96.05733	9.4
97.06512	3.2
97.07645	1.2
97.10149	4.8
102.88614	0.7
105.04501	1.3
105.07004	3.0
106.04142	2.5
107.04925	3.5
107.06075	0.9
107.08591	13.0
108.05718	16.8
109.02868	4.9
109.06519	9.5
109.07602	4.9
109.10149	9.8
110.07184	1.0
110.08410	1.7
111.04432	1.9
111.08073	14.7
111.09203	2.4
112.08820	3.6
113.09632	1.3
118.48399	0.8
119.08543	1.1
121.02857	0.9
121.06464	3.3
121.10120	10.3
122.03642	1.5
122.07137	1.6
123.04411	13.1
123.08055	2.2
123.09157	1.1
123.11670	4.2
124.05196	39.9
124.08674	1.3
125.06027	5.7
125.08236	0.8
125.09595	8.0
130.72899	0.9
131.08511	1.2
135.04443	1.1
135.05421	0.9
137.05939	0.8
138.06735	1.1
139.07520	100.0
139.11113	1.7
140.07877	3.7
149.02313	2.1
149.09579	2.3
149.13240	2.0
150.10226	3.4
151.03813	1.6
152.04689	2.4
167.03384	2.7
167.07018	50.5
167.10629	4.0
167.12936	1.6
167.14272	15.0
167.15610	1.2
168.07466	1.9
172.01028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.4
55.01858	2.2
55.05506	70.8
56.05029	0.9
57.03436	1.2
57.07053	2.7
59.05000	8.9
60.36450	0.9
65.03931	1.7
67.05496	14.9
68.05015	0.9
69.03081	1.4
69.03419	18.5
69.04552	0.9
69.07054	9.1
70.06581	1.1
71.04991	2.4
71.25751	1.1
72.08138	0.8
78.04696	8.6
79.05488	13.7
81.03391	2.6
81.07042	14.8
82.06574	2.1
83.04971	75.7
83.08610	29.7
84.05292	1.6
85.06522	6.2
91.05485	4.5
92.02628	2.2
93.03367	1.1
93.07041	13.8
94.04172	5.9
95.04953	9.2
95.06139	0.8
95.08587	6.7
96.05746	10.3
97.06516	5.7
97.07643	1.2
97.10162	8.3
99.08076	2.2
105.04480	1.2
105.07015	3.0
106.04178	2.3
107.04961	6.1
107.08584	14.8
108.05724	18.2
109.02879	6.3
109.06537	9.5
109.07627	3.7
109.10143	15.3
110.06004	1.2
110.08382	2.7
111.04414	3.2
111.08078	19.0
111.09186	2.7
112.08879	5.2
113.09614	2.7
121.02882	1.4
121.06483	4.6
121.10121	11.8
122.07151	1.5
123.04416	11.9
123.08047	2.6
123.09152	1.1
123.11676	6.9
124.05204	46.4
124.08768	0.9
125.06042	5.2
125.09625	11.8
131.08540	1.2
135.04437	2.0
139.07524	100.0
140.07913	4.4
149.02359	1.4
149.05960	1.5
149.08224	0.8
149.09590	2.2
149.13243	4.4
150.06602	1.0
150.10216	4.0
151.03835	2.6
152.04651	2.0
167.03348	3.2
167.07021	57.3
167.10692	3.9
167.13014	1.1
167.14297	28.3
168.07384	2.8
168.14670	1.4
176.22398	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01863	4.4
55.05507	59.5
56.05019	1.7
56.05823	0.9
57.03418	3.3
57.07062	2.7
59.05000	8.2
59.06113	1.2
63.14198	0.9
65.03926	3.3
66.04726	1.3
67.05501	13.0
67.06294	0.7
68.05021	2.0
68.05773	0.9
69.03426	14.9
69.07062	11.3
69.07902	0.8
70.06583	1.9
70.92333	2.0
71.01357	1.0
71.04971	3.6
72.08121	1.4
73.06534	0.9
76.02059	0.8
77.03916	1.1
78.04704	14.8
79.05483	19.6
81.03409	2.3
81.07051	15.6
82.06564	2.3
83.04975	60.8
83.06064	2.7
83.08138	1.7
83.08611	22.1
83.09105	1.2
84.08150	1.5
84.08910	0.8
85.02902	1.2
85.06538	5.9
85.07646	1.7
91.05476	10.5
91.19243	1.1
93.03383	1.0
93.07038	20.1
94.04141	1.7
94.06563	1.3
95.04958	10.7
95.06070	0.8
95.08595	7.7
96.05718	1.6
97.02888	1.4
97.06506	5.1
97.07593	1.2
97.10149	7.3
103.05485	1.2
105.04494	1.8
105.07018	6.5
106.04166	6.2
107.04955	12.3
107.06084	1.3
107.08594	23.4
109.02850	4.1
109.06502	6.9
109.07637	6.7
109.10143	12.5
110.03629	0.9
110.06052	1.1
110.07222	0.9
110.08444	4.3
111.04454	4.6
111.08080	17.9
111.09198	3.6
112.07582	0.8
112.08871	5.4
113.09651	2.1
119.04929	1.8
121.01637	1.1
121.02860	5.3
121.06517	7.7
121.10149	20.8
122.03637	1.0
122.06042	2.7
122.07105	2.3
123.04418	27.9
123.08025	4.3
123.09128	1.6
123.11705	6.0
124.05240	7.4
124.08688	2.5
125.06011	4.5
125.09637	10.9
126.10340	0.9
131.08572	2.5
134.03568	1.2
135.04391	7.8
137.05984	1.6
139.03876	3.8
139.07523	2.6
139.11140	2.2
149.02327	3.8
149.05977	2.6
149.08450	1.2
149.09592	6.5
149.13226	2.7
150.05518	1.4
150.10255	7.0
151.03896	5.5
152.04646	9.1
167.03349	4.2
167.07028	100.0
167.10596	5.6
167.12961	2.4
167.14287	22.7
168.07405	3.9
178.56241	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.01855	2.4
55.05507	60.7
57.03421	3.3
57.07058	1.7
59.04996	7.7
65.03918	1.6
67.05506	12.2
69.03428	15.5
69.07063	7.0
70.96893	2.1
71.04972	1.8
78.04704	15.4
78.70318	0.9
79.05071	1.1
79.05489	11.3
81.03398	1.5
81.07050	10.5
83.04974	67.6
83.08612	24.1
84.05263	1.6
85.06532	6.6
91.05482	5.1
93.03394	1.2
93.07036	10.2
94.04173	2.7
95.04959	7.3
95.08602	5.3
96.05748	5.8
97.06509	3.6
97.10173	6.4
99.08094	1.2
105.03373	0.9
105.07008	4.3
106.04182	6.4
107.04955	5.1
107.08579	15.9
108.05733	7.0
109.02876	3.8
109.06519	6.5
109.07626	1.2
109.10151	14.6
111.04428	2.1
111.08064	18.6
112.08860	5.6
113.09608	2.6
118.72738	0.8
121.02785	1.0
121.06490	4.1
121.10136	12.6
122.03673	1.4
123.04413	24.7
123.08029	1.6
123.11684	5.8
124.05213	24.2
124.08765	1.0
125.05970	3.0
125.09637	9.9
131.08539	1.0
134.03615	1.7
135.04401	2.4
137.05988	1.3
139.07527	59.4
139.11119	1.5
140.07841	2.4
149.02361	1.1
149.09544	4.2
149.13242	4.7
150.10260	2.0
151.03889	5.2
152.04626	6.5
167.03336	2.6
167.07024	100.0
167.10667	2.7
167.14301	26.2
167.15755	1.0
168.07350	3.6
168.14568	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0494
Annotation	DHMAL
Peak:m/z	Relative Intensity
53.03944	0.8
55.01865	0.9
55.05495	2.1
57.07054	1.1
57.77756	0.5
59.04986	0.8
65.03937	73.3
66.04258	1.6
67.05496	3.9
68.99774	0.6
69.07043	2.0
69.65086	4.1
71.04980	2.2
79.05481	1.9
81.03394	3.7
81.07056	7.8
83.04984	1.5
85.02909	3.3
85.06523	0.9
91.05466	1.3
93.03400	26.9
93.07040	1.3
94.03756	0.7
95.04967	3.6
95.08597	4.2
97.06518	1.6
98.20783	1.1
105.07032	1.2
106.17532	0.5
107.08607	2.1
108.02101	0.6
109.02879	6.1
109.06504	2.0
109.10167	3.6
110.03654	12.5
111.00815	2.2
111.04435	100.0
111.08036	1.2
111.09219	1.8
112.04793	2.2
113.05994	0.7
123.04426	2.1
123.08086	4.3
123.11690	4.4
125.05053	1.3
125.05986	27.1
125.09574	0.8
126.03137	3.7
126.06331	0.9
127.03889	1.5
130.52332	0.6
134.05997	1.8
138.06818	0.7
139.03857	0.8
141.05455	9.5
141.06996	2.4
151.03889	19.7
151.04977	1.5
151.07516	1.0
151.11194	1.9
152.04239	1.0
154.02664	0.8
155.03386	0.9
169.04984	12.3
169.06351	1.0
169.07445	2.8
169.10036	1.6
169.12271	1.9
170.05518	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1222
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03929	7.0
55.01855	5.6
55.05505	100.0
56.05031	4.0
57.03417	4.7
57.07047	2.2
58.06575	2.3
59.04975	2.0
59.06098	5.2
65.03937	10.5
67.05503	22.2
68.05014	2.2
68.99775	7.2
69.03416	3.9
69.04514	1.9
69.07048	9.5
70.06580	4.3
71.04988	26.7
72.08131	5.6
79.05489	19.4
81.03411	17.4
81.04499	2.1
81.07046	57.1
82.06562	4.9
83.04973	37.8
83.06087	4.8
84.04472	1.7
84.08136	6.6
85.02898	10.0
85.06507	4.1
85.07651	3.4
91.05463	4.2
93.03406	3.5
93.05762	3.0
93.07022	7.7
94.06554	3.1
95.04948	15.6
95.08595	9.2
96.04491	1.8
96.08099	2.9
97.02859	3.0
97.06530	10.8
97.07610	2.4
98.03655	4.6
98.07162	2.2
98.20712	4.1
99.04434	4.9
99.05549	2.2
105.07020	7.1
107.08567	13.4
109.02871	36.4
109.06491	14.2
109.07623	5.1
109.10129	18.5
110.06044	3.9
110.07143	3.4
111.00782	18.0
111.04446	18.5
111.05564	3.7
111.08054	5.1
111.09193	27.1
113.05987	3.3
115.05444	1.8
121.10069	1.8
123.04414	14.4
123.08049	9.2
123.09185	1.9
123.11710	19.6
124.07567	7.0
124.08659	4.3
125.05993	7.8
125.06980	1.6
125.09599	2.0
126.02267	2.9
126.03118	33.9
126.10334	1.7
127.03879	7.5
127.08645	1.9
128.07062	2.0
133.02843	3.0
133.10074	3.9
138.01630	2.0
141.05444	88.5
141.07060	3.7
142.05719	2.0
142.08650	4.1
150.42386	1.8
151.03879	10.2
151.07498	4.0
151.08606	3.1
151.11176	14.1
152.07082	2.1
152.08174	4.7
152.11736	2.3
154.02585	6.5
155.03401	6.6
162.77643	1.9
165.12395	1.7
169.04967	44.3
169.07381	8.6
169.08694	4.0
169.09790	3.4
169.12236	4.6
169.14449	3.3
170.05870	2.4
170.08102	4.4
170.09546	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	169.1222
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.03944	0.4
55.01857	0.8
55.05502	2.2
56.96553	0.6
57.03436	0.4
57.07069	3.3
58.97599	0.2
59.04993	0.4
65.03928	1.2
67.05493	7.7
68.99798	0.6
69.03425	0.5
69.07052	2.7
69.65405	1.8
71.04983	1.1
79.05476	2.3
81.03403	2.1
81.07045	36.1
82.07383	0.7
83.04965	0.8
83.08591	0.7
85.02907	0.4
85.06517	0.3
85.10172	1.1
87.04441	0.2
91.05456	0.6
92.04990	0.3
93.03403	0.3
93.05782	0.5
93.07030	1.0
95.04951	1.6
95.08594	6.9
95.09169	0.5
96.08125	0.5
97.02879	0.3
97.10146	0.4
98.03653	0.4
99.04450	0.8
105.07011	1.0
107.08590	2.7
107.88562	0.2
108.05729	0.3
109.02874	3.1
109.06542	1.6
109.10141	16.1
110.06013	0.5
110.10505	0.3
111.00786	2.9
111.04438	2.0
111.08054	0.4
113.05994	0.5
121.10137	0.8
122.06033	0.3
123.04421	1.6
123.08080	1.1
123.11689	100.0
124.07568	1.0
124.12027	2.7
125.05923	0.4
126.03119	3.4
126.05648	0.8
127.03858	0.7
127.07537	0.3
128.95018	0.3
133.02844	0.4
133.06482	0.3
133.10124	0.6
138.06790	0.4
139.07527	0.5
141.05449	8.7
141.06917	0.6
141.07924	1.9
142.08640	0.4
146.96109	0.5
151.03894	0.7
151.07541	0.5
151.11160	3.5
152.07082	0.5
154.02654	0.5
154.07742	1.0
169.04979	4.0
169.07382	1.2
169.08702	0.5
169.09924	1.9
169.12198	3.6
170.08096	0.8
170.09625	1.4
170.15364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1221
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.00299	1.4
53.03933	5.7
55.05506	100.0
55.96758	1.1
56.05018	1.6
56.05833	2.7
57.03417	2.4
57.07057	1.7
58.06580	1.6
59.04984	1.6
59.06112	2.8
63.02965	1.3
65.03921	5.6
67.05497	12.4
68.99776	3.6
69.03424	3.2
69.07061	4.6
70.06597	1.3
71.04595	1.9
71.04983	26.9
71.07359	1.6
71.51607	1.9
72.08132	1.9
79.05492	5.6
81.03420	9.4
81.07048	26.3
82.06553	2.0
83.04971	27.9
83.06079	3.0
84.08135	4.5
85.02896	5.1
85.06525	2.9
87.64079	1.3
91.05471	2.9
93.03380	2.1
93.07027	4.4
94.06577	1.9
95.04956	8.8
95.08592	3.7
97.02892	2.0
97.06522	9.4
97.07655	1.6
99.04475	3.0
105.07020	3.2
107.08585	10.6
109.02872	22.9
109.06517	8.0
109.07607	2.9
109.10150	14.5
110.07132	1.3
111.00791	6.3
111.04430	8.4
111.08060	5.4
111.09190	9.9
113.05984	2.7
119.42052	1.4
123.04421	5.1
123.08067	6.3
123.11690	8.7
124.07539	1.4
125.05991	2.2
126.03120	14.2
126.10338	1.3
127.03907	3.5
133.02834	1.4
133.10057	1.7
141.05443	33.3
142.08537	2.1
147.05919	1.2
151.03899	3.4
151.07526	2.1
151.11124	5.8
152.08160	1.1
152.11784	2.3
154.02525	2.2
169.04958	16.6
169.07420	1.7
169.08653	1.9
169.09819	1.9
169.12234	3.1
169.14433	1.4
170.08134	1.5
170.09613	3.2
173.24321	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01866	13.5
55.05509	8.0
56.05020	5.2
56.96559	100.0
57.03421	5.5
58.06584	3.4
59.06101	2.4
60.04512	3.0
60.95849	3.4
61.02909	2.9
61.17527	1.2
62.36124	1.2
64.95544	4.9
65.03910	3.5
66.04273	1.2
67.05495	4.6
68.05027	6.0
68.99789	8.2
69.03419	15.1
69.04551	1.7
69.07054	2.8
69.98972	6.3
70.02959	1.4
70.06589	9.0
70.98112	5.3
71.01340	1.8
71.04974	2.6
71.95252	3.0
72.04498	5.5
72.08138	3.5
72.93764	2.6
73.02930	6.4
73.06535	4.0
74.06063	1.3
74.97594	5.2
77.00859	1.8
79.05484	4.8
80.05009	2.0
81.03398	8.5
81.07035	4.2
82.02905	1.4
82.03748	2.2
82.06572	6.0
83.01323	3.4
83.04961	2.2
83.06101	6.2
83.08597	1.5
84.01535	1.2
84.04498	6.6
84.08130	5.5
84.94907	1.8
84.96019	5.4
85.02901	10.3
85.06499	1.3
85.07632	3.9
86.06058	4.5
86.09647	1.3
87.04467	2.5
88.07639	2.0
88.99146	3.6
89.07158	2.7
90.01509	1.6
91.05470	9.0
92.04971	3.9
92.98605	1.5
93.05762	7.3
93.07030	4.5
94.06557	2.8
95.04950	4.0
95.06096	2.7
96.04465	2.9
96.06864	4.7
96.08128	8.2
97.02880	15.9
97.03966	1.9
97.07648	5.2
97.62157	1.4
97.99158	1.6
98.03135	1.8
98.06055	3.0
98.97578	17.4
99.04446	2.2
99.05553	3.5
100.02483	1.7
100.07641	1.9
100.99115	1.8
101.00826	2.4
102.96999	1.6
103.02423	4.4
103.05459	2.1
104.90805	1.7
106.06580	1.9
106.96518	1.5
107.00185	2.1
107.01839	1.2
107.02531	1.9
107.03590	2.0
107.04943	2.5
107.06049	1.9
108.04475	1.4
109.01366	1.2
109.02885	6.7
109.07633	5.1
110.03146	5.9
110.06026	7.4
110.07139	3.5
110.97561	5.5
111.00178	2.8
111.00839	2.3
111.04437	9.2
111.05565	3.7
111.09226	5.8
112.01774	1.9
112.07623	6.4
113.11597	1.3
114.05527	2.4
115.02293	2.3
115.05530	1.3
116.00228	1.4
116.03062	2.0
116.98623	11.7
118.00994	6.5
118.03510	1.8
118.51353	1.4
119.00169	2.0
119.01907	10.6
119.04923	2.9
120.00745	2.1
120.02018	1.4
121.01582	1.6
121.02305	10.6
121.03450	2.9
121.06493	15.0
122.07084	1.4
123.05524	1.7
123.09187	1.4
124.03876	1.4
124.07573	15.7
124.08545	2.3
124.97607	2.2
125.03527	2.1
125.05994	1.5
125.07102	5.0
126.05552	1.3
127.01530	21.2
127.04014	6.7
128.07022	1.5
128.08131	1.2
128.53497	5.8
128.95078	1.5
128.98589	14.0
129.01799	7.6
129.03958	1.5
129.06618	1.6
129.51761	1.7
130.02840	1.8
131.01900	3.3
131.03592	1.6
132.01888	1.8
132.04372	1.9
132.53079	1.3
133.01651	5.6
133.03421	1.8
134.01295	1.5
134.04982	2.5
134.06004	46.3
134.99654	9.8
135.09184	1.3
136.02029	4.1
136.06200	2.3
137.03012	1.4
137.05919	6.3
137.53966	1.7
138.05319	1.7
138.52287	2.8
138.54129	1.5
138.99139	2.1
139.00232	13.8
139.03850	8.8
140.00183	1.7
140.04253	3.6
141.11052	6.1
141.13112	1.1
141.96924	1.3
142.05817	4.9
142.08688	8.2
142.12297	2.2
142.98659	1.5
143.01764	1.8
144.04962	2.8
145.01700	2.5
145.03427	3.8
145.05116	1.8
146.96170	2.9
146.97305	2.3
146.99648	21.7
147.01413	6.4
147.03194	4.1
147.04985	7.5
147.54657	1.7
147.96846	1.8
149.01170	1.5
152.04466	2.4
152.07056	72.6
152.08110	2.9
153.00688	2.9
153.05554	1.3
153.10229	4.1
155.03375	5.6
156.07950	2.5
157.01314	20.4
157.03421	1.8
158.01302	1.8
158.04666	1.5
161.01207	4.4
161.03011	1.6
161.04590	1.6
163.02791	1.6
165.00700	8.0
165.04343	2.4
165.06078	4.3
165.08566	1.8
165.97931	2.2
167.55240	1.3
170.01344	1.7
170.02907	3.3
170.04413	2.5
170.05603	2.4
170.08098	18.1
170.09550	14.1
170.11748	5.4
170.12956	2.8
171.02858	2.4
171.05103	1.3
171.11368	2.5
171.14928	1.4
172.04565	1.6
173.01233	2.2
173.03146	1.5
177.00702	2.9
177.04282	6.8
181.03464	2.9
183.01833	2.2
184.99680	3.7
188.02257	2.7
188.07715	1.8
189.00676	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	170.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01865	3.2
55.05508	13.8
56.96564	2.4
57.03432	3.9
57.07071	20.8
58.06594	2.4
59.04991	0.7
60.04526	0.9
67.05500	7.8
69.03427	1.6
69.07063	100.0
69.93137	3.5
70.06590	1.6
70.07394	1.0
71.04979	3.1
71.08624	13.1
72.04514	4.2
72.08152	10.7
79.05483	6.6
80.59565	0.6
81.07051	19.9
82.06573	1.2
82.07389	1.0
83.04973	5.5
83.08614	15.3
84.08150	0.7
85.06536	1.0
86.06065	15.1
86.09711	2.3
87.37952	0.6
89.07132	0.8
91.05481	1.1
92.04994	0.7
93.05798	1.1
93.07037	17.7
95.04959	0.9
95.08603	18.5
96.08147	1.1
97.06525	28.6
100.07610	24.4
103.05473	1.1
107.02567	1.3
107.08577	19.8
109.10146	10.9
110.06045	0.9
111.08071	11.4
111.11713	18.5
112.01772	3.3
112.11222	1.5
114.09161	24.8
116.03069	1.6
119.52987	2.0
121.02304	11.9
121.52428	0.9
123.52523	0.8
124.07622	2.0
125.13279	1.6
128.06177	2.0
128.10692	3.2
128.14337	5.8
128.53462	8.2
130.02817	4.5
132.53075	6.9
134.69348	0.6
135.11676	37.2
137.53940	3.6
140.04219	6.5
141.53604	1.5
142.05757	0.8
142.08580	0.8
143.08543	2.0
144.03867	0.9
146.96152	0.7
149.04791	1.0
151.55052	1.4
152.07045	1.2
152.14388	0.9
153.12732	29.6
154.13068	0.8
155.08452	0.6
156.09235	0.8
159.31778	0.6
162.14876	0.6
170.08115	3.7
170.09621	2.6
170.15396	29.9
171.08159	0.7
171.11749	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.065
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
53.03936	0.5
55.01869	3.0
55.05500	3.6
64.46148	0.3
65.03934	26.5
66.04266	0.4
67.05496	1.7
68.02631	0.3
68.99786	9.0
69.03429	1.4
69.07079	0.4
70.65243	0.8
71.01344	0.5
71.04986	0.5
72.04509	1.4
72.93772	0.5
79.01851	0.6
81.03403	4.0
83.01307	0.3
83.04973	9.9
83.08611	0.5
85.07639	0.2
89.07131	0.8
93.03394	7.9
93.06990	0.3
95.04939	0.6
96.02097	1.2
97.02876	2.0
109.02838	0.7
111.04430	92.5
112.04742	1.8
113.96382	0.4
121.02876	1.4
121.03981	6.9
125.07069	0.4
127.03918	0.6
128.04266	0.4
139.03886	100.0
140.04175	2.4
143.03371	0.3
147.96913	1.0
152.33742	0.3
153.01749	0.3
156.03830	0.4
156.09386	0.3
157.01292	0.4
165.97922	0.5
171.02893	0.5
171.06494	5.2
171.09993	0.3
171.14917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1378
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.00291	2.6
53.03933	2.8
55.01854	3.1
55.05505	25.1
57.03422	3.4
57.07067	6.9
59.04991	7.3
62.38400	1.0
62.80902	1.0
65.03938	2.2
65.36153	1.1
67.05500	13.2
69.03413	3.1
69.06681	1.5
69.07061	29.3
69.91652	2.8
69.92054	2.0
70.06574	2.4
71.04984	67.1
72.04509	11.7
72.08141	2.3
73.06546	17.0
79.05483	25.0
81.03405	1.6
81.07047	100.0
82.07386	2.6
83.04969	8.6
83.08615	10.1
84.04486	2.1
85.02900	2.1
85.06523	17.9
89.07143	7.6
91.05472	7.5
93.07031	49.5
94.07352	1.2
95.04957	6.6
95.08593	14.6
96.04486	1.1
96.85419	1.0
97.06523	15.9
99.08081	2.3
105.07030	2.7
106.24171	1.0
107.08575	44.8
107.09307	2.5
108.08879	1.8
109.06485	4.0
109.10148	16.4
111.04433	7.6
111.08080	6.6
111.09206	2.4
115.05451	1.9
123.11691	28.2
125.06017	1.5
125.09622	3.4
127.11156	2.3
128.06192	6.0
129.06952	2.9
133.56349	1.1
135.11673	50.6
139.03889	5.4
141.06989	8.9
141.12726	38.1
143.04897	1.2
143.08559	7.9
153.07086	1.6
153.09106	3.2
153.12729	45.1
154.13112	2.2
156.09328	41.0
171.02921	2.1
171.04382	1.9
171.06526	2.5
171.08076	3.7
171.10185	1.8
171.11687	22.2
171.13768	3.5
171.14978	5.1
172.12082	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1379
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
52.58255	1.0
53.03941	1.4
55.01868	1.4
55.05508	15.8
57.03428	2.6
57.07069	5.1
59.04989	6.1
61.23395	1.0
65.03945	1.8
67.00889	1.1
67.05497	18.6
68.99777	1.3
69.03419	5.7
69.07065	58.8
70.06593	1.2
70.07390	1.3
70.77876	3.6
71.04983	5.7
72.04514	11.9
79.05491	9.8
81.07043	15.5
83.04958	5.1
83.08611	19.1
85.02901	14.5
85.06546	4.4
89.07144	9.7
91.05463	7.5
93.07038	66.8
94.07340	1.3
95.04964	4.2
95.08603	36.5
97.02894	1.5
97.06522	89.9
97.10192	1.5
98.06060	1.0
98.06771	1.2
98.97552	1.2
99.08068	2.1
100.97088	0.9
105.07020	2.4
107.08583	100.0
108.08907	2.3
109.06493	1.9
109.10146	48.8
110.10461	2.5
111.04458	8.5
111.08095	8.7
111.11698	6.7
113.05964	1.4
115.05470	1.1
125.05967	2.5
125.09612	2.1
125.13249	1.1
128.06244	5.9
129.06958	2.5
135.11681	69.8
136.12012	2.2
139.00301	1.2
139.03908	6.6
141.07008	2.8
142.07832	1.3
143.08530	10.4
153.07101	1.4
153.12730	53.6
154.13109	1.6
156.09352	17.7
157.09729	1.3
171.02994	1.3
171.04327	1.2
171.06642	1.5
171.08031	2.9
171.10204	2.3
171.11604	10.4
171.14948	6.4
172.07498	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1378
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
55.01836	3.1
55.05512	17.6
57.03408	2.5
57.07064	5.7
59.04982	5.8
60.55141	2.2
60.81853	1.8
65.03931	2.7
67.05508	12.8
69.03407	4.6
69.07066	53.9
69.38328	21.1
70.11875	1.8
71.04987	7.0
72.04504	14.1
73.67011	2.1
79.05471	9.1
81.03436	2.2
81.07029	20.8
83.04961	6.0
83.08614	17.4
85.02906	14.6
85.06528	2.9
89.07137	8.6
91.05476	7.4
93.06488	3.4
93.07040	61.2
95.04939	4.8
95.08601	41.0
96.85742	2.6
97.06521	79.8
99.08105	3.0
105.07016	2.5
107.08582	100.0
109.10155	47.5
111.04413	8.0
111.08062	7.7
111.09162	4.0
111.11696	4.3
125.09605	2.5
128.06181	6.6
129.06956	2.3
135.11673	58.6
139.03885	5.3
141.06956	3.5
143.08530	8.9
153.12723	49.4
156.09349	17.1
171.07869	2.9
171.10301	3.2
171.11609	14.3
171.14943	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	171.1378
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
50.85969	1.8
51.34332	1.7
53.00298	1.9
53.03935	4.7
53.09491	1.9
55.01859	2.4
55.05503	33.2
57.03424	4.4
57.07060	8.3
59.04987	7.2
65.03931	4.4
67.05491	15.9
68.99759	2.9
69.03416	3.4
69.07055	42.4
69.41408	1.9
71.04986	70.8
71.52315	2.6
72.04503	23.6
72.08161	2.6
73.06547	19.4
78.43704	1.9
79.05480	29.3
81.07044	100.0
82.07411	2.9
83.04981	14.7
83.08605	18.0
85.02903	3.4
85.06547	21.9
89.07155	17.3
91.05471	8.8
93.06477	4.5
93.07030	58.8
95.04923	2.5
95.08599	18.8
95.09193	3.1
97.06520	24.2
99.08068	3.8
101.06008	3.4
105.07014	6.6
107.08578	57.1
108.81188	2.0
109.06511	2.9
109.10143	29.6
111.04442	9.7
111.08073	19.7
111.09209	6.1
115.05450	7.2
123.11687	29.1
125.05995	4.0
127.11175	3.9
128.06184	15.9
128.72278	1.9
129.06981	7.4
135.11673	58.0
139.03905	9.0
141.06972	21.9
141.12727	38.6
142.07773	5.2
143.08539	26.7
143.09378	2.1
151.07471	2.2
153.09073	4.6
153.12723	55.0
155.08514	5.3
156.09325	98.4
157.09732	3.9
171.04233	2.8
171.06491	6.2
171.08073	7.5
171.10222	2.8
171.11650	68.2
171.13707	4.3
171.14920	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	171.1378
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.00291	1.5
53.03936	3.0
54.03435	1.6
55.01868	1.7
55.05505	29.3
57.03420	3.1
57.07062	5.8
59.04986	7.4
59.57216	1.7
60.76749	1.6
65.03941	2.4
67.05507	12.4
69.03410	2.0
69.07060	27.8
69.77100	4.3
69.77515	3.9
70.06568	1.7
71.04984	68.7
72.04507	12.7
73.06547	22.8
79.05479	25.6
81.07044	100.0
82.07397	2.2
83.04965	9.7
83.08617	12.1
85.02899	3.4
85.06532	21.8
89.07152	7.0
91.05465	5.1
93.07030	50.2
95.04964	6.8
95.08590	10.3
96.08893	1.4
97.06521	14.6
99.08119	3.6
101.05993	3.0
105.06999	3.4
107.07870	2.7
107.08574	44.4
108.08881	2.5
109.10135	18.0
111.04417	6.7
111.08033	5.4
114.98716	1.2
115.00686	1.4
115.05439	1.9
119.08565	2.0
123.11696	32.5
125.05960	2.0
127.11197	1.4
128.06194	7.8
129.06955	2.5
135.11674	53.9
139.03856	4.7
141.06978	12.1
141.12721	38.4
142.07729	3.5
143.08545	14.4
146.97099	1.4
153.08997	1.4
153.12726	45.7
155.08575	3.0
156.09317	53.9
157.09663	1.8
171.02937	2.4
171.07965	4.4
171.11650	32.1
171.13750	3.8
171.14888	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	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03929	0.9
55.01868	0.7
55.05505	19.7
56.05024	0.7
57.03429	1.4
57.07063	1.4
57.66855	0.6
59.04986	2.7
60.04511	2.6
67.05505	3.8
68.05011	0.8
68.45631	0.6
69.03418	1.8
69.96615	3.2
71.05007	0.7
71.06130	0.6
76.02224	1.0
79.05484	3.5
81.07053	3.4
83.04969	16.4
84.04492	1.8
85.02916	0.9
86.06061	0.8
87.04472	1.5
87.06287	0.6
89.02390	1.1
91.05469	19.7
93.07021	2.9
95.04919	0.8
95.08585	1.3
96.04467	1.3
97.02891	6.2
98.91894	0.6
98.98469	2.0
99.04468	1.0
101.06004	10.4
103.03285	2.4
103.05455	0.9
105.07019	12.5
107.08601	0.9
111.04432	12.7
113.06010	1.4
114.05518	2.4
115.05434	3.9
116.06194	1.9
117.06224	1.0
117.07011	16.7
119.08550	4.6
121.84318	0.5
127.07539	2.1
128.06192	1.7
128.07072	0.8
129.05489	8.2
129.06975	7.3
130.07742	2.8
131.08553	100.0
132.08916	2.6
137.05997	0.7
143.08549	5.2
144.09358	3.3
145.06432	4.4
145.10109	19.4
146.88515	0.6
149.93925	0.7
155.05907	1.1
155.07025	11.2
158.07245	2.6
158.10904	6.9
159.04375	0.7
171.11659	1.2
173.05945	2.9
173.08186	13.6
173.09688	2.6
173.13245	74.6
174.07661	4.2
174.13667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03943	0.6
53.52567	0.4
55.01859	0.6
55.05503	10.9
56.05033	0.5
57.03413	1.0
57.07077	0.5
59.04991	1.7
60.04527	0.8
65.03929	0.8
67.05502	3.2
67.22963	0.4
69.03422	1.0
69.07057	0.9
70.35736	1.5
71.04984	0.8
72.93777	1.5
79.05495	2.0
81.07044	4.2
83.04968	9.9
84.04509	0.9
84.05320	0.4
85.02906	0.5
85.06513	1.4
87.04446	0.7
87.47276	0.4
89.02376	1.1
90.94789	0.8
91.05466	10.7
93.07016	1.4
95.08591	1.9
96.04461	0.8
97.02895	2.3
99.04468	0.6
99.08079	0.6
101.06007	6.1
103.05419	0.7
105.07013	11.9
111.04426	11.3
113.06018	1.1
114.05541	0.9
115.05418	3.8
116.06227	2.4
117.07005	7.1
119.08556	13.8
127.07511	1.4
128.06221	2.3
129.05505	4.7
129.06981	10.2
130.07780	3.8
131.08545	80.9
132.08885	1.7
133.10129	2.9
142.07718	0.9
143.04897	0.4
143.08542	21.5
144.09328	8.2
145.06485	2.9
145.10101	30.8
146.05962	0.5
146.10454	1.1
150.96919	0.7
155.04875	0.6
155.05949	0.7
155.07031	6.9
155.08398	1.2
155.14270	0.6
156.09325	1.8
157.10106	1.0
158.07333	2.2
158.10887	36.9
159.11255	0.7
171.11684	2.8
173.05959	2.3
173.08090	10.7
173.09616	3.5
173.13234	100.0
174.07626	1.7
174.13680	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	174.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88884	0.7
55.01844	0.6
55.05500	1.9
56.05029	6.6
56.05840	0.8
56.96296	1.3
56.96561	24.5
57.03423	3.7
57.07062	0.8
58.99865	1.0
59.06118	1.1
60.00670	0.6
60.04523	4.8
67.99880	0.6
68.05024	1.0
69.03413	2.7
70.06588	1.0
70.95866	6.5
71.31889	0.7
71.51760	1.0
71.95264	0.8
72.04495	1.1
72.93786	6.8
72.96059	0.8
73.02918	0.7
73.06538	1.9
74.06052	0.7
75.05582	1.6
77.00893	1.6
77.17000	0.7
79.05491	1.4
81.03391	1.2
81.07041	0.7
82.99819	1.3
83.04953	1.1
83.06088	0.9
83.97618	2.8
84.04515	3.5
84.05299	1.1
85.02898	3.0
86.06062	1.1
87.05581	2.2
88.96893	1.7
90.94813	3.0
91.05472	1.4
96.04473	1.7
97.02873	10.3
98.07166	0.9
98.97574	3.0
98.98467	10.5
99.05606	0.9
100.02489	2.7
100.07616	0.8
101.00863	8.3
101.05959	0.8
102.00983	0.7
102.02274	1.5
102.06348	0.8
103.02433	4.2
105.07011	2.7
107.03449	2.2
111.02948	0.8
111.04442	1.2
111.98473	4.6
112.04766	2.1
113.98635	5.4
114.03991	4.4
114.05514	4.0
114.06694	0.8
115.02419	1.6
115.03920	1.2
116.98628	3.5
116.99384	1.0
118.03517	4.1
118.06549	1.4
119.01908	65.6
119.08560	1.4
120.02022	9.9
120.03268	1.2
121.01647	3.8
121.03457	3.2
125.04461	7.1
126.06653	2.2
128.01941	2.5
128.07036	1.3
129.99493	2.9
131.01880	1.7
131.97433	1.5
131.99690	18.4
132.01434	3.5
132.05052	42.3
132.95798	8.9
133.01472	0.8
133.03453	12.4
133.05174	2.3
134.02943	4.0
134.99622	4.3
135.03110	1.3
136.04562	1.9
137.02943	38.2
138.03049	4.6
139.02631	2.4
142.03496	4.0
143.03677	0.9
145.03473	3.7
146.02994	0.9
146.04807	0.9
146.05905	0.9
146.08093	1.2
147.03740	11.0
147.04808	0.8
148.02805	0.9
148.06071	2.0
149.98492	1.5
150.00740	23.9
150.02480	21.0
150.06100	34.3
150.96860	24.9
151.00238	0.9
151.02534	2.0
151.03563	1.4
151.04529	7.1
151.06270	1.7
152.02271	0.9
152.03894	1.0
153.00858	0.7
155.06668	2.5
155.97430	4.2
156.05020	7.5
156.07407	2.2
157.03471	2.3
157.09811	0.7
159.04974	0.9
161.02901	1.4
163.04559	2.1
165.04901	4.8
168.01857	2.6
168.03537	8.4
168.97939	1.2
169.03468	6.8
169.04575	1.3
173.02493	1.0
173.04158	1.1
173.07707	1.2
173.98442	6.6
174.06120	100.0
174.07539	6.8
174.12657	4.0
175.02966	1.1
175.04517	18.0
175.06126	4.5
177.00914	0.9
178.06123	0.8
185.02921	0.8
187.04533	2.9
192.07130	25.1
193.05574	1.4
193.07280	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
51.02351	0.6
53.03941	1.4
54.39802	0.5
55.01867	0.8
55.05504	9.4
56.94288	0.6
56.98412	0.6
57.07064	0.7
65.03934	1.3
67.05499	4.9
69.03425	0.8
69.07062	15.3
71.52328	1.0
77.03929	0.9
79.05490	6.4
81.07047	35.0
82.07391	0.9
83.04955	0.6
83.08611	2.3
84.09538	0.5
85.02896	0.9
91.05470	24.0
92.04964	0.6
92.05769	0.8
93.07035	11.7
95.04937	1.1
95.08597	24.7
96.08970	0.6
97.02883	1.9
97.10099	0.6
98.98457	15.3
103.05466	2.4
104.06186	0.8
105.07021	54.9
106.07359	1.3
107.08580	13.6
109.10148	1.3
115.05434	6.5
117.06999	9.1
118.07784	0.7
119.04951	1.9
119.08570	97.0
120.08913	2.3
121.06554	0.6
121.10159	2.8
129.06989	2.8
130.06441	0.6
131.04900	1.2
131.08554	9.6
132.05678	2.0
132.09311	1.2
133.02885	1.0
133.10117	100.0
134.10446	2.6
136.74901	0.6
142.07745	2.0
143.04910	1.2
144.05664	0.7
145.06461	2.6
145.10095	6.0
145.37047	0.5
146.10941	3.9
147.04413	2.7
147.08057	2.2
147.11679	15.8
151.00916	0.6
157.10078	1.8
158.10754	0.6
160.05190	8.2
160.12460	2.1
173.13239	1.5
175.03893	1.3
175.07533	19.3
175.11354	4.7
175.14810	87.1
176.03409	1.9
176.04744	1.1
176.15146	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	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05239	0.7
55.05508	11.2
56.57956	0.5
57.07070	1.1
57.78197	0.6
57.93312	0.5
67.05499	2.5
68.55046	0.6
69.07064	27.2
70.67699	1.2
70.68067	1.2
79.05499	2.8
81.07045	7.3
83.08627	4.4
89.03905	1.0
91.05472	16.2
93.07021	4.6
95.04942	0.8
95.08597	6.2
98.98448	2.0
105.07029	30.2
107.08588	6.6
115.05367	1.0
117.07026	3.3
119.04923	5.0
119.08574	100.0
120.08923	2.4
121.10145	4.5
131.08568	4.9
133.10123	85.5
134.10471	2.0
135.11679	1.3
145.10106	8.3
146.10915	1.2
147.04382	1.9
147.11678	14.2
158.10869	0.9
159.11676	1.0
160.05186	1.6
160.12444	4.0
164.78236	0.6
173.13261	3.6
175.07579	3.1
175.14812	98.6
176.15176	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.05505	7.7
57.07054	0.9
59.65086	0.5
65.03909	0.8
66.11655	0.5
67.05495	2.0
69.07062	25.2
69.49193	0.5
70.78712	1.2
78.72282	0.5
79.05483	2.9
81.07055	6.5
83.08617	4.0
91.05466	15.6
93.07044	4.3
95.04953	0.5
95.08594	5.6
98.98420	2.7
103.05456	1.9
104.06243	1.8
105.07022	27.5
107.08589	5.8
115.05474	4.8
117.07020	4.8
119.04939	2.5
119.08569	100.0
120.08909	1.8
121.10116	4.2
121.10893	0.7
128.06206	0.9
129.06993	1.0
131.04895	1.1
131.08543	5.5
132.05644	3.5
132.09346	0.6
133.10115	76.9
134.10388	2.6
135.11644	1.1
145.10112	6.8
146.10834	1.5
147.04439	0.7
147.07983	2.5
147.11676	13.9
159.11659	1.1
160.05182	3.7
160.12469	5.2
173.13258	2.6
175.07538	8.7
175.14806	99.1
176.15134	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	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85806	0.1
53.03942	0.2
55.05503	0.6
67.05497	0.2
69.07060	0.5
69.88136	0.3
69.88528	0.4
71.91686	0.1
79.05492	0.7
81.07039	0.6
83.08585	0.2
87.37556	0.1
91.05470	2.2
93.07037	0.7
95.08604	0.4
98.98463	3.2
103.05463	0.3
104.06264	0.2
105.07024	7.5
106.07362	0.2
107.08584	0.5
115.05421	0.6
117.07022	0.8
118.07811	0.6
119.08578	7.4
129.00993	0.1
131.04915	0.2
131.08537	1.0
132.05663	0.3
133.10121	100.0
134.09442	0.2
134.10455	3.3
145.10158	0.4
147.04504	0.1
147.08075	0.1
147.11670	0.9
157.10130	0.2
160.05190	0.3
160.12373	0.2
173.13264	0.2
175.07552	0.7
175.11237	0.5
175.14816	5.7
176.06985	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	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
51.27153	0.3
55.05510	2.2
56.62926	0.4
63.26198	0.4
66.95910	0.3
67.05500	1.2
69.07060	2.9
70.43479	0.3
71.01117	0.5
71.01449	0.6
74.92110	0.3
79.05477	1.8
81.07040	5.0
83.08609	0.8
91.05468	7.7
93.07034	2.9
95.08595	4.4
98.98440	1.6
105.07018	21.1
106.07357	0.5
107.08578	3.0
115.05380	0.5
117.06995	3.3
118.07785	0.4
119.08567	31.5
120.08839	0.7
121.10111	0.9
127.86736	0.3
131.08543	2.7
132.09384	1.7
133.10112	100.0
134.10437	3.1
145.10129	1.4
146.10916	0.4
147.11671	8.2
160.12466	0.7
175.07671	0.6
175.14803	34.6
176.15131	1.4
177.70766	0.4
188.22604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
50.39169	0.6
53.03949	0.9
55.05509	8.5
57.07073	0.7
66.02642	0.5
67.05497	2.2
69.07066	24.9
71.27789	1.1
71.28124	0.8
79.05482	3.1
81.07053	6.0
83.08625	3.4
86.92032	0.7
91.05472	11.8
93.07040	4.0
95.08595	7.5
98.98480	3.5
103.05447	0.8
104.06228	0.6
105.07027	28.7
106.07330	1.2
107.08587	6.6
115.05436	1.6
117.06984	4.6
119.08575	94.2
120.08930	2.7
121.10147	3.1
131.08578	5.4
132.09276	0.8
133.10123	82.0
134.10475	2.6
135.11688	1.0
145.10110	6.8
146.10907	1.0
147.11678	11.8
147.60500	0.6
159.11690	1.3
160.05188	1.4
160.12434	4.6
173.13274	2.6
175.07521	2.2
175.14813	100.0
176.15178	4.0
180.25102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93815	0.7
55.05507	9.6
57.07064	0.7
63.44974	0.7
63.76718	0.7
65.03942	1.6
67.05488	2.6
69.07063	26.4
70.06586	3.7
71.88162	0.7
79.05486	3.2
81.07034	6.4
83.08616	5.3
89.03909	0.9
91.05475	18.9
93.07032	3.6
95.08601	6.2
98.98460	3.3
103.05436	2.2
105.07021	28.1
107.08577	6.1
115.05463	1.1
117.06953	4.1
119.04932	4.0
119.08568	100.0
120.08862	1.9
120.54245	0.7
121.10149	3.7
131.08559	5.1
133.10117	85.8
134.10405	1.9
134.23442	0.7
135.11732	1.0
145.10104	8.0
146.11017	0.7
147.04366	2.1
147.11687	13.2
153.65759	0.8
159.11731	1.0
160.05231	1.0
160.12419	4.1
173.13237	3.0
175.03987	1.0
175.07579	2.2
175.14804	94.2
176.15149	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
52.00437	0.7
53.03925	0.8
55.05506	9.0
60.33861	0.7
65.03927	1.2
67.05500	1.7
69.06683	1.2
69.07060	21.7
70.54511	2.5
79.05489	2.9
81.07047	7.9
83.08627	4.2
84.83129	0.7
91.05469	16.0
93.07027	3.7
95.08597	6.8
98.98448	3.1
103.05463	1.0
105.07018	32.6
107.08567	6.9
110.71336	0.7
115.05408	1.7
117.07016	4.1
119.04945	2.8
119.08568	97.7
120.08908	2.6
121.10123	2.6
129.07019	1.0
131.08530	4.6
132.05659	1.2
132.09375	1.2
133.10112	78.2
134.10477	2.2
135.11661	1.1
145.10114	8.7
146.10902	1.1
147.04419	2.2
147.08020	0.9
147.11676	13.9
157.10143	0.9
160.05173	2.2
160.12437	5.4
173.13275	2.7
175.03902	1.0
175.07515	5.5
175.14804	100.0
176.15175	3.3
177.29463	0.8
182.55231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14547	0.6
53.03927	0.8
55.05502	9.5
57.07071	1.2
63.17740	0.6
65.03932	1.5
67.05490	3.4
69.07057	22.8
70.41683	0.6
71.08412	1.7
77.03960	0.6
78.73163	0.6
79.05484	3.6
81.07039	9.7
83.08601	3.8
88.68858	0.5
91.05468	23.2
93.07032	5.7
95.08594	8.2
96.15732	0.6
98.82813	0.6
98.98465	7.4
103.05483	0.6
103.69531	0.7
104.06261	1.4
105.07016	34.4
106.07368	0.7
107.08579	8.1
115.05450	2.7
117.06986	4.5
119.04906	4.0
119.08563	94.2
120.08934	2.6
121.10154	2.6
129.06891	0.7
131.04898	1.3
131.08568	6.2
132.05693	3.0
133.10110	81.1
134.10484	2.2
135.11668	0.7
142.07751	0.9
145.06380	1.2
145.10095	7.3
146.10837	1.8
147.04384	2.5
147.08015	1.6
147.11667	15.9
150.34804	0.6
157.10124	0.7
159.11600	0.7
160.05170	4.7
160.12436	3.8
173.13223	2.8
175.03894	1.8
175.06055	1.1
175.07526	12.4
175.14798	100.0
176.07901	1.0
176.15160	3.6
178.99451	0.6
187.03142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
56.05015	1.1
56.96291	0.8
56.96556	8.0
57.93541	1.5
58.01461	0.7
58.99845	1.0
59.06105	2.3
67.05479	0.6
71.51974	0.9
71.68382	0.5
71.95258	1.0
77.00903	1.4
81.03427	0.7
81.07063	0.6
83.06040	0.5
87.05593	0.5
89.03904	0.8
91.05469	0.7
93.03394	1.2
93.07022	0.7
93.95649	0.7
97.02846	0.6
98.00907	0.6
98.97574	24.0
98.98441	2.4
100.02462	2.6
101.00853	2.3
101.07125	0.6
102.00932	1.0
103.00652	0.7
103.02410	0.9
104.02528	1.6
104.86792	0.5
105.07073	0.6
109.02829	0.6
113.00819	1.8
115.02405	1.6
116.01938	11.9
116.97279	8.4
116.98605	34.3
117.03383	0.9
118.03505	8.2
119.01910	24.8
120.02007	5.4
121.01655	6.7
122.03537	0.8
127.04115	0.7
128.06200	0.5
129.03909	0.5
130.03459	1.0
130.06473	1.2
131.01900	15.4
131.04810	0.5
131.99501	1.4
133.02168	0.5
133.03444	2.5
134.02968	100.0
134.04727	3.6
134.99644	46.0
135.03214	4.7
136.04530	3.5
137.01971	1.0
137.02957	13.7
137.03923	0.6
138.03084	2.2
138.04164	0.7
139.02644	3.9
139.03505	0.7
140.00221	1.0
140.01784	0.6
141.03912	1.7
142.03435	1.5
143.03447	0.7
144.05963	0.7
145.02754	1.1
146.03674	0.7
147.05013	0.6
148.04611	0.6
149.02939	3.6
149.06009	0.9
151.04518	0.7
152.02245	2.9
152.03998	24.6
152.05902	2.8
152.96884	2.7
153.00703	10.6
153.03972	6.0
154.03471	5.2
157.03455	0.7
157.04570	4.8
158.01263	3.7
158.02962	5.6
158.04268	0.6
158.04771	0.8
159.05042	2.6
160.04517	1.8
169.03407	0.6
170.03224	1.2
171.01375	22.6
171.04999	13.2
171.06219	0.8
172.01517	0.8
172.04482	2.6
175.98561	3.3
176.02307	2.2
176.04076	21.1
176.05844	7.1
176.07057	0.9
176.11824	0.7
177.00911	2.4
177.04169	2.1
177.05415	1.9
178.00972	0.6
179.69461	0.6
189.02440	8.8
189.05995	1.6
190.02477	0.8
194.03061	2.5
194.05069	9.0
194.06847	4.0
195.01781	0.7
199.03809	0.6
199.05620	1.7
199.07388	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	70.6
58.99855	2.8
60.95818	1.1
67.05489	1.2
69.03408	1.3
69.42678	1.0
71.52010	1.8
71.95251	3.4
77.00891	1.7
79.05507	1.3
80.92938	1.1
81.03378	1.5
89.03915	5.6
90.41258	1.1
91.05469	5.3
92.98695	1.1
93.07032	1.5
95.08597	2.7
97.99161	1.2
98.97573	84.2
98.98439	3.9
99.97927	1.6
100.02457	3.2
103.02406	1.7
103.05450	2.7
105.02161	2.0
105.07001	2.4
107.04952	1.7
107.08590	2.2
110.01140	1.2
113.00846	11.1
115.02361	1.6
115.05440	3.2
116.98607	100.0
117.03365	8.4
117.07003	5.1
118.03519	4.4
119.01906	8.3
119.04897	1.3
120.01988	2.1
121.01646	4.7
121.06479	8.6
121.10125	3.2
129.03961	2.6
130.49364	1.6
131.01892	83.5
131.04892	6.2
132.01979	2.0
134.07253	1.6
134.99644	87.7
135.03217	8.8
135.04204	1.5
136.00047	1.6
136.02541	3.8
136.03627	1.1
136.92160	1.5
137.02927	2.5
138.49796	1.4
139.49776	3.6
140.00189	4.1
145.02692	5.9
145.06448	1.4
146.07248	24.6
147.05096	1.8
147.07983	1.9
149.02962	23.8
149.05954	3.2
151.00470	6.6
153.00681	16.9
153.04196	3.4
154.03470	38.5
154.93172	4.6
155.01845	4.0
158.01205	5.4
162.06749	4.0
171.01456	1.4
172.01485	6.3
172.04469	11.0
172.94279	27.6
173.02950	14.4
173.04292	1.9
177.00894	8.0
177.04181	5.0
177.05595	5.8
177.09087	25.1
177.12772	1.4
177.16257	1.5
190.02557	2.4
190.95299	40.8
191.03984	3.6
195.01639	1.3
195.95906	1.8
196.04526	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01861	3.0
56.96297	1.4
56.96562	23.6
56.96842	1.2
57.03430	7.5
58.99858	2.0
59.04992	0.7
60.95837	2.5
61.02918	5.0
65.03913	0.8
66.03698	0.6
69.03423	10.0
69.24017	7.0
70.03728	0.7
71.01349	1.1
71.04983	2.0
71.95258	0.8
72.05295	0.6
72.08147	0.9
73.02912	9.4
74.06062	0.7
77.00873	1.1
79.05484	1.0
81.01022	1.1
81.03409	4.4
82.01434	0.6
83.00776	2.5
83.01288	0.8
83.04955	0.9
84.01561	0.8
84.96023	1.5
85.02893	9.4
86.03675	0.8
87.04472	1.8
88.02657	0.8
88.04005	0.6
89.00771	2.3
89.03908	11.0
90.01534	2.5
91.03953	1.2
91.05470	4.9
92.01302	3.4
93.07018	0.8
93.91673	0.7
94.99830	1.0
95.04955	0.9
96.01538	3.1
97.02281	1.1
97.02878	12.4
98.01279	3.3
98.03241	0.8
98.97577	34.4
98.98437	2.9
99.02036	0.9
99.04437	2.0
100.02491	2.6
101.00797	3.4
102.02367	1.4
103.00600	1.8
103.02422	1.1
103.03186	1.2
103.05467	2.3
104.01272	1.5
105.02124	2.4
106.04182	0.8
107.01783	1.1
107.04945	1.7
107.08585	1.3
109.02871	3.3
109.06498	0.9
110.01267	8.5
110.03224	0.7
110.97543	1.5
111.02057	1.0
112.01024	0.8
112.02848	1.2
112.03703	0.9
112.53810	0.9
112.99118	1.2
113.00851	13.8
114.00925	0.8
114.02515	1.7
115.00592	0.9
115.02405	2.0
115.03973	1.2
115.05451	1.1
116.98615	31.2
117.02038	1.7
117.03371	21.5
117.06996	2.5
118.01029	1.7
118.03565	2.3
119.01819	20.4
119.04916	1.6
119.51963	0.8
120.02026	2.0
121.01659	8.5
121.03416	1.7
121.04204	1.6
121.06505	4.2
121.10162	0.9
123.03114	0.9
124.01016	1.2
125.01748	0.9
126.02555	0.8
127.01536	0.8
127.03918	3.1
128.02307	22.4
128.98581	1.8
129.03064	1.3
129.03940	1.0
130.52586	1.3
131.00224	2.5
131.01895	100.0
131.04919	2.7
132.01984	2.5
133.01553	1.1
133.03473	3.1
134.03613	3.8
134.99646	20.3
135.03169	3.7
135.04373	2.2
136.02426	4.2
137.02841	13.4
137.05936	2.7
139.02655	3.1
139.53101	1.9
140.00160	1.8
140.02315	1.1
141.03056	1.0
143.00165	2.5
143.01855	1.3
145.01624	1.3
145.02765	22.7
145.04778	1.3
145.06488	1.3
146.03313	1.2
146.07266	7.5
146.99617	3.8
147.03165	1.2
147.05008	1.9
147.54039	1.4
148.03809	1.0
149.01144	2.0
149.02951	27.4
149.04855	1.3
149.05975	8.8
150.98991	0.7
153.00658	3.4
153.03058	0.8
154.03471	45.7
155.00143	1.0
155.00679	0.8
155.01868	6.1
155.03815	1.2
157.03479	1.4
158.01242	1.3
158.99689	1.5
160.07564	1.9
161.01302	3.2
161.02965	1.6
162.03148	2.2
162.06708	1.2
162.99144	0.9
163.02670	2.2
165.00697	1.4
167.02133	0.7
172.01440	0.9
172.04465	8.1
172.95195	1.2
172.99274	1.2
173.01234	2.3
173.02962	13.1
173.04706	1.9
174.02963	0.7
175.04590	0.9
177.00745	2.3
177.02579	1.4
177.04167	4.8
177.05493	10.3
177.09065	10.2
177.10539	0.6
177.16310	0.7
179.02290	0.8
185.02971	2.7
186.04613	1.4
190.98718	0.9
191.00406	2.0
191.02168	1.3
191.03952	2.6
191.05577	0.8
196.04608	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02381	0.4
53.03936	1.3
55.01839	0.4
55.05497	0.6
63.02372	1.4
65.03933	0.7
67.05505	0.8
69.03423	0.5
69.07048	1.1
70.67673	1.1
78.04700	4.0
79.05481	2.2
81.07040	1.5
83.08572	0.6
86.90102	0.4
89.03909	49.3
90.04227	1.2
91.05473	9.7
93.07042	3.9
95.04967	2.1
95.08607	2.3
98.98461	2.2
102.04659	0.5
103.05466	4.8
105.03347	1.1
105.04485	0.5
105.07023	1.7
106.04169	7.4
107.04938	1.4
107.08588	4.7
108.96281	0.4
109.06552	0.7
109.10155	0.9
115.05426	2.3
116.06210	1.4
117.03367	83.3
117.07009	6.7
118.03669	2.7
118.07370	0.4
119.04935	2.9
119.08604	1.1
121.06499	7.0
121.10139	5.5
123.08084	0.5
124.05181	1.3
131.04922	3.6
131.08557	1.1
133.06470	1.4
133.10117	0.4
134.03615	10.7
134.07271	2.0
135.04414	6.8
135.08023	1.5
135.11670	1.4
137.06038	0.4
144.05635	0.7
145.02831	100.0
145.06477	2.8
146.03174	3.1
146.07254	9.6
147.04381	5.0
147.08058	0.8
149.02353	0.7
149.05968	27.6
149.09590	1.3
149.13274	0.6
150.06281	0.5
158.05992	0.8
159.04372	0.6
159.08087	0.6
159.11707	0.7
161.05945	0.7
162.03098	2.4
162.06760	5.6
163.03873	2.5
175.07538	0.5
177.05466	32.6
177.09087	42.3
177.12576	3.0
177.16385	2.3
178.05791	0.9
178.09450	1.2
186.05463	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	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
51.02377	0.6
53.03941	1.4
53.57108	0.4
55.01876	0.8
57.20060	0.4
62.31901	0.5
63.02373	0.4
65.03935	0.7
67.05508	0.7
67.35830	0.5
69.07046	1.0
78.04714	1.6
79.05473	2.0
81.07039	1.4
83.08627	0.6
89.03905	9.9
91.05476	16.0
92.05829	0.5
93.07029	2.8
95.04964	1.2
95.08607	1.5
98.21548	0.7
98.98457	1.4
102.04667	1.3
103.05453	8.3
104.06242	0.7
105.07022	2.3
106.04150	3.7
107.04964	2.4
107.08597	2.9
109.06522	1.5
109.10143	0.8
115.04842	0.3
115.05450	11.8
116.06239	3.3
117.03373	15.4
117.07008	21.5
119.04917	4.5
119.08572	1.8
121.06494	36.3
121.10126	3.4
122.06836	0.8
123.04431	0.7
130.04141	0.7
131.04912	23.1
131.08557	1.2
132.05762	2.3
133.06482	6.0
134.03607	2.4
134.07262	3.8
135.04460	2.5
135.08006	1.7
135.11717	1.1
137.05977	1.5
144.05734	1.4
145.02835	18.0
145.06482	10.2
145.07608	1.2
146.07249	100.0
147.04407	4.0
147.08057	9.1
148.05145	1.1
149.02304	0.5
149.05968	7.5
149.09607	4.8
155.06003	0.8
158.05865	0.4
159.04329	0.4
159.08064	0.6
159.11723	0.7
161.05957	2.4
162.03110	1.4
162.06746	16.8
163.03903	1.3
163.07106	0.6
177.05614	7.7
177.09090	97.5
177.16397	1.4
178.09409	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	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
52.86332	0.3
53.03868	0.5
55.01780	0.5
55.05417	1.5
63.02281	1.1
65.03860	0.7
67.05412	1.4
69.03361	0.4
69.06975	3.7
69.07375	0.4
69.74165	2.2
70.99322	0.4
77.03849	0.4
78.04617	2.3
79.05479	3.5
81.03350	0.4
81.07043	2.5
83.08530	2.4
89.03906	24.5
89.04410	1.3
90.04194	0.7
91.05464	10.0
93.07034	8.1
95.04902	1.6
95.08599	5.3
97.10065	0.4
98.21545	0.7
98.98396	1.1
103.05464	2.4
105.03315	1.1
105.07018	4.7
106.04156	4.1
106.07759	0.4
107.04874	1.0
107.08582	9.8
107.09634	0.4
109.06503	0.7
109.07536	0.4
109.10155	1.8
109.10725	0.3
115.05421	4.7
116.06226	3.7
117.03367	40.5
117.07007	12.9
118.03645	1.0
119.04910	2.2
119.08566	2.0
121.06490	7.7
121.10128	12.3
122.91866	0.4
124.05164	0.6
127.15599	0.4
129.06932	0.5
131.04926	2.3
131.08543	1.9
132.05663	0.5
133.06494	3.3
133.10075	0.9
134.03618	6.0
134.07254	4.0
135.04436	3.2
135.08060	2.3
135.11662	2.7
144.05690	1.7
145.02824	51.8
145.06488	3.0
146.03185	1.7
146.07246	5.8
147.04352	1.0
147.08025	1.2
148.08861	0.5
149.05956	14.8
149.09624	1.4
149.10815	0.4
149.13240	1.3
158.06039	0.4
159.08058	0.5
159.11592	1.8
161.06015	1.5
162.03096	1.7
162.06741	12.5
162.10403	0.8
163.03946	1.8
175.07600	0.4
177.05521	16.7
177.09081	100.0
177.12775	4.7
177.16357	6.3
178.05989	0.7
178.09482	2.8
186.05585	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03938	0.7
56.44271	0.5
59.84343	0.5
71.19114	1.1
78.04701	0.7
79.05498	0.7
80.82191	0.5
81.07059	0.5
89.03909	0.9
91.04900	0.9
91.05472	15.0
91.06023	1.1
93.07032	1.7
95.04988	0.9
98.98457	1.1
102.04665	1.2
103.05456	8.5
104.06262	1.1
105.07017	2.0
106.04196	0.5
107.04982	2.8
107.08577	0.8
109.06521	2.4
111.83761	0.5
115.05446	11.0
116.06216	2.1
117.03436	0.9
117.07008	20.0
118.07344	0.6
119.04933	4.5
119.08582	1.7
121.06496	34.7
123.04411	0.9
127.05421	0.9
128.91049	0.6
129.55923	0.5
130.04163	1.1
131.04912	20.9
132.05774	2.4
133.06488	6.4
134.03638	0.5
134.07253	3.4
135.08072	1.2
137.05988	1.7
144.05679	0.7
145.02827	1.2
145.06488	8.9
145.07544	0.6
146.07251	100.0
147.04411	3.3
147.08052	10.3
148.05190	0.6
149.05952	1.8
149.09605	5.1
155.06100	0.6
161.05971	2.5
162.06750	16.1
163.07082	0.7
177.09091	93.0
178.09456	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	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
57.82881	0.5
68.63536	0.5
71.19171	0.7
74.72646	0.5
79.05493	1.2
89.03883	0.9
91.04914	0.7
91.05474	13.0
93.07023	2.1
95.04939	0.7
98.98450	0.9
102.04675	1.1
103.05462	8.4
104.06279	0.8
105.07042	1.3
107.04945	1.9
109.06518	2.7
115.05443	11.3
116.06217	2.3
117.03390	1.0
117.07011	19.8
118.07295	0.8
119.04932	3.6
119.08579	1.9
121.06498	37.6
121.10127	1.4
122.06853	0.9
123.04424	0.6
130.04118	1.4
131.04919	23.7
132.05746	1.4
133.02869	0.6
133.06491	5.3
134.07285	3.0
135.04469	0.7
135.08115	0.9
137.05978	1.6
144.05692	1.4
145.02785	1.0
145.06493	10.1
145.07585	0.8
146.07254	100.0
147.04437	3.1
147.08063	10.0
149.05974	2.4
149.09619	4.4
149.97139	0.5
161.05986	2.5
162.05470	1.1
162.06750	15.3
165.09102	0.7
177.09094	94.6
178.09464	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03949	0.6
55.01868	0.6
65.03937	0.4
70.68486	1.1
78.04721	1.2
79.05476	1.0
81.07042	0.4
89.03905	3.2
91.05470	16.0
93.07036	2.3
95.04958	0.9
95.08628	0.5
98.98450	0.5
102.04649	1.1
103.05458	7.5
104.06244	1.3
105.07027	1.6
106.04167	0.5
107.04932	2.6
107.08570	1.1
108.05735	0.5
109.06490	1.8
115.04792	0.4
115.05440	12.1
116.06203	1.9
117.03371	4.7
117.07008	19.8
119.04919	4.8
119.08578	1.5
121.06493	33.5
121.10118	1.2
122.06825	1.1
127.05433	0.4
129.07016	0.6
130.04143	1.8
131.04915	23.5
132.05742	2.3
133.06479	6.3
134.03590	0.6
134.07288	2.5
135.04366	0.8
135.08022	1.2
135.10646	0.4
135.11656	0.5
137.05952	1.9
144.05710	1.1
145.02834	5.0
145.06490	8.2
145.07591	1.3
146.07248	100.0
147.04364	4.1
147.06656	0.5
147.08061	9.1
148.05244	0.6
149.05957	3.7
149.09616	4.4
155.05989	0.9
159.11858	0.5
161.05943	2.5
162.06746	15.5
163.07175	0.4
165.08992	0.6
177.05785	2.9
177.09090	97.6
178.09505	2.7
184.18028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03924	0.6
54.25670	0.2
55.01852	0.7
55.05459	0.3
57.03414	0.4
63.02332	0.2
65.03920	0.5
66.62974	0.2
67.05495	0.3
68.99754	0.4
71.48428	0.5
78.04708	1.4
79.05489	1.7
81.03407	0.3
81.04462	0.3
81.07021	0.9
89.03905	7.1
91.04889	0.4
91.05466	6.9
93.03405	0.4
93.07030	1.8
95.04926	1.1
95.08602	0.3
98.98458	2.3
103.05448	3.6
105.03368	0.4
105.04494	0.3
105.07021	1.8
106.04163	3.2
106.07819	0.5
107.04926	1.2
107.08569	1.0
109.06493	0.3
115.05441	4.3
116.06230	3.8
117.03368	11.5
117.07008	12.8
118.04126	0.9
118.04949	0.3
118.07298	0.5
119.04921	2.6
119.08538	0.5
120.05692	0.4
121.02865	0.6
121.06483	4.1
121.10117	0.9
124.05201	0.3
131.04916	2.2
131.08521	1.1
132.05670	0.8
133.06474	3.6
133.10153	0.3
134.03644	2.9
134.07251	4.6
135.04384	1.7
135.06683	0.3
135.08031	1.9
136.08707	0.4
144.05701	2.3
145.02823	13.5
145.06488	2.7
146.03624	3.2
146.07124	0.4
147.04384	1.4
147.07964	0.5
149.02293	1.0
149.05963	7.9
149.09583	0.8
159.04408	0.7
159.07971	0.8
159.11627	0.7
161.05984	1.5
162.03108	1.5
162.06738	15.3
163.03914	1.4
163.07071	0.5
175.07590	0.4
177.05580	8.4
177.09081	100.0
178.06276	1.2
178.09500	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	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03925	1.5
55.01862	1.4
55.05503	9.8
57.07057	3.0
63.02359	1.2
65.03931	2.2
67.05495	4.9
68.40041	0.8
69.07060	23.2
69.55645	7.2
78.04694	5.6
79.05479	12.7
81.07041	11.1
83.08614	15.2
89.03909	46.9
90.04229	1.6
91.05474	16.6
93.07034	31.6
95.04952	2.7
95.08599	35.3
97.10165	2.3
98.98435	2.5
103.05452	4.3
105.04460	1.0
105.07028	8.6
106.04166	10.2
107.04995	1.2
107.08578	71.6
109.06496	2.3
109.10130	12.7
116.06283	1.1
117.03367	79.2
117.06996	3.7
118.03689	2.9
119.04924	2.5
119.08561	2.5
121.06515	6.3
121.10130	100.0
122.10437	1.7
123.08034	1.9
131.04900	2.5
131.08543	1.8
133.10112	2.2
134.03636	10.3
135.04404	8.2
135.11668	19.3
145.02826	96.8
145.06474	2.0
146.03183	3.7
146.07236	5.5
147.04376	5.4
149.05968	30.9
149.13264	6.4
150.06374	1.3
159.11641	1.8
162.03098	3.5
162.06763	1.8
163.03903	3.3
177.05455	30.1
177.09062	16.4
177.10464	1.6
177.12807	4.6
177.16370	43.5
178.05807	1.9
178.16757	1.2
186.05435	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	179.0701
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03936	2.8
55.01660	0.8
55.01871	8.8
55.05497	2.5
57.03437	2.2
57.07069	1.4
58.06171	0.9
59.04983	0.8
60.39804	0.9
63.04796	0.7
63.39302	0.8
64.34531	0.7
65.03938	5.0
67.05500	14.2
68.99790	2.9
69.03415	2.9
69.07068	4.7
69.76099	2.7
69.76514	2.2
71.01319	0.9
71.04989	0.9
79.05486	10.9
80.05014	0.9
80.06274	0.9
81.03410	2.2
81.07046	8.9
83.04987	1.3
83.08608	1.0
85.02851	0.8
87.18000	0.8
89.03894	1.2
91.05476	35.2
93.03395	1.1
93.07038	7.5
95.04960	21.9
95.06049	1.5
95.08603	11.3
97.06493	1.2
103.05466	5.6
105.03392	1.5
105.04492	1.0
105.07027	21.9
106.04149	1.0
107.04936	4.0
107.08568	5.1
108.04537	0.9
108.05722	4.4
109.02876	2.7
109.06512	6.4
109.10157	5.4
110.03654	5.7
111.04432	2.9
111.08077	1.2
115.05418	1.8
117.07011	1.8
118.04139	2.2
119.04933	34.4
119.08581	6.9
120.05602	1.4
120.08111	0.9
120.97752	0.8
121.02895	3.3
121.03854	0.7
121.06475	4.4
121.10157	5.0
123.04419	100.0
123.08049	17.6
123.11697	3.2
124.04766	1.5
124.08820	2.7
133.02841	2.7
133.06491	9.6
133.10118	8.6
135.04443	2.2
135.11710	2.3
136.05232	5.6
136.08792	1.1
137.05949	10.3
137.08241	6.3
137.09558	6.0
137.13225	1.2
138.06671	1.9
146.03613	0.8
147.03230	1.8
147.04401	38.6
149.05983	1.9
151.03912	8.9
151.07533	48.8
151.11163	5.2
151.14812	1.8
152.08049	1.4
161.05968	7.4
161.07149	2.6
161.09612	2.7
161.13255	4.9
164.04651	2.2
164.08353	1.0
165.05478	1.5
179.03429	20.8
179.07036	61.9
179.10504	7.3
179.14278	11.0
180.07486	1.0
180.10167	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01855	0.7
65.03916	0.4
67.05497	0.7
69.80479	0.6
69.80897	1.3
76.30305	0.3
77.03901	0.4
79.05497	0.5
79.74746	0.3
91.05474	4.8
93.07024	0.9
95.04962	13.3
98.21439	0.4
103.05470	0.6
104.06241	1.2
105.04504	0.6
105.07014	0.8
105.63907	0.3
107.04928	1.9
108.05720	0.8
109.06565	0.8
115.05480	0.7
117.06999	1.4
119.04939	0.8
119.08559	0.8
121.06509	3.3
122.03641	0.8
122.22550	0.3
122.56736	0.3
123.04420	22.9
124.05201	0.6
131.04904	1.3
132.05696	1.3
133.06490	0.8
135.04401	1.3
136.05190	8.3
137.05957	0.3
138.06747	100.0
139.07027	2.5
147.08051	2.8
148.08838	2.1
149.05986	3.0
151.07530	25.7
152.07828	0.7
164.08337	9.4
179.07077	0.8
179.10667	8.2
180.11009	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1065
Annotation	Methylisoeugenol
Peak:m/z	Relative Intensity
51.02370	0.3
53.03941	0.7
55.01861	0.5
57.03420	0.3
59.04994	0.2
65.03925	1.1
66.04706	0.4
67.05495	0.5
69.76374	0.3
69.76784	0.9
71.04955	0.2
77.03909	0.7
78.04697	0.7
79.05490	1.8
80.06278	1.0
90.04714	0.6
91.05474	19.6
93.03398	0.3
93.07040	2.9
95.04967	2.9
96.05754	0.2
103.05450	1.9
104.06245	3.3
105.03363	0.7
105.04509	0.4
105.07024	2.8
106.04172	0.7
107.04945	9.2
108.05741	4.0
109.02848	0.3
109.06506	2.1
115.05444	3.2
116.06232	0.9
117.07008	5.1
118.04166	0.6
119.04961	1.1
119.06059	0.5
119.07787	0.3
119.08569	3.2
121.06493	13.6
122.03575	0.4
122.07288	0.6
123.04417	3.2
123.08057	1.4
124.05199	2.8
128.06218	0.3
129.06999	0.3
131.04929	4.1
131.05923	0.3
132.05698	6.1
132.06693	0.3
133.06499	3.3
134.07272	0.3
135.04413	4.2
135.08040	1.6
136.05186	20.5
136.08835	0.7
137.05937	0.6
137.09618	0.6
138.06746	16.2
139.07547	4.2
145.06473	0.7
146.07248	0.5
147.08034	15.2
148.08821	9.5
149.05971	8.7
149.06915	0.2
149.09535	0.6
151.07526	100.0
152.07872	2.2
161.09560	0.2
163.07491	0.8
164.08324	22.3
165.08662	0.4
179.10658	29.7
180.11000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1065
Annotation	Methylisoeugenol
Peak:m/z	Relative Intensity
53.03928	0.9
67.05500	0.8
70.56184	2.3
78.04700	0.8
79.05473	1.3
80.06284	0.9
80.99110	0.6
91.04900	1.3
91.05473	25.8
92.05788	0.7
93.07033	3.2
95.04960	2.8
103.05466	1.5
104.06264	3.5
105.03390	0.8
105.07025	4.0
107.04948	8.3
107.71484	0.6
108.05735	4.1
109.06502	1.3
115.05457	3.7
116.06248	1.4
117.07011	6.3
118.04243	0.6
119.04980	1.2
119.08575	2.5
121.06490	14.8
123.04461	3.4
123.08031	1.7
124.05206	2.6
131.04945	3.1
132.05699	5.9
133.06529	3.6
135.04390	4.1
135.08041	1.9
136.01849	0.7
136.05190	25.3
136.08824	1.1
137.09732	0.9
138.06743	15.6
139.07545	4.5
145.06447	0.8
146.07269	0.8
147.08040	18.5
148.08820	10.7
149.05968	11.1
151.07529	100.0
152.07866	2.1
163.07599	0.9
164.08318	22.9
179.10649	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	179.1066
Annotation	Methylisoeugenol
Peak:m/z	Relative Intensity
51.02398	0.3
52.58467	0.3
53.03936	0.6
55.01867	1.6
59.23096	0.3
62.85585	0.3
65.03928	1.0
66.04703	0.4
66.58656	0.3
67.05501	1.6
69.03429	0.2
71.13847	0.6
71.14212	0.5
75.33514	0.2
77.03928	0.4
78.04708	0.8
79.05486	1.5
80.06247	0.6
81.07053	1.7
83.04977	0.4
91.05475	16.8
92.05803	0.5
93.07038	2.5
95.04954	3.0
95.08585	1.2
103.05482	1.3
104.06245	3.0
105.03379	0.5
105.04537	0.4
105.07026	4.7
106.04159	0.8
107.04949	7.3
107.08589	0.7
108.05741	3.6
109.02881	0.5
109.06521	1.4
109.10132	0.5
115.05453	2.6
116.06232	0.6
116.52251	0.2
117.07009	4.4
118.04169	0.6
119.04935	3.9
119.08574	2.7
121.06496	10.9
121.07376	0.6
121.10130	0.5
122.03684	0.3
122.07228	0.4
123.04416	3.6
123.08036	1.5
123.11654	0.5
124.05201	2.6
128.06210	0.3
131.04919	2.9
132.05687	5.3
133.02831	0.6
133.06491	3.8
133.10109	1.1
134.07088	0.3
135.04417	4.1
135.08020	1.2
136.05186	18.1
136.08807	0.6
137.06027	1.3
137.08250	0.4
137.09578	0.6
138.06750	15.9
139.07556	4.1
144.38330	0.3
145.06499	0.3
146.07254	0.8
147.03375	0.4
147.04398	4.6
147.08040	13.3
148.05109	0.3
148.07909	0.6
148.08830	8.2
149.05977	7.8
149.09514	0.3
151.07530	100.0
152.07895	2.7
161.05963	1.0
161.09630	0.5
161.13188	0.6
163.07536	1.0
164.08330	19.8
165.08673	0.4
179.03389	2.0
179.07181	3.5
179.10663	35.2
179.14153	1.1
180.11064	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1065
Annotation	Methylisoeugenol
Peak:m/z	Relative Intensity
53.03926	0.4
55.01866	3.2
55.05502	1.0
57.03408	1.0
65.03938	0.8
67.05511	1.6
67.11082	0.4
69.03377	0.4
70.58926	1.2
78.04686	0.9
79.05483	2.8
80.06271	0.8
81.03381	0.5
81.07034	2.2
83.04932	0.5
83.08626	0.3
89.03910	0.6
91.05473	22.3
92.05775	0.7
93.07040	4.1
95.04968	3.7
95.08605	1.9
98.21516	0.4
103.05454	1.8
104.06242	2.0
105.03357	0.8
105.07014	6.7
107.04941	6.0
107.08563	1.1
108.05745	3.4
109.06527	1.7
109.10132	0.8
115.05441	3.0
116.06196	0.6
117.07011	4.3
118.04160	0.6
119.04929	10.0
119.08563	3.7
120.05217	0.4
121.06493	10.9
121.10116	0.6
122.03638	0.5
123.04425	6.0
123.08092	2.0
124.05190	2.2
131.04921	2.6
132.05690	4.9
133.02844	1.6
133.06493	4.4
133.10127	2.3
135.04391	3.5
135.08029	1.5
135.11617	0.6
136.05179	19.8
136.08786	0.7
137.05965	2.3
137.09607	0.8
138.05676	0.8
138.06744	14.8
139.07529	3.2
145.06488	0.4
146.03621	1.3
147.03220	0.7
147.04395	11.0
147.08031	12.5
148.04767	0.5
148.08823	8.7
149.02385	0.4
149.05968	8.0
149.09486	0.5
150.06352	0.4
151.07526	100.0
152.07915	2.7
160.98170	0.3
161.05960	3.4
161.09602	1.4
161.13274	1.3
163.07503	0.9
164.04633	0.8
164.08313	21.0
165.08687	0.8
167.19910	0.4
179.03395	6.2
179.07111	8.2
179.10660	33.5
179.14230	1.0
180.06429	0.4
180.11034	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.01866	3.2
55.05502	1.0
57.03408	1.0
65.03938	0.8
67.05511	1.6
67.11082	0.4
69.03377	0.4
70.58926	1.2
78.04686	0.9
79.05483	2.8
80.06271	0.8
81.03381	0.5
81.07034	2.2
83.04932	0.5
83.08626	0.3
89.03910	0.6
91.05473	22.3
92.05775	0.7
93.07040	4.1
95.04968	3.7
95.08605	1.9
98.21516	0.4
103.05454	1.8
104.06242	2.0
105.03357	0.8
105.07014	6.7
107.04941	6.0
107.08563	1.1
108.05745	3.4
109.06527	1.7
109.10132	0.8
115.05441	3.0
116.06196	0.6
117.07011	4.3
118.04160	0.6
119.04929	10.0
119.08563	3.7
120.05217	0.4
121.06493	10.9
121.10116	0.6
122.03638	0.5
123.04425	6.0
123.08092	2.0
124.05190	2.2
131.04921	2.6
132.05690	4.9
133.02844	1.6
133.06493	4.4
133.10127	2.3
135.04391	3.5
135.08029	1.5
135.11617	0.6
136.05179	19.8
136.08786	0.7
137.05965	2.3
137.09607	0.8
138.05676	0.8
138.06744	14.8
139.07529	3.2
145.06488	0.4
146.03621	1.3
147.03220	0.7
147.04395	11.0
147.08031	12.5
148.04767	0.5
148.08823	8.7
149.02385	0.4
149.05968	8.0
149.09486	0.5
150.06352	0.4
151.07526	100.0
152.07915	2.7
160.98170	0.3
161.05960	3.4
161.09602	1.4
161.13274	1.3
163.07503	0.9
164.04633	0.8
164.08313	21.0
165.08687	0.8
167.19910	0.4
179.03395	6.2
179.07111	8.2
179.10660	33.5
179.14230	1.0
180.06429	0.4
180.11034	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1065
Annotation	Methylisoeugenol
Peak:m/z	Relative Intensity
53.03926	1.9
55.01876	1.2
65.03931	1.4
67.05500	1.6
69.03441	1.2
69.25262	11.3
78.04684	2.5
79.05481	6.1
81.07035	1.9
91.05467	48.3
92.26260	1.2
93.03383	1.4
93.07034	12.7
95.04935	6.0
103.05438	4.0
104.06243	12.0
105.07020	14.2
107.04939	8.5
108.05740	5.8
109.06500	4.0
115.05441	17.7
116.06256	1.7
117.07002	24.3
119.04919	3.4
119.08562	13.0
121.06489	47.3
121.07371	2.5
123.04386	5.8
123.08044	2.7
124.05174	3.4
131.04913	7.6
132.05692	29.5
133.06483	15.6
134.07271	2.0
135.04381	4.0
135.08043	10.3
135.76529	1.3
136.05177	22.4
136.08804	8.5
137.05952	1.5
138.06750	18.1
139.07555	6.7
146.07191	1.2
147.04362	1.8
147.08029	86.0
148.08849	14.8
149.05968	27.0
149.09552	3.9
150.06386	1.1
151.07524	100.0
152.07854	3.7
163.07503	1.8
164.08315	47.6
179.03375	3.0
179.10648	100.0
180.11040	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1064
Annotation	Methylisoeugenol
Peak:m/z	Relative Intensity
53.03945	1.3
54.04261	0.4
55.01873	3.6
55.05508	0.8
55.31013	0.4
57.03440	0.6
65.03936	2.5
66.04707	0.5
67.05495	4.1
68.05011	0.4
68.99785	0.7
69.03426	1.2
69.07082	0.5
70.06582	0.3
71.01342	0.4
71.04990	0.4
71.52825	0.5
77.03929	0.9
77.44716	0.4
78.04714	1.0
79.05489	4.8
80.05029	0.7
80.06265	0.7
80.15042	0.4
81.03412	1.2
81.04549	0.4
81.07047	3.3
83.04979	0.5
83.06084	0.5
85.02920	0.5
85.06528	0.7
87.77413	0.4
89.03900	0.7
90.04749	0.5
91.05473	30.0
92.05813	0.6
93.03404	0.5
93.07030	3.9
94.04189	0.5
95.04958	9.0
95.06036	1.8
95.08566	2.0
97.06477	0.5
97.07669	0.5
103.05445	3.0
104.06250	2.0
105.03398	1.8
105.04526	0.5
105.07018	9.3
105.07674	0.6
106.04179	0.8
107.04945	9.5
107.08610	2.0
108.04514	0.8
108.05744	4.0
109.02875	0.7
109.06507	3.8
109.07667	0.4
109.10175	1.0
110.06036	0.8
110.07140	0.4
111.04415	0.8
115.05441	5.4
116.06237	0.8
117.03393	0.7
117.07005	7.3
118.04130	1.2
118.44579	0.3
119.04948	13.6
119.08570	7.2
120.05604	0.4
120.08125	0.4
121.02873	0.8
121.06490	11.9
121.10130	0.8
122.03558	0.5
122.07215	0.7
123.04420	16.4
123.08076	2.0
123.08868	0.4
124.03902	0.4
124.05241	2.6
125.15525	0.3
128.06248	0.5
131.04909	5.3
131.08563	0.6
132.05725	4.9
133.02829	1.8
133.06487	6.9
133.10100	4.1
134.03601	0.7
134.05995	0.8
134.07210	0.6
135.04419	4.3
135.08034	2.1
135.09003	0.4
135.11679	0.4
136.05185	21.1
136.08768	0.7
137.02348	1.1
137.05965	13.9
137.08194	2.6
137.09590	1.5
138.05544	1.4
138.06737	14.0
139.07516	4.0
143.04932	1.8
143.08485	0.5
145.06476	0.6
146.07262	0.6
147.04428	12.8
147.08031	13.4
148.08818	8.5
149.05971	9.7
149.09528	0.7
150.06488	0.4
151.03973	4.5
151.07526	100.0
152.04349	0.5
152.06815	0.5
152.07990	2.9
161.02342	0.6
161.05994	4.7
161.08348	0.6
161.09605	2.4
161.13232	1.2
163.03865	1.2
163.07492	0.8
164.04410	0.9
164.08316	21.0
165.05525	0.4
165.08717	0.6
179.03395	9.9
179.07130	7.6
179.09378	1.5
179.10649	38.3
179.14227	1.4
180.03807	0.6
180.06471	2.8
180.07881	0.6
180.10994	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04890	0.1
53.03926	0.3
55.01857	0.2
55.05503	0.2
56.96534	0.2
65.03909	0.3
67.05497	0.2
67.24153	0.1
68.05031	0.2
69.03416	0.3
70.58606	0.5
72.04508	0.3
79.05492	0.8
80.05000	0.2
81.03417	0.2
85.02898	0.4
89.03930	0.2
91.05465	1.8
93.03380	0.2
93.07037	2.5
94.06532	0.5
94.07372	0.2
95.04964	0.6
97.02866	0.3
98.97575	0.8
103.05458	9.1
104.05786	0.2
105.07053	0.4
106.06558	0.2
107.04955	0.9
108.04456	0.6
110.06050	0.2
111.04427	0.2
116.98624	0.5
117.03355	0.3
118.06506	0.2
119.04910	0.2
119.07301	0.2
120.08094	100.0
121.02859	0.2
121.06502	5.9
121.08427	2.3
122.06973	0.1
123.04443	0.2
124.03952	0.2
125.05959	0.2
131.04907	1.4
134.06030	0.3
134.99605	0.2
135.04408	1.6
135.08038	0.6
137.05942	0.5
138.05466	0.3
145.02870	0.4
148.04759	0.4
149.05949	0.4
151.03955	0.2
152.04349	0.2
152.07062	0.5
153.05482	1.0
163.03893	2.3
163.06276	0.2
163.07503	1.0
163.11115	0.2
165.09175	0.2
166.06174	0.2
180.03732	0.5
180.06396	0.9
180.10106	2.0
180.12523	0.2
181.04942	0.9
181.08600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0493
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
53.03944	4.5
54.04714	0.7
54.89305	0.5
55.01865	5.4
55.05488	1.4
56.96551	1.0
57.03415	1.6
59.06115	0.8
65.03934	33.6
66.04267	0.6
67.05501	12.4
68.02634	0.8
68.05021	1.2
68.99770	1.4
69.03416	4.6
69.07055	2.1
70.76682	0.6
70.77019	1.0
71.04984	1.0
77.03922	1.1
79.01840	0.5
79.05063	0.7
79.05486	9.1
79.15318	0.4
80.05768	0.5
81.03400	2.8
81.04536	0.6
81.07042	2.1
82.00533	0.9
82.03726	1.1
82.04186	13.9
83.04976	2.5
83.06076	0.7
85.02895	19.3
85.06500	0.6
89.03920	2.5
89.15231	0.5
91.05475	15.1
92.06246	0.7
93.03394	5.6
93.07037	8.9
95.04957	9.9
95.06080	1.5
95.08576	1.3
96.05692	0.9
97.02883	2.1
97.06516	9.4
97.07584	0.8
98.07139	0.6
98.97564	6.7
99.04419	0.7
99.05541	0.9
101.02402	0.6
103.05458	8.8
105.03413	0.6
105.04498	2.1
105.07018	2.5
107.04943	9.6
107.06073	0.6
107.08572	4.5
108.02081	8.5
109.02867	0.6
109.06509	2.1
109.07593	0.6
109.94530	0.5
110.03650	13.7
110.07158	0.8
111.04430	9.0
111.08042	0.9
114.03176	0.5
115.05443	1.0
116.98615	7.2
117.03397	2.6
117.07035	1.5
119.04910	2.3
119.08544	0.8
120.05675	1.0
121.02856	2.1
121.04027	0.5
121.06487	12.0
121.08385	0.9
121.10124	4.4
122.07162	1.1
123.00769	4.4
123.04416	1.6
123.05527	1.0
123.08092	1.5
124.05190	0.9
124.08739	0.9
125.02318	0.6
125.05980	9.7
125.06969	0.8
125.09641	0.6
127.00278	0.6
131.04910	1.9
133.02859	0.8
134.99626	5.0
135.04388	8.2
135.08034	5.6
135.11632	1.3
136.05215	0.7
136.07588	0.7
136.08694	1.0
137.02357	1.7
137.05994	5.2
137.09537	0.6
138.03108	7.4
138.06699	1.3
139.03839	2.1
139.07507	1.5
139.11121	0.5
140.08167	0.9
142.02605	8.5
145.02823	3.6
145.10068	1.2
147.04443	0.7
147.60129	0.5
148.05194	1.4
149.05978	5.5
151.03899	1.7
151.07501	1.6
153.00723	0.9
153.05453	3.3
153.09192	0.7
156.04189	0.8
163.03882	16.6
163.06128	1.2
163.07521	22.1
163.11104	2.5
164.08113	0.9
166.06255	3.8
170.02025	0.6
171.05017	0.6
171.06512	17.4
181.04936	100.0
181.08502	15.6
181.10803	2.3
181.12239	2.3
182.05276	1.6
192.72430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0493
Annotation	m-Hydroxyphenylpyruvic acid
Peak:m/z	Relative Intensity
53.03945	2.3
54.03454	0.3
55.01863	1.6
55.05491	1.0
56.05000	0.4
56.96553	0.7
57.03422	0.9
57.04527	0.3
59.04988	0.4
59.06104	0.9
63.02367	0.8
65.03930	2.9
66.28255	0.3
67.05505	2.4
68.05008	1.1
68.99775	0.6
69.03409	0.8
69.07053	0.8
70.06590	0.7
70.21493	0.9
71.05037	0.3
74.06070	0.4
75.31435	0.4
76.84913	0.4
77.75259	0.5
79.05486	6.3
81.03405	1.4
81.04540	1.1
81.07057	0.9
82.06595	0.5
83.04977	1.6
83.06072	1.7
83.08630	0.4
85.02891	1.2
85.07677	0.4
89.03909	18.1
91.05476	12.8
93.03406	1.0
93.07030	8.1
94.06590	0.4
95.04963	5.9
95.06065	0.9
95.08597	0.9
96.04495	0.5
97.02898	0.8
97.03970	0.4
97.06491	1.3
97.07635	0.8
98.05986	0.4
98.07154	0.6
98.97581	3.9
99.05563	0.8
103.05461	8.9
105.03357	0.4
105.04492	0.8
105.07040	1.0
106.04154	0.4
107.04948	13.9
107.06060	0.6
107.08589	2.3
109.02855	0.6
109.06516	0.8
109.07632	1.1
109.31731	0.3
110.03658	0.5
110.07178	0.6
111.04443	2.9
111.08031	1.0
113.07064	0.4
114.06633	0.6
116.98607	4.4
117.03367	19.6
117.06995	0.7
118.03634	0.3
119.04929	2.5
119.05735	0.4
119.05999	0.4
119.08522	0.6
120.05688	1.5
121.02844	0.9
121.06499	13.8
121.10128	1.6
122.03631	1.1
122.05912	0.4
122.07117	1.9
123.04409	2.3
123.05503	0.9
123.08008	0.8
123.09089	0.4
124.08675	0.8
125.05961	2.4
125.07004	0.7
125.09574	0.6
131.04906	1.5
133.02840	1.0
134.99658	4.8
135.04408	41.7
135.08022	2.9
135.11665	0.9
136.04793	0.6
136.07616	0.5
136.08705	1.0
137.05972	9.4
137.07005	0.4
138.03059	0.6
138.06627	1.1
138.10219	0.4
139.03886	2.5
139.07507	0.6
139.09756	0.6
140.08144	1.0
143.43729	0.3
145.02838	23.2
145.03862	0.9
145.10132	0.6
146.03174	0.8
147.04420	0.7
148.05225	1.8
149.02345	0.9
149.04918	0.6
149.05972	5.5
150.06854	0.3
151.03885	1.5
151.07507	1.1
153.00658	0.9
153.05469	4.0
153.06648	0.6
153.09019	0.5
154.09778	0.6
163.03893	100.0
163.07501	2.1
163.11162	1.2
164.01620	0.8
164.04230	2.3
164.07019	0.5
164.08249	2.2
165.06932	0.3
166.06267	4.7
167.03351	0.4
167.06996	0.6
171.02817	0.3
181.05016	8.6
181.06731	1.1
181.08578	16.9
181.10770	2.5
181.12228	1.5
181.14471	0.4
182.00847	0.5
186.05525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0857
Annotation	Coniferyl alcohol
Peak:m/z	Relative Intensity
53.03934	2.5
55.01874	4.1
57.03437	6.0
61.81047	0.6
65.03930	3.0
67.05502	6.2
68.05027	1.4
69.03429	1.4
69.07059	0.7
70.58137	1.4
72.66688	0.6
79.05485	8.6
81.03449	0.9
81.07050	1.3
81.48408	0.6
82.04198	1.2
83.04965	2.1
83.06120	0.8
85.02906	2.2
85.08428	0.7
89.03922	1.9
91.05475	14.4
92.62507	0.8
93.07042	13.1
94.04185	1.9
95.04964	10.9
96.05721	0.7
97.02885	1.5
97.06523	0.9
98.97562	4.1
103.05465	42.9
104.05798	1.1
105.04516	1.5
105.07032	9.1
107.04951	100.0
107.08591	2.2
108.05261	1.6
109.07605	0.8
110.03660	1.0
111.04459	1.9
111.08024	0.9
115.05474	0.7
116.97895	0.6
116.98582	3.7
117.03375	3.3
117.07018	0.8
117.46395	0.6
119.04891	2.2
120.05707	1.9
121.02837	1.3
121.06496	36.7
121.10163	1.6
122.03648	2.4
122.07162	1.4
123.04425	2.9
123.08007	0.9
124.05215	3.8
125.05984	2.9
125.09648	0.9
131.04921	15.0
131.05840	1.2
134.81223	0.6
134.99693	1.9
135.04410	6.4
135.08047	25.6
135.11650	1.1
136.07564	0.9
136.08638	0.9
137.05974	21.9
138.03027	0.7
139.03914	1.4
139.07518	1.8
140.08168	0.7
141.29816	0.7
145.02859	2.7
147.04420	1.5
148.05176	20.3
149.05966	15.6
151.07547	1.5
153.05530	1.5
163.03906	11.8
163.07535	26.0
163.11148	1.2
166.06270	1.6
166.37253	0.7
171.06471	1.3
181.04999	9.1
181.06529	1.0
181.06985	0.9
181.08591	10.5
181.10063	1.0
181.10918	1.2
181.12186	1.3
182.08121	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0857
Annotation	80638-48-8
Peak:m/z	Relative Intensity
50.51274	1.4
53.03941	12.3
55.01865	7.6
55.05491	2.5
56.05024	1.9
56.96550	3.8
57.03421	3.0
59.04950	1.4
59.06111	1.6
61.26118	1.2
65.03925	12.8
67.05506	9.4
68.04999	1.9
68.99760	1.5
69.03386	3.6
69.07044	2.0
70.49741	4.5
71.04969	1.6
73.99991	1.5
77.03920	1.9
78.04697	2.5
79.05488	12.4
81.03397	4.6
81.07039	4.6
82.04200	3.2
82.06565	1.5
83.04974	3.3
83.06102	2.4
85.02877	4.6
86.73119	1.4
89.03912	3.0
91.05473	88.3
92.06258	4.4
93.03380	5.6
93.07037	60.1
95.04966	24.7
95.06076	4.2
95.08566	4.1
97.06504	5.2
97.07665	2.5
98.07171	2.4
98.97567	12.3
103.05462	46.1
104.05788	3.1
105.03381	2.5
105.04499	6.0
105.07018	5.6
106.04144	4.7
107.04942	38.3
107.08587	7.4
109.06504	4.8
109.07584	1.7
110.03640	5.9
110.07211	1.4
111.04447	8.4
111.08022	1.6
116.98611	10.9
117.03357	4.3
117.07016	1.5
119.04942	14.1
119.08551	1.6
120.05712	10.4
120.08089	2.6
121.02831	3.8
121.06493	82.6
121.08397	16.4
121.10118	6.7
122.03618	1.4
122.06007	1.3
122.07035	4.3
123.04422	11.5
123.05282	2.4
123.08046	2.5
124.05196	3.7
124.08706	1.8
125.05991	8.8
125.09613	1.6
131.04897	6.0
131.05943	2.0
133.02824	8.4
134.03644	2.6
134.99663	11.5
135.04411	10.2
135.08047	12.6
135.11717	4.0
136.05153	3.9
136.07602	1.5
136.08653	2.4
137.05986	22.4
138.03098	3.4
138.06764	8.1
139.03888	3.6
139.07510	4.3
139.09782	1.7
140.08168	2.0
142.02647	2.3
145.02818	2.5
145.10078	2.1
147.04388	9.0
148.05179	17.0
149.02365	3.9
149.05974	32.4
150.06708	1.7
151.02827	1.9
151.03893	11.3
151.07512	5.9
152.04268	1.3
153.05432	10.0
153.06679	2.4
153.09084	3.2
163.03902	19.4
163.07538	12.0
163.11169	4.7
164.06976	1.6
164.08192	1.5
166.06238	42.4
171.06609	1.8
180.60495	1.3
181.05002	23.0
181.08578	100.0
181.10652	2.9
181.12241	5.3
182.09035	1.9
192.07607	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03925	4.5
55.01870	4.8
55.05496	3.9
56.96552	16.4
57.03434	2.1
57.07054	4.2
57.31761	1.0
59.04979	4.6
59.05644	0.9
65.03924	6.2
66.65812	1.0
67.05492	7.4
69.03410	3.9
69.07066	6.1
70.85435	0.9
71.02100	2.9
71.95222	2.5
75.04461	1.4
75.42323	1.0
78.04681	1.4
79.05486	15.4
81.03405	2.6
81.07043	12.7
82.04172	2.3
83.04967	9.9
83.08614	2.7
85.02895	3.4
85.06538	1.2
89.03900	1.2
91.05472	24.5
92.05743	1.2
93.03388	2.4
93.07030	36.0
95.04955	15.1
95.08593	16.7
97.02863	1.3
97.06526	9.4
98.97569	73.0
103.05466	10.1
105.04478	2.1
105.07028	5.6
106.04149	3.7
107.04944	12.0
107.08576	34.9
109.02838	1.1
109.06519	3.1
109.10139	2.8
110.03652	2.5
111.04422	4.1
111.08059	3.1
116.98602	97.8
117.06998	2.4
117.98918	1.4
119.04913	2.7
119.08562	4.4
121.02850	1.5
121.06489	46.2
121.10124	28.3
123.04408	3.3
123.08063	5.5
124.05182	3.3
125.05981	16.2
125.09560	1.4
125.19780	1.0
134.03606	2.4
134.99638	100.0
135.04405	7.9
135.08072	5.0
135.11670	44.6
135.99992	1.2
136.05185	2.2
136.07524	1.4
136.12012	2.1
137.05952	5.4
137.13232	1.3
138.03102	2.3
138.06793	6.4
139.03874	1.1
139.07533	11.1
139.11136	2.4
140.00139	7.2
142.02606	1.3
145.10115	13.7
148.05162	3.6
149.05963	17.6
149.38315	1.1
150.06744	1.3
151.03870	4.8
151.07530	5.1
152.06259	1.2
153.00674	22.4
153.05452	4.5
153.06841	1.1
153.07996	1.4
153.09085	3.4
153.12704	2.9
158.01251	15.2
163.03893	5.0
163.07533	5.8
163.11153	46.9
164.06932	1.4
164.11577	1.1
165.05528	4.9
165.06754	1.5
166.06277	12.7
171.06448	2.2
176.02274	3.0
181.01370	1.6
181.02708	1.6
181.04965	26.9
181.06470	1.9
181.08607	33.5
181.12206	91.9
182.07956	1.2
182.12573	2.1
184.03670	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0811
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.02368	1.2
53.03941	6.9
55.01858	2.6
55.05501	5.3
56.05024	1.0
58.02946	2.9
58.32684	0.8
63.78215	0.8
65.03938	7.9
67.05500	26.6
69.03426	1.8
69.07071	4.8
69.12267	0.8
70.02943	1.4
70.06574	1.7
71.52686	1.2
77.03933	1.0
79.05486	32.6
80.04983	2.4
81.03401	1.1
81.07052	42.4
82.02937	1.1
82.06576	1.5
82.07397	0.9
83.04993	1.5
83.06130	1.1
83.08617	4.7
84.08120	2.5
86.02431	6.4
89.35100	0.8
91.04961	1.4
91.05476	13.0
92.04973	2.1
93.05780	8.9
93.07042	4.9
94.06552	2.3
94.07358	1.2
95.04963	37.0
95.08591	5.1
96.04460	3.1
96.05725	1.2
97.02877	1.0
97.05260	0.8
97.06524	11.1
98.06068	4.9
98.09679	2.7
98.98489	1.1
105.03362	2.5
105.04469	1.7
105.07018	2.6
106.06564	1.7
106.07343	0.9
107.04939	1.6
107.07358	4.5
107.81509	0.9
108.04447	3.4
108.08109	63.6
109.02814	1.2
109.06509	8.5
109.08423	1.1
109.10167	2.6
110.06032	5.3
111.04426	1.4
118.03718	1.1
118.06532	2.5
119.08578	4.2
120.04450	1.6
121.02853	1.0
121.05222	3.4
121.06541	1.0
122.05999	2.4
122.06882	0.8
122.10453	1.9
123.04422	26.5
123.05376	0.9
123.08044	1.1
124.05153	1.3
124.07555	2.4
125.02335	1.2
125.05991	31.5
125.06942	2.1
126.05504	35.0
126.09142	20.6
133.06500	2.0
134.06026	2.1
136.07567	100.0
137.05974	9.4
137.07886	2.7
137.09601	2.6
138.05505	4.1
139.07449	0.9
140.04669	10.0
140.07066	1.7
140.08156	3.7
141.05443	1.3
146.03200	1.2
147.07994	1.0
152.07008	1.9
153.05461	2.1
153.07820	3.5
154.07344	1.7
154.08614	29.8
155.07027	6.9
164.04332	4.4
164.07056	90.0
165.05476	1.2
165.07443	2.9
165.09036	1.3
166.98491	1.0
167.07002	2.5
181.04939	2.0
182.05470	3.1
182.08104	88.0
183.06520	1.9
183.08365	2.3
191.10838	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
54.03463	0.3
55.01873	0.7
55.05503	0.6
56.05029	0.4
56.96564	0.5
57.03429	0.3
58.02948	0.8
58.06603	0.7
59.06120	0.6
60.04524	0.8
65.03932	7.7
67.05497	93.3
68.05022	0.7
68.05828	1.2
69.03428	1.1
69.07060	7.3
70.06605	0.5
70.85835	0.4
70.86176	0.5
71.04977	0.4
79.05467	1.4
80.04993	0.8
81.03404	0.9
81.04523	0.7
81.07040	1.2
82.05342	0.3
82.06567	0.7
83.04984	0.6
83.06098	0.6
84.04498	0.3
85.02886	0.4
86.02424	2.1
86.06059	1.3
90.04202	0.4
91.05477	1.3
92.05790	0.9
93.07030	0.9
94.04168	0.5
94.06563	0.7
94.07373	0.4
95.04956	100.0
95.08606	0.5
96.04453	0.4
96.05295	1.3
96.08128	0.4
97.02873	0.6
97.06487	0.6
97.07661	0.5
98.06020	0.7
98.07142	0.6
98.98443	0.7
99.05598	0.3
101.00864	0.3
103.05466	0.6
104.05788	0.8
105.03392	1.7
105.04491	0.6
105.07009	0.3
107.04933	1.3
108.04510	0.6
108.05267	2.2
108.08117	1.7
108.08778	0.3
109.02889	0.8
109.06501	0.7
109.07623	0.9
110.06026	1.0
111.04426	0.6
111.05537	0.4
113.02396	0.3
113.05999	2.0
116.98591	0.7
118.03676	0.4
119.01856	0.3
119.08571	0.5
120.05209	0.3
121.06477	1.1
122.03642	0.7
122.06023	0.6
122.06905	1.2
123.04388	4.4
123.05495	1.1
123.08025	0.9
124.07572	1.5
124.08414	0.4
125.02365	0.4
125.06053	0.4
125.07076	0.6
126.09080	0.5
127.57269	0.3
131.01913	0.3
132.05261	0.5
136.04756	0.9
136.07568	6.6
136.08592	0.8
137.05994	2.1
137.06955	0.4
138.05368	0.5
138.06305	5.4
139.03893	1.5
139.07498	0.7
139.09790	0.4
140.04700	2.2
140.07126	0.4
140.08102	1.5
141.01794	0.4
141.06541	0.6
143.74716	0.3
146.03122	0.3
147.04401	0.5
148.08676	0.4
149.05594	0.8
150.06375	0.7
153.05406	0.4
154.07359	0.5
154.08598	8.0
154.09811	0.5
155.06987	1.2
164.01578	0.7
164.04274	2.1
164.06931	2.2
164.08301	1.8
164.10666	0.3
165.05379	1.0
165.09019	0.4
166.09756	0.4
166.98553	0.4
167.03439	0.4
167.06953	0.3
168.09164	0.3
168.59975	0.3
171.55595	0.3
180.56021	0.4
181.04875	0.5
182.00909	1.0
182.04359	1.0
182.08058	14.9
183.06447	1.2
183.08113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1539
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
55.01851	0.8
55.05508	9.7
55.90451	0.8
57.03418	2.5
57.07078	3.7
58.02959	40.3
67.05122	0.9
67.05502	26.6
69.07064	78.0
69.22130	0.7
70.06591	3.5
70.06911	0.7
70.07396	0.9
71.05006	1.0
72.08129	1.1
74.06061	2.3
75.42011	0.6
79.05477	7.4
79.58929	0.8
81.07054	25.4
82.07362	0.7
83.04977	1.7
83.08607	8.3
84.08142	11.8
85.06529	1.1
86.06055	1.7
87.32995	0.6
91.05476	6.3
92.05783	1.0
93.07039	12.6
94.07327	0.9
95.04981	4.0
95.08595	6.9
97.06520	6.3
98.06030	2.7
98.09686	2.7
100.07607	7.2
100.85921	0.7
104.05811	1.8
105.07020	16.7
106.07355	1.2
107.04932	2.0
107.08585	21.6
108.05285	5.2
108.08079	1.0
109.06498	2.5
109.10151	57.2
110.10487	1.5
111.08062	0.9
112.07582	2.9
114.09157	14.4
116.68784	0.7
119.08551	2.3
121.10114	1.9
122.06816	1.5
123.04356	1.0
123.08076	1.0
123.11701	8.2
124.11206	1.1
126.09150	15.7
126.12769	2.3
130.54010	0.8
132.05252	1.6
133.10123	32.4
134.10413	1.0
135.11693	21.2
136.00006	0.7
136.08397	1.3
137.13216	0.9
138.12770	23.6
140.10745	1.0
140.14377	0.8
147.11676	5.5
149.05536	1.8
151.11147	10.5
153.08084	1.5
153.12740	13.5
154.08411	2.5
154.15852	1.8
164.07980	1.5
164.14314	2.4
165.12785	3.1
182.15399	100.0
183.15707	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	183.0651
Annotation	3-Hydroxy-4-methoxyphenylacetic acid
Peak:m/z	Relative Intensity
50.01603	0.5
51.02378	1.0
53.03941	13.5
55.01874	3.6
55.05509	0.7
56.05032	0.6
57.03413	0.9
58.06594	0.4
59.06110	1.5
65.03926	5.6
67.05499	9.7
67.05838	0.8
69.03425	1.8
69.07062	1.7
70.53748	0.4
71.04980	1.0
71.18893	0.9
71.19233	0.5
77.03920	1.8
79.05480	1.0
81.03413	2.6
81.07055	1.4
83.04959	1.0
83.06078	0.6
85.02902	0.9
85.06550	0.5
90.13150	0.4
91.05482	1.9
93.03381	0.5
93.07038	1.6
94.04179	0.5
95.04956	100.0
95.08606	1.9
96.05290	1.5
97.02886	1.4
97.06526	0.6
98.06068	0.4
98.97563	0.5
98.98452	2.0
99.04446	1.5
99.05597	0.5
104.76466	0.5
105.03396	2.7
105.04498	6.0
105.07020	1.8
107.08576	0.6
108.02068	0.6
109.06507	1.1
109.07655	1.0
109.10142	1.6
110.03674	0.6
111.04440	1.5
119.04937	0.6
119.08588	1.9
121.03982	1.2
122.03627	1.0
123.04413	75.1
123.08025	2.4
124.04798	1.6
124.08733	0.7
125.02330	4.9
125.05991	0.9
125.07095	1.1
127.01494	0.5
133.02853	0.9
137.05951	3.2
137.09595	1.3
139.07510	0.6
140.04666	30.2
141.05217	0.6
147.04393	1.6
147.08008	0.5
155.07014	18.0
165.05519	1.0
165.09088	0.9
166.09746	0.8
168.04175	0.6
168.09264	0.5
183.06541	6.0
183.10063	0.9
184.09702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0651
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02376	1.3
53.03943	14.2
55.01870	3.6
59.06108	0.4
65.03934	5.5
65.83565	0.4
67.05501	10.0
71.04980	0.4
75.65823	0.4
77.03919	2.9
79.05541	0.5
80.02641	0.4
81.03411	1.8
81.07066	0.5
83.32973	0.3
91.05452	0.6
93.03400	0.9
94.04203	0.4
95.04961	100.0
96.05286	1.1
97.02879	1.0
97.07548	0.4
98.98433	0.7
99.04449	0.8
101.76218	0.4
105.03394	1.5
105.04505	5.2
108.02086	1.0
109.06497	0.6
109.10148	0.5
110.03640	0.4
111.04436	1.2
119.96041	0.4
121.04006	0.5
123.04418	71.9
123.08044	1.0
124.04718	0.7
125.02352	5.7
133.31825	0.4
137.02303	1.1
137.05960	0.7
137.09622	0.4
139.03819	0.4
139.07506	0.5
140.04671	29.9
141.05078	0.7
155.07019	16.2
165.05434	0.5
183.06535	4.2
183.13846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0651
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02386	1.2
53.03943	15.3
55.01873	3.2
55.05497	0.7
58.97898	0.4
59.06116	0.8
65.03938	5.3
67.05497	8.8
68.99771	0.6
70.68060	1.4
71.05019	0.5
77.03913	2.4
79.05482	1.0
80.02587	0.4
81.03397	2.3
81.07021	0.9
83.04986	0.6
91.05486	0.7
93.03379	0.5
93.07030	1.0
94.04203	0.8
95.04958	100.0
95.08604	1.7
96.05293	1.7
97.02911	0.5
97.06506	0.5
98.98452	1.4
105.03421	2.5
105.04499	6.4
105.07011	0.7
108.02114	0.6
108.05698	1.0
109.02906	0.6
109.06508	1.0
109.10134	1.0
110.03644	0.5
111.04449	1.2
119.08578	0.6
121.03996	0.8
122.03621	0.6
123.04416	78.5
123.08035	2.1
124.05291	2.3
125.02352	4.6
125.06009	0.5
126.03162	0.6
127.07534	0.9
137.05975	1.1
137.09601	1.2
139.07523	6.3
140.04671	32.5
141.05414	1.6
155.05742	0.9
155.07016	18.7
165.05411	0.8
165.09166	0.7
168.09367	0.6
169.04953	1.7
183.06505	5.5
183.09137	0.6
183.11690	0.9
194.05737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1014
Annotation	Dihydroconiferyl alcohol
Peak:m/z	Relative Intensity
50.01586	0.1
51.02362	0.2
53.03932	1.3
55.01866	2.6
55.05500	0.5
56.05024	0.2
57.03428	0.3
59.04985	0.2
59.06121	0.9
65.03931	1.2
66.04713	0.3
66.67803	0.1
67.05499	3.1
68.05006	0.2
68.99785	0.3
69.03431	0.7
69.07055	0.2
70.06583	0.3
71.04979	0.9
71.52085	0.2
77.03915	0.6
79.05483	6.6
80.05799	0.2
81.03400	0.8
81.07044	2.0
82.06570	0.2
83.04968	0.5
83.06094	0.3
85.02901	0.5
85.06509	0.2
85.07645	0.2
86.08439	0.2
91.05473	3.4
93.03401	0.2
93.07033	1.4
94.04171	4.1
95.04955	12.6
95.08593	2.8
96.05291	0.2
97.02882	0.3
97.06531	0.5
97.07628	0.4
98.06006	0.2
98.98439	1.2
99.04436	1.6
99.05529	0.2
101.02385	0.3
101.94991	0.2
103.05451	3.3
104.05766	0.2
105.03391	2.6
105.04488	1.0
105.07016	34.9
106.07328	0.7
107.04942	0.8
107.08556	0.7
109.02878	1.4
109.06499	2.1
109.07637	0.6
109.08402	0.2
109.10135	1.8
110.03679	0.1
110.06030	0.2
111.00782	0.2
111.04429	0.8
111.08096	0.2
112.05204	0.2
113.05927	0.2
113.09589	0.1
115.05444	0.5
117.07024	0.3
119.01911	0.2
119.04915	0.3
119.08559	3.0
119.09364	0.2
121.03870	0.1
121.06474	0.1
121.10116	0.2
122.03632	10.1
122.07227	0.3
123.04421	8.3
123.08057	1.1
123.11646	0.4
124.05232	1.4
124.07564	0.4
124.08696	0.5
125.02352	0.9
125.05976	0.5
125.07107	0.5
125.09646	0.2
126.03097	0.7
126.88281	0.1
127.01543	0.2
127.03941	0.3
127.07487	0.1
127.08681	0.2
128.06160	0.2
133.02859	0.5
133.06473	26.7
134.06808	0.6
135.04416	0.3
136.08569	0.2
137.05957	100.0
137.09505	2.3
138.06296	2.3
139.03969	0.1
139.07503	0.6
140.04666	3.2
141.01770	0.1
141.05458	2.5
141.06621	0.2
141.06943	0.1
142.03497	0.2
145.03503	0.2
147.07962	0.6
148.08641	0.2
150.06763	0.3
151.03915	0.2
151.07567	0.3
153.01805	0.2
153.05467	0.3
153.06975	0.2
155.07034	2.5
155.08438	0.3
165.05504	0.6
165.07567	0.3
165.09084	4.8
165.12698	0.2
166.09702	0.3
168.04276	0.3
168.09354	0.4
169.04938	4.4
171.55455	0.2
180.55991	0.2
183.06580	2.0
183.08275	0.4
183.09134	0.2
183.10353	0.9
183.11699	0.2
183.12401	0.4
183.13809	0.2
184.07228	0.5
184.09668	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1379
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
50.58061	0.5
53.03943	3.0
55.01871	0.8
55.05504	1.6
57.07076	3.6
59.04988	1.0
65.03931	1.3
66.30656	0.5
67.05505	8.8
69.03414	0.8
69.07066	6.8
69.19901	0.7
69.24931	1.4
69.25340	5.1
71.04997	0.8
71.95243	0.6
73.06546	1.8
79.05472	2.7
81.03396	0.9
81.07052	33.9
82.07365	0.8
85.02913	0.9
85.06545	0.8
89.22424	0.6
91.05460	1.1
93.07033	1.8
95.04967	15.1
95.08603	10.8
96.05770	1.0
96.62701	0.6
98.98466	7.7
99.04445	0.7
100.64235	0.7
101.95020	6.8
105.02724	1.0
105.03387	13.7
105.04488	1.2
105.07011	1.0
107.08586	2.1
108.05725	0.9
109.02888	1.1
109.06554	3.5
109.10156	9.8
111.04420	0.9
119.08540	1.2
119.96075	4.7
121.10130	1.2
123.04414	9.8
123.11699	100.0
124.05200	5.0
124.12041	2.2
125.05969	0.8
127.01562	1.3
127.07538	1.4
133.02904	0.9
133.10213	0.7
137.05988	1.2
137.97089	5.4
139.07565	7.7
140.04662	2.2
141.05354	0.7
141.07045	0.8
141.09105	0.7
142.97615	0.8
147.11655	0.9
151.11159	5.7
153.06955	2.0
155.07021	2.4
155.08443	2.8
155.98134	3.0
160.04564	1.0
160.98701	2.1
161.22249	0.6
165.05510	1.5
167.08545	0.6
168.09384	2.4
183.06517	2.7
183.08038	1.6
183.09377	1.2
183.11705	2.7
183.13806	6.7
184.07535	0.6
193.62125	0.6
200.88881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01862	1.3
55.05505	0.8
56.96557	17.3
57.03427	4.4
58.31219	0.4
58.99852	0.6
59.04993	0.7
60.95842	0.7
61.02921	3.5
67.05504	0.6
69.03415	6.3
69.29802	0.4
69.90212	1.6
69.90630	1.3
70.03732	0.5
70.06569	0.7
70.98102	1.9
71.01334	0.7
71.04977	1.6
71.95252	1.3
73.02899	4.9
74.28171	0.5
77.00833	0.5
81.03410	2.9
82.99839	1.7
83.00781	1.0
83.04973	1.0
84.96027	1.5
85.01405	0.5
85.02429	0.8
85.02898	8.6
87.04463	1.4
88.99131	1.0
89.00783	1.1
90.01536	0.6
92.51456	0.6
93.07033	0.5
97.02872	8.9
97.96742	0.5
98.01284	2.2
98.20779	0.6
98.97569	15.9
99.04455	1.0
99.97906	0.9
100.02466	1.7
101.00188	1.0
101.00864	20.2
102.00967	0.9
102.02267	0.9
103.00600	0.9
103.02364	1.6
104.01292	1.1
107.01799	1.9
108.08153	0.5
109.02861	1.6
110.01268	2.6
110.06071	0.5
110.97534	1.2
112.02827	0.9
112.99131	1.9
113.00806	0.6
115.02431	4.8
116.01223	0.6
116.98614	6.9
117.02054	1.6
117.03915	1.2
118.01080	0.5
118.03494	1.3
119.01900	100.0
120.01963	4.7
120.03262	0.9
120.94560	0.5
121.01622	1.5
121.02419	0.9
121.03403	0.7
123.06812	1.4
124.02455	1.1
124.93880	0.5
124.95476	0.6
125.01806	1.0
125.03587	0.7
126.02540	0.5
127.02384	0.7
127.03908	3.6
128.02242	1.0
128.98560	2.5
129.03949	0.6
130.01862	0.6
131.00153	2.2
131.01825	3.8
132.01968	1.4
132.05013	0.5
133.01659	1.9
133.03427	4.6
134.02307	1.2
134.03557	0.6
134.99678	3.5
135.03108	0.8
135.05025	0.6
136.07555	1.6
137.02933	35.4
138.03069	1.3
138.05478	0.7
139.03287	0.7
140.02328	1.4
141.06383	0.5
142.03479	19.1
142.96533	1.8
143.00113	1.5
143.01881	3.5
143.03635	1.4
144.02098	0.6
144.03311	0.7
145.01677	2.2
145.03433	4.4
146.02319	0.6
146.99571	3.8
147.03229	0.8
147.04980	2.8
148.03917	1.2
149.01175	2.1
149.02858	2.7
154.03732	0.7
155.01729	0.6
155.02856	2.8
157.01685	1.2
157.03398	2.9
158.99631	1.4
160.04547	7.5
160.97583	1.5
161.01234	1.6
161.02933	17.5
161.04660	1.7
161.06560	0.6
162.03055	1.3
163.02750	2.8
163.04422	1.8
164.03348	0.7
165.00638	0.6
166.04918	1.0
166.08559	4.0
167.02188	0.7
173.02957	1.0
174.03062	1.1
175.02704	0.9
175.04489	1.1
177.00626	2.4
179.02280	1.9
179.03970	13.1
179.05560	0.9
181.03888	1.0
184.04649	4.4
184.06093	0.8
184.09595	3.7
185.02885	3.2
186.03011	0.5
187.02716	0.8
191.01837	0.5
193.05495	1.1
195.01868	0.7
201.00758	1.0
202.05603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0604
Annotation	3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate
Peak:m/z	Relative Intensity
55.01879	0.5
55.05510	1.1
56.05031	0.5
56.96558	8.1
57.03435	1.2
58.06609	0.4
60.95836	0.5
61.02932	0.9
65.03934	2.7
67.04255	0.4
67.05502	0.8
68.05026	0.5
69.03433	1.5
70.06605	1.0
71.48697	0.8
71.95266	0.8
73.02908	1.1
73.06551	0.9
80.94968	0.3
81.03402	0.6
82.06591	1.0
82.99845	0.4
83.04978	0.7
84.04525	0.3
84.96016	0.6
85.02899	1.8
86.06072	0.5
86.09708	0.7
88.17908	0.3
91.05489	0.6
92.04987	2.4
95.04971	1.5
95.06075	0.4
96.05319	1.0
97.02879	2.3
97.07635	0.5
98.97575	4.7
99.04462	0.6
99.97932	0.4
101.00863	6.7
101.95023	2.0
102.96865	0.4
105.03384	0.3
107.04962	3.0
108.05304	0.5
109.02857	0.5
109.07643	0.6
110.06036	1.9
110.97542	0.8
112.03959	0.4
116.98608	3.1
118.03565	0.4
119.01908	46.2
119.96050	1.6
120.02027	2.0
120.04459	3.0
120.97894	0.5
121.01650	0.6
121.97575	0.5
122.02319	0.5
122.05988	0.5
123.04419	1.3
124.02461	0.5
124.03947	0.4
124.04791	0.9
124.07592	0.5
125.02374	0.4
125.07104	0.5
128.98593	1.2
131.01923	0.9
132.01976	0.3
133.01653	0.4
133.03477	0.6
134.03040	0.4
134.99651	1.8
137.02936	19.7
137.05885	0.6
137.97067	1.1
138.03059	1.2
138.05476	7.3
141.05142	0.3
142.03487	9.0
143.00090	0.6
143.01872	1.1
143.03598	0.9
146.99631	1.0
148.03915	86.4
149.04320	1.8
151.02560	0.4
153.05554	0.3
155.04601	2.7
155.98193	0.4
156.03323	0.5
156.13785	0.4
157.03416	0.4
158.99698	0.5
160.04544	3.9
160.98813	0.5
161.01247	1.1
161.02934	5.1
161.04602	1.5
161.06543	0.8
165.04037	0.5
166.04980	100.0
167.05350	0.9
170.58731	0.4
177.00717	0.8
179.03993	4.9
179.05450	0.7
179.07504	0.5
183.97499	0.5
184.04604	0.5
184.06017	12.3
184.07283	0.6
184.09615	1.2
184.10988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0728
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05033	1.1
58.06612	0.9
60.08156	17.9
63.00339	0.3
69.71960	0.9
69.72366	1.6
71.07366	12.4
71.07758	0.7
71.95277	0.4
75.05442	0.3
77.73044	0.4
86.09695	100.0
87.10020	1.2
98.98456	17.0
101.95014	5.3
104.10735	4.3
106.03725	0.5
116.10003	0.3
116.99496	0.4
119.96081	2.8
124.04755	0.4
124.99989	77.0
126.00397	0.4
133.43077	0.4
137.97073	2.5
142.97687	0.4
143.01027	1.2
155.98189	0.7
160.98660	0.8
166.02646	0.7
172.85448	0.4
184.07320	88.4
185.07640	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0728
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05024	1.4
56.96549	0.8
58.06593	0.9
60.08157	21.0
62.14968	0.5
68.05035	0.4
69.84478	2.7
70.06590	0.6
71.07362	12.4
71.95261	1.1
86.09694	100.0
87.10059	1.0
88.66389	0.4
93.07054	0.5
96.05293	0.7
98.98451	17.6
101.95014	11.4
104.10731	4.3
105.03389	0.8
106.03729	0.6
119.95274	0.6
119.96063	7.1
124.04749	0.7
124.07578	0.6
124.99986	81.2
137.97081	8.4
142.97639	0.7
143.00996	1.6
150.53201	0.5
155.98131	4.5
160.98686	1.8
178.99783	1.5
184.07317	96.0
185.07588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.8
53.03933	1.4
54.84900	0.7
55.01862	2.2
55.05495	3.3
56.05027	0.9
56.96558	4.6
57.03422	2.0
59.04990	2.0
59.06113	1.0
60.04510	1.0
65.03934	1.6
67.05502	4.6
68.99774	2.5
69.03416	2.3
69.07056	2.9
71.04990	5.0
71.52852	1.2
72.08157	1.1
75.04467	1.7
78.76405	0.8
79.01852	2.1
79.05486	7.3
81.07051	11.0
82.04178	2.2
83.04970	3.6
85.02898	1.5
91.05473	2.6
93.03406	1.0
93.07038	8.1
95.01308	9.1
95.04961	3.4
95.08598	5.6
97.02882	1.5
97.06545	5.0
97.07642	0.9
99.04447	1.7
103.05447	0.9
105.07016	2.9
107.01322	1.0
107.04939	1.1
107.08605	6.2
108.01546	0.8
109.02868	2.4
109.06490	1.5
110.03658	29.4
111.04445	9.2
111.08035	1.4
113.25438	1.1
114.05503	2.1
114.11037	0.8
119.51656	0.9
121.03991	0.8
121.06480	1.8
121.10132	18.6
123.04440	6.9
123.08055	1.9
123.11676	8.7
125.05980	85.0
125.09638	3.3
126.06331	1.7
127.03925	5.1
128.06207	1.6
129.06934	1.4
131.08577	2.7
138.03084	1.7
139.02814	1.1
139.03893	21.7
139.07487	0.9
139.11188	5.4
140.04553	1.0
141.05467	0.9
142.02623	1.4
142.05872	1.1
142.07753	1.4
143.08498	2.2
145.02852	1.3
149.02428	1.3
149.09627	5.2
150.03094	2.3
151.03868	4.7
153.05452	100.0
154.06238	41.3
155.03403	4.0
155.06967	1.4
156.04196	1.4
157.06476	2.9
157.10104	1.9
158.06061	1.3
160.47183	0.9
163.01804	1.2
167.10669	4.8
169.03389	1.0
169.04962	0.9
170.05635	10.4
170.10939	1.1
174.02589	1.4
179.00192	1.6
183.03139	1.1
185.04523	1.5
185.06018	2.4
185.08089	23.7
185.09468	1.2
185.11667	2.3
185.13255	2.3
186.07449	1.0
197.01213	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	185.0806
Annotation	3-Methoxy-4-hydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
55.01870	1.1
55.05505	1.2
56.96540	0.5
57.03413	0.6
57.07060	0.5
59.54260	0.5
61.87933	0.5
65.03915	2.2
67.05487	2.1
68.30340	0.5
68.99774	2.2
69.03403	0.9
69.07051	1.7
69.62669	3.9
71.04950	0.7
72.08136	1.1
75.04478	1.3
79.01833	2.5
79.05479	1.7
80.02630	0.6
81.03379	0.9
81.07041	1.5
82.04185	2.2
83.04962	1.9
83.08592	0.5
85.02863	1.2
85.06497	0.5
86.09690	0.7
91.05486	0.7
93.03388	1.2
93.07022	1.4
95.01318	9.3
95.04967	3.0
95.08585	1.0
97.02856	1.0
97.06506	1.7
98.97565	1.4
99.04424	2.5
105.07014	1.1
107.01325	1.0
107.08576	1.5
109.02847	1.9
109.06471	0.9
110.03654	32.1
111.04449	8.7
111.08041	0.8
114.05508	0.8
120.68770	0.5
121.10155	1.9
123.00785	0.6
123.04414	2.0
125.02372	1.2
125.05980	84.9
126.06338	1.7
127.03910	5.6
127.08791	0.6
129.06970	0.8
135.04433	0.6
138.03108	1.0
139.03889	21.8
139.07555	0.8
140.04558	1.0
140.07063	0.5
141.05437	1.0
142.02615	0.7
142.05698	2.5
142.07739	0.9
143.08592	0.7
149.09535	0.6
153.05449	100.0
154.06232	43.5
155.03374	2.9
155.06892	1.1
156.04128	1.8
156.09241	0.7
157.06334	0.6
157.10074	0.9
163.01791	0.6
167.03319	0.5
167.07002	0.7
167.10661	1.5
169.04996	1.0
170.05481	9.7
170.10817	0.6
181.02863	0.6
185.02739	0.7
185.08086	25.2
185.13258	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03938	1.6
55.01859	2.1
55.05504	3.2
56.05025	0.7
56.96544	0.7
57.03419	1.4
57.07066	0.8
59.04993	9.0
59.06105	1.2
65.03931	2.1
67.05495	4.6
68.05014	0.9
68.99771	2.5
69.03429	2.9
69.07053	4.7
70.06583	1.4
70.61721	1.3
70.62118	1.4
71.04978	4.8
72.08138	1.6
73.06506	0.5
75.04463	1.0
75.05563	0.6
79.01849	1.6
79.05482	7.5
81.03403	1.8
81.07049	6.5
82.04184	2.2
82.06573	0.8
83.04973	3.6
83.06107	0.8
83.08625	0.7
84.04505	1.3
85.02897	2.5
85.06531	1.1
87.04433	0.8
91.05474	3.4
93.03366	1.6
93.07012	4.9
93.41063	0.7
95.01321	8.7
95.04961	4.5
95.08591	2.6
97.02921	1.1
97.06520	11.2
97.10225	0.6
98.06105	0.7
98.97603	1.3
99.04427	2.2
99.08093	1.0
101.05998	1.0
105.07010	1.8
107.01298	0.9
107.04274	0.8
107.04937	4.8
107.08585	8.1
109.02860	2.2
109.06507	1.9
109.07635	1.2
109.10135	1.6
110.03660	29.4
111.04441	11.1
111.08089	1.7
111.09180	0.7
114.05492	1.0
116.98598	1.0
117.03455	0.6
119.01866	0.6
121.00777	1.1
121.06502	8.9
121.10131	5.6
123.04413	2.6
123.08032	1.5
123.11699	0.7
124.05175	0.7
125.02359	1.5
125.05980	85.0
125.09610	2.2
126.05508	1.4
126.06380	1.7
127.03935	6.6
127.07615	0.8
127.08628	0.9
128.06206	1.4
129.07014	1.9
130.06558	0.6
134.03618	0.6
135.04379	0.8
135.08028	6.5
138.03130	0.7
139.01778	0.9
139.03894	24.0
139.07487	1.1
139.11131	3.2
140.04712	1.1
140.07076	0.8
141.05496	1.5
142.02621	1.2
142.05772	3.4
142.07733	1.1
142.09779	1.1
143.08522	2.9
149.09610	2.3
153.05449	100.0
154.06233	41.6
155.03391	3.4
155.07005	1.6
156.04134	1.8
157.04944	0.7
157.06450	1.0
157.10098	2.5
163.01797	1.6
167.07034	1.3
167.10692	2.3
168.08063	1.3
168.11267	1.4
169.04948	1.4
170.05455	11.0
170.10846	1.2
176.09924	0.6
179.30708	0.6
181.02864	2.4
185.02640	1.7
185.04448	2.0
185.08081	24.6
185.11777	1.1
185.13350	1.9
186.07614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1171
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03935	1.4
55.01862	1.6
55.05508	5.3
57.03436	1.6
57.07060	1.7
59.04996	9.0
67.05491	5.6
68.05023	1.2
69.03442	4.4
69.07068	8.0
71.04987	52.9
71.52775	1.6
73.02910	1.4
79.05051	1.5
79.05488	16.3
81.07047	48.5
82.04196	1.0
83.04964	3.4
83.08622	1.3
84.04489	1.6
85.02883	1.6
85.06532	2.5
85.84602	0.9
86.09705	1.2
87.04454	1.1
89.03896	1.0
91.05467	3.5
93.07036	16.2
95.04972	2.5
95.08595	15.3
95.70310	0.9
96.04491	1.3
97.02870	1.2
97.06522	12.7
97.10153	1.8
98.06042	1.6
99.04444	2.9
103.05453	1.2
105.07008	8.4
107.04965	2.5
107.08563	7.6
107.54530	1.1
109.02890	1.3
109.10106	1.6
110.03652	3.4
111.04447	1.9
111.08066	2.9
113.05981	1.3
114.05522	2.2
119.08556	1.2
121.06489	2.1
121.10133	100.0
122.10500	1.4
123.08092	3.3
123.11697	24.9
125.05986	29.8
125.09634	4.2
126.05508	2.8
128.06233	3.3
129.06995	3.7
131.08560	1.4
138.05505	4.1
138.06535	0.9
139.01791	1.3
139.03920	3.1
139.07533	1.6
139.11162	37.3
141.06967	1.3
142.07739	2.2
142.09883	1.0
143.08521	5.0
144.06555	1.6
145.02814	1.5
149.09592	8.1
153.05458	13.5
154.06252	4.7
155.08537	1.6
157.06470	2.7
157.08963	1.1
157.10136	3.6
157.12149	1.0
158.08063	1.1
167.10660	18.2
168.11394	1.3
170.05624	2.0
170.10909	3.4
181.02769	1.8
185.04521	1.6
185.05977	3.6
185.08055	2.5
185.09579	2.1
185.11705	10.2
185.13286	7.6
186.05557	1.2
186.07578	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0752
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03943	0.5
53.09572	0.3
55.05503	0.7
57.07082	0.6
67.05516	0.7
69.03432	2.1
69.83784	0.7
69.84179	2.1
71.01329	0.5
71.04995	0.5
71.89629	0.4
77.03934	0.5
79.05486	0.7
81.03403	2.1
81.07061	0.4
83.08606	0.5
84.04503	1.3
85.02899	0.8
85.06522	0.4
88.02201	2.5
91.05482	3.6
93.07076	0.6
95.04947	0.4
95.08598	0.5
97.02871	0.5
102.22664	0.4
103.05470	1.2
105.03413	1.9
105.06991	1.9
107.08595	0.5
109.02888	0.8
115.05419	3.0
116.06221	1.3
117.07005	3.2
118.64883	0.3
119.08558	1.3
127.03925	0.5
127.05334	0.5
128.06215	13.0
129.06992	100.0
130.07234	2.5
131.04912	2.7
131.08557	8.1
133.10028	0.5
141.06963	1.6
142.07739	0.6
143.04886	0.8
143.08527	1.3
144.05678	3.9
144.09332	0.8
145.06490	3.1
145.10097	7.5
145.11156	0.6
146.03185	0.8
154.07780	0.7
155.05983	1.9
157.06473	37.4
157.10092	1.1
158.06885	1.3
158.10951	0.6
159.04387	0.5
159.06874	0.5
159.08041	5.3
159.11664	4.1
169.10077	0.5
171.04420	0.9
172.05168	8.1
172.08791	1.0
172.12448	1.0
173.00818	1.3
173.05699	0.5
175.07544	0.9
187.03929	5.1
187.07524	53.5
187.11089	7.0
187.14784	7.3
187.22467	0.6
188.07869	1.6
198.09079	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
53.03955	0.6
55.01854	0.4
55.05502	0.6
55.22529	0.3
57.07074	0.4
67.05495	0.7
69.03418	1.6
69.07036	0.3
69.83981	2.0
71.01350	0.4
71.04964	0.3
79.05479	0.8
81.03402	3.0
81.07040	1.2
83.08600	0.7
84.04487	1.5
85.02890	1.2
88.02221	2.2
91.05467	4.6
93.07060	0.8
95.04971	0.8
95.08613	0.6
97.02878	0.7
98.21516	0.4
99.04424	0.9
103.05452	1.4
105.03390	1.8
105.07014	2.7
107.08559	0.6
109.02878	0.8
115.05418	2.9
116.06236	2.1
117.07025	2.9
119.08594	0.8
127.03925	0.9
128.06213	12.9
129.06989	100.0
130.07365	1.8
131.04927	3.1
131.08543	9.6
133.68344	0.4
141.06969	1.6
143.04904	1.1
143.08516	2.0
144.05687	4.2
144.09357	0.7
145.06467	3.7
145.10101	10.5
147.07970	0.4
154.07756	0.5
155.06029	1.7
157.06473	37.5
157.10060	2.0
158.06850	0.8
158.10881	1.0
159.04391	0.6
159.06879	0.6
159.08064	5.3
159.10640	0.4
159.11684	4.2
169.10088	0.6
171.04430	1.1
172.05173	7.2
172.08833	1.3
172.12534	1.9
173.00792	1.1
173.05898	0.4
175.07549	0.8
187.03973	5.6
187.07521	55.9
187.11133	6.5
187.14778	11.1
188.07933	1.7
198.09123	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01842	0.3
61.02919	0.3
67.05479	1.2
69.03430	1.6
69.07043	0.3
71.04974	0.3
71.53017	0.5
76.26189	0.3
79.05496	0.5
81.03417	1.8
81.07051	1.5
83.04958	0.7
83.08638	0.4
84.04033	0.4
84.04501	3.2
85.02880	1.0
88.02212	1.4
91.05468	3.9
93.07018	0.4
95.04933	0.5
95.08595	0.5
98.06048	0.3
99.04481	0.5
99.67848	0.3
103.05449	0.7
105.07024	6.6
106.07384	0.3
107.08600	0.5
109.02863	0.4
109.10139	0.6
115.05447	3.0
116.06217	0.8
117.07012	5.5
118.06548	0.3
119.08570	12.3
120.08865	0.4
123.11671	0.4
127.03922	0.6
128.06189	2.8
129.06993	15.1
130.07808	1.9
131.04912	1.8
131.08557	11.1
141.07076	1.6
142.07736	1.5
143.04881	0.9
143.08519	2.4
144.05682	2.3
144.09329	20.2
145.06474	1.3
145.10143	3.8
146.03152	0.6
146.05923	0.6
146.07027	0.4
147.07996	0.9
154.07800	1.3
157.06490	2.2
157.10103	2.3
158.07248	0.6
159.08069	3.8
159.11679	28.2
160.11964	0.5
169.06418	0.6
169.07800	0.4
169.10143	2.3
171.08054	0.9
172.05135	0.7
172.08810	12.2
173.00826	0.9
186.10345	0.7
187.03899	3.8
187.07657	5.8
187.11163	100.0
188.03821	1.1
188.11543	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	187.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53829	0.5
67.05499	0.6
69.03430	1.9
71.01331	0.6
71.52785	0.6
71.53176	0.7
79.05479	0.9
81.03400	2.5
83.08629	0.8
84.04499	1.1
85.02892	0.7
88.02210	2.1
91.05476	1.7
99.04456	1.0
99.45129	0.5
105.07018	1.9
106.41955	0.5
109.02892	0.7
113.00001	8.6
115.05416	3.4
116.06245	0.5
117.07008	1.4
119.08587	0.9
120.00607	0.4
127.03875	1.1
128.06163	3.0
129.06996	14.3
130.07788	0.9
131.04887	3.2
131.08543	3.5
141.06978	2.6
142.07758	3.4
143.04886	2.0
143.08543	2.5
144.05707	4.6
144.09358	2.8
145.06499	2.7
145.10110	3.9
150.85367	0.6
153.06996	2.1
154.07698	1.2
155.08522	7.0
156.09335	3.5
157.06480	10.9
157.10121	2.3
158.07266	7.2
159.04324	0.5
159.08046	8.2
159.11653	2.3
171.08040	1.8
172.08812	100.0
173.00821	1.3
173.05956	0.8
173.09592	14.9
178.67714	0.5
183.09140	0.6
187.03856	5.1
187.07611	3.7
187.11160	65.1
188.11858	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	187.1327
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03936	1.9
55.01859	2.5
55.05500	9.1
57.03415	4.0
57.07067	5.3
65.03941	2.3
67.05501	55.0
67.27724	1.3
69.03413	6.0
69.07060	9.0
70.87572	3.4
71.04988	70.9
79.05488	17.4
81.03403	4.5
81.07048	48.6
83.04969	6.5
83.08609	2.4
84.04488	6.3
85.02894	4.0
85.06536	100.0
91.05473	37.6
93.07027	16.1
95.04955	1.9
95.08585	5.8
97.06510	4.3
105.07021	41.6
107.08588	37.1
107.14146	1.4
109.06541	6.9
109.10146	55.9
111.08089	1.5
112.11451	1.5
113.05988	2.8
115.05442	3.6
120.41881	1.4
123.08026	2.9
123.11722	9.9
125.09630	2.0
127.03939	2.0
127.07504	2.4
129.07001	2.7
131.04962	2.0
131.08559	6.0
133.10117	68.9
134.10493	3.5
139.08974	1.4
141.06931	1.7
143.08578	1.8
144.05727	1.9
145.10081	6.5
151.11174	34.8
159.08038	3.2
159.11697	2.7
169.10028	2.2
169.12199	9.9
170.02693	1.5
187.03891	5.4
187.07523	6.1
187.11179	4.8
187.14868	3.0
188.03758	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	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
51.02362	0.6
53.03950	1.2
55.05510	3.1
56.96562	0.5
57.07065	4.1
58.36914	0.5
59.96460	0.7
65.03947	0.6
67.05494	7.3
69.03424	3.3
69.07055	3.2
79.05482	6.1
81.03398	3.5
81.07047	12.1
83.08593	1.5
84.04482	3.0
85.02884	2.2
88.02196	3.5
91.05470	25.1
93.07037	12.5
95.04954	1.2
95.08596	8.7
97.02899	0.6
99.04442	0.8
103.05453	1.2
105.07019	22.3
107.08585	7.7
109.02842	0.9
115.05420	4.7
116.06213	2.5
117.00706	0.6
117.07008	22.4
119.07715	0.8
119.08566	16.4
121.10149	2.7
127.03868	0.9
128.06227	2.1
129.06990	5.9
130.07788	5.8
131.04918	2.4
131.08548	69.0
132.09277	0.7
133.10120	5.1
141.06987	1.0
142.07681	0.8
143.04913	1.2
143.08557	8.0
144.05711	1.0
144.09341	3.0
145.10103	88.7
146.10695	2.3
157.06458	0.8
157.10094	3.1
158.10870	3.7
159.06953	0.8
159.08064	2.8
159.11671	25.0
166.63278	0.6
172.08768	1.6
172.12430	3.1
173.00758	2.3
173.05943	0.9
185.13220	1.7
187.03900	6.2
187.05978	1.0
187.07495	3.8
187.11330	5.7
187.14793	100.0
188.15158	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	188.0704
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.53796	0.3
53.22465	0.3
56.57281	0.3
58.55292	0.4
71.05678	0.3
71.27722	0.7
76.85403	0.3
84.04504	1.3
91.05466	4.6
103.05457	0.3
104.46144	0.3
115.05449	4.5
115.06210	0.6
116.04939	0.5
117.05762	1.1
117.07015	4.8
118.06528	61.8
119.06828	1.5
132.08081	0.7
142.06509	5.3
143.07291	10.2
144.04422	0.8
144.08070	23.6
145.06497	0.8
145.08409	0.7
146.05994	100.0
147.06349	1.8
155.06003	0.8
160.07561	1.1
170.05994	8.0
188.07047	21.6
189.07458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03925	0.9
55.01849	1.0
55.05502	4.1
56.77524	0.8
67.05481	3.5
69.03409	1.9
69.07080	1.8
71.52983	0.9
79.05476	3.5
81.07061	5.8
83.04935	1.5
91.05467	38.3
93.07034	6.0
95.04943	1.6
95.08586	7.1
103.05431	4.7
104.06242	1.7
105.03349	1.0
105.07016	29.8
106.87085	0.8
107.04945	7.7
107.08579	5.6
107.92411	1.0
109.10127	2.1
109.68916	1.0
115.05439	6.6
116.06248	4.1
117.06997	4.7
118.04172	2.0
119.04937	10.4
119.08567	20.7
120.05749	1.0
121.02878	1.2
121.06498	14.3
121.10135	2.3
128.06207	17.1
129.06993	36.8
130.07799	4.6
131.04907	23.6
131.08557	13.6
132.05693	3.1
133.02797	1.1
133.06480	7.2
133.10120	16.6
141.06949	2.3
143.04889	2.4
143.08574	6.9
144.05640	4.7
145.06480	11.0
145.10088	6.4
146.03593	2.8
146.06146	1.6
146.07249	27.6
146.10915	1.4
147.04358	3.2
147.08002	7.9
147.11676	11.2
148.05170	9.8
149.06001	1.3
149.09630	1.2
155.06047	1.5
156.09314	12.1
157.06453	10.4
158.07278	8.6
159.04375	6.2
159.08040	4.7
159.11649	3.2
160.05090	1.0
160.08804	3.4
161.05962	84.8
161.09592	58.6
161.13231	4.0
162.06375	1.5
162.09975	1.6
171.07991	1.5
171.11673	17.0
173.05981	1.1
174.06749	46.9
174.10379	3.7
181.01324	0.8
189.05501	7.8
189.09085	100.0
189.12674	29.0
189.16347	15.3
190.06175	2.2
190.08456	2.0
190.09828	1.7
195.09351	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0909
Annotation	Bullatenone
Peak:m/z	Relative Intensity
50.38469	0.3
53.31122	0.3
55.05487	0.6
61.88626	0.4
65.03931	0.5
65.53020	0.4
67.05491	0.5
69.03424	0.6
69.07054	0.9
71.52811	0.5
79.05486	1.1
81.07061	1.8
83.04976	0.6
91.05479	3.4
91.71386	0.3
93.07031	0.8
95.08607	1.9
103.05463	1.1
105.07018	5.4
107.08556	1.0
109.10083	0.4
115.05457	3.5
116.06192	2.0
117.07007	3.6
119.08572	4.0
121.10138	0.9
121.85107	0.4
128.06192	4.3
129.06987	2.7
131.04910	6.3
131.08571	1.3
133.06479	1.1
133.10118	4.1
141.06956	0.5
143.04884	1.5
143.08534	1.5
144.05664	1.7
145.06470	49.0
145.10159	0.9
146.07263	5.8
147.08014	1.3
147.11691	2.3
149.02263	0.6
149.05974	0.4
155.04910	1.0
155.06018	0.7
156.05820	0.5
156.09346	1.8
157.06532	0.6
158.07260	4.9
159.04407	2.5
159.08012	1.5
159.11671	0.5
160.05177	1.4
161.05948	2.0
161.09601	1.2
161.13263	1.0
163.42305	0.4
171.08012	0.6
171.11708	2.1
173.05934	1.4
174.06755	10.7
174.10434	0.7
189.05591	3.1
189.09085	100.0
189.12598	5.7
189.16368	4.2
190.09566	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	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.05497	2.6
62.97205	0.9
67.05505	4.7
69.03420	1.1
69.07049	2.5
71.52194	1.2
73.29599	0.8
79.05490	4.2
81.03427	1.1
81.07047	9.3
83.08639	0.9
91.05473	11.4
93.07032	3.5
95.08603	7.3
103.05441	2.4
105.07024	19.2
107.08584	5.9
109.10152	3.0
115.05446	4.3
116.06244	1.4
117.07000	2.3
119.08574	16.6
128.06212	9.1
129.07011	12.1
130.07756	1.0
131.04922	8.0
131.08580	4.2
131.09685	0.8
132.05676	0.9
133.06506	2.2
133.10120	20.8
135.42241	0.9
142.04140	1.3
143.04944	5.2
143.08517	2.6
144.05669	4.1
145.06480	9.8
145.08969	0.8
145.10103	2.8
146.07285	5.1
146.10886	1.3
147.08035	1.6
147.11685	10.7
155.06024	1.7
156.09344	5.0
157.06471	2.4
158.07268	30.6
159.04404	20.6
159.07982	2.7
161.04739	0.7
161.05954	4.8
161.07140	0.8
161.09593	4.3
161.13261	3.5
171.11685	5.8
173.05991	1.7
174.06757	74.7
174.13922	0.8
175.07414	1.9
187.03770	1.3
189.05548	4.8
189.09091	100.0
189.12633	12.3
189.16368	20.4
189.17764	0.6
189.18086	1.0
190.08661	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	189.0907
Annotation	Bullatenone
Peak:m/z	Relative Intensity
52.37072	0.6
55.05499	0.6
55.36800	0.5
58.52050	0.5
60.64932	0.5
61.93569	0.5
63.95992	0.6
64.12450	0.5
67.05515	1.7
69.03415	1.3
69.07050	1.4
69.80000	3.3
72.46415	0.5
76.16793	0.5
77.07455	0.6
79.05493	1.5
79.56612	0.6
80.78281	0.6
81.07041	3.4
83.08598	0.7
91.05482	4.9
93.07049	1.4
95.08594	4.1
103.05456	2.3
105.03421	0.7
105.07021	9.7
106.90527	0.6
107.08582	2.1
109.10136	1.7
111.92407	0.5
115.05425	4.9
116.06236	1.9
117.07010	2.3
119.08574	7.5
121.10171	1.1
121.84959	0.6
127.05434	0.7
128.06210	8.3
129.07005	7.8
131.04913	8.3
131.08572	2.7
133.06488	0.7
133.10117	8.9
142.04138	1.9
143.04916	5.5
143.08601	1.3
144.05695	5.6
145.06447	8.8
145.10129	1.7
146.07292	4.0
146.10884	0.9
147.08025	1.7
147.11682	4.6
149.02432	0.8
155.06062	2.3
156.09309	3.0
157.06491	0.7
158.07254	30.2
159.04396	20.1
159.05435	0.6
159.08025	2.8
161.05963	2.2
161.09593	1.9
161.13235	2.1
171.11671	3.2
173.05977	1.3
174.06746	84.6
175.07385	2.8
175.11134	3.7
189.09084	100.0
189.12622	8.1
189.16324	7.9
190.08449	1.2
190.09586	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01852	3.3
55.05494	2.1
56.05023	2.2
56.96560	8.7
57.03415	4.7
57.05809	7.8
58.06593	17.1
59.04987	1.3
60.04506	2.6
61.02915	2.3
67.05495	3.1
68.05026	1.4
68.99783	1.9
69.03439	5.9
69.07056	3.1
69.84866	6.9
71.04948	2.0
72.08126	1.4
72.93790	1.1
73.02909	2.4
75.05589	1.3
77.03900	1.2
79.01509	1.4
79.05488	3.3
81.03400	3.0
81.07036	2.2
82.06535	1.2
83.04970	3.5
84.04484	4.9
84.08144	1.6
85.02888	7.3
85.04813	4.2
85.06558	1.4
86.09695	30.5
87.04441	1.7
90.07555	1.2
91.05452	6.4
93.07018	2.7
93.82935	1.3
95.04944	3.5
95.08607	1.9
96.04478	41.8
97.02820	1.6
98.97565	5.6
101.02350	1.5
103.05473	1.7
104.04965	3.3
105.07014	11.8
107.08550	2.0
109.06505	1.5
109.07594	1.4
109.10100	1.1
111.00791	1.7
115.03932	2.0
115.05460	7.2
116.98593	5.6
117.07030	1.5
119.01883	3.1
119.04935	1.6
119.08583	7.7
120.55154	1.3
121.07607	1.5
128.06201	2.7
129.06982	2.2
130.06511	83.0
131.04890	2.6
131.08536	3.8
132.04428	100.0
132.10168	11.1
132.95827	1.3
133.06473	4.3
133.10098	5.4
134.99648	4.1
141.06927	1.2
143.08560	3.7
143.11786	3.6
144.08066	2.9
145.10129	2.7
146.03535	1.7
146.99582	1.6
147.04359	1.8
147.08003	2.1
147.11667	3.9
149.09460	2.7
154.06462	1.9
156.06783	1.5
156.09290	6.0
157.01294	1.6
158.05992	91.8
159.06358	2.0
159.08028	1.8
159.11653	1.9
161.05942	8.4
161.09557	2.2
161.13237	2.5
162.05429	2.3
171.02974	2.4
171.04337	2.0
171.07724	2.3
171.09167	37.7
171.11485	6.7
174.06754	2.1
174.10445	2.0
176.50786	1.3
177.00681	1.8
185.02942	1.6
187.54573	1.4
189.03993	6.5
189.05484	8.1
189.10277	35.8
189.12645	11.9
189.16347	3.8
190.04950	3.0
190.08569	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	189.112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51262	3.0
53.03954	3.4
55.01859	3.9
55.05294	3.0
55.05507	27.7
57.03437	39.1
57.07071	62.3
58.89418	2.9
61.02908	14.1
62.81289	2.9
65.28234	2.9
67.05495	16.6
67.10544	3.1
68.32752	2.8
69.03417	16.0
69.07067	22.9
69.30941	5.7
69.31349	28.9
71.01347	4.1
71.05000	3.3
73.02898	13.8
79.05492	19.8
81.03429	4.8
81.07049	45.9
83.04961	11.1
83.08595	13.3
85.02888	22.5
85.06541	27.7
87.08089	3.8
91.05468	14.8
93.07027	15.4
94.86528	3.6
95.04980	6.0
95.08604	14.5
97.02864	5.0
98.20734	6.3
99.08093	6.7
105.07050	18.7
107.08584	6.4
109.06499	8.4
111.04477	5.0
111.08016	10.0
117.06992	6.8
119.08562	15.9
119.09300	3.7
125.09637	4.5
127.07545	100.0
128.06271	4.1
129.06949	5.8
131.08522	4.5
133.06436	4.0
133.10123	13.0
141.09189	3.8
143.08609	4.4
145.10100	6.3
147.08049	5.4
147.11751	6.1
149.02283	5.7
153.09065	24.4
156.09323	8.1
159.11642	4.8
161.05952	7.8
161.09605	4.1
171.10211	7.0
171.11667	9.2
174.06737	11.6
174.10416	7.8
189.05428	6.1
189.09088	25.8
189.12653	17.7
189.16376	13.2
190.08604	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	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03406	4.5
70.46857	1.5
70.47207	5.2
73.01815	1.6
83.04980	1.4
84.30540	1.4
91.05472	6.8
95.04959	1.8
105.07018	14.0
107.08575	2.8
115.05437	2.0
117.07006	2.9
119.08563	17.3
121.10139	1.4
128.06154	4.7
129.06946	3.1
130.07765	3.3
131.08531	6.1
133.06480	2.4
133.10080	4.0
141.06970	11.1
143.08554	6.3
144.09271	2.3
145.10103	18.8
147.08029	5.7
147.11664	16.5
155.08493	2.9
156.09317	64.6
157.09698	1.8
159.08012	3.6
159.11670	15.3
161.09633	2.1
161.13281	1.7
171.11662	76.9
174.10387	13.7
189.12708	100.0
190.13068	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21248	1.3
59.04986	1.7
59.42624	1.4
62.32331	1.4
62.87527	1.4
69.03410	5.2
69.07027	1.7
70.97053	2.5
70.97404	2.0
74.24717	1.3
77.18144	1.5
85.02893	2.4
85.04837	2.9
87.00442	1.3
91.05473	5.2
101.27525	1.5
105.07021	11.7
107.08567	2.1
113.04759	1.5
115.05438	2.3
117.07013	3.6
119.08565	17.9
123.66978	1.4
128.06190	4.6
129.06970	7.1
130.07784	4.9
131.08546	5.1
133.06433	1.7
133.10120	8.3
141.06917	9.6
143.08539	6.4
144.09308	2.5
145.06435	1.7
145.10100	16.7
146.07254	2.2
146.10786	1.7
147.08040	8.0
147.11656	12.3
155.08580	2.0
156.09335	61.9
159.08014	5.9
159.11668	13.6
161.05974	4.3
161.09586	6.3
161.13306	2.8
171.11665	75.0
172.02936	1.4
172.12003	1.7
174.06819	2.0
174.10397	11.7
189.05403	1.9
189.09148	8.4
189.12724	100.0
190.13051	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	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62433	0.6
55.05495	2.7
67.05500	1.9
69.03426	4.6
69.07047	2.5
70.81114	1.5
70.81494	1.4
79.05496	4.4
81.07047	3.7
85.02871	0.8
91.05475	11.0
93.07053	3.6
95.04973	1.6
95.08601	2.4
97.06523	0.8
103.05462	1.3
105.07031	24.1
107.04947	1.8
107.08581	3.3
109.06485	1.2
109.10114	0.8
115.05427	2.7
116.06237	1.2
117.06984	4.6
119.04935	5.2
119.08568	29.9
121.06487	2.5
121.10139	1.7
128.06216	8.4
129.06993	9.6
130.07791	4.8
130.32591	0.7
131.04916	2.3
131.08563	8.3
133.06508	3.5
133.10114	14.0
135.08047	2.0
141.06993	7.7
142.07790	1.3
143.08540	9.6
144.09308	1.8
145.06430	2.0
145.10104	16.0
146.07248	2.7
146.10841	1.4
147.08031	12.0
147.10500	1.2
147.11676	22.6
150.98428	0.8
153.06934	0.8
155.08533	2.2
156.09331	45.5
157.06468	2.6
157.09659	1.3
158.07275	1.4
159.08038	10.2
159.09297	1.1
159.11694	11.1
160.08812	3.3
161.05994	5.0
161.09604	11.4
161.13242	11.1
171.08028	2.0
171.11676	54.8
172.11929	1.8
173.09625	1.1
174.06766	6.8
174.10393	17.7
174.11879	1.2
189.05449	1.6
189.09131	19.6
189.12730	100.0
189.16280	7.7
190.08467	1.2
190.13060	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	190.0498
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
56.96558	3.8
57.03431	0.5
57.07053	0.2
58.06602	0.3
60.04525	0.5
61.02932	0.3
63.77401	0.2
65.03928	0.2
67.05489	0.3
68.99797	0.3
69.03417	0.9
69.07050	0.2
70.09453	0.8
71.05000	0.4
71.58259	0.2
73.02901	0.4
79.05501	0.2
81.03392	0.5
84.04477	0.2
84.08141	1.5
84.96016	0.3
85.02891	1.0
85.06538	2.6
86.09690	0.5
87.04450	0.4
87.10032	0.4
89.03901	1.2
91.05467	0.5
96.80532	0.2
97.02876	1.1
98.20625	0.2
98.97585	2.3
100.99136	0.3
102.09179	1.5
105.07028	0.4
106.06538	0.2
107.04930	0.3
110.01250	0.3
110.97578	0.5
112.07581	0.2
112.99141	0.2
116.04980	3.2
116.98598	1.7
119.01846	0.4
119.04934	0.2
120.04442	0.2
121.06475	0.3
123.01147	0.3
127.03939	0.2
128.02301	0.4
128.98599	0.7
131.00160	0.4
134.06018	0.5
134.99648	0.9
135.31575	0.2
137.05984	0.4
139.51469	0.4
144.04477	0.7
144.10213	1.5
144.13808	0.4
146.99634	0.6
147.04370	0.4
147.99216	0.3
148.09659	0.4
149.01215	0.3
155.04582	0.3
158.99661	0.5
160.29764	0.2
161.01176	0.4
161.04659	0.4
162.05481	100.0
163.02750	0.3
163.05853	2.2
163.07309	0.3
164.05960	0.3
165.04343	0.3
166.00175	0.6
176.04530	0.2
177.00740	0.5
177.04254	0.2
185.02913	0.5
186.04393	0.2
190.04964	33.0
190.08600	0.7
191.03632	0.3
191.05266	0.8
191.06862	0.4
204.05476	0.2
207.01634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01860	1.4
55.05501	3.3
56.96560	29.7
57.03432	6.4
57.20662	0.4
59.04972	0.8
59.06097	0.8
60.04525	2.6
60.95832	0.7
61.02917	2.8
62.35877	0.5
63.82322	0.5
64.52415	0.5
65.03942	0.5
67.05482	0.8
68.99784	0.8
69.03423	13.5
69.07060	1.1
69.38959	1.5
69.39382	2.9
70.03751	0.5
70.06557	0.8
71.01339	1.3
71.04977	1.5
71.95232	1.2
72.04504	0.7
73.02911	6.1
73.06548	2.7
74.97597	0.8
75.04453	1.3
79.05473	1.3
81.03407	3.0
82.06540	0.6
83.00768	0.9
83.04965	1.2
84.01541	0.9
84.04523	1.1
84.08129	3.3
84.96023	2.8
85.02899	13.6
85.06524	5.0
85.64250	0.5
86.09681	1.8
87.04467	3.9
87.10016	1.7
89.03904	0.7
90.01528	1.1
91.02338	0.7
91.03883	0.5
91.05474	3.0
93.07005	0.7
95.04923	0.8
96.01562	0.5
97.00531	0.6
97.02292	1.0
97.02882	15.2
98.01294	0.8
98.03190	1.1
98.97576	20.9
99.02074	0.6
99.04440	1.4
100.99117	1.3
101.00825	1.0
101.02367	0.6
102.01529	1.6
102.09182	3.0
103.03919	0.6
103.05460	1.0
104.01258	1.3
105.00256	0.5
107.01733	0.8
107.04926	1.3
107.08559	0.8
109.02888	1.5
110.01273	1.6
110.97545	2.8
111.02079	0.8
112.99108	1.3
113.01791	0.9
114.06555	0.6
115.03911	1.9
115.53391	0.5
116.04977	2.9
116.98607	19.3
117.01962	1.2
117.07011	1.0
118.01012	0.6
118.98116	0.7
119.00180	1.4
119.01831	5.3
119.04962	1.5
119.08523	0.6
121.02852	1.4
121.06493	0.7
123.01183	1.7
123.02013	0.5
124.99028	0.7
125.01755	3.0
126.02531	0.8
127.01540	0.6
127.03916	1.3
128.02292	2.6
128.98587	6.5
129.02208	0.7
130.02838	0.7
131.00200	2.6
131.01820	2.3
131.03543	0.5
131.04881	0.8
131.99722	0.8
132.02565	1.3
133.01628	0.6
133.03423	0.7
133.04919	0.7
134.05963	1.0
134.99644	12.4
135.04337	1.0
137.02785	0.7
137.05949	2.8
137.98380	0.6
138.02557	0.7
139.51494	0.5
140.00195	0.9
140.02267	1.3
140.98608	0.9
141.02238	2.2
143.00137	1.8
144.10191	2.1
144.13821	1.3
144.98044	1.0
145.01659	1.4
146.02304	1.0
146.06000	0.7
146.99634	9.5
147.03220	1.4
147.04424	1.4
147.05707	0.7
147.99144	1.1
148.05128	0.6
148.09633	1.2
149.01212	6.1
150.00757	0.6
153.00693	2.1
154.03873	0.8
155.02850	1.1
155.04623	7.8
156.04898	0.6
157.03447	0.8
157.09538	0.6
158.01358	0.7
158.99643	5.4
161.01207	3.7
161.02936	1.5
162.05487	100.0
162.99147	1.3
163.02730	1.9
163.04164	0.7
163.04539	0.8
163.05865	2.1
163.07533	0.7
164.05167	2.4
165.00713	1.9
165.04308	1.6
166.00230	3.7
166.55385	0.6
167.02269	1.9
169.04420	0.7
170.99567	3.1
173.01144	1.3
174.98976	0.6
175.06331	0.8
177.00677	6.7
178.04869	0.9
179.02249	1.1
180.21422	0.7
181.03729	1.3
185.01241	0.7
185.02913	6.9
189.00664	3.7
190.04976	29.5
190.08444	2.8
191.07065	1.7
191.14275	1.2
193.03786	0.7
195.01759	0.7
195.05077	1.5
203.02353	1.3
203.03957	2.7
205.03912	0.6
207.01758	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1259
Annotation	EPTC
Peak:m/z	Relative Intensity
50.66563	0.4
50.99056	0.8
53.00285	0.4
55.05495	0.6
57.07069	25.6
59.38692	0.5
59.99110	4.3
62.99052	0.8
67.05497	0.6
69.03401	0.7
69.07034	0.4
71.52373	0.7
76.09048	0.4
76.61614	0.5
78.00146	40.6
79.05477	2.1
81.07042	1.0
84.08115	1.0
86.09222	0.7
86.09699	9.5
88.02180	0.6
91.05469	3.2
92.01674	1.5
92.05779	0.5
93.06998	1.6
95.04972	1.0
95.08570	1.3
102.04662	1.7
103.05465	6.1
105.03378	0.8
105.07006	3.2
106.07352	0.7
106.33447	0.4
107.04956	0.8
107.08566	2.0
109.06467	0.5
109.10130	0.9
115.05433	1.4
116.05286	0.8
117.03348	0.9
117.07001	1.0
118.04150	1.5
119.04916	1.4
119.08562	1.9
121.06487	1.2
121.10110	1.7
129.03333	0.4
129.07011	0.5
130.04137	0.9
130.06500	0.9
131.04927	5.1
131.08583	2.6
132.05678	1.7
133.02823	1.2
133.06496	1.1
133.10107	2.6
134.06335	47.0
134.10397	0.9
135.04419	0.5
135.08029	1.8
145.06487	0.8
145.10074	0.7
147.04402	7.1
147.08041	0.8
147.11650	1.3
148.05205	3.9
148.07843	3.8
149.02310	0.7
149.05939	0.5
149.09543	0.7
149.13249	0.9
157.09708	0.6
158.03654	0.5
158.10846	0.6
159.07993	0.9
160.05154	0.9
160.08749	1.1
161.05957	1.2
162.05513	0.9
163.07526	6.7
163.11162	0.5
172.11824	0.8
173.05872	0.7
173.09665	0.6
173.13235	1.8
175.03896	2.9
176.04678	2.4
176.08250	0.7
190.06218	11.1
190.08635	8.3
190.12582	100.0
191.03282	0.9
191.07011	7.4
191.08687	0.9
191.10596	2.8
191.12794	1.4
191.14319	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0701
Annotation	Oospolactone
Peak:m/z	Relative Intensity
51.02368	0.7
53.03934	1.6
55.01860	1.8
55.05506	0.9
58.15224	0.6
65.03928	1.0
67.05496	1.6
69.03419	0.9
69.07056	1.3
69.09937	0.4
69.42767	2.2
69.43192	1.4
77.03911	0.7
78.04698	0.5
79.05487	16.9
81.07053	1.4
83.04955	0.6
87.84480	0.4
91.04895	0.8
91.05473	16.0
92.06258	2.2
93.07043	2.5
95.04974	3.4
95.08582	1.7
97.94627	0.4
102.04679	1.7
103.05454	16.6
103.76859	0.4
104.06226	0.5
105.07021	45.2
106.07362	0.7
107.04938	3.8
107.08595	8.5
109.06505	1.4
109.10145	1.5
115.05436	4.2
116.06295	0.9
117.07007	3.8
119.04939	1.4
119.08581	1.1
120.05714	7.9
121.05658	0.8
121.06493	12.9
121.10128	2.4
123.08058	10.1
123.11687	0.9
127.16647	0.5
128.06198	0.5
129.06950	0.9
130.04164	2.8
131.04918	25.3
131.08565	6.6
132.05730	3.1
133.02815	0.6
133.06471	4.7
133.07597	2.8
133.10106	2.1
133.43478	0.4
134.03607	0.7
135.08040	100.0
135.11548	2.1
136.08356	1.6
138.06799	0.8
144.05701	0.4
145.06471	20.4
145.10143	1.1
146.07191	1.3
147.04398	5.8
147.08006	1.2
147.11636	0.8
148.05176	9.9
148.08803	0.8
149.05975	6.8
149.09586	1.1
149.13222	0.8
151.07556	0.6
158.07227	0.4
158.10960	0.8
159.04414	5.7
159.08051	3.9
160.08842	3.8
161.06009	3.1
161.09662	0.5
162.05424	0.5
162.06653	0.5
163.07527	72.6
163.11140	5.9
164.07829	1.0
173.05962	2.5
173.09651	0.9
173.13298	2.1
176.04694	4.1
176.08258	3.2
191.03351	0.8
191.07010	27.6
191.10651	21.4
191.14276	7.8
191.17874	0.9
192.07526	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0701
Annotation	Oospolactone
Peak:m/z	Relative Intensity
53.03939	2.0
55.01863	2.2
64.24975	0.6
65.03930	1.2
70.81892	1.8
77.03934	0.8
79.05483	16.8
81.07048	1.4
91.05472	14.2
91.16670	0.6
92.06258	2.5
93.07037	2.3
95.04945	3.0
95.08594	1.3
98.21288	0.6
102.04706	1.4
103.05453	15.6
105.04556	0.8
105.07019	49.8
106.07380	0.6
107.04945	2.3
107.08583	7.8
109.06539	1.6
115.05432	4.4
116.06158	0.8
117.07011	2.8
118.40405	0.6
119.04926	1.1
119.05949	0.6
119.08561	0.9
120.05732	6.5
121.06499	12.3
122.07262	1.3
123.08044	10.7
129.07014	0.8
130.04137	2.5
131.04916	22.6
131.08545	4.5
132.05717	3.3
132.54231	0.6
133.06473	4.1
133.07585	4.0
133.10167	1.0
134.03578	1.0
135.08041	100.0
136.08386	2.1
145.06467	19.4
145.10129	1.1
146.07144	0.7
147.04419	5.5
147.07990	1.0
147.11674	0.6
148.05186	10.2
148.08812	1.4
149.05960	8.7
149.09480	0.7
149.13229	0.8
159.04430	4.6
159.08028	2.2
160.08795	2.6
161.05986	2.5
162.06635	0.8
163.07526	70.2
163.11160	6.7
164.07814	2.1
173.05952	2.1
173.09642	1.5
173.13332	1.3
176.04704	4.7
176.08304	3.9
191.07008	28.2
191.10649	24.1
191.14262	3.9
192.07365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0701
Annotation	Oospolactone
Peak:m/z	Relative Intensity
53.03938	2.2
55.01867	2.3
55.05508	0.8
60.29342	0.4
65.03931	0.6
67.05492	1.2
68.23122	0.4
69.03422	0.5
69.07064	0.6
69.12614	0.4
70.42831	0.6
70.43166	0.8
71.41399	0.4
77.47500	0.4
79.05487	16.6
81.07078	0.6
83.05032	0.6
91.05474	13.4
91.06020	0.9
92.06254	2.3
93.07037	2.6
95.04968	3.8
95.08585	1.4
102.04667	1.6
103.05457	16.3
103.06145	0.9
104.06255	0.6
105.07022	48.5
106.07381	0.5
107.04940	2.7
107.08588	6.1
108.05743	0.9
109.06518	1.4
109.10143	1.0
115.05439	4.5
116.06258	0.9
117.07012	3.0
118.04135	0.6
119.04932	2.0
119.08559	1.1
120.05717	7.3
121.06496	14.9
121.10146	1.3
122.07258	0.7
123.08063	11.1
123.08952	0.6
129.07004	0.7
130.04121	2.3
131.04916	23.4
131.08560	5.1
132.05736	2.3
133.02867	1.0
133.06482	4.8
133.07610	3.2
133.10089	1.7
135.08040	100.0
135.11684	1.4
135.20752	0.5
136.08376	1.9
137.05873	0.4
138.06735	0.9
144.05695	0.5
145.06467	20.7
145.10156	0.5
146.07245	0.7
147.04413	4.0
147.08049	1.3
148.05176	9.6
148.08806	0.9
149.02321	0.4
149.05959	7.4
150.02690	1.9
151.07513	0.6
158.07246	1.2
159.04414	4.7
159.08066	2.0
160.08870	2.8
161.06004	3.1
163.07527	67.7
163.11131	7.0
163.14780	0.5
164.07895	1.5
169.71626	0.4
173.05995	1.7
173.09612	0.8
173.13275	0.8
175.07559	0.5
176.04694	4.6
176.08321	4.4
181.04959	0.5
191.07027	24.1
191.10645	25.7
191.14191	3.0
191.17978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0701
Annotation	Oospolactone
Peak:m/z	Relative Intensity
52.94373	0.5
53.03925	0.8
55.05491	0.9
69.37955	5.2
70.24176	0.6
72.82638	0.6
78.04691	1.2
79.05476	1.3
81.07068	0.9
91.05472	5.1
92.71595	0.6
93.07027	1.4
95.08578	0.7
98.20798	1.2
102.04684	6.6
103.05444	2.2
104.06254	1.0
105.03347	0.9
105.07011	3.0
106.04169	2.7
106.73799	0.6
107.04934	1.7
107.08584	2.0
115.05463	1.7
117.06976	0.8
119.04945	3.6
120.05698	2.8
121.06500	1.5
129.06984	0.7
130.04156	6.4
131.04910	6.6
131.08545	2.4
132.05704	2.5
133.02856	3.1
133.06470	2.0
133.10095	1.2
134.03604	1.0
135.08035	2.6
145.06456	2.2
145.10081	1.2
146.03607	1.4
147.04401	58.0
147.11743	0.7
148.05188	38.0
149.05630	0.7
159.08031	1.6
160.05190	1.7
160.08832	5.8
161.06001	3.0
162.03131	0.9
162.06744	6.0
163.07539	9.7
173.09744	0.7
173.13286	1.2
175.03932	1.9
175.07628	0.6
176.04688	36.1
177.04962	1.0
191.07024	100.0
191.10600	10.1
191.14270	2.4
192.07353	2.3
192.10243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1064
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
60.70542	1.0
60.92989	1.1
64.62417	1.0
69.60417	1.0
70.09643	2.0
70.10051	3.8
79.05470	1.0
83.01324	2.3
91.05485	2.2
93.07031	1.9
98.21471	1.3
105.07027	5.3
107.08588	3.3
111.04432	8.5
117.06999	1.8
119.08587	2.0
121.06505	3.8
122.07243	2.7
123.08066	3.7
130.07802	2.6
131.08514	1.8
135.08054	19.9
135.11716	2.0
145.10100	10.0
149.09573	1.5
151.07486	1.6
158.07242	3.9
161.06004	6.1
163.11177	20.6
173.09644	12.7
175.07460	1.3
176.08321	22.7
180.69270	1.2
191.10663	100.0
192.10921	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1064
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
51.02391	0.6
53.03942	1.9
54.14967	0.5
55.01867	1.4
55.05515	1.3
57.07059	0.8
59.05006	0.8
67.05497	1.1
69.03423	0.6
69.07065	0.8
70.84669	1.7
70.85028	0.5
77.03905	0.6
79.05484	12.8
81.03412	0.6
81.07040	1.5
83.04972	0.6
91.05470	19.0
92.06261	1.0
92.09487	0.5
93.07040	4.1
95.04947	4.3
95.08595	1.4
102.04687	1.0
103.05450	9.6
105.04536	0.7
105.07018	38.8
107.04926	2.9
107.08585	8.0
108.05714	3.6
109.06491	1.3
109.10144	1.3
115.05436	4.2
116.06210	2.0
117.07001	2.9
119.04951	1.4
119.08578	1.6
120.05738	4.3
121.06490	25.1
121.10135	2.5
122.07327	3.0
123.08050	20.5
123.11704	0.6
128.06218	1.3
129.07007	3.2
130.04137	1.3
130.07777	1.1
131.04910	11.2
131.08551	16.4
132.05672	2.1
133.06479	5.8
133.07610	2.3
133.10104	3.6
135.08037	100.0
135.11667	1.6
136.08366	2.8
137.05971	1.3
141.06969	1.4
143.08588	0.7
144.05661	1.1
145.06476	10.0
145.10097	1.5
147.04382	5.5
147.08022	1.6
147.11678	1.0
148.05174	8.1
148.07756	0.6
148.08829	3.5
149.05969	17.6
149.09595	2.0
149.13245	1.1
151.07558	0.6
158.07228	3.0
159.04433	2.8
159.08052	8.9
160.08820	7.1
161.05965	9.5
161.09581	2.1
162.05408	0.9
162.06651	0.9
163.07527	44.4
163.11156	26.3
164.11481	0.7
167.07043	2.0
167.95021	0.6
173.05913	1.1
173.09608	4.0
173.13203	1.4
175.07555	1.3
176.04713	4.1
176.08292	12.8
191.07011	17.6
191.10648	87.5
191.14252	9.7
192.11137	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05494	4.7
56.96542	1.9
57.03432	2.3
57.07074	1.5
63.39655	1.4
63.96128	1.6
67.05492	9.0
69.03426	3.9
69.07062	8.9
69.67422	8.3
71.04976	6.2
79.05489	12.4
81.07043	12.2
83.04915	1.7
83.08617	6.2
85.06490	2.8
91.05473	17.4
93.07040	18.0
95.04952	7.1
95.08604	10.7
97.06521	9.9
98.20779	2.4
105.07021	44.6
106.06517	2.4
107.04944	2.1
107.08585	38.8
109.06509	16.1
109.09470	2.1
109.10155	26.1
115.05423	3.0
117.07011	5.6
119.08566	27.0
121.06486	4.7
121.10128	25.2
123.08051	6.4
123.11688	6.9
129.07019	4.3
130.07726	2.1
131.08565	41.2
133.06445	1.6
133.10118	100.0
135.08040	31.2
135.11653	4.7
143.08572	8.2
144.09290	4.1
145.10114	21.1
146.14845	1.8
147.11684	12.6
149.09641	8.0
149.13242	27.3
150.10378	2.1
158.10898	19.5
161.09705	2.1
163.14774	4.2
173.13245	63.0
174.13521	2.0
191.06993	4.9
191.14299	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03933	4.8
55.01855	4.1
55.05515	9.9
56.96552	5.0
57.03418	5.4
57.07052	4.7
59.04994	1.8
65.03925	3.9
67.05502	18.5
68.99773	1.8
69.03422	14.8
69.07062	16.7
71.04974	6.6
72.93752	1.8
73.02891	2.8
77.03912	1.8
77.63362	1.4
79.05481	24.7
81.03400	3.9
81.07049	22.6
82.22260	1.6
83.04976	10.6
83.08604	8.5
85.02890	2.2
85.06525	4.4
89.03878	2.0
91.05470	41.1
93.06475	2.8
93.07034	34.6
94.06555	2.5
95.04941	15.2
95.08591	20.9
95.35111	1.6
97.02849	1.8
97.06509	10.2
102.04653	1.6
103.05467	18.1
105.03398	2.9
105.04445	2.2
105.07019	64.4
107.04934	11.1
107.08581	52.4
109.02843	3.3
109.06514	16.7
109.07627	3.8
109.10152	29.2
111.08059	2.7
115.05457	9.5
116.06226	2.0
116.98621	2.3
117.07005	49.5
118.04143	4.5
119.04925	5.8
119.06038	1.5
119.08578	41.7
120.05709	2.1
121.02839	6.8
121.06523	14.3
121.10130	31.8
123.04437	2.1
123.08051	11.7
123.11683	9.7
127.05434	7.2
128.06143	2.3
129.07001	11.2
130.04100	4.3
130.07785	5.7
131.04915	15.6
131.08551	80.8
132.05661	4.1
133.02859	4.3
133.06444	6.0
133.10114	99.7
135.04393	5.6
135.08038	39.4
135.11658	9.1
136.08708	3.5
137.05934	3.6
137.09459	1.9
143.08557	16.9
144.05702	1.8
144.09300	6.3
145.06464	30.2
145.07520	3.1
145.10110	41.5
146.05954	3.7
146.99631	2.0
147.04388	15.8
147.07976	5.2
147.11667	27.3
148.05173	11.3
148.08699	3.0
149.02310	8.3
149.05908	5.2
149.09604	15.5
149.13242	34.1
150.10266	2.7
155.04906	31.8
155.06004	2.5
155.08516	4.3
158.07254	2.0
158.10896	21.9
159.08032	7.0
160.05118	2.6
161.09624	5.2
161.13226	4.6
163.03839	8.5
163.07513	20.9
163.11183	7.9
163.14786	8.2
165.09119	2.2
167.03415	3.3
167.05623	1.6
171.11662	1.8
173.05959	83.6
173.09633	9.2
173.13242	76.2
174.06416	1.9
174.13655	2.0
176.04704	14.7
191.03348	16.0
191.06981	62.3
191.08786	3.6
191.10658	20.8
191.12981	3.6
191.14288	100.0
192.06505	3.5
192.10156	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	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
55.01851	3.5
55.05508	9.2
57.03440	2.3
57.07062	3.4
57.69854	1.4
58.36870	1.3
59.04977	1.8
64.14619	1.6
65.03921	2.9
67.05499	13.2
69.03434	8.5
69.07063	14.6
71.04973	6.0
71.13113	3.5
77.03941	1.8
79.05485	14.0
81.03426	2.1
81.07050	15.3
83.04958	5.2
83.08575	3.4
85.02890	2.3
85.06542	3.3
87.43778	1.3
91.05472	36.4
93.07030	23.6
93.97816	1.4
95.04955	8.2
95.08607	14.9
97.02888	2.9
97.06528	9.6
98.97580	2.4
99.08072	1.7
102.04623	1.5
103.05443	11.5
105.07024	61.2
106.06531	4.2
107.04955	7.2
107.08583	37.4
109.06515	16.6
109.10149	26.5
111.08057	3.0
115.05457	6.9
116.06181	2.0
117.07009	20.5
118.04168	3.0
118.06545	3.1
118.07793	2.2
119.04919	2.3
119.06113	1.5
119.08570	29.3
120.66589	1.3
121.06473	11.8
121.10134	22.7
123.04410	2.8
123.08073	8.9
123.11722	3.5
128.06192	1.4
129.07002	9.6
130.04149	2.0
130.07767	5.2
131.04915	13.9
131.08551	57.8
132.05688	1.8
133.02859	2.7
133.06474	6.3
133.10117	100.0
135.04398	4.1
135.08037	42.3
135.11668	5.8
135.60977	1.5
143.08534	11.0
144.09300	3.9
145.02951	1.9
145.06497	4.5
145.10109	35.3
147.04353	4.4
147.08054	4.2
147.11681	24.6
148.05186	7.2
148.08765	2.9
149.05901	2.1
149.09567	14.9
149.13249	16.2
150.10338	2.8
155.08475	2.5
158.10912	15.5
159.08008	3.8
160.05122	2.9
160.08878	1.4
161.05983	2.3
161.09622	4.5
163.03857	2.4
163.07574	9.7
163.11159	5.1
163.14810	4.3
173.05914	3.9
173.07155	3.8
173.09631	5.8
173.13245	55.7
174.13527	2.8
176.04637	6.9
176.11908	2.1
191.03346	7.4
191.06801	25.6
191.08302	6.1
191.10681	20.4
191.14294	83.1
192.06494	3.3
192.10130	2.6
197.01347	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.41328	1.5
53.03928	2.0
54.07084	1.5
55.05499	5.0
57.07057	2.5
65.03918	2.4
67.05497	14.6
69.03418	3.8
69.07059	11.9
69.97074	8.6
71.04990	11.8
71.27483	1.5
79.05486	10.6
81.07047	15.7
83.04969	3.0
83.08596	5.1
85.06526	4.2
91.05468	21.0
93.07033	14.9
95.04966	17.4
95.08609	16.6
97.06519	9.0
98.21452	2.4
99.95885	1.5
105.07026	37.1
107.05003	1.9
107.08584	35.1
109.06516	28.6
109.10153	51.4
115.05488	2.8
117.06992	8.6
119.08572	22.3
121.06491	6.1
121.09341	1.7
121.10141	22.4
123.08027	10.9
123.11683	2.8
129.06984	5.4
131.08559	58.5
133.06506	2.1
133.10123	100.0
135.08046	66.2
135.11682	2.9
140.21782	1.7
143.08548	6.4
145.10110	20.4
147.11674	11.3
149.09602	11.0
149.13242	24.7
150.10379	2.7
158.10921	15.6
161.09703	3.9
163.07521	2.4
163.11224	3.8
163.14778	4.1
173.13252	66.8
176.11916	2.5
177.07864	4.8
191.07086	4.1
191.14290	81.2
192.10175	7.7
192.14543	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01851	4.3
55.05494	5.3
55.47641	1.3
57.07063	1.3
65.03924	1.6
67.05498	20.9
69.03432	8.0
69.07066	9.4
69.93835	7.1
69.94226	2.5
71.04990	12.6
79.05485	15.0
81.07051	14.0
83.04990	2.9
83.08593	2.9
85.06544	2.9
86.57913	1.5
91.05470	18.5
93.07031	15.1
95.04967	15.2
95.08610	17.3
97.06509	4.5
102.01610	1.4
103.05451	5.4
105.07024	29.5
107.04928	3.8
107.08586	39.9
109.06510	38.7
109.10149	83.9
111.08081	2.4
113.37673	1.3
115.05463	3.2
116.06229	2.8
117.07011	9.6
119.08568	13.1
121.06528	6.3
121.10141	21.1
122.94750	1.4
123.08053	18.7
123.11713	1.5
129.06996	4.5
130.07800	2.0
131.04892	4.4
131.07584	2.6
131.08554	46.8
133.06473	4.2
133.10117	33.9
135.04425	1.8
135.08041	84.8
135.11679	4.4
136.08545	1.6
137.09587	1.7
143.08559	3.9
144.09303	2.2
145.10121	13.9
147.08041	3.8
147.11661	12.3
148.05148	1.5
148.08768	2.4
149.05745	1.5
149.09613	18.5
149.13226	10.6
150.10390	4.5
158.10896	11.7
161.09633	4.6
162.10362	1.5
163.03870	3.0
163.11168	2.3
163.14836	2.4
173.09619	2.2
173.13246	54.8
176.11949	3.3
191.03337	4.5
191.07086	6.6
191.08890	3.2
191.10667	4.7
191.14290	100.0
192.14674	2.3
205.37163	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
54.43262	1.0
55.01870	1.7
55.05502	5.7
55.48027	1.0
55.66058	1.1
57.03419	1.2
57.07049	2.3
64.12303	1.0
67.05499	9.5
69.03423	11.0
69.07059	11.7
69.93756	3.7
69.94172	3.4
79.05480	9.6
81.07042	15.6
83.04975	9.1
83.08607	4.3
91.05463	11.8
93.07034	14.9
95.04959	13.3
95.08591	17.5
97.06502	6.2
99.40263	1.4
103.05422	2.4
105.07018	13.9
107.04924	3.3
107.08586	37.7
109.06504	6.7
109.10123	4.1
111.08044	2.1
117.06969	3.4
118.04153	1.4
119.08584	8.0
121.06481	19.3
121.09317	2.3
121.10123	29.3
123.08016	5.8
129.07007	3.1
130.07745	1.3
131.08537	17.4
133.06459	2.7
133.10117	16.9
135.08037	15.9
135.11678	8.2
143.08519	4.6
145.06483	1.4
145.10089	8.9
147.08015	2.4
147.11667	16.9
148.05159	2.4
148.08777	4.8
149.09579	13.2
149.13232	11.6
157.54553	1.2
158.10922	7.0
161.09563	3.2
163.07495	4.3
163.14854	8.6
173.13266	25.3
173.14728	2.5
191.07005	5.0
191.08852	2.3
191.10652	4.8
191.14281	100.0
192.14696	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03950	1.2
55.01849	1.1
55.05508	4.7
57.03415	1.1
57.07063	1.8
59.04995	1.0
66.10374	0.6
67.05494	9.1
69.03420	5.2
69.06725	0.9
69.07062	11.2
70.56493	1.8
71.04606	0.6
71.04985	11.2
75.39535	0.6
77.03914	0.7
79.05476	11.0
81.07050	12.2
83.04953	2.7
83.08609	2.8
85.06544	7.3
91.05473	18.9
93.07033	22.9
95.04958	8.1
95.08596	16.9
97.06517	12.7
97.10147	0.6
102.04677	1.5
103.05450	7.0
105.03341	0.7
105.07018	29.6
107.04936	1.3
107.08585	35.2
109.06510	11.4
109.10143	12.0
111.08064	4.0
115.05450	2.4
115.68580	0.6
116.06221	1.4
117.06999	4.2
118.04154	2.5
119.04906	2.2
119.08567	15.2
120.05706	1.1
121.06482	4.4
121.10131	33.2
123.08053	6.0
123.11668	2.2
129.06964	2.3
130.04126	1.1
130.07755	1.0
131.04918	4.8
131.08551	24.9
131.09534	1.3
132.05684	2.2
133.02841	2.4
133.06448	2.1
133.10118	37.0
134.10468	0.7
135.08041	24.6
135.11659	5.5
137.09607	1.1
143.08516	4.9
144.09267	1.8
145.06494	0.8
145.10107	14.4
146.03619	0.9
147.04382	2.3
147.07986	1.4
147.11676	18.5
148.05168	5.3
148.08742	0.9
148.12129	0.7
149.05919	0.8
149.09599	9.0
149.13239	16.3
156.09348	0.6
158.10890	9.1
160.05135	0.7
161.09581	1.3
163.03899	0.9
163.07535	9.4
163.11125	1.3
163.14786	2.3
164.09595	0.7
171.11623	0.9
173.09717	1.2
173.13245	32.8
174.13541	0.9
176.04721	3.9
176.11961	1.2
191.03374	1.1
191.07034	18.0
191.08757	1.3
191.10657	6.8
191.14282	100.0
192.14612	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	5.8
57.07072	2.2
59.04988	2.7
61.13264	1.6
61.91300	1.8
63.18224	1.7
65.03902	1.9
67.05511	12.4
69.03416	4.3
69.07043	11.4
70.83960	4.0
71.04974	5.4
79.05482	13.0
81.07040	11.3
83.04981	3.6
83.08623	4.3
85.06532	4.7
89.17487	1.8
91.05466	23.4
93.07034	18.9
95.04957	11.7
95.08597	11.0
97.06512	10.1
103.05462	5.9
105.06298	2.7
105.07018	50.6
107.04988	2.6
107.08582	30.8
109.06504	22.5
109.10149	36.0
111.08067	2.6
112.32355	1.7
115.05419	4.2
116.06278	2.4
117.07069	8.6
119.08564	17.0
120.47894	1.8
121.06500	5.8
121.10126	18.1
123.08054	8.0
123.11676	4.3
129.07005	3.8
131.04890	5.2
131.08554	46.1
133.06473	2.5
133.10114	100.0
134.10435	2.3
135.08044	45.4
135.11642	2.6
143.08511	7.0
144.09296	4.3
145.06454	2.4
145.10114	21.1
146.05989	2.0
147.08047	3.1
147.11655	14.5
149.09607	10.7
149.13249	13.7
150.10330	2.5
158.10915	11.4
161.09576	3.4
162.05493	3.2
163.07550	4.0
163.11139	2.1
163.14801	2.3
173.13254	51.8
189.28506	1.9
191.03362	3.5
191.07019	6.8
191.10686	2.1
191.14302	70.3
191.16026	3.7
211.86037	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03933	2.0
53.74050	0.8
55.01876	1.3
55.05510	6.2
57.03424	1.7
57.07071	1.9
58.72383	0.8
59.04991	2.0
66.16982	1.0
67.05493	6.7
69.03422	4.6
69.07056	9.6
71.04967	3.8
71.48975	2.1
77.62577	0.8
79.05483	8.5
81.07045	10.8
83.04974	5.6
83.08597	4.8
85.06519	3.5
91.05473	21.6
93.07033	17.0
95.04968	5.5
95.05460	1.0
95.08605	12.6
97.06520	9.1
103.05435	4.9
105.07020	43.2
107.04926	3.7
107.07864	1.6
107.08582	27.6
108.63683	0.9
109.06519	8.2
109.10133	10.1
111.08054	1.9
115.05413	2.5
116.06259	1.2
117.07024	7.2
118.04124	2.0
119.04869	1.2
119.08575	16.2
121.06490	7.2
121.10139	15.3
123.08063	4.8
123.11674	2.3
129.06967	4.3
130.07741	1.8
131.04897	3.1
131.08556	43.1
132.05736	1.7
133.10118	100.0
134.10431	1.3
135.04410	1.0
135.08043	17.5
135.11658	3.9
143.08556	5.2
144.09305	3.0
145.06476	1.5
145.10098	18.6
147.04335	1.0
147.07985	3.2
147.10522	1.2
147.11667	14.0
148.05161	3.0
148.08694	1.2
149.09575	7.7
149.13249	12.4
157.56683	0.9
158.10887	12.3
159.04417	1.2
159.08040	2.8
160.05164	1.5
161.09570	1.4
162.05510	1.2
163.07545	7.4
163.11136	3.5
163.14809	4.5
171.11613	1.4
173.13252	47.5
174.13539	1.3
176.04648	1.7
176.11922	2.1
180.60522	1.0
191.03432	2.2
191.07074	11.5
191.08917	3.4
191.10593	8.0
191.14288	59.2
192.14630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.9
55.01855	1.1
55.05305	0.7
55.05504	8.0
57.03418	2.5
57.07046	3.4
65.03909	1.7
67.05500	8.1
69.03421	24.5
69.07063	9.5
69.31831	3.2
69.32264	4.8
71.04971	1.6
79.05057	1.3
79.05488	15.7
81.03387	1.6
81.06587	1.3
81.07053	24.3
83.04980	5.7
83.08600	4.2
85.06515	1.7
86.20339	0.7
91.05472	13.7
92.05743	1.0
93.07031	14.5
95.04941	4.1
95.08592	11.1
97.06528	3.9
98.21500	1.7
103.05460	6.1
104.39320	0.8
105.07025	23.6
107.04941	6.7
107.08583	37.0
109.06501	5.0
109.09444	1.3
109.10141	13.5
115.05419	2.1
116.06233	0.9
117.07034	5.3
118.04119	1.8
119.08566	10.6
120.05660	1.0
120.98380	0.9
121.06488	5.9
121.10126	27.5
122.07256	1.7
123.08074	4.9
123.11695	21.2
128.06166	0.9
129.06990	2.3
130.07712	1.1
131.04892	3.7
131.08563	18.4
132.05707	1.0
133.10117	100.0
134.10434	1.6
135.08025	11.3
135.11676	6.8
137.09607	12.1
143.08557	5.4
144.09319	2.2
145.06461	1.1
145.10097	11.9
147.04352	1.0
147.08000	1.1
147.11659	6.4
148.05226	4.3
149.05939	1.3
149.09613	6.8
149.13242	16.8
158.10910	8.9
161.09659	1.6
163.03845	1.2
163.07523	6.5
163.11252	1.3
163.14789	8.8
164.44936	0.7
171.11655	0.9
173.09671	1.9
173.13252	34.3
176.04681	2.4
191.03389	1.4
191.06995	9.8
191.08884	3.2
191.10548	4.3
191.14287	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0653
Annotation	SCHEMBL115205
Peak:m/z	Relative Intensity
56.05016	0.6
56.96574	0.9
59.06119	1.4
65.03931	0.8
65.83799	0.6
68.04988	0.7
69.03407	1.3
71.52541	0.6
72.93790	2.0
78.84019	0.6
79.05491	2.8
87.00819	2.3
89.96377	0.7
90.94830	1.1
91.05453	4.3
92.19234	0.7
93.07053	1.4
95.04957	1.4
97.02897	1.0
103.05449	1.4
104.04993	0.9
105.07018	3.6
106.06542	7.9
106.07240	1.0
107.04944	1.2
107.08574	0.6
108.08878	0.9
109.02859	1.1
109.06481	1.3
110.06034	0.9
118.04202	0.8
118.06534	20.7
119.01885	0.6
119.04922	1.5
119.08577	1.2
122.03625	0.7
122.05995	1.3
131.04999	0.8
132.04442	100.0
132.08891	1.2
132.95831	3.1
133.02873	3.4
133.04813	1.3
133.06453	3.0
134.10493	1.4
137.05969	2.7
146.05960	4.7
147.04407	4.6
148.07539	1.5
149.05934	1.2
150.03204	1.0
150.05441	1.0
150.96872	9.1
151.07518	1.6
160.05093	2.3
161.05977	2.6
162.05635	1.0
162.06764	9.2
163.04323	0.6
163.05812	0.8
164.07047	6.3
165.05469	1.3
165.09091	2.1
168.97957	0.9
174.05495	21.5
174.13638	0.8
177.04031	0.8
177.07840	2.4
178.02583	1.9
179.02458	0.7
191.97070	1.2
192.06528	42.5
192.10054	3.6
192.13991	2.4
192.17445	5.1
193.04959	8.0
193.06612	1.3
193.08559	4.2
209.98151	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0495
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
53.53707	0.3
55.01879	0.3
64.21375	0.2
71.48593	0.5
77.03925	0.6
79.05499	1.3
81.03412	0.4
89.03912	1.1
91.05479	0.8
93.07044	0.3
94.04183	1.2
95.04981	0.5
101.99632	0.2
103.05457	1.3
105.03377	1.2
105.04503	0.3
105.07021	8.5
106.04169	0.3
107.04925	0.4
107.08623	0.3
107.72738	0.3
109.06458	0.3
115.05462	1.7
117.03344	0.3
118.04150	0.6
122.02843	0.5
122.03649	4.8
131.04846	0.3
133.02843	41.7
133.06474	7.2
134.03616	0.4
135.11653	0.5
137.05965	10.7
143.05978	0.5
149.05968	3.2
150.03104	3.5
161.02339	0.9
161.05966	7.0
165.05472	4.4
178.02600	22.6
179.02849	0.4
191.01001	0.3
193.04948	100.0
193.92245	0.3
194.05310	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01856	0.7
63.02372	0.2
66.04736	0.3
71.48723	0.4
77.03923	0.7
78.04717	0.2
79.05475	2.2
81.93224	0.2
89.03898	1.1
90.04707	0.3
91.05452	1.4
94.04186	0.7
95.04946	0.7
103.05450	2.2
105.03386	1.2
105.04496	0.3
105.07017	15.6
106.07362	0.2
107.04935	0.4
107.08603	0.5
115.05432	3.6
117.03352	0.6
118.04151	1.8
119.04962	0.2
122.03632	4.3
131.04903	0.5
132.05684	0.3
133.02835	39.5
133.06471	15.0
134.03215	0.7
135.04391	0.3
135.11674	0.7
137.05957	10.8
138.06288	0.3
143.04959	0.4
143.06017	0.9
147.04410	0.2
149.05956	3.2
150.03114	3.7
161.02357	0.6
161.05960	16.3
162.06483	0.3
165.05460	4.5
178.02588	22.7
179.02827	0.3
193.04936	100.0
194.05286	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	3,4,-Dihydro-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03938	1.5
54.44488	0.7
55.01868	7.7
57.18435	0.8
61.65731	0.8
67.05496	1.6
70.97334	2.7
72.00886	0.8
78.04702	1.3
79.05493	11.7
81.03421	1.4
81.07055	2.0
90.04720	1.1
91.05470	10.7
92.06242	1.8
93.07040	1.7
95.04953	3.0
95.08605	2.1
103.05461	11.0
104.06228	2.4
105.03423	1.8
105.04528	0.9
105.07025	25.7
105.95308	0.8
106.07381	0.8
107.04942	9.3
107.08637	1.1
108.05710	0.9
109.06523	1.0
115.05449	2.9
118.04173	6.7
119.04955	8.8
119.08545	1.0
120.05738	4.6
121.06506	12.9
122.03623	1.1
122.07279	9.2
123.08034	1.0
131.04884	2.3
132.05714	7.0
133.02838	3.4
133.06485	28.8
133.10202	1.1
134.07307	8.0
135.04419	8.1
135.08046	8.1
136.05138	1.0
137.05974	1.7
137.09605	2.3
147.04405	19.6
148.05215	4.7
149.05984	12.9
150.06758	41.3
151.07539	14.7
154.36554	0.9
160.05260	1.5
161.05986	16.0
162.06757	55.3
162.93225	0.8
163.03935	1.8
163.07533	17.0
164.08186	1.5
165.09103	100.0
166.09465	1.9
175.07516	2.6
178.02600	1.0
178.06216	5.3
178.92403	0.9
182.64925	0.9
193.04990	4.8
193.06822	1.9
193.08603	38.4
193.15877	1.2
194.08922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	3,4,-Dihydro-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03934	1.4
55.01866	7.5
67.05486	1.6
70.82025	2.0
79.05486	12.6
81.07034	2.0
91.05477	10.4
92.06247	2.2
93.07031	1.6
95.04939	4.4
95.08566	1.4
103.05453	11.9
104.06209	3.0
105.03375	2.5
105.07024	20.6
107.04945	11.2
109.06429	1.4
118.04148	7.0
119.04919	10.0
120.05732	5.9
121.06496	11.2
122.07278	10.4
130.04135	1.3
131.04910	4.4
132.05688	6.6
133.02802	3.4
133.06483	22.4
133.07484	0.8
134.07260	7.5
135.04407	7.1
135.08046	6.6
137.05966	2.3
137.09619	1.1
147.04384	18.2
148.05159	7.7
149.05960	14.4
150.06740	39.3
151.07544	13.4
160.05147	2.5
161.05968	13.3
162.06741	49.8
163.03943	1.5
163.07530	19.2
165.09091	100.0
166.09448	2.1
175.07523	3.9
178.06200	6.4
193.04907	3.0
193.08578	37.9
194.09094	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	3,4-Dimethoxycinnamaldehyde
Peak:m/z	Relative Intensity
52.20932	0.9
53.03944	1.1
55.01868	16.7
57.71840	0.8
66.35259	0.8
67.94659	0.9
71.47381	2.0
79.05485	11.4
82.05027	0.9
90.04666	1.4
91.05460	6.6
93.07033	1.1
95.04955	2.0
98.97076	1.0
103.05460	10.6
104.06232	2.5
105.07018	21.6
107.04945	8.7
109.06498	1.6
115.05450	1.9
118.04179	5.6
119.04942	5.0
120.05704	4.1
121.06501	7.8
122.03635	1.4
122.07277	2.0
131.04936	4.7
132.05698	4.1
133.02841	1.5
133.06477	20.1
134.07263	11.6
135.04387	11.2
135.08052	9.5
137.05978	3.5
147.04401	17.3
149.04878	0.9
149.05980	5.0
150.06750	40.3
151.07532	30.9
158.45889	0.9
160.05153	2.9
161.05969	10.5
162.06747	47.1
163.03894	1.4
163.07414	3.5
164.04546	1.3
165.09099	89.3
166.09425	1.3
175.07559	5.3
177.05461	1.1
178.02611	1.3
178.06259	5.8
178.08656	2.1
179.07024	1.6
193.04953	3.8
193.08595	100.0
194.09033	3.2
194.11786	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	193.0858
Annotation	3,4-Dimethoxycinnamaldehyde
Peak:m/z	Relative Intensity
53.03935	1.5
55.01628	1.0
55.01867	13.8
71.19874	1.4
71.20197	1.3
77.03923	1.0
78.04699	0.9
78.68061	0.8
79.05476	11.2
89.05225	0.7
91.05462	9.3
92.06225	2.1
93.07034	1.5
95.04948	3.4
102.04682	1.4
103.05453	10.5
104.06263	2.0
105.03383	2.2
105.07024	21.0
105.31990	1.0
107.04944	9.2
107.08568	1.6
109.06519	1.1
112.73325	0.9
115.05438	2.0
118.04142	6.1
119.04924	7.6
119.08553	1.6
120.05727	5.5
121.06509	12.8
122.03589	1.3
122.07267	8.4
123.04420	1.2
130.04132	1.1
131.04893	3.4
132.05731	5.1
133.02840	3.7
133.06485	23.6
133.07462	0.8
134.07269	8.0
135.04411	8.3
135.08063	8.6
136.05203	1.4
137.05956	2.7
137.09647	1.3
138.06743	3.3
147.04391	21.1
147.11731	1.1
148.05183	5.4
149.05980	13.6
150.06746	41.0
151.07541	26.8
160.05183	2.6
161.05984	14.4
162.06741	56.8
163.03896	2.2
163.07529	18.1
164.08311	1.0
165.09100	100.0
166.09596	2.7
175.07524	6.3
178.02722	0.9
178.06265	5.6
193.04962	5.4
193.08591	44.1
194.09102	1.8
198.52057	0.8
211.50092	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	3,4,-Dihydro-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03952	1.5
55.01860	8.9
55.05501	1.5
55.66975	1.0
64.58179	1.1
65.03931	1.5
67.05494	2.7
69.50648	5.7
69.51067	3.5
77.03949	1.4
79.05484	14.4
80.05810	1.3
81.07036	3.2
83.04940	1.2
89.99997	1.1
90.04670	2.0
91.05472	12.0
92.06256	1.8
93.07007	3.4
95.04957	3.9
95.08598	4.0
99.08096	2.4
101.21967	1.1
103.05473	12.5
104.06230	3.6
105.03391	2.7
105.06313	2.0
105.07022	37.2
107.04951	9.7
107.08578	4.5
109.06531	2.9
109.10143	4.6
111.34829	1.1
115.05463	6.4
117.75340	1.2
118.04166	6.8
119.04954	7.1
119.08559	3.5
120.05695	6.3
121.06491	11.5
121.10110	2.4
122.07323	9.7
123.08072	2.8
131.04912	3.9
132.05673	4.3
133.02850	4.2
133.06480	33.6
133.10147	3.6
134.07281	6.9
135.04424	4.8
135.08009	6.4
135.11653	1.8
136.05215	1.6
137.05959	1.8
137.09587	3.2
143.05989	1.8
147.04395	20.7
147.11732	1.5
148.05171	3.7
149.05948	13.0
150.06746	42.1
150.07921	2.6
151.07526	14.3
153.23891	1.1
160.05182	2.8
161.05956	20.3
162.06754	56.7
163.03801	1.7
163.07542	18.1
164.08318	1.7
165.09100	100.0
166.09409	1.6
175.07495	3.5
175.14806	2.0
178.02676	2.7
178.06297	7.5
178.07697	1.2
193.04945	6.8
193.08604	46.2
193.10283	1.9
193.12218	1.6
193.15881	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	193.0857
Annotation	3,4-Dimethoxycinnamaldehyde
Peak:m/z	Relative Intensity
53.03931	1.6
55.01867	100.0
56.67003	1.0
66.04716	1.2
69.03395	2.0
70.07268	5.1
79.05489	7.5
81.07035	1.6
91.05456	4.3
93.07021	1.7
95.04958	2.9
102.04674	1.4
103.05460	13.2
104.06248	2.5
105.07029	7.8
107.04936	4.2
109.06509	1.9
115.05428	3.1
118.04119	8.7
119.04906	3.5
121.06476	4.6
122.03629	4.6
123.04450	2.2
124.05196	1.2
130.04134	2.5
131.04927	13.9
132.05690	13.0
133.06483	26.5
134.07254	2.4
135.04393	8.8
135.08018	1.5
137.05954	13.9
146.03607	2.4
147.04399	10.6
148.05064	2.0
149.05939	8.2
150.06760	8.5
151.03777	1.1
151.07481	3.7
157.24582	1.1
160.05185	19.3
161.05957	42.1
162.06732	19.9
163.03835	1.3
163.07526	1.4
165.05470	3.6
165.09132	6.7
175.07515	33.7
177.05415	3.6
178.06207	4.4
193.04958	3.3
193.08574	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	3,4,-Dihydro-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03918	1.3
53.76658	0.6
55.01869	14.0
55.02128	0.6
55.05481	1.1
56.00985	0.7
65.03918	1.0
66.04689	1.1
67.05491	1.5
69.71120	4.2
77.03896	0.6
78.04677	1.4
78.21617	0.6
79.05482	17.1
81.03392	0.7
81.07020	2.6
89.03869	1.0
90.04681	1.1
91.05474	13.3
92.06233	2.3
93.07021	2.7
95.04957	3.4
95.08617	2.9
102.04672	1.1
102.27775	0.6
103.05460	14.4
104.06239	3.2
105.03361	2.8
105.07020	39.2
107.04944	10.6
107.08559	1.8
108.05734	1.3
109.06457	1.9
109.10120	1.9
115.05444	6.2
117.03281	0.8
118.04143	8.8
119.04239	0.6
119.04948	8.3
119.08556	2.9
119.54002	0.6
120.05740	5.6
121.06488	12.9
122.03600	1.5
122.07289	11.4
123.04422	1.3
123.08028	1.9
125.06015	0.9
130.04132	1.1
131.04912	4.1
132.05679	7.7
133.02859	5.6
133.06479	39.1
133.10095	2.8
134.07271	10.3
135.04401	8.0
135.08047	7.4
135.11690	1.1
136.05179	2.5
137.05978	3.5
137.09566	2.2
138.06712	1.8
139.07588	0.7
143.06021	1.4
147.04393	20.7
147.07976	0.9
148.05190	6.6
149.05978	15.8
150.06746	39.6
151.07532	22.3
160.05162	2.0
160.66240	0.7
161.05962	28.0
162.06741	53.7
163.03885	2.5
163.07523	21.6
164.08275	1.5
165.05418	1.9
165.09096	100.0
166.09456	2.5
175.07558	5.3
175.11116	0.8
175.14824	2.4
177.05486	1.2
178.02603	2.3
178.06227	7.2
192.05937	0.6
193.04947	7.1
193.08592	43.2
193.12210	2.9
193.15910	2.0
194.08911	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	3,4,-Dihydro-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03928	1.5
55.01868	7.9
55.34156	0.7
66.91077	0.7
67.05497	0.9
70.68154	1.8
77.03891	0.8
78.56360	0.9
79.05488	11.9
81.03397	1.2
81.07041	2.1
89.03847	0.8
90.04695	1.3
91.05478	9.5
92.06242	1.5
93.07040	1.8
95.04937	2.3
95.08573	2.0
100.80865	0.8
103.05464	9.8
104.06219	2.5
105.03390	1.3
105.07024	31.1
107.04420	0.7
107.04968	7.6
107.08592	1.6
109.06483	1.2
109.10154	1.0
115.05428	3.4
118.04182	5.1
119.04957	6.1
119.08549	1.3
119.90504	0.9
120.05737	4.1
121.06518	10.0
122.03619	1.4
122.07288	11.0
131.04875	2.5
132.05704	5.5
133.02831	3.0
133.06482	29.7
133.10052	2.2
134.07262	7.0
135.04396	6.4
135.08058	6.9
136.05194	1.9
137.05951	2.4
137.09612	2.0
147.04395	18.2
148.05197	5.9
149.05962	13.6
150.06750	42.1
151.07532	14.8
160.05208	1.0
161.05965	13.7
162.06747	54.5
163.03854	2.4
163.07545	16.6
164.08217	1.3
165.09102	100.0
166.09436	2.2
175.07568	2.7
175.14828	1.3
177.05533	0.9
178.02647	1.3
178.06276	5.1
193.04922	3.7
193.08583	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03928	1.4
54.21852	0.7
54.60329	0.7
55.01868	40.0
55.05492	2.2
57.03424	1.3
57.07061	0.9
60.83710	0.7
65.03936	1.4
67.05485	2.9
69.03402	2.1
69.07048	3.1
70.68810	1.4
70.69176	1.6
71.04966	1.5
77.03923	1.5
78.04686	0.7
79.05058	1.3
79.05481	12.6
80.81725	0.7
81.03400	1.9
81.07047	4.8
83.04932	1.0
90.04675	1.7
91.05464	12.0
92.83586	0.6
93.07040	4.8
94.04163	1.1
94.69203	0.7
95.04951	7.0
95.08591	5.4
97.02864	3.9
97.06506	1.3
99.08102	1.0
99.71780	0.9
101.84719	0.7
103.05453	14.6
104.06252	6.8
105.03375	1.4
105.07021	75.5
106.07374	1.3
107.04942	6.1
107.08580	5.1
109.06493	3.1
109.10159	5.6
109.93653	0.7
111.04405	0.9
111.08063	1.0
111.11674	0.8
115.05443	17.0
115.06256	0.9
117.07006	1.3
118.04145	15.7
119.04916	2.5
119.08556	8.1
120.05676	1.5
121.02853	0.9
121.06488	3.6
121.10141	3.0
122.03633	2.6
123.04418	3.7
123.08054	2.2
123.11726	1.2
124.05175	0.9
130.04114	1.5
131.04918	9.0
132.05713	10.6
133.02853	5.4
133.06479	84.9
133.10092	8.9
134.07285	1.4
135.04408	6.1
135.08026	3.1
135.11671	3.9
136.05058	0.8
137.05942	7.3
137.09621	3.6
138.06741	11.5
143.04904	1.9
143.06021	4.7
147.04395	16.7
147.08029	1.4
147.11658	2.7
148.05135	1.3
149.05977	7.5
149.13254	1.8
150.03119	1.5
150.06746	10.9
151.03917	0.8
151.07524	24.7
160.05148	9.5
160.06372	1.0
161.05966	60.3
162.06746	32.3
162.08742	1.1
163.03824	1.9
163.07451	3.2
165.05402	3.4
165.09077	16.3
165.12758	1.1
166.09874	2.7
174.86488	0.7
175.07544	13.2
175.11116	0.9
175.14801	9.5
177.05443	2.3
178.02594	2.2
178.06245	7.4
193.04947	13.5
193.08588	100.0
193.12302	2.5
193.15891	6.9
194.08910	2.4
194.11842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	3,4-Dimethoxycinnamaldehyde
Peak:m/z	Relative Intensity
53.03935	1.7
55.01865	20.2
64.51429	0.9
65.03925	1.2
70.06242	3.0
70.06654	1.4
74.08718	1.1
79.05488	12.5
81.07019	1.3
90.01271	0.9
90.04672	1.2
91.05466	11.7
92.06225	1.2
93.07040	1.0
95.04933	3.1
103.05456	13.4
104.06248	1.9
104.46087	0.8
105.03356	2.3
105.07017	23.8
106.01743	1.0
107.04943	9.2
107.08556	1.2
109.06445	0.9
111.04395	1.1
111.70729	1.0
115.05442	3.1
117.05984	1.0
118.04156	7.6
119.04932	8.4
120.05717	5.1
121.06498	11.4
122.07291	9.3
123.08067	1.9
128.64789	1.2
131.04955	5.0
132.05719	5.9
133.02826	2.6
133.06476	29.8
134.07272	6.9
135.04375	8.5
135.08034	7.7
136.05237	1.1
137.05966	4.1
137.09621	2.7
147.04393	21.4
148.05188	4.9
149.02377	1.6
149.05952	13.5
150.06744	41.7
151.07535	18.4
160.05164	3.9
161.05971	19.8
162.06741	56.9
163.03867	2.0
163.07512	20.0
165.09096	100.0
166.09407	2.7
172.79166	1.1
175.07538	7.8
175.14742	1.0
177.05431	1.0
178.02675	1.0
178.06310	7.4
179.07089	1.2
193.04971	7.1
193.08586	51.2
193.15845	1.7
194.09113	1.7
205.16924	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03943	3.9
55.01868	10.5
55.05509	10.9
57.03426	1.7
57.07063	6.4
65.03902	1.9
67.05501	15.0
69.03429	2.1
69.07059	22.4
70.47680	6.3
71.04980	5.2
79.05489	16.1
81.03403	2.4
81.07047	22.0
83.04970	2.7
83.08601	9.5
85.06542	5.8
91.05471	20.5
93.07043	29.5
95.04961	8.0
95.08599	40.8
97.06524	6.4
97.10194	1.7
99.08071	4.1
101.53787	1.6
103.05444	6.2
105.07029	60.9
106.07337	2.1
106.98293	1.7
107.08595	34.1
109.06503	14.4
109.10149	29.9
111.08058	4.3
115.05428	5.1
117.07008	3.5
117.09126	1.6
118.04162	3.4
119.08574	69.8
120.08860	1.6
121.06575	2.2
121.10130	14.8
122.03609	2.2
123.08059	19.8
123.11691	6.7
129.07019	2.6
131.04903	4.6
131.08549	5.8
133.02856	8.6
133.06491	24.9
133.10120	100.0
135.04416	1.8
135.07912	3.2
135.11678	48.2
137.05995	5.6
137.09598	19.6
145.10115	4.4
147.04390	6.3
147.08047	8.0
147.11694	16.0
149.02341	2.3
149.05957	1.6
149.13284	8.5
150.06741	7.1
151.07520	2.6
151.11212	4.1
151.14832	3.7
160.12398	3.4
161.05975	24.0
162.06772	10.4
165.01738	2.2
165.05502	2.4
165.09114	15.8
165.12718	3.0
175.07562	5.0
175.11324	2.9
175.14815	91.3
176.15216	2.2
178.02652	5.6
178.06212	2.7
193.04970	24.6
193.08607	21.7
193.10378	3.4
193.12239	5.1
193.15874	48.6
201.49727	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02352	0.9
53.03938	3.0
55.01631	1.0
55.01869	13.8
55.05505	48.4
57.03419	1.9
57.07060	3.9
57.28596	0.9
59.04982	2.9
63.86554	1.0
65.03921	1.9
67.05499	29.3
69.03403	3.8
69.07060	24.1
70.17024	3.6
70.17404	1.6
71.04979	4.7
79.05484	24.9
81.03409	1.5
81.07046	59.3
83.04971	100.0
83.08605	5.2
85.06525	6.8
91.05473	13.6
93.07034	23.4
95.04960	9.6
95.08595	34.0
97.02850	1.1
97.06524	6.2
97.10126	1.3
99.08076	5.6
103.05453	6.5
105.03367	1.3
105.07021	40.2
106.07361	1.4
107.04910	1.8
107.07870	1.8
107.08580	28.7
109.06504	16.3
109.10146	45.0
111.08045	6.6
111.11709	2.5
115.05459	5.2
117.07014	2.6
118.04130	4.0
119.08562	25.5
121.06465	2.3
121.10129	10.2
122.07219	1.1
123.08041	13.5
123.11698	8.2
125.09622	3.4
131.04915	3.0
131.08548	1.4
132.05664	2.4
133.02838	7.4
133.06474	23.6
133.10107	32.4
134.07014	0.9
135.04416	1.7
135.08044	1.3
135.10690	2.1
135.11676	29.2
137.05945	4.5
137.09602	24.6
143.04944	1.2
143.05963	1.7
146.07266	1.1
147.04338	2.6
147.08025	2.1
147.11705	6.0
149.02319	1.0
149.05922	2.0
149.13229	4.3
150.06747	3.1
151.07500	3.1
151.11177	5.3
151.14835	1.4
160.05138	2.5
161.05980	21.0
161.07300	1.9
162.06740	7.0
165.05453	3.4
165.09102	7.3
165.34967	1.2
175.07478	3.6
175.11238	1.9
175.14816	26.0
176.15164	1.5
178.02554	4.9
193.04947	41.7
193.08592	16.7
193.10376	2.1
193.12199	3.7
193.15860	35.3
194.05161	1.0
194.11787	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	193.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21346	1.4
52.60924	1.5
53.03927	3.3
54.58156	1.5
55.01869	7.6
55.05507	55.1
57.03421	3.2
57.07055	3.5
57.46310	1.4
59.04968	2.5
65.03913	2.1
67.01850	3.3
67.05495	27.0
69.03416	4.2
69.06715	2.4
69.07059	26.4
70.78033	3.9
71.04987	4.2
72.88022	1.5
74.51135	1.9
79.05486	25.3
81.07045	54.4
81.56696	1.5
83.04974	100.0
83.08585	5.2
85.06513	4.5
86.00874	1.7
88.37165	1.5
91.05483	11.9
93.07030	19.4
95.04964	9.2
95.08601	29.8
96.08894	1.5
97.06499	5.9
99.08053	5.1
103.05436	5.7
105.07020	48.3
107.04949	1.9
107.08577	28.9
109.06501	15.8
109.09464	2.7
109.10146	37.0
111.08040	6.1
111.11726	3.3
115.05448	9.4
118.04147	4.8
119.04957	2.6
119.08569	30.4
121.10144	9.7
123.08054	15.9
123.11686	5.4
125.09624	2.5
128.58183	1.8
131.04915	1.9
132.05617	1.5
133.02838	5.4
133.06483	30.8
133.10120	33.1
135.07993	1.6
135.11682	32.3
137.05948	4.3
137.09604	19.5
143.05978	2.0
147.04359	2.9
147.11652	5.5
149.13242	6.3
151.07455	2.7
151.11205	2.8
151.14786	2.2
153.01836	3.2
161.05971	27.8
162.06685	4.5
165.05467	3.6
165.09097	4.7
175.07503	4.4
175.11073	2.3
175.14835	24.8
176.03233	1.4
178.02599	4.6
193.04944	94.4
193.08600	15.5
193.10538	4.5
193.12196	3.7
193.15872	36.8
194.05284	3.7
194.11685	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01854	3.2
56.05023	1.8
57.03433	4.8
62.22541	0.7
65.03944	1.1
67.05490	2.2
70.04845	0.7
70.69386	0.7
70.69724	2.2
77.03911	0.9
79.05486	10.1
80.04494	0.7
80.05824	0.8
80.06264	1.9
81.07040	1.2
85.02901	0.9
91.05473	40.1
93.03374	1.6
93.07048	3.6
95.04951	3.9
95.08607	1.2
102.04696	3.7
103.05455	22.7
104.06275	1.5
105.03380	1.8
105.06302	1.4
105.07020	27.1
106.07326	1.8
107.04928	4.3
108.05769	3.8
108.88099	0.7
109.06523	2.5
115.05440	6.3
116.06231	11.5
117.07006	3.1
118.04128	2.3
119.04929	48.6
120.05751	1.4
121.06500	9.6
122.15511	0.7
123.04416	9.4
123.08058	8.1
124.05197	1.2
128.97330	0.8
130.04134	1.7
131.04919	37.9
132.05655	3.1
133.02841	6.9
133.06476	28.5
134.07318	7.6
135.04364	1.6
135.08052	9.1
136.05162	2.3
137.05974	5.6
138.06752	4.1
139.07547	1.1
143.04932	0.9
144.05670	1.8
145.06483	1.2
146.07239	6.0
147.04388	27.0
147.06801	2.0
147.08052	2.1
148.04771	2.7
148.07571	1.3
149.05949	2.8
149.09567	0.8
150.06697	1.3
151.07532	58.4
152.04720	0.9
152.07895	1.8
153.09143	1.1
161.05989	8.1
161.08339	1.1
162.06772	8.3
162.09119	3.1
163.07529	26.3
163.09859	1.6
164.07011	1.9
164.08247	2.0
165.05479	5.8
165.09087	2.0
166.09450	9.6
167.07053	4.0
167.08234	0.7
176.03302	0.9
177.09113	8.1
178.08563	1.0
179.07011	57.3
179.09248	3.7
180.07518	1.6
194.09364	100.0
194.11731	13.1
194.15202	1.4
195.06483	3.2
195.08215	0.7
195.09837	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	194.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23702	0.6
53.03919	1.3
55.01876	3.3
56.02178	0.7
57.03434	5.2
62.97157	0.5
65.03929	1.2
67.05479	2.0
70.72718	1.9
77.03919	0.8
78.04671	1.0
79.05490	6.2
80.06251	1.2
85.02892	1.2
91.05470	36.0
92.05833	1.0
93.07071	2.9
95.04973	3.2
102.04685	4.0
103.05458	17.2
104.06280	1.2
105.03390	2.1
105.07018	22.6
106.07362	1.2
107.04922	3.5
108.05740	3.7
109.06493	1.2
115.05437	5.0
116.06236	10.5
117.03294	0.6
117.07014	1.7
118.04147	1.9
119.04932	43.7
121.06496	6.3
123.04414	6.4
123.08064	7.0
130.04146	1.9
131.04919	32.0
132.05768	3.2
133.02849	6.6
133.06487	25.1
133.07436	0.6
134.07288	9.4
135.04390	1.9
135.08052	6.0
136.05241	2.9
137.05963	3.8
138.06743	2.7
139.07526	0.7
143.04878	1.1
144.05702	2.0
145.06479	1.2
146.07259	3.7
147.04401	23.5
147.06793	1.4
147.08029	1.7
148.04762	1.3
148.07605	0.7
149.05966	2.2
151.07530	54.1
152.07906	1.8
160.07654	0.7
161.05978	7.6
162.06735	4.3
162.09106	1.0
163.07535	24.1
164.08212	1.1
165.05482	4.0
165.09102	1.3
166.09529	4.8
167.06972	3.3
177.05540	0.9
177.09068	6.3
178.42688	0.6
179.07016	56.7
179.09517	2.2
180.07433	1.8
193.08633	2.6
194.09369	100.0
194.11682	6.9
195.06506	2.1
195.09749	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	194.1174
Annotation	Heliamine
Peak:m/z	Relative Intensity
50.78725	0.4
51.02843	0.4
53.03942	0.8
55.01867	1.1
56.96545	0.5
57.03438	0.5
67.05499	0.9
69.03424	0.8
69.07070	0.5
71.52122	0.6
79.05485	2.5
80.05809	0.5
81.07066	1.0
89.03913	1.2
91.05461	8.1
92.05795	0.5
93.03372	0.5
93.07028	1.2
95.04949	1.8
95.06113	0.4
95.08588	0.4
97.06506	0.5
97.27404	0.4
98.97543	0.8
103.05461	2.1
105.07025	3.6
106.06680	0.4
106.07348	1.7
107.04947	2.0
107.08562	1.0
108.04470	0.5
109.06488	0.6
110.06066	0.5
115.05438	11.0
116.34742	0.4
117.03365	2.2
117.07000	57.5
118.07348	1.0
119.04963	2.3
119.08525	2.4
120.08118	0.7
121.06471	2.9
121.10065	0.6
123.04487	0.7
127.05428	1.2
131.04869	1.2
133.02809	0.5
133.05212	0.6
133.06471	0.8
134.03191	1.5
134.05923	1.0
134.06854	2.2
134.09625	2.0
134.76633	0.4
135.04427	1.4
135.08067	2.4
135.11700	0.6
137.05978	1.2
138.06502	0.9
138.09108	0.5
144.08092	0.5
145.02794	4.2
145.06465	43.6
146.07179	1.4
147.04408	1.1
148.03767	0.5
148.07532	1.0
148.11165	0.5
148.97346	0.5
149.05984	2.9
149.09555	1.3
151.03867	0.8
151.07524	7.8
151.75856	0.5
152.07025	1.1
153.09027	0.5
155.06029	1.7
155.40724	0.5
161.05872	0.5
162.06683	3.5
162.09100	2.7
163.03879	1.0
163.07285	1.0
165.07849	0.8
176.03401	1.5
176.06824	0.6
176.10812	0.5
176.14635	0.4
177.05667	5.1
177.09082	100.0
178.09381	2.0
179.02992	1.3
194.05396	5.0
194.07834	2.7
194.11737	65.1
194.15317	4.0
195.02908	1.6
195.06493	3.8
195.10207	0.6
195.12076	0.9
213.47372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1175
Annotation	Heliamine
Peak:m/z	Relative Intensity
55.01867	0.7
56.05033	10.2
57.03416	0.8
57.05798	1.6
60.87336	0.5
62.28340	0.6
69.80177	3.2
78.04674	0.6
79.05495	1.7
81.07047	1.1
89.03901	5.1
91.05476	7.0
93.07019	1.1
95.04951	2.1
98.97561	1.0
103.05456	3.2
105.07007	4.0
106.04163	1.2
106.07368	1.1
107.04941	4.0
109.06498	1.4
115.05455	2.9
116.06248	0.7
117.03368	8.6
117.06998	6.3
117.85257	0.5
118.06486	1.8
119.04936	1.6
119.07288	1.1
119.08547	0.8
120.08064	0.7
121.06489	16.7
123.04401	3.6
124.05196	2.8
130.06499	1.1
131.04913	6.3
131.07297	5.2
132.04366	0.7
132.08060	1.8
133.02802	0.7
133.06470	3.2
133.08850	0.7
134.03607	1.3
134.06903	1.8
135.04401	2.0
135.08035	5.8
136.07588	1.3
137.05963	2.6
138.06755	7.1
139.07512	1.7
144.05746	0.7
145.02831	14.0
145.06461	4.2
146.06082	1.5
146.07242	27.2
147.04411	1.6
147.06786	15.8
147.07988	2.7
148.07552	7.1
149.05956	4.8
149.09599	1.9
150.09113	0.8
151.07526	4.5
152.08235	0.7
153.09097	1.7
160.07561	2.2
161.06064	1.1
161.08357	4.4
162.03130	0.6
162.06781	9.8
162.09116	18.2
163.03883	1.5
163.07600	3.2
163.09908	9.4
164.07053	7.9
167.39250	0.6
176.03383	1.5
177.05470	14.6
177.09081	15.3
178.08575	5.9
179.09393	15.2
194.05434	1.7
194.08040	2.0
194.11749	100.0
194.15459	2.4
195.06432	1.4
195.10280	1.0
195.12083	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	Isoferulic acid
Peak:m/z	Relative Intensity
53.03944	4.5
55.01860	1.2
55.05488	0.5
57.03439	3.3
57.07084	0.5
65.03934	2.0
67.05489	1.1
69.07057	0.8
71.42252	0.8
73.07468	0.5
77.03884	0.7
78.04687	1.3
79.05486	4.9
81.03402	0.7
81.07046	2.0
83.04994	0.8
89.03916	0.9
89.06026	0.7
91.05479	17.8
93.07034	5.5
94.04197	0.5
95.04958	9.6
95.08589	1.2
97.06556	0.6
103.05462	5.3
105.04509	1.2
105.07021	9.7
106.04156	0.6
107.04967	2.4
107.08568	1.4
108.05714	0.5
109.06526	1.0
117.03378	1.1
117.06995	1.9
119.04964	2.7
119.08594	0.7
120.05688	0.5
121.06495	86.1
121.10105	1.0
121.56785	0.5
122.06816	0.9
123.04400	2.6
124.05210	1.2
125.05936	0.5
130.67943	0.5
131.04930	1.5
133.06458	0.9
134.03601	1.4
135.04427	0.9
135.08040	23.6
135.11646	1.2
136.28375	0.5
137.05962	6.0
138.06744	6.3
139.07594	2.3
142.01149	0.5
145.02829	2.2
145.06412	0.9
146.07266	4.6
147.04341	0.7
149.05969	100.0
149.13245	0.5
149.97182	0.6
150.06332	1.7
151.03886	1.7
151.07484	1.6
152.04643	1.4
152.08101	0.5
153.05429	0.8
153.09087	3.4
154.06187	0.7
159.11716	0.7
161.05981	0.5
162.06763	2.9
163.03886	1.3
163.07538	12.9
164.08353	0.9
165.06808	0.5
165.09084	0.9
167.07030	11.9
177.05455	23.0
177.09071	3.8
178.05754	0.7
180.07782	1.2
190.08591	1.0
195.02815	1.5
195.06519	13.5
195.10159	5.0
195.11713	0.9
195.17438	0.6
198.05225	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03939	1.4
55.01866	0.6
55.05499	1.1
56.47865	0.4
56.73838	0.4
57.03426	2.3
57.07053	0.7
63.02348	0.9
65.03938	1.3
67.05498	1.8
69.03407	0.6
69.07067	1.7
70.53149	0.5
70.53506	1.4
71.05003	0.6
73.25987	0.4
77.03927	0.7
78.04704	1.9
79.05488	5.7
81.07050	3.3
83.08585	0.6
85.06492	0.4
89.03905	29.1
91.05473	7.5
91.10553	0.4
92.16203	0.5
93.03386	0.6
93.07021	3.0
95.04966	3.0
95.08628	2.6
99.08071	0.8
103.05450	4.9
105.03384	0.5
105.07016	11.8
106.04141	2.4
107.04943	7.9
107.08556	2.9
108.05718	0.6
109.06501	1.7
109.10135	1.9
111.04411	0.7
111.08076	0.6
115.05459	1.5
117.03364	53.4
117.07024	1.8
117.28648	0.4
118.03777	0.4
119.04929	1.7
120.05727	1.9
121.06493	14.2
121.07380	0.8
121.10085	2.3
123.04420	1.7
123.08028	1.2
123.11691	1.5
124.05173	0.9
125.06010	1.9
131.04906	2.3
131.08588	0.7
133.06458	1.2
134.03618	8.5
135.04408	7.5
135.08034	24.2
135.11668	1.5
137.02333	0.6
137.05960	6.0
137.13249	2.6
138.06755	6.4
139.03885	1.5
139.07550	0.8
139.11150	0.5
145.02827	92.8
146.03163	0.9
146.07257	5.0
147.04405	1.6
148.05162	0.9
149.05960	23.4
149.09598	1.4
151.07498	3.3
153.05466	0.6
153.09067	3.6
154.06256	4.7
158.06087	0.6
159.11551	0.4
161.05939	0.7
162.03091	1.9
162.06760	2.7
163.03889	9.6
163.07526	15.1
165.05554	0.7
165.06955	0.8
167.07048	1.7
177.05446	100.0
177.16330	2.4
178.05782	1.3
180.07802	1.5
186.05440	2.0
195.06567	4.3
195.08340	0.9
195.10146	5.4
195.13812	0.9
195.17401	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03934	1.3
55.01869	1.2
55.05510	0.7
57.03436	2.5
59.07877	0.4
63.02374	1.1
65.03943	1.5
67.05492	1.4
69.03420	0.7
69.07085	1.2
70.97852	1.1
71.04988	0.8
78.04698	1.4
79.05486	6.9
81.03405	0.7
81.07039	2.6
83.08595	0.7
85.02881	0.6
85.06493	0.5
89.03909	26.4
91.05475	8.2
93.03378	1.4
93.07047	4.5
95.04961	3.6
95.08604	2.5
97.06517	1.0
103.05457	5.7
105.03366	0.8
105.04497	0.8
105.07022	12.7
106.04142	2.5
107.04952	9.3
107.08610	3.1
108.05702	0.6
109.06507	1.5
109.10171	0.9
111.04456	0.6
111.08031	0.7
115.05459	0.9
117.03373	49.3
117.07028	2.9
119.04920	1.4
119.08603	0.6
120.05707	2.0
121.05644	1.1
121.06496	16.5
121.10159	2.4
123.04447	3.0
123.08036	1.1
124.05206	1.2
125.05996	1.3
125.09604	0.7
128.60355	0.5
131.04944	2.8
131.08536	0.6
133.02815	0.9
133.06487	1.5
134.03621	8.2
134.07227	0.8
135.04414	8.7
135.08041	33.1
135.11674	2.1
137.05972	7.7
137.13245	0.7
138.06752	9.5
139.03854	0.6
139.07516	1.3
145.02835	87.3
146.03151	1.3
146.07242	6.9
147.04364	1.8
149.05972	23.4
149.09593	1.6
149.13252	0.8
151.03899	1.1
151.07532	1.8
152.04659	0.7
152.08250	0.6
153.05476	1.0
153.09099	4.2
158.06027	0.6
159.11697	0.6
161.05974	0.7
162.03123	2.0
162.06761	4.2
163.03889	11.8
163.07542	19.4
165.05498	0.7
165.07028	0.6
167.07042	1.4
167.08420	1.0
177.05460	100.0
177.16309	0.8
178.05801	1.4
180.04131	0.6
180.07808	1.9
180.09236	0.6
186.05479	1.9
188.90240	0.5
189.74580	0.5
195.02872	0.5
195.06546	8.4
195.08124	0.8
195.10143	8.4
195.11807	1.2
195.13809	0.7
195.17453	1.0
198.05241	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	Monoethyl phthalate
Peak:m/z	Relative Intensity
53.00287	0.7
53.03942	1.0
55.01867	2.6
55.05494	0.8
56.81958	0.4
57.03431	3.0
57.07058	0.4
58.25608	0.4
65.03925	4.0
67.05490	1.8
68.99780	1.4
69.03418	0.9
69.07050	1.4
69.80573	0.8
69.80991	1.6
71.04972	0.7
73.02911	18.1
77.03929	0.5
78.04719	0.3
79.05486	6.5
81.03393	0.7
81.07034	2.5
83.04975	0.7
85.02882	0.5
89.03906	2.8
91.05474	9.1
93.03385	0.4
93.07042	2.6
95.01324	1.2
95.04963	4.0
95.08611	2.2
97.06531	0.9
98.97572	0.9
103.05463	4.5
105.04557	0.5
105.07022	16.3
106.04205	0.7
107.04947	8.9
107.08588	2.8
108.05719	0.8
109.02859	1.0
109.06494	1.9
109.10166	1.1
111.04421	1.0
111.08060	1.0
115.05434	2.1
116.06176	0.4
117.03373	5.6
117.06997	2.6
119.04955	3.0
119.08577	0.8
120.05690	2.3
121.02836	1.7
121.06496	20.2
121.10085	1.9
122.07307	0.5
123.04421	5.2
123.08060	1.0
123.11707	0.7
124.05186	0.9
125.02297	0.6
125.05939	0.7
131.04929	3.2
132.05675	0.5
133.02837	1.2
133.06477	1.6
133.10115	0.6
134.03613	1.1
135.04480	2.5
135.08041	40.6
135.11655	3.0
137.05000	0.8
137.05969	8.6
137.09602	2.6
138.06743	11.9
139.03900	1.6
139.07513	1.3
145.02834	10.7
145.06491	0.9
146.07256	7.5
147.04401	5.7
147.08034	0.6
148.05161	0.4
149.02328	100.0
149.05933	7.0
149.09612	2.2
149.13268	1.0
150.02730	1.4
151.03868	1.0
151.07536	1.5
152.04755	0.5
152.06198	0.7
152.08363	0.5
153.05457	1.0
153.09106	5.4
159.11736	1.0
162.06740	5.6
163.03902	2.0
163.07533	25.5
165.05476	0.7
165.06952	0.4
165.09129	0.7
167.07047	1.3
168.05553	0.4
177.05453	37.4
177.09023	5.6
177.12759	1.4
177.16373	0.5
178.05896	0.5
180.07803	2.3
195.02850	1.0
195.06531	12.0
195.08112	0.6
195.10162	9.0
195.11890	0.8
195.13803	1.2
195.17448	0.5
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	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02378	1.0
53.03934	5.3
55.01865	1.9
57.03432	17.4
65.03930	2.7
66.04733	0.8
67.05491	0.9
69.29468	7.7
77.03902	0.8
78.04688	1.5
79.05480	22.8
81.07034	1.5
85.02881	0.9
88.48787	1.0
89.03884	1.0
91.05465	18.5
92.05770	1.2
92.06281	1.1
93.07052	2.5
94.04195	1.8
95.04961	11.2
102.04671	1.4
103.05453	25.1
104.06266	1.0
105.04515	1.6
105.07018	54.0
106.04204	1.3
106.07372	1.4
107.04945	10.1
107.08581	1.4
108.05723	1.7
109.02826	1.3
109.06499	6.6
109.10170	0.9
111.04414	1.6
115.05437	4.8
117.06998	8.3
119.04890	4.5
120.05742	9.6
121.02896	2.7
121.06492	50.6
122.03635	1.2
122.07325	1.3
123.04424	13.6
123.08108	1.2
124.05273	4.0
125.05995	2.3
131.04909	11.5
133.06471	5.4
134.03648	1.5
134.07303	1.2
135.04451	3.8
135.08037	100.0
136.08386	2.5
137.05965	25.9
138.06750	29.6
139.03906	3.4
139.07553	9.5
145.02888	2.8
145.06468	1.7
146.07259	22.4
147.04372	4.7
147.07825	1.7
148.05246	3.1
149.05956	5.8
149.09639	2.8
151.03917	2.4
151.07611	3.4
152.04675	3.5
152.08047	2.1
153.05504	1.6
153.09091	11.5
154.06239	5.7
155.03383	1.6
161.06004	2.0
162.06741	12.7
163.03931	2.4
163.07524	63.8
164.08368	6.9
165.05504	3.9
165.07597	1.1
165.09120	1.6
167.07024	18.9
167.09619	1.1
177.05522	2.3
177.09076	10.8
178.09520	0.9
180.04199	1.0
180.07777	10.7
180.09303	1.5
195.06509	16.1
195.10202	31.1
195.12096	4.5
197.86699	1.0
214.17728	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1014
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03933	2.4
57.03432	8.3
65.03923	2.1
69.18416	12.8
69.55282	1.2
73.44804	1.1
79.05489	11.9
81.07037	1.7
82.80896	1.1
91.05477	16.5
93.07034	1.7
95.04954	7.3
98.20978	5.2
98.21574	1.9
103.05450	13.4
105.04527	1.7
105.07022	41.1
107.04932	4.0
109.06523	3.2
109.65882	1.1
115.05438	2.4
117.07014	5.5
119.04918	2.1
120.05707	8.9
121.06493	60.5
123.04442	10.6
124.05188	2.2
131.04921	8.7
132.05774	1.4
133.06483	4.2
135.08043	100.0
137.05960	25.2
138.06741	32.6
139.07501	2.5
144.05667	1.7
145.06511	2.6
146.07253	21.6
147.04431	3.2
148.05194	1.3
149.05963	8.8
149.09576	3.3
151.07452	1.9
153.09106	12.6
161.05968	1.8
162.06763	17.1
163.07529	61.3
164.08093	1.8
177.05424	3.2
177.09099	12.7
180.07852	6.4
195.02844	1.3
195.04916	1.1
195.06523	5.0
195.10146	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	195.1014
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03932	2.3
55.01868	1.1
55.05484	0.9
57.03434	6.8
63.11174	0.6
65.03928	1.0
67.05506	1.2
68.96312	1.2
71.07525	1.1
71.07851	0.8
78.04686	0.8
79.05067	1.0
79.05487	12.2
81.07055	1.4
86.02477	0.6
86.68172	0.7
91.05474	15.5
92.51871	0.6
93.07040	2.1
95.04960	8.2
95.08619	0.8
96.96851	0.6
103.05459	13.1
105.04516	1.5
105.07021	43.5
106.04124	0.9
107.04993	3.5
107.08588	0.9
108.05759	0.8
109.06512	3.0
109.98933	1.0
114.81883	0.7
115.05451	4.5
116.06224	1.2
117.03403	1.2
117.07000	6.6
119.04935	4.6
119.08542	0.8
120.05712	6.9
121.06492	58.1
121.10100	0.8
122.07282	1.5
123.04432	7.0
123.08060	0.9
124.05179	1.6
127.99933	1.0
130.96257	1.1
131.04907	9.1
132.05780	1.0
133.06479	4.3
135.08041	100.0
136.08408	2.2
137.05968	25.6
138.06746	29.3
139.07492	2.6
145.02856	3.1
145.06456	2.9
146.07248	20.7
147.04404	2.6
147.08018	1.9
148.05202	1.9
148.97357	2.8
149.05971	11.3
149.09608	3.5
151.03871	1.1
151.07536	2.0
152.08199	2.3
153.09090	14.6
153.98048	0.7
161.05978	1.6
162.06755	15.2
163.07527	64.2
164.08127	1.2
165.09129	2.0
167.07071	1.5
171.98987	2.2
177.05450	5.6
177.09096	11.3
180.07764	5.2
195.02904	1.5
195.06546	9.9
195.08139	0.5
195.10143	17.6
195.11864	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1013
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03931	2.3
55.01857	1.2
55.19770	1.0
57.03431	6.4
69.63061	2.1
69.63470	4.6
71.77087	0.9
78.04689	1.2
79.05479	15.6
81.07075	1.0
83.36146	1.0
89.03916	1.5
91.05463	12.5
93.07005	1.6
94.52692	1.1
95.04961	6.3
103.05450	12.2
105.04456	1.4
105.07014	37.6
105.09033	1.1
107.04945	26.7
109.06519	2.4
115.05448	5.4
115.47517	1.0
117.03374	2.6
117.06985	5.3
119.04906	3.3
120.05697	6.3
121.06488	45.9
122.07262	1.6
123.04415	8.3
124.05252	1.6
131.04901	8.2
133.06470	3.6
134.07245	2.4
135.08037	100.0
137.05968	20.8
138.06746	30.8
139.07439	1.6
145.02795	4.2
145.06473	3.1
146.07254	20.6
146.08363	0.8
147.04373	3.3
147.07996	1.9
148.05072	1.4
149.05934	1.5
149.09575	2.2
151.07552	1.5
152.08273	1.6
153.09087	12.3
162.06732	13.2
163.03859	1.6
163.07526	61.6
164.08121	1.1
167.07001	7.4
177.05479	4.9
177.09071	12.2
180.07794	7.0
195.06450	2.1
195.10147	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	195.1014
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02366	1.0
51.58941	0.8
53.03926	2.9
53.05322	0.8
55.01855	0.9
55.05498	0.8
57.03428	9.4
59.71207	0.7
64.63050	0.7
65.03925	1.6
67.05499	1.2
69.03416	1.0
69.22469	7.3
74.51553	0.7
77.03918	1.8
78.04689	1.5
79.05482	14.5
81.07047	2.4
89.03896	2.9
90.93754	0.8
91.05473	18.1
93.03412	0.8
93.07030	2.8
94.04202	0.8
95.04964	8.0
95.08587	1.1
102.04681	1.1
103.05454	17.5
105.04495	1.4
105.07019	48.4
106.04185	1.6
106.07355	0.9
107.04954	5.6
107.08586	2.6
108.05714	0.9
109.06495	2.3
110.07219	0.8
111.04422	0.9
115.05418	5.7
116.06165	0.9
117.03366	4.5
117.06989	6.4
119.04896	4.0
119.08587	1.0
120.05716	7.8
121.02850	1.3
121.06490	58.8
121.10078	1.3
122.07259	1.8
123.04413	8.7
123.08037	1.1
124.05146	1.4
125.05958	1.9
131.04919	10.6
132.05685	0.9
133.06461	4.1
134.03630	1.0
134.07256	2.0
135.04416	2.8
135.08037	100.0
135.11664	1.7
136.08392	1.7
137.05960	25.7
138.06740	35.1
139.07571	1.9
145.02823	9.4
145.06477	2.6
146.07246	23.7
146.08429	1.1
147.04369	3.2
147.08011	1.7
147.36699	0.9
148.05200	1.7
149.05937	3.8
149.09595	3.9
151.07523	2.0
152.08325	2.2
153.05429	1.3
153.09081	14.2
161.05975	1.6
162.06735	15.5
163.03871	1.7
163.07524	54.5
164.07788	0.8
165.06960	0.8
165.09071	1.9
167.06998	1.6
177.05478	10.3
177.09079	13.2
180.07788	5.2
195.02846	0.8
195.06572	4.6
195.08322	1.2
195.10136	17.1
211.29620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1014
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
55.52156	0.7
55.72767	0.6
57.03433	100.0
69.64224	0.7
70.68079	1.9
70.68432	0.9
79.05517	1.0
81.07081	1.0
83.63197	0.6
91.05491	0.9
105.07021	3.1
107.04928	1.5
117.03375	1.0
121.06529	2.6
124.05219	3.1
135.08055	6.9
137.05995	1.5
138.06830	1.1
138.10713	0.6
139.07513	3.2
145.02876	1.0
146.07310	1.4
162.06766	0.8
163.03873	0.9
163.07558	3.7
168.02446	0.7
177.05502	1.7
195.10167	12.5
195.11824	0.8
203.05727	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00304	0.7
53.03934	2.6
53.37555	0.5
55.01860	2.2
55.05506	1.1
57.03417	2.1
65.03943	1.1
67.05499	1.7
69.03429	0.9
69.07050	1.5
71.02277	1.3
71.02625	0.8
77.03926	0.7
78.04703	0.7
79.05487	14.6
81.03412	0.6
81.07050	3.3
83.08621	1.0
89.03912	9.0
91.05477	8.9
93.07038	3.0
93.99710	0.5
95.04971	6.5
95.08605	2.4
103.05459	12.7
105.04500	0.8
105.07028	18.4
106.04160	1.0
107.04948	100.0
107.08593	3.0
108.05235	0.8
109.06489	1.4
111.04443	0.7
115.05450	8.4
117.03378	15.8
117.06983	3.6
119.04935	2.1
120.05739	3.8
121.06491	10.4
121.10148	2.5
123.04387	2.9
124.05222	1.7
125.05991	1.7
125.09663	0.6
131.04913	1.9
133.02840	1.2
133.06487	1.3
133.10133	0.8
134.03636	2.6
135.04483	3.6
135.08044	41.8
135.11665	1.2
137.05977	5.4
137.13304	0.7
138.06743	5.2
139.07562	0.9
145.02837	26.0
145.03975	1.5
145.06477	1.5
145.07581	1.2
146.07236	3.6
147.04427	1.1
148.05196	0.9
149.05956	8.3
149.09645	0.9
149.13199	0.6
151.03868	0.8
151.07512	2.3
152.04643	1.2
152.07860	6.6
153.05476	1.0
153.09120	2.0
154.06258	2.5
162.06740	2.8
163.03857	5.9
163.07541	47.9
164.07889	0.7
165.05611	1.4
165.06998	1.7
166.07689	0.6
167.07043	8.2
177.05460	32.1
177.09119	2.2
177.16451	1.0
178.05809	0.8
180.07831	3.2
180.09264	1.1
186.05530	0.8
195.02965	0.7
195.06514	6.6
195.10149	11.3
195.11702	1.5
195.17371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1741
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03939	2.0
55.01871	2.7
55.05499	14.0
57.03429	3.2
57.07069	12.8
57.13855	0.7
59.05000	1.3
65.03929	1.5
67.05495	12.3
69.03419	4.1
69.07058	26.4
69.96859	4.5
70.06591	0.8
71.04985	5.3
75.86426	0.9
77.03922	1.1
79.05482	10.8
81.07045	39.0
83.04989	1.6
83.08601	13.1
85.06532	2.5
89.03909	8.0
91.05472	9.2
93.07034	22.2
95.04946	3.2
95.08595	66.5
97.06493	1.6
97.10150	5.4
98.06036	2.1
98.21389	1.4
99.08077	12.0
103.05437	2.8
105.04540	1.2
105.07015	9.9
105.40600	0.9
106.04195	1.1
107.04955	6.8
107.08578	42.5
109.06493	2.9
109.10136	24.3
111.04423	1.0
111.08070	7.3
111.11700	2.7
113.09664	2.2
115.05475	0.8
117.03365	13.9
117.07001	1.0
119.08563	1.9
120.05672	1.2
121.02868	2.4
121.06497	9.3
121.10125	57.9
123.04449	1.2
123.08056	1.5
123.11678	12.5
125.05991	6.5
125.09608	9.0
131.04906	1.7
133.06468	0.7
133.10147	1.0
134.03607	1.7
135.04414	4.3
135.08041	15.6
135.11678	19.5
136.08374	0.8
137.05954	4.3
137.13235	100.0
138.06758	3.7
138.13597	0.9
139.07487	1.8
139.11162	3.3
145.02823	24.6
146.07257	3.7
148.97357	1.0
149.05948	6.6
149.09604	1.7
149.13271	6.3
151.03874	1.4
151.07506	1.4
151.14784	1.5
152.04709	2.2
153.05508	1.4
153.09096	0.7
159.08078	0.8
162.03123	0.8
162.06783	1.7
163.03870	4.4
163.07547	8.8
165.05408	0.9
167.07028	2.1
167.14354	0.9
177.05447	30.7
177.09126	1.7
177.12808	1.9
177.16360	56.3
178.05724	0.8
178.16721	1.0
180.07758	1.2
195.02841	1.1
195.06453	7.5
195.08089	1.5
195.10165	5.3
195.13792	1.9
195.17421	36.4
198.05240	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01863	4.5
55.05259	2.1
55.05505	17.5
57.03420	2.8
57.07068	4.2
59.89223	1.1
60.36450	0.9
65.03939	2.3
67.05486	8.1
69.03423	36.1
69.07063	29.5
69.87479	2.4
69.87884	5.0
71.04993	6.1
79.05480	20.1
81.03435	1.5
81.07049	30.5
83.04965	3.9
83.08606	8.7
83.24527	1.1
85.06525	8.3
89.03899	16.4
91.05465	15.9
93.07034	18.6
95.04945	8.8
95.08599	34.1
97.06519	3.3
97.10163	3.0
98.20866	1.2
99.08083	37.4
103.05460	10.8
105.03401	1.5
105.07018	23.2
106.04173	2.2
107.04941	55.0
107.08579	31.6
107.34043	1.1
109.06503	4.6
109.10139	12.4
111.08072	6.6
111.11730	6.0
113.09634	1.8
115.05438	5.1
117.03368	35.5
117.07023	4.1
118.03769	1.0
119.04925	3.1
119.08575	2.6
120.05698	3.8
121.02853	1.6
121.06493	18.9
121.10125	38.0
122.10507	1.1
123.04430	4.2
123.08030	2.8
123.11700	4.7
124.05213	2.5
125.05995	1.8
125.09616	100.0
131.04909	3.3
133.06464	2.2
134.03624	5.9
135.04408	11.4
135.08040	43.1
135.11670	15.1
136.08449	1.5
137.05952	8.0
137.13257	12.4
138.06758	10.3
139.03873	1.6
139.07524	2.9
139.11188	1.8
145.02831	58.9
145.06511	1.6
146.03168	2.3
146.07202	7.8
147.04414	2.3
149.05972	16.2
149.09598	2.0
149.13260	3.7
151.07553	9.4
152.04613	2.5
153.05507	2.1
153.09108	4.6
159.11548	1.4
162.03090	1.4
162.06729	3.0
163.03894	11.1
163.07523	34.8
165.05542	1.7
165.06932	2.5
167.07021	7.0
167.08459	2.1
177.05449	70.3
177.08971	6.6
177.12833	2.4
177.16367	36.7
178.05904	2.7
180.07794	2.9
180.09308	2.4
186.05449	1.6
195.06508	16.4
195.08113	2.9
195.10149	13.1
195.11726	3.4
195.13710	2.7
195.15698	1.0
195.17435	18.0
196.10498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1742
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03919	2.0
55.01856	3.4
55.05508	8.3
57.03425	6.8
57.07068	12.0
63.35219	1.1
63.80209	1.2
65.03912	1.6
67.05498	9.3
69.07062	15.1
69.23177	12.7
71.04984	1.9
71.08606	1.1
79.05483	15.3
81.03408	1.9
81.07052	28.6
81.21619	1.1
83.04986	1.4
83.08616	8.2
85.06541	2.5
86.00666	1.1
88.53164	1.1
89.03905	21.2
91.05473	12.9
93.07030	17.0
95.04955	6.3
95.08596	48.0
97.06481	1.6
97.10137	2.2
99.08074	2.6
103.05461	4.9
104.59318	1.2
105.03382	1.8
105.07016	17.6
106.04140	1.9
106.07375	1.3
107.04283	2.1
107.04940	19.7
107.08584	31.8
108.05745	1.7
109.06514	5.3
109.10137	10.3
111.04479	2.8
111.08064	4.2
111.11645	1.2
117.03365	44.9
117.06992	3.5
119.04880	1.5
119.08526	2.0
119.94941	1.4
120.05669	2.3
121.06483	21.3
121.10130	45.0
122.03655	1.9
123.04413	4.3
123.08060	2.3
123.11688	38.0
124.05171	1.4
125.05987	3.2
125.09597	4.1
131.04962	2.8
133.02779	2.1
133.06488	2.6
133.10112	2.0
134.03595	7.7
135.04408	10.6
135.08043	33.6
135.11684	16.0
137.05960	7.3
137.13237	100.0
138.06761	8.6
138.13560	1.5
139.07527	1.7
139.11159	2.5
145.02827	72.4
145.06458	1.5
146.03156	1.9
146.07263	6.3
147.04420	2.0
149.05966	17.8
149.09637	2.3
149.13245	5.1
149.97255	1.2
151.03899	1.6
151.07535	3.3
152.04698	2.2
153.05440	2.1
153.09085	5.0
159.11618	1.3
162.03017	1.9
162.06755	4.7
163.03879	13.2
163.07524	22.4
165.05508	2.2
165.06964	3.7
167.07021	2.4
167.08551	1.2
177.05447	83.8
177.09070	4.7
177.12741	1.7
177.16357	46.2
178.05757	3.1
180.07837	1.8
180.09309	3.5
186.05453	2.0
195.02902	2.2
195.06531	16.9
195.08136	2.8
195.10149	7.6
195.11688	2.4
195.15648	2.3
195.17421	36.4
196.06938	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01865	10.5
55.05518	4.9
56.05013	0.9
56.96560	72.0
57.03432	33.6
58.96161	1.9
58.99854	6.3
59.04999	2.4
60.04519	1.5
61.02919	30.4
65.03926	1.4
67.02620	0.9
67.05492	2.8
68.98295	2.5
69.03419	17.3
69.07053	3.7
69.96161	2.3
70.06590	2.2
70.95853	2.4
70.98109	4.9
70.99844	2.4
71.01329	2.2
71.04977	4.3
71.52257	1.3
71.94106	1.2
71.95272	1.3
72.93777	1.7
73.02913	31.9
73.06552	1.4
74.03263	1.3
74.97578	1.5
75.04450	1.2
77.00900	7.1
79.05508	1.9
80.04998	1.5
81.03407	7.4
81.07038	3.7
82.01424	1.3
82.99825	1.9
83.04977	3.3
84.01558	1.2
84.08113	2.1
84.96031	3.2
85.02895	26.1
86.99323	2.4
87.00796	1.9
87.04469	2.6
88.02670	2.5
88.99145	4.0
89.00842	3.0
90.02432	1.0
91.02444	1.6
91.05473	5.6
92.98614	1.4
94.06568	1.7
94.99810	1.2
95.01334	1.9
95.01929	2.7
95.03423	1.2
95.04955	2.4
96.04488	3.4
97.02878	22.7
98.01283	2.0
98.03174	1.7
98.97573	15.5
99.04446	5.1
100.02467	19.4
101.00868	16.9
101.02417	2.0
102.02380	5.7
103.00651	1.4
103.02424	4.6
103.03212	1.1
103.05470	1.1
104.01298	1.1
105.00375	4.9
105.02091	1.2
105.07008	2.1
107.00163	2.1
107.08562	1.5
108.04451	1.5
109.02897	4.2
109.06554	1.3
110.01339	1.2
110.02148	1.5
110.06022	2.6
110.97545	6.6
111.02920	10.9
111.04468	1.1
111.52977	1.5
111.53674	2.4
111.98477	2.1
112.01013	1.6
112.07589	2.7
113.00840	10.3
113.02353	4.1
113.53175	1.2
115.02425	7.6
115.03101	1.4
116.98616	9.9
117.01849	2.3
117.02870	1.1
118.01095	1.7
118.03520	18.4
119.01904	100.0
119.04920	2.8
120.01955	5.5
120.03369	5.3
120.53469	1.4
121.01624	7.8
121.03410	3.3
121.06459	1.5
123.01392	1.7
124.03910	9.9
124.07525	1.5
125.02589	1.6
126.03412	3.0
126.98740	1.3
127.01510	1.4
127.02395	3.5
127.03892	6.4
128.02258	4.6
128.53893	1.0
128.98615	10.5
129.03027	1.8
129.03955	8.5
129.99545	2.3
130.01865	1.2
130.08546	2.2
131.00275	2.2
131.01889	72.9
131.96106	5.1
132.02010	4.3
132.05125	1.5
132.08107	1.6
132.95796	3.0
133.01620	3.2
133.02592	2.2
133.03468	20.3
133.10121	1.3
134.02132	1.3
134.03482	1.6
134.99634	7.2
135.54442	1.1
136.03879	3.3
136.07559	10.4
136.08408	2.2
137.02937	26.9
137.05975	9.3
139.02469	2.8
140.03226	1.8
142.03503	6.3
143.00142	1.4
143.01845	8.6
144.99832	11.9
145.01601	1.8
145.02432	1.3
145.03432	21.9
145.05141	1.6
146.02235	1.6
146.03275	1.6
146.99634	23.2
147.01384	3.5
147.03180	2.4
147.05096	10.3
149.01151	2.3
149.02914	23.8
149.03970	1.5
149.05707	2.3
149.97217	12.3
150.01724	3.1
150.03806	1.5
150.05414	1.6
150.06621	6.9
150.09114	4.3
150.96890	6.5
150.99106	2.0
151.04469	3.4
151.07536	1.5
152.07005	2.7
153.04022	1.5
154.03464	5.4
154.05913	1.2
154.53154	1.5
154.97755	1.5
155.01859	31.9
155.97389	2.3
156.02002	2.4
156.05042	3.9
156.98087	1.1
157.03485	7.8
158.03677	1.5
158.06587	2.4
158.99635	4.4
159.01338	3.4
159.03252	2.8
159.05008	2.7
160.02866	2.0
160.04532	1.4
160.07556	5.9
161.01151	2.3
161.01440	1.9
161.02924	20.7
161.04419	1.4
162.03149	3.2
162.99078	1.3
163.00952	1.7
163.02623	1.9
163.04626	6.4
165.00713	8.8
165.06094	1.7
167.02032	2.2
167.04230	1.0
167.07021	1.5
167.98250	1.3
168.05070	3.1
168.99843	3.3
169.03368	1.4
170.04980	1.0
170.06622	2.4
171.01373	2.8
171.05083	2.8
172.01543	1.4
172.04451	2.5
172.95224	3.7
172.97536	3.3
172.99171	11.2
173.01311	5.9
173.02943	92.3
173.98491	4.3
174.03091	3.1
174.06122	2.3
174.99179	4.8
175.02733	2.8
175.04520	4.0
176.03232	1.8
176.06136	1.3
176.07639	2.6
177.00694	6.1
177.02417	3.9
177.04239	1.6
177.06105	1.4
178.03436	2.6
178.04840	1.8
178.06125	2.8
178.08591	12.8
179.06985	2.5
182.03087	1.7
182.04601	1.5
182.06656	1.2
183.01587	1.4
184.03087	2.3
184.04652	3.2
184.54681	1.5
185.02780	9.0
185.06575	1.7
186.03008	1.6
186.04494	1.9
187.00856	9.7
187.02725	3.7
187.04518	4.3
188.05930	7.8
188.07703	3.1
189.00719	2.5
189.02466	3.7
189.04332	1.1
189.06030	4.2
190.00346	1.3
190.09251	2.3
190.96301	2.5
190.98621	19.5
191.00345	14.8
191.02245	4.5
191.03944	20.5
191.05513	1.1
191.07651	1.2
193.00104	2.8
196.00957	9.2
196.04543	17.8
196.06053	2.4
196.07076	4.4
196.09642	10.8
196.16936	4.4
197.02980	2.5
199.00938	1.6
199.04497	1.4
201.02417	1.6
201.04233	1.2
203.04001	7.8
204.03946	1.4
205.00160	2.7
205.03708	1.7
205.05533	1.3
206.07074	1.7
207.03555	1.8
208.99663	4.1
211.00749	1.2
214.00246	1.3
214.02023	7.5
214.03790	1.6
214.05606	3.6
214.09267	2.5
215.00388	5.2
215.02130	1.7
215.03976	2.5
216.00423	1.2
217.01889	2.3
219.01665	1.9
219.03537	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76170	1.1
52.25282	0.9
53.03935	3.7
55.01864	7.5
55.05498	1.3
56.05017	2.0
56.96561	58.0
56.96846	2.9
57.03433	17.5
58.99856	3.6
59.04991	2.5
59.54451	1.0
60.04513	2.1
60.08157	1.8
60.71572	1.0
60.95858	1.8
61.02924	20.5
65.40192	1.1
67.05502	2.0
68.05014	1.4
69.03422	18.8
69.07076	1.4
69.30382	11.2
70.03743	1.0
70.95860	3.1
70.98109	4.3
70.99849	3.5
71.01357	1.8
71.04986	4.9
71.95253	4.4
72.93793	1.8
72.96059	1.6
73.02913	50.7
74.97597	2.3
77.00895	3.4
81.01875	1.9
81.03409	8.9
81.07042	1.2
83.04964	2.0
84.01573	1.2
84.96024	2.6
85.02899	35.0
85.06541	3.0
86.03238	1.7
86.99315	1.6
87.04463	2.5
88.02690	1.9
88.99133	2.4
89.00836	2.4
90.01554	1.5
91.02341	1.8
91.05470	3.5
92.01274	1.1
93.01874	2.6
93.07053	2.6
94.02653	2.5
95.04957	1.7
95.06062	8.1
96.01510	1.3
96.02434	3.5
97.02882	21.8
98.01282	3.2
98.97574	32.1
99.04451	4.8
100.02596	4.7
100.92387	1.1
101.00869	27.0
101.02369	1.7
102.00948	1.8
102.02425	5.5
102.52464	1.7
103.02441	3.2
103.03918	2.0
103.05442	1.2
104.01260	1.8
107.01795	1.3
107.03483	1.7
107.04947	4.2
107.08620	1.6
108.00752	1.2
108.02366	2.1
109.02920	4.7
109.06525	1.8
110.01292	3.2
110.97568	3.7
111.02924	2.7
111.98444	2.0
112.02779	1.3
112.99122	2.0
113.00835	6.1
113.01597	1.1
113.08250	5.0
114.02393	2.2
115.01579	2.0
115.02419	6.8
115.03129	2.3
115.03915	1.6
116.98614	25.6
117.01861	1.0
117.02929	3.5
117.03981	1.3
118.01032	2.1
118.03536	2.9
119.01907	100.0
120.01976	8.1
120.03393	1.1
121.01593	3.4
121.03409	2.7
121.06538	3.2
123.02148	1.2
123.02908	7.8
124.95481	2.4
126.03461	1.3
127.02434	1.6
127.03929	7.1
128.02322	5.1
128.98634	6.1
129.02946	2.7
129.03902	2.3
129.99544	1.3
130.00801	1.1
130.01796	1.8
131.00157	4.1
131.01889	28.2
131.02817	2.2
132.02032	3.8
132.03406	7.0
132.05066	3.2
132.95825	4.6
133.01671	3.9
133.03426	11.3
133.10172	2.2
134.05992	8.0
134.99646	12.7
135.03020	2.7
135.11644	2.7
136.03632	1.2
136.07527	1.9
137.02946	26.2
137.05980	3.8
137.08075	2.4
138.03430	5.9
138.06688	1.5
139.04201	1.5
139.54913	1.2
140.04980	3.5
141.03015	1.7
141.03966	1.7
142.03885	9.3
142.96512	8.3
143.00137	2.8
143.01871	15.6
144.01953	1.5
144.03410	4.2
144.99829	5.1
145.01692	2.1
145.03458	13.8
146.02235	1.5
146.03569	2.0
146.05025	2.2
146.53036	1.2
146.99652	5.1
147.01326	3.1
147.03152	2.6
147.05098	2.6
148.02060	1.4
148.03876	3.1
148.05066	1.6
149.01204	2.7
149.02951	6.9
149.05954	3.6
150.01849	1.3
150.06134	1.5
150.96904	7.2
151.04498	3.3
151.09460	1.4
152.07039	12.8
153.00740	3.1
153.03978	6.3
154.03523	1.2
154.04782	1.2
154.06216	1.2
154.90749	6.6
155.01898	11.8
155.09254	1.3
155.97298	1.9
156.01888	5.3
156.05014	2.1
157.01541	1.6
157.03455	11.1
158.03540	1.4
158.99681	2.3
159.04944	3.7
160.97563	12.6
161.01231	4.4
161.02948	32.1
161.04399	1.8
161.06689	1.2
161.07932	6.2
162.03105	4.8
162.05537	2.4
162.99188	1.5
163.02711	2.8
163.04445	5.2
165.00708	2.2
165.03995	1.5
167.01877	3.1
169.03398	1.8
170.99640	4.1
171.05019	3.0
173.01215	3.0
173.02960	28.1
173.98413	5.4
174.00710	2.3
174.03090	10.2
174.06076	6.2
174.99124	4.4
175.02753	3.7
175.04495	5.7
176.03456	1.4
177.00716	3.6
177.04254	2.7
178.98659	3.1
179.02228	1.3
179.09006	9.1
179.10760	3.0
180.06567	9.9
183.04958	1.4
184.04678	1.4
185.02936	16.0
186.03188	1.4
187.00917	3.8
187.02921	1.4
187.04527	4.7
189.00676	3.0
189.02322	1.5
189.06067	1.9
191.02304	2.3
191.04013	3.4
192.04181	1.9
192.07187	2.2
193.00232	7.4
193.03691	1.8
196.91815	7.9
197.01180	1.7
197.02890	4.6
197.04555	1.5
197.06490	1.5
197.10004	4.5
197.11728	2.2
198.07619	4.3
198.18567	2.7
199.04495	2.7
201.00813	1.7
201.06102	1.4
203.04013	11.7
205.03816	1.9
207.01741	2.1
209.03035	1.9
213.06026	1.3
215.02109	1.5
215.03954	2.8
215.05812	1.5
219.01746	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	Methyl everninate
Peak:m/z	Relative Intensity
51.02372	1.3
52.58091	0.6
53.03932	3.0
55.01859	2.5
56.96547	2.3
57.03419	1.1
59.06123	0.7
61.59317	0.5
62.20718	0.6
65.03934	3.0
65.22961	0.7
65.25936	0.5
66.04729	0.6
67.05493	1.3
69.53284	4.8
70.95848	3.3
71.04974	0.9
71.06123	0.7
72.93771	2.2
73.02888	0.8
76.62062	0.6
77.03904	4.7
79.05488	10.2
81.03416	1.2
81.07050	8.9
83.04968	1.4
85.02883	1.6
90.94816	0.6
91.05472	41.5
91.47267	0.6
93.06984	0.8
94.04180	8.3
95.04973	7.6
95.06068	1.2
95.08591	0.7
97.02870	1.3
98.97573	2.1
105.03384	24.4
105.04474	1.4
105.07018	2.0
107.04935	5.0
107.08581	1.8
109.02856	0.8
109.06509	30.8
109.07262	1.5
110.06031	0.7
111.04459	1.6
111.98466	2.9
112.80836	0.8
113.08221	3.2
116.98621	1.5
119.04935	11.3
119.05804	1.0
122.03639	11.4
123.04414	16.2
129.99504	1.9
132.95825	5.9
133.02838	100.0
133.10110	1.7
134.03244	1.0
135.04391	5.2
135.11670	1.0
137.05963	72.9
138.06624	2.1
138.59904	0.7
139.03929	1.2
147.04410	8.4
150.96875	9.8
151.03888	1.7
151.07497	1.6
153.05438	4.1
154.06229	1.5
155.09239	1.7
155.97397	3.0
164.04691	1.7
165.05461	37.4
167.07016	2.9
168.97928	0.7
169.08603	1.8
173.98474	6.8
174.05542	1.1
177.00681	0.7
179.06996	0.8
179.09303	0.8
179.10666	2.4
182.05675	1.7
197.04424	1.0
197.08022	5.2
197.09770	0.8
197.11719	2.4
198.18488	2.2
202.96655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0806
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
51.82141	0.2
52.03163	0.3
53.03941	0.4
55.01866	1.9
65.03935	2.0
67.05503	1.4
69.63404	1.1
73.02911	19.8
74.03275	0.2
75.37823	0.2
85.02901	0.3
91.03954	0.3
91.05468	2.6
93.03400	1.0
95.04956	1.2
107.04947	0.3
107.08560	0.2
108.02077	1.7
109.02856	0.2
109.06549	0.3
110.03643	2.3
111.04444	1.8
112.01563	0.4
115.11212	0.2
119.04921	2.0
122.03638	0.2
123.08102	0.3
125.05978	14.9
127.03993	0.2
130.12460	0.2
132.95840	0.2
133.02838	0.4
135.11658	0.2
136.01540	0.3
136.05092	0.2
137.05972	1.8
141.05452	2.7
147.04391	3.6
149.05959	2.9
151.03893	100.0
151.04971	7.7
151.07437	4.4
152.04231	1.6
165.05467	0.4
167.07147	0.2
173.98518	0.2
179.07011	18.1
180.07468	0.3
182.05710	0.3
184.03397	0.2
197.06229	0.4
197.08075	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	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
52.15586	0.6
53.03946	2.3
55.01889	2.3
55.05508	6.9
56.96559	1.6
57.03434	1.4
57.07079	2.7
59.04983	3.9
64.89499	0.7
65.03943	1.5
67.05500	9.5
68.04996	0.8
69.03447	2.6
69.07056	3.7
70.06582	1.0
70.32433	2.7
70.95865	8.9
71.01363	1.5
71.05003	2.1
71.06104	0.8
72.08149	0.7
72.93785	3.6
73.02906	3.6
79.05494	9.8
79.79613	0.6
81.03424	1.9
81.07048	13.1
83.04991	3.0
85.02915	3.0
85.06543	4.1
85.07681	0.8
88.96912	1.9
90.94831	0.8
91.05473	28.6
92.59230	0.7
93.07039	30.3
95.04961	12.1
95.06035	1.0
95.08599	10.6
96.05659	1.8
96.08132	1.0
97.02912	2.1
97.06538	2.2
98.97564	1.6
99.04474	1.6
103.05486	1.3
105.03410	2.1
105.07024	34.3
107.04963	2.3
107.08587	70.2
108.08940	0.9
109.02892	1.2
109.06518	10.9
109.10152	9.6
111.04440	2.4
111.08096	2.3
111.98460	5.7
113.06009	1.6
113.08247	7.0
113.96401	1.4
115.05460	0.9
116.98663	0.9
117.07011	1.2
118.07803	0.9
119.01855	0.8
119.04951	5.7
119.06008	1.2
119.08572	11.4
121.06497	6.2
121.10146	3.3
122.07175	0.7
123.04428	7.2
123.08057	9.2
123.11663	4.8
125.05988	5.7
125.09652	1.5
127.03925	1.4
129.99503	4.5
131.08563	3.3
132.95804	9.2
133.02829	3.4
133.06516	2.2
133.10120	75.6
134.10469	1.2
135.08044	2.0
135.11679	52.7
136.12001	1.0
137.05971	14.5
137.08266	2.3
137.09601	7.4
138.05721	1.2
138.06738	6.1
139.03862	1.0
139.07545	1.9
141.05492	2.5
141.06999	1.4
143.08571	2.3
146.07262	2.4
147.04395	9.3
150.96877	22.7
151.03900	10.0
151.05022	1.1
151.07568	4.9
151.11180	6.5
152.07036	4.6
153.05347	1.1
154.06247	2.8
155.09291	2.8
155.10493	0.8
155.97423	7.8
161.02890	1.3
161.09612	37.2
165.05467	3.2
167.03424	1.5
167.07060	2.3
167.08527	0.8
169.08626	4.8
169.09981	1.4
173.98470	16.6
179.07249	6.2
179.10663	100.0
179.14082	5.7
180.11031	1.4
182.05789	1.2
182.10892	1.2
197.00063	1.3
197.06061	2.0
197.08060	5.9
197.10126	2.6
197.11720	67.3
197.13161	3.0
198.18480	8.3
212.32851	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
52.04268	0.9
53.03934	2.2
54.15678	0.9
55.01858	1.8
55.05508	5.2
57.77166	0.9
59.04980	2.8
60.61977	0.9
67.05502	5.8
67.05811	1.3
69.03419	1.8
69.07061	2.3
70.99117	1.9
72.93748	1.0
73.02945	1.1
76.79914	0.9
78.93837	1.1
79.05479	7.2
81.07057	7.7
85.06546	1.2
91.05472	19.7
93.06465	1.8
93.07033	23.2
95.04944	7.8
95.08589	3.2
97.06532	1.3
105.07021	33.0
107.08583	72.8
109.06504	6.9
109.10139	6.0
109.51911	0.9
111.98450	1.0
117.06891	0.9
119.04934	2.4
119.06107	1.1
119.08575	9.1
121.06519	6.0
123.04408	3.2
123.08032	1.0
123.11678	3.7
125.05975	9.5
127.03881	3.2
128.06313	1.1
130.38130	0.9
131.08556	2.8
133.10118	75.0
134.10477	1.5
135.08044	2.3
135.11679	56.5
137.05965	9.4
137.09581	4.8
139.90388	1.0
143.08534	1.2
146.07216	1.7
150.96848	2.3
151.03896	1.5
151.11162	7.8
154.88141	0.9
161.09599	34.6
165.05461	1.0
173.98453	1.9
179.10655	100.0
180.11076	1.0
193.70341	1.0
197.11714	66.4
198.12076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.117
Annotation	Phenol A
Peak:m/z	Relative Intensity
53.03925	3.3
55.01864	5.5
55.05500	24.1
57.03441	2.2
63.08092	1.2
65.03941	1.6
67.05487	6.0
68.99776	3.8
69.03404	6.1
69.07033	1.2
70.67487	2.8
70.95840	5.0
71.04972	1.6
72.93757	2.8
73.72515	1.3
79.05494	8.7
81.07047	20.8
83.04950	2.2
91.05468	13.4
93.07017	11.3
95.04974	6.4
95.08585	4.9
96.05706	1.5
97.06518	10.3
99.04440	13.9
105.03398	3.2
105.07015	17.0
107.04945	2.1
107.08579	27.9
109.06512	15.8
109.10126	3.4
110.25896	1.5
111.04443	3.2
111.98473	3.8
113.08183	1.7
117.07014	1.6
119.04964	2.5
119.08565	4.4
121.06483	3.0
121.65352	1.3
123.04388	4.4
123.08067	2.1
123.11644	2.0
125.05976	100.0
127.03899	38.2
129.99506	1.7
132.95857	6.6
133.02863	1.6
133.10115	25.2
135.08043	2.2
135.11681	16.6
137.05959	90.5
137.09583	2.5
138.06683	3.2
139.03925	2.9
143.08542	3.7
146.07315	2.0
147.04382	5.2
150.96880	14.9
151.03893	5.1
151.07523	2.9
151.11133	4.5
153.09088	1.6
154.06145	1.6
154.46027	1.3
155.97433	3.9
161.09578	21.2
165.05475	5.0
165.08089	1.9
167.07043	1.8
169.08586	2.4
173.98431	11.2
179.06998	2.4
179.10641	36.6
197.08047	4.9
197.11743	25.6
198.18553	3.6
208.88852	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03934	0.7
55.01868	0.9
55.05505	2.2
57.03424	0.7
57.07062	0.3
59.04998	1.3
65.03941	1.0
67.05500	3.7
69.03416	2.6
69.07064	1.4
69.55419	2.3
70.95859	1.1
71.04979	0.9
72.93772	0.8
73.02896	1.2
77.03906	0.4
79.05486	4.9
81.07047	4.5
83.04977	1.7
83.08618	0.5
85.06546	0.7
87.04462	0.4
88.96857	0.4
91.05474	11.7
91.06016	0.8
93.07035	12.5
95.04974	2.0
95.08601	5.2
97.06518	0.8
98.20737	0.6
99.04397	0.4
99.08070	0.7
103.05452	0.5
105.07022	20.8
105.48956	0.4
107.04982	1.3
107.08582	100.0
108.08914	1.1
109.06503	5.1
109.10152	5.9
110.03644	0.3
111.08055	0.5
111.98474	0.9
113.08231	1.4
113.09612	1.1
115.05524	0.5
117.07007	1.0
118.07781	0.5
119.04922	1.7
119.06071	1.2
119.08571	7.7
119.09363	0.7
121.06493	2.9
121.10140	4.4
123.08079	1.6
123.11687	1.8
125.05984	0.9
128.06250	0.7
129.99475	0.5
131.08556	2.2
132.95886	1.9
133.02873	0.5
133.06529	0.9
133.10117	56.6
134.10466	0.7
135.08070	0.7
135.11674	11.4
137.05936	3.2
137.08406	0.4
137.08571	0.4
137.09604	3.3
138.06741	1.3
139.07539	0.9
143.08568	1.7
146.07249	1.7
147.04408	1.2
149.09642	3.1
150.96864	3.3
151.03880	2.9
151.07535	1.8
151.11177	8.4
154.07797	0.4
155.97424	1.4
161.09605	15.5
165.05566	0.6
167.10672	8.4
169.08617	0.7
169.10150	0.4
171.29677	0.4
173.98468	1.7
179.07227	0.9
179.10658	24.3
197.08028	1.0
197.11717	43.0
198.12149	0.4
198.18500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04360	1.5
53.03933	1.9
55.05501	2.9
56.05031	9.5
56.96563	18.9
57.04548	2.7
57.93545	1.9
58.99851	2.3
59.06122	1.9
69.03409	2.5
69.07048	3.2
70.13339	6.3
71.04973	5.3
71.95238	3.1
72.04496	2.0
74.09719	8.0
74.65497	1.7
79.74227	1.4
81.03396	5.2
83.08629	1.9
84.08939	1.6
86.01919	1.6
90.49326	1.6
95.40839	1.4
97.99161	2.7
98.21460	1.6
98.97575	70.2
99.04456	6.0
99.05579	6.6
100.02473	4.7
100.07641	2.9
101.00874	11.9
101.02547	1.8
103.00592	1.7
111.04428	3.6
116.00214	3.6
116.01943	13.6
116.97301	14.1
116.98604	70.6
117.72144	1.4
118.03512	26.4
119.01907	63.8
120.02016	5.1
121.01675	7.2
125.04243	1.5
130.03493	5.8
131.01895	2.6
131.99544	4.2
132.05009	2.6
133.03476	3.0
134.01286	4.4
134.02971	100.0
134.04735	5.9
134.99640	64.7
135.03134	3.8
136.04533	26.2
137.02945	28.4
139.02605	4.2
139.03555	2.5
140.00143	1.8
142.03499	7.4
143.01872	1.9
145.03534	1.4
147.04974	2.2
149.06511	1.9
150.06110	2.2
152.04019	24.8
152.05881	4.1
152.96873	3.6
153.00691	15.6
153.04070	1.7
153.86673	1.5
157.03406	8.6
157.04553	26.4
158.01259	6.0
158.02919	9.7
160.04524	9.8
161.02943	11.2
171.05031	8.2
172.04570	6.5
174.05989	2.1
174.98695	2.1
175.02611	2.4
175.04185	7.4
175.05658	28.2
175.98502	11.8
176.02330	5.5
176.04054	22.1
176.05862	16.3
177.00883	8.5
178.05553	3.6
181.04758	2.9
189.06070	5.4
190.05594	2.0
192.98775	2.6
193.05162	2.6
193.06703	12.0
194.03477	2.5
194.05109	12.7
194.06886	6.5
198.07214	2.3
199.04257	6.5
199.05946	11.2
199.18895	27.6
217.05354	10.6
217.06876	6.0
217.08734	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	199.0962
Annotation	1-(3,4-Dimethoxyphenyl)ethane-1,2-diol
Peak:m/z	Relative Intensity
51.02315	0.5
53.03871	3.1
55.01794	3.8
55.02080	0.9
55.05431	2.4
56.96490	1.0
57.03359	0.6
57.07018	0.3
59.06054	0.6
61.28069	0.4
65.03863	1.2
67.05416	3.7
68.99737	0.6
69.03348	1.7
69.06978	1.6
70.06528	0.5
70.07349	0.5
70.92676	1.3
72.04441	0.5
74.09634	2.9
77.03862	0.5
79.05482	21.4
79.05901	1.2
79.96551	0.4
80.05764	0.4
81.03371	0.9
81.07044	6.1
83.04893	1.6
83.08537	1.5
83.09005	0.4
85.02853	0.5
86.09622	0.5
91.05470	20.7
93.03345	0.6
93.07033	34.8
95.04957	10.9
95.08514	1.6
97.02851	0.9
97.06525	3.6
98.97510	1.9
100.07559	0.9
103.05450	5.4
103.37284	0.4
105.03333	1.0
105.04432	1.6
105.06963	1.0
107.04945	3.4
107.08539	1.1
109.06468	1.6
111.04448	3.7
111.08072	2.6
115.05362	0.5
116.97205	3.3
116.98568	1.1
119.04890	0.8
121.02832	0.7
121.06490	47.3
122.03586	0.6
122.06786	0.5
123.04360	1.9
123.08054	15.6
125.05924	1.1
127.03900	0.6
128.06174	1.2
131.04939	0.7
131.99477	0.5
134.99632	0.9
135.04407	0.4
135.08014	0.8
137.05960	4.8
139.03893	1.2
139.07523	31.3
140.04655	3.3
140.07977	0.5
141.06862	0.4
143.08487	0.5
148.96156	0.6
149.05959	11.3
152.96921	1.0
153.05449	2.2
155.06992	0.6
156.09358	0.8
157.10133	1.2
163.07532	0.6
166.06213	1.3
167.07018	100.0
168.07312	1.1
170.98039	0.6
171.08015	0.6
171.11549	0.8
175.98477	2.7
177.00684	0.9
181.04961	1.3
181.08577	6.1
182.08109	0.7
185.08118	0.9
199.06010	0.6
199.07605	0.8
199.09697	0.4
199.11366	1.0
199.14941	0.8
199.18889	14.2
200.05313	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01851	1.3
56.05017	3.8
56.96559	34.1
57.03421	2.9
58.99866	2.2
61.02918	2.6
67.82940	1.0
69.03423	4.5
70.57667	2.1
70.58041	2.2
71.04965	1.3
71.95263	4.6
72.08135	1.8
73.02917	5.3
73.18155	1.1
77.00902	1.6
80.05010	4.0
81.03397	2.6
81.98779	0.9
84.04486	1.9
84.96021	3.2
85.02879	6.2
87.04458	1.1
91.05470	4.8
97.02894	7.0
98.97574	100.0
99.04486	1.0
99.97935	1.4
100.02480	3.4
101.00857	4.7
102.00988	1.2
102.02235	1.3
103.05477	2.0
107.04918	2.0
108.04449	5.1
108.08056	1.2
109.02847	2.1
110.97550	3.2
114.06641	1.7
116.98608	88.9
117.98970	1.4
118.03504	4.2
118.96784	1.5
119.01904	20.3
119.04900	3.3
120.02009	11.5
121.01671	2.8
121.06525	1.3
122.03667	2.5
123.03184	1.0
127.03906	3.3
128.98599	3.6
131.00117	1.3
131.01884	8.1
131.04842	1.6
132.05026	1.1
133.03467	3.5
134.03659	1.5
134.99643	58.6
135.03194	2.4
136.00003	1.3
136.04613	2.5
136.07573	4.0
137.02875	8.1
137.05963	27.6
138.03090	2.5
138.06290	2.6
140.00183	2.8
140.02277	1.6
142.03548	1.2
143.01881	3.4
144.99872	5.6
146.99625	4.1
147.01392	1.3
147.04372	5.6
148.04663	1.4
149.02892	5.1
153.00697	11.6
153.04118	1.1
154.03511	4.7
154.08574	1.3
156.06477	1.3
158.01251	6.0
158.99649	6.8
159.01439	1.2
161.01213	2.5
161.02937	6.3
162.03065	1.4
163.07532	2.0
165.00641	1.3
168.01410	5.7
170.99609	1.5
172.04520	5.2
173.02931	1.9
174.06050	1.2
176.00934	2.2
176.02315	2.9
176.04092	4.2
177.00705	11.5
177.02431	8.1
179.00156	1.5
179.07022	1.9
182.02980	1.4
182.04471	17.5
182.08130	1.9
183.08426	2.2
189.00694	1.8
190.05641	2.8
195.01704	3.0
195.03453	3.1
195.05092	2.9
199.18800	1.8
200.02252	1.8
200.03760	7.4
200.05630	2.1
200.10423	2.0
201.02457	1.7
209.05765	1.4
218.05121	5.9
219.01682	2.5
219.03537	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	201.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38869	1.7
53.03923	2.5
55.01851	7.0
55.05490	6.3
56.96564	2.2
57.07063	2.9
60.39873	2.0
60.58361	2.1
67.05495	23.8
69.03405	6.4
69.07041	4.5
71.04990	4.1
71.51914	2.3
71.52291	2.5
73.02903	3.1
79.05476	8.4
81.03394	4.6
81.07047	14.3
83.08571	2.2
85.02886	3.6
91.05473	48.1
93.07032	31.5
95.04932	3.5
95.08593	45.5
97.06464	2.8
101.02359	9.0
105.07020	13.7
107.08585	7.3
109.06494	2.0
109.10140	24.0
111.46207	1.9
113.05997	2.4
115.05405	4.1
117.06989	15.9
117.76924	2.4
118.96750	3.5
119.08566	100.0
120.08898	2.2
123.08036	5.4
127.03911	6.4
128.06200	4.1
129.06967	6.3
130.07777	3.8
131.08540	15.4
133.10129	2.9
137.09596	68.4
138.09972	2.0
142.07697	2.2
143.08592	9.9
145.06454	3.8
145.10100	37.7
147.08000	11.3
148.78398	2.1
155.10652	2.5
157.10060	4.4
158.10933	2.8
159.08090	2.2
159.11678	34.2
165.09081	8.3
171.11624	3.1
173.05971	4.4
173.09665	3.6
173.13251	9.5
183.10170	2.0
183.11705	3.0
201.05402	3.3
201.09198	5.6
201.11194	18.2
201.12776	5.8
201.16354	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1273
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.03937	1.1
55.01864	0.9
55.05493	3.0
57.03428	1.5
57.07069	1.0
60.96709	0.9
65.03950	1.0
67.05497	5.9
69.03413	2.8
69.07048	3.2
70.82082	1.8
70.82417	0.9
71.04974	1.1
72.26700	0.8
79.05486	3.8
81.07060	7.3
83.04977	0.9
85.06539	1.3
91.05481	9.4
93.07043	7.0
95.04959	3.2
95.08591	4.8
97.06495	1.1
99.04426	1.0
101.05950	0.9
103.05486	0.7
103.80837	0.8
105.07023	14.4
107.08617	5.5
109.06501	2.3
109.10197	1.7
113.06000	0.9
115.05450	3.1
116.06232	2.1
117.06993	7.5
119.07785	1.4
119.08569	17.3
121.06487	2.6
121.10124	2.6
123.11693	2.8
125.09702	0.9
127.03871	1.9
128.06195	5.2
129.06999	10.2
130.07782	4.6
131.08557	40.4
133.10123	36.6
133.10925	0.8
141.06952	4.0
142.07776	2.7
143.08554	30.0
143.09697	1.5
144.05722	1.3
144.09344	8.9
145.06444	5.5
145.10110	45.1
147.07982	0.9
147.11696	1.4
153.06941	2.4
155.08513	3.9
156.09311	2.2
157.06477	1.4
157.10120	7.0
158.07312	5.2
158.10901	37.1
159.08060	11.4
159.11685	18.4
160.03972	1.4
160.08755	1.4
161.09599	1.6
165.05518	0.8
165.12735	1.8
168.09312	2.8
171.08044	10.5
171.11673	2.4
172.08832	10.2
172.12448	1.1
173.09654	12.0
173.13252	100.0
174.13605	1.9
183.11703	4.3
185.09604	1.4
186.06795	1.7
186.08707	1.8
186.10387	37.4
187.10838	1.0
201.05478	2.6
201.09201	5.2
201.12732	75.3
201.16344	17.7
202.13060	1.9
202.16788	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1636
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03913	1.1
55.05509	4.1
57.07070	4.1
60.52313	0.7
66.05148	0.7
67.05221	0.8
67.05502	8.4
68.98102	0.9
69.07058	6.3
69.63969	4.8
71.08624	2.1
79.05488	8.4
81.07048	21.2
83.08598	1.6
84.98282	0.9
85.02890	0.9
91.05479	11.7
93.07030	15.8
93.07595	0.7
95.04958	2.0
95.08598	19.5
98.71078	0.7
103.05438	1.7
105.07018	28.5
106.07291	0.8
107.08589	23.2
109.06490	1.0
109.10130	5.5
114.95683	0.8
115.05431	2.0
116.06263	1.1
117.06995	15.9
118.96742	2.2
119.08574	20.8
119.09450	1.0
121.10130	12.4
127.03943	1.4
128.06212	2.5
129.07037	4.5
130.07782	6.4
131.08559	34.3
132.96692	0.9
133.10118	12.1
141.06976	1.0
142.07756	1.8
143.08548	6.9
144.09322	6.0
145.10109	89.4
146.10776	3.6
147.11673	1.5
155.08606	0.8
157.06451	1.7
157.10121	4.4
158.07249	1.7
158.10834	3.0
159.08081	4.3
159.11681	67.0
160.12099	2.7
171.07990	1.2
171.11655	3.4
172.12454	2.2
173.06015	0.9
173.09666	2.2
173.13245	14.1
177.98055	2.0
186.06754	0.9
186.14020	2.7
187.07571	4.6
201.09050	6.0
201.16370	100.0
202.09891	3.6
202.16695	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	201.1637
Annotation	beta-Calacorene
Peak:m/z	Relative Intensity
50.23450	0.2
53.03962	0.3
53.36427	0.3
55.05507	0.4
57.07071	4.9
59.20735	0.2
59.79148	0.2
67.05495	0.8
69.07050	0.6
69.84952	1.4
71.08629	5.4
79.05489	0.5
81.07056	0.6
83.80712	0.2
84.61256	0.2
88.07608	0.6
91.05470	2.9
93.07049	0.6
95.08569	0.2
98.20731	0.3
102.09188	0.3
104.99934	0.3
105.07024	11.6
106.07380	0.4
107.08591	0.7
115.05441	0.7
117.06999	5.8
119.08570	1.6
128.06223	0.7
129.07005	2.1
130.07784	5.8
131.08562	12.0
133.10103	0.5
142.07748	0.5
143.08559	3.3
144.09317	1.9
145.10110	100.0
146.10439	2.6
157.10132	1.5
158.10921	0.6
159.11678	21.3
160.11993	0.4
171.11627	0.3
173.13258	0.7
186.13957	0.5
201.09073	0.5
201.12650	0.3
201.16371	9.4
201.20392	3.2
202.16687	0.5
206.68652	0.2
214.00470	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1636
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
52.63861	0.7
53.03935	1.6
55.05500	4.6
57.03466	0.8
57.07071	4.5
63.37906	0.7
67.05498	8.3
69.07068	5.1
69.85892	4.0
71.08634	1.8
72.93107	0.7
79.05489	8.8
81.07047	17.9
83.08624	2.3
86.55126	0.7
91.05475	14.4
93.07035	19.2
93.45663	0.7
95.01636	2.2
95.04948	2.0
95.08598	19.7
103.05470	1.6
105.06292	1.4
105.07014	28.7
107.08578	20.7
109.10143	7.2
112.64928	0.8
115.05437	2.8
116.06195	1.6
117.07011	15.1
118.96681	0.8
119.08571	20.2
121.10126	11.3
127.03912	0.8
128.06192	2.7
129.06982	6.4
130.07776	7.1
131.08554	42.0
132.09142	0.7
133.10104	10.6
141.03334	1.3
141.06946	2.3
142.07768	2.0
143.08534	7.6
144.09328	6.5
144.94473	0.7
145.06477	3.4
145.10106	92.2
146.10873	3.6
147.11694	1.7
153.06921	0.9
155.08580	2.1
157.10115	7.2
158.07269	4.5
158.10907	3.9
159.08057	2.0
159.11674	65.3
160.12083	2.1
169.06496	1.4
171.11674	3.0
172.12456	1.8
173.05954	2.0
173.09549	2.2
173.13235	20.8
174.13686	0.8
177.98088	1.2
183.11656	1.1
186.06717	3.2
186.10358	1.2
186.14014	2.5
191.06952	1.1
199.14845	1.0
201.03644	1.2
201.05231	4.2
201.09116	13.5
201.12819	4.6
201.16357	100.0
202.16769	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	202.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.05501	0.3
57.98787	0.4
58.99551	0.2
65.03931	0.6
68.05010	0.2
69.98786	0.2
70.06611	0.2
70.99567	0.8
71.36262	0.1
71.36790	0.1
71.51953	0.2
73.02885	0.2
75.02673	0.1
80.04989	0.7
80.60939	0.1
82.15259	0.1
82.99574	0.3
85.01111	3.6
87.02702	0.3
91.04185	0.2
91.05472	0.2
94.07365	0.2
96.04442	0.2
97.01107	0.5
102.03720	0.2
103.02151	0.7
112.02174	5.0
113.02967	0.4
115.02136	0.3
115.05453	0.5
117.05732	0.2
130.06473	0.2
132.08022	0.3
140.01630	3.0
140.03354	0.2
142.06560	0.9
142.07454	0.2
143.07277	1.5
144.04419	0.5
145.05190	1.2
146.10429	0.2
157.01932	1.4
158.02686	1.7
160.07561	12.9
160.12035	0.2
161.08020	0.2
170.02692	12.9
170.05916	1.4
171.03127	0.2
175.07492	0.2
175.09715	0.2
188.03745	100.0
189.04108	1.3
190.04141	0.1
202.05309	11.4
202.08591	1.3
202.10501	0.3
202.16745	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.086
Annotation	Quinoline-2-methanol acetate
Peak:m/z	Relative Intensity
55.01870	0.3
56.96559	0.3
64.01994	0.2
71.52412	0.4
89.03928	0.3
91.05464	0.7
105.07015	0.7
115.05448	5.0
116.06270	0.4
117.05742	2.9
119.40987	0.2
119.52030	0.2
129.06975	0.3
130.06482	1.1
131.08559	0.3
132.08084	2.1
141.06976	0.4
142.06497	5.8
143.07285	12.0
144.04419	5.1
144.05478	0.5
145.05211	11.0
146.10431	0.4
158.09647	0.9
160.07558	100.0
161.06006	0.4
161.07921	1.9
162.06711	0.3
169.01663	0.3
170.05989	10.1
171.06310	0.3
173.05777	0.3
174.09053	0.3
174.13680	0.3
175.07506	0.6
179.00070	1.4
188.06924	0.5
197.01199	3.8
202.08609	10.4
202.10555	0.5
202.16670	0.7
203.07051	0.5
203.08856	0.3
215.02271	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1064
Annotation	Ligujapone
Peak:m/z	Relative Intensity
53.03941	0.7
55.05494	2.4
57.07059	0.7
60.04502	1.2
60.04794	0.6
60.15644	0.6
65.03920	0.7
67.05235	0.5
67.05505	6.1
68.05016	1.0
68.78816	0.5
69.07068	4.4
70.56937	1.7
70.57315	1.0
76.99738	0.6
79.05489	4.3
81.07053	10.9
83.08612	1.8
84.04492	1.2
84.17439	0.6
91.05470	11.0
93.07034	7.4
95.04956	1.0
95.08599	21.0
96.04465	1.3
97.02895	1.5
103.05459	2.5
105.07027	28.1
107.04989	1.3
107.08582	8.6
109.10143	11.3
114.05518	0.9
115.05431	3.5
116.06213	1.2
117.07004	6.5
119.04913	1.0
119.08582	22.2
121.06483	1.5
121.10126	7.7
123.11675	2.3
126.05488	1.5
128.06216	18.0
129.06998	3.9
130.07747	0.8
131.04890	2.6
131.08553	3.6
132.05721	0.8
133.06480	2.2
133.10126	16.1
135.08102	0.7
135.11664	1.7
141.06963	1.5
142.07756	2.6
143.08551	35.7
144.05699	1.2
144.09033	0.8
145.06473	16.0
145.10089	5.8
146.07271	9.5
147.08102	2.9
147.11674	24.6
155.06024	1.2
157.06465	2.1
157.10161	1.0
158.07260	1.2
159.04356	0.7
159.08038	3.3
160.08810	9.0
160.12445	1.1
161.05963	1.0
161.08322	1.7
161.09578	11.4
161.13252	7.6
162.06750	5.0
163.07526	0.9
167.08632	0.7
171.08034	18.7
172.08818	11.0
173.05978	15.1
174.06720	2.5
174.14075	0.7
175.07533	14.8
175.11183	5.1
175.14819	3.9
187.07536	2.0
188.08308	70.9
189.07886	2.6
202.09799	0.8
203.10655	100.0
203.17940	30.7
204.10109	11.9
204.13783	1.0
223.02751	0.7
224.03482	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1064
Annotation	Tremetone
Peak:m/z	Relative Intensity
55.05484	0.5
61.01820	0.5
67.05474	1.3
69.07053	1.5
71.19905	1.2
75.23856	0.4
79.05470	0.9
81.07032	2.7
83.08597	0.7
84.04502	0.8
91.04977	0.5
91.05457	2.8
93.07040	1.3
95.04079	0.4
95.08593	3.8
100.77872	0.4
105.07015	5.7
106.28024	0.4
107.08567	1.5
109.10126	2.3
115.05434	1.5
117.07004	1.8
119.08568	4.9
121.10121	1.8
123.11665	1.3
126.05494	0.9
128.06207	11.4
129.06952	1.8
130.07695	0.8
131.08537	0.9
132.09369	0.5
133.10086	3.4
135.11688	0.6
141.06947	1.0
142.07716	2.8
143.08549	34.0
144.09299	0.5
145.06473	10.8
145.10103	5.4
147.11685	6.4
153.27641	0.4
155.08556	0.7
157.06477	2.0
157.10092	0.7
158.07234	0.8
159.08008	3.2
160.08829	6.7
161.09531	0.5
161.13202	1.6
171.08031	13.7
172.08812	11.5
173.05971	15.5
175.07553	0.7
175.11165	3.4
185.09607	0.7
187.07513	1.3
188.08302	92.1
189.08664	2.4
203.10649	100.0
203.17963	6.2
204.09134	0.5
204.10909	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1064
Annotation	Ligujapone
Peak:m/z	Relative Intensity
55.05490	1.9
57.07050	0.6
58.54455	0.6
66.75992	0.7
67.05485	2.7
69.07073	3.0
69.72320	4.0
71.02502	0.8
75.53096	0.6
79.05483	1.8
81.07045	7.3
91.05460	6.3
93.07004	2.6
95.08600	10.3
97.02938	0.7
103.05454	2.6
105.07018	16.2
107.04943	2.0
107.08591	6.0
109.10139	7.4
114.05505	0.6
115.05437	3.8
116.06300	0.7
117.07026	5.1
119.04893	1.5
119.08565	12.3
121.06487	1.8
121.10133	4.3
123.11665	1.7
126.05515	1.5
128.06206	15.1
129.06950	2.9
129.88155	0.8
131.04941	3.3
131.08537	1.8
132.05630	0.8
132.09317	0.8
133.06488	2.1
133.10104	8.8
135.11679	0.9
141.07022	1.1
142.07727	2.7
143.08542	35.7
144.05690	0.8
144.09145	0.9
145.06464	15.5
145.10098	5.5
146.07262	9.5
147.08005	2.3
147.10640	1.1
147.11678	12.7
155.06021	1.2
157.06496	1.6
158.07263	1.2
159.08049	3.7
160.05161	1.2
160.08821	8.9
160.12527	0.9
161.06009	1.3
161.08318	3.3
161.09601	11.9
161.13213	4.6
162.06750	4.5
171.08044	20.2
171.09508	1.0
172.08812	8.2
173.05969	14.9
174.06735	1.9
175.07520	15.6
175.11171	6.1
175.14838	2.1
185.09528	1.1
187.07529	1.5
188.08304	69.6
189.07869	3.5
203.10646	100.0
203.17950	16.8
204.10124	14.8
204.13750	0.9
224.03552	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1065
Annotation	Ligujapone
Peak:m/z	Relative Intensity
51.18015	0.8
55.05510	4.4
57.07056	1.3
60.04520	0.9
67.05493	8.4
67.89232	0.9
69.07071	6.0
69.49539	7.2
74.69754	0.8
79.05481	4.9
81.06606	1.0
81.07054	16.1
83.08607	2.2
84.04494	2.1
91.05477	8.9
93.07047	6.7
95.08600	24.0
96.04449	1.4
97.02883	2.8
97.10169	0.8
105.07024	37.1
107.08583	12.0
109.10149	15.9
111.51354	0.9
114.05470	1.1
115.05445	2.3
117.06982	2.3
119.08574	25.7
121.10130	8.3
123.11690	3.5
126.05503	2.7
128.06219	10.0
129.06979	2.9
130.07770	1.0
131.08545	3.1
132.14066	0.9
133.10114	23.7
135.11655	2.4
141.06934	1.9
142.07797	2.4
143.08542	33.3
145.06474	11.4
145.10112	7.6
145.74103	1.1
147.11674	31.7
155.06041	1.0
157.06447	3.0
157.10167	1.3
158.07275	2.0
159.08044	3.5
159.11681	2.5
160.08870	5.7
160.12471	2.8
161.09607	1.8
161.13254	9.6
170.10776	1.0
171.08060	12.5
172.08833	11.2
173.05966	17.2
175.07423	1.1
175.11163	3.2
175.14839	5.9
187.07607	1.3
188.08310	93.7
189.08586	1.6
203.07274	2.5
203.10652	100.0
203.14488	3.0
203.17940	38.3
204.08620	1.5
204.11012	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1065
Annotation	Tremetone
Peak:m/z	Relative Intensity
55.01857	0.4
55.05512	1.8
57.07057	0.6
58.82814	0.3
60.04517	1.1
61.32022	0.3
63.37165	0.3
63.69184	0.4
67.05492	3.4
68.05027	0.6
69.07068	2.2
69.32629	3.6
79.05482	2.1
81.03436	0.4
81.07056	7.2
83.08615	1.1
84.04500	1.4
85.02908	0.5
91.05470	5.3
93.07035	3.3
93.35466	0.3
95.08597	11.4
96.04487	1.1
97.02875	1.3
103.05449	0.5
105.07018	14.0
107.08598	5.2
109.06481	0.6
109.10139	5.8
110.06152	0.4
114.05501	1.2
115.05431	3.9
117.07011	3.1
119.08569	9.1
121.10123	3.7
123.11706	1.4
126.05508	2.0
128.06206	7.7
129.06990	8.8
130.07808	0.7
131.04909	1.0
131.08560	2.1
132.05751	0.8
133.06483	0.8
133.10115	8.8
135.11659	1.1
141.06960	1.5
142.07759	1.8
143.04918	1.5
143.08546	6.7
144.05699	0.7
144.09378	0.5
145.06474	15.3
145.10124	2.4
146.06784	0.4
147.08037	1.5
147.11671	16.4
156.05672	2.7
157.06473	11.0
157.10117	1.1
158.07242	5.3
159.08028	5.3
159.11707	1.2
160.05209	1.7
160.08842	3.3
160.12488	0.5
161.05965	1.6
161.09633	0.9
161.13240	4.7
169.06342	0.5
171.04378	0.5
171.08018	1.6
172.08815	38.0
173.05966	31.0
173.09381	1.5
174.06467	0.4
175.07550	3.3
175.11134	0.5
175.14810	1.5
185.09569	0.6
185.13197	0.8
187.07564	1.4
188.04861	2.8
188.08304	95.9
189.08685	2.5
203.07230	6.8
203.10646	100.0
203.14139	2.5
203.17928	19.6
204.08815	0.9
204.10953	2.4
204.13812	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.5
53.96649	1.0
55.01842	1.1
55.05506	6.2
57.03406	2.7
57.07055	1.7
60.04514	5.7
61.88062	0.9
65.03913	1.3
67.05503	6.3
68.05005	3.6
69.03419	2.4
69.07056	6.4
69.16132	0.9
70.26482	2.0
70.26891	2.6
71.04975	1.5
77.03915	1.3
79.05479	6.6
81.03377	1.2
81.07043	16.7
83.04959	3.4
83.08601	2.2
84.04491	5.5
85.02895	2.8
91.05470	19.1
93.07030	10.3
95.04953	3.3
95.08597	16.2
96.04492	5.8
97.02879	7.0
103.05456	2.4
105.07017	47.5
106.07311	1.2
107.04973	1.1
107.08569	9.2
109.06513	3.1
109.10129	7.4
110.06034	1.5
114.05528	5.7
115.05396	5.2
116.06192	1.1
117.06992	10.4
119.04977	1.5
119.08569	29.0
121.10117	6.0
123.11646	2.2
126.05503	8.5
128.06206	13.3
129.06987	26.9
129.91939	1.0
130.07816	5.0
131.08549	28.6
132.05675	1.4
133.06458	2.2
133.10117	21.0
138.05499	1.7
141.06960	6.3
142.07764	32.4
143.08546	39.4
144.09315	14.0
145.06439	3.7
145.10107	35.0
146.10930	2.0
147.04376	3.4
147.08038	6.9
147.11673	21.2
155.08540	8.1
156.09349	10.0
157.06586	4.6
157.10107	100.0
158.10585	2.7
159.08035	1.9
159.11670	63.1
160.05139	2.9
160.12184	1.3
161.05914	2.0
161.09598	7.1
161.13232	8.4
162.10287	1.7
168.06548	1.9
170.10873	9.6
171.08038	2.1
171.11725	1.4
172.12445	11.7
173.13222	7.4
174.06755	1.3
175.03783	1.1
175.07545	8.1
175.11197	2.9
175.14818	8.5
185.05965	3.9
185.13234	40.7
186.07671	1.1
186.13574	1.2
188.04688	1.7
189.11414	1.3
203.03368	3.2
203.05238	2.1
203.06982	14.5
203.10576	7.3
203.14290	75.4
203.17889	16.2
204.08676	6.3
204.13895	3.4
223.61189	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1429
Annotation	Dehydrochamecynenol
Peak:m/z	Relative Intensity
53.03919	2.5
53.96649	1.0
55.01842	1.1
55.05506	6.2
57.03406	2.7
57.07055	1.7
60.04514	5.7
61.88062	0.9
65.03913	1.3
67.05503	6.3
68.05005	3.6
69.03419	2.4
69.07056	6.4
69.16132	0.9
70.26482	2.0
70.26891	2.6
71.04975	1.5
77.03915	1.3
79.05479	6.6
81.03377	1.2
81.07043	16.7
83.04959	3.4
83.08601	2.2
84.04491	5.5
85.02895	2.8
91.05470	19.1
93.07030	10.3
95.04953	3.3
95.08597	16.2
96.04492	5.8
97.02879	7.0
103.05456	2.4
105.07017	47.5
106.07311	1.2
107.04973	1.1
107.08569	9.2
109.06513	3.1
109.10129	7.4
110.06034	1.5
114.05528	5.7
115.05396	5.2
116.06192	1.1
117.06992	10.4
119.04977	1.5
119.08569	29.0
121.10117	6.0
123.11646	2.2
126.05503	8.5
128.06206	13.3
129.06987	26.9
129.91939	1.0
130.07816	5.0
131.08549	28.6
132.05675	1.4
133.06458	2.2
133.10117	21.0
138.05499	1.7
141.06960	6.3
142.07764	32.4
143.08546	39.4
144.09315	14.0
145.06439	3.7
145.10107	35.0
146.10930	2.0
147.04376	3.4
147.08038	6.9
147.11673	21.2
155.08540	8.1
156.09349	10.0
157.06586	4.6
157.10107	100.0
158.10585	2.7
159.08035	1.9
159.11670	63.1
160.05139	2.9
160.12184	1.3
161.05914	2.0
161.09598	7.1
161.13232	8.4
162.10287	1.7
168.06548	1.9
170.10873	9.6
171.08038	2.1
171.11725	1.4
172.12445	11.7
173.13222	7.4
174.06755	1.3
175.03783	1.1
175.07545	8.1
175.11197	2.9
175.14818	8.5
185.05965	3.9
185.13234	40.7
186.07671	1.1
186.13574	1.2
188.04688	1.7
189.11414	1.3
203.03368	3.2
203.05238	2.1
203.06982	14.5
203.10576	7.3
203.14290	75.4
203.17889	16.2
204.08676	6.3
204.13895	3.4
223.61189	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.20056	1.4
55.05516	12.1
56.78716	1.2
57.07053	4.5
64.46478	2.1
67.05498	21.2
69.07059	18.8
74.75230	1.6
79.05489	10.3
81.06586	2.7
81.07044	41.8
83.08597	4.3
91.04960	2.1
91.05470	21.2
93.07035	19.5
94.84624	1.4
95.08593	50.1
97.02850	1.5
97.10192	1.9
105.07018	90.2
107.08585	28.3
109.10139	40.7
109.10754	1.2
117.07003	4.2
119.08567	64.8
121.10126	19.7
123.11675	14.5
125.47734	1.7
131.08545	6.1
133.10114	59.2
135.11676	5.3
143.08443	1.5
145.10129	10.5
147.11668	88.7
159.11707	6.3
160.12460	6.6
161.13235	27.5
174.14014	2.1
175.14799	8.9
175.21640	1.7
188.08307	3.1
203.10641	4.5
203.17934	100.0
204.18304	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	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03941	1.9
55.05507	8.3
57.07069	2.0
67.05493	16.3
69.06715	1.7
69.07063	15.5
69.69667	8.2
72.32747	1.2
79.05489	10.1
79.86529	1.2
81.06583	2.1
81.07050	35.8
83.08588	3.6
91.05470	19.7
93.06494	1.2
93.07045	20.2
95.08596	52.7
97.10134	1.8
105.07023	59.0
107.08589	30.7
109.10148	36.7
115.05520	1.5
117.07023	2.8
119.08574	48.1
121.10139	21.9
123.11727	6.6
131.08565	3.3
133.10121	36.9
135.11678	5.4
143.08551	2.1
143.27940	1.2
145.10114	9.4
147.11676	83.2
148.12170	1.3
157.79340	1.1
159.11626	2.6
160.12456	5.1
161.13246	26.1
173.05969	1.5
173.57127	1.1
175.07469	2.4
175.14809	5.6
184.31647	1.3
188.08273	4.1
203.10664	3.6
203.17932	100.0
204.18288	2.4
207.25674	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03935	1.2
55.05502	9.5
55.73832	1.0
56.01290	1.0
56.45660	1.0
57.07054	4.7
61.37622	1.1
65.03912	1.6
67.05497	20.0
69.07063	15.7
70.97052	2.2
76.32890	1.0
79.05486	12.8
81.07049	43.7
83.08602	4.9
91.05469	23.6
93.06480	1.4
93.07028	17.0
95.04972	1.3
95.07980	2.5
95.08598	47.4
97.10140	1.4
103.05427	1.6
103.65630	1.2
105.07021	95.8
106.07359	1.9
107.08583	23.3
109.10146	41.0
117.06991	2.0
119.08570	61.1
120.08900	1.4
121.10133	25.6
123.11703	13.4
131.08551	5.2
132.09233	1.3
133.10114	51.3
135.11649	4.1
137.31512	1.0
145.10078	7.8
147.11671	100.0
148.12051	2.2
159.11639	3.3
160.12422	5.7
161.11987	1.9
161.13243	25.0
167.34789	1.1
173.05956	1.3
175.14810	5.2
188.08316	3.3
203.10648	2.9
203.17937	98.9
204.13815	1.8
204.18263	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	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05505	7.5
57.07046	4.2
57.98545	1.2
67.05182	1.2
67.05501	15.8
69.07059	12.6
71.01829	2.6
71.02146	1.1
71.55296	1.2
73.13766	1.5
79.05482	9.3
81.06586	2.2
81.07044	35.7
82.82755	1.1
83.08582	3.7
88.71686	1.1
89.99059	1.2
91.05476	16.6
93.07037	15.6
95.08598	43.4
97.10130	1.5
105.07019	100.0
107.08578	20.1
109.10149	32.7
117.07016	2.2
119.08565	54.4
121.10129	18.1
123.11704	7.5
131.08553	3.5
133.09105	2.9
133.10117	54.4
135.11681	2.3
145.10120	5.9
147.11667	68.6
159.11658	3.2
160.12497	2.3
161.13237	25.4
175.14790	11.8
201.76009	1.4
203.17929	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03931	1.9
55.05508	9.3
57.07054	4.4
59.85881	1.4
67.05176	1.3
67.05495	14.2
69.07063	14.0
71.42266	2.0
79.05476	6.3
81.06580	2.1
81.07042	26.6
83.08606	3.1
91.05469	18.7
93.07031	10.2
95.08596	33.4
105.07018	100.0
106.07352	2.3
107.08579	16.6
109.10140	26.2
117.07005	3.2
119.07688	2.4
119.08558	42.0
121.10120	13.5
123.11675	4.5
123.13866	1.2
131.08531	3.6
133.10114	37.4
135.11668	3.1
142.81816	1.3
145.10081	5.2
147.11662	56.2
150.33582	1.2
159.11632	2.9
161.13228	20.6
162.13577	1.5
175.14792	9.9
188.15540	1.5
203.17931	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.85207	1.2
53.03930	1.5
53.13564	1.2
55.05510	13.3
57.07074	2.9
57.29617	1.3
62.21240	1.2
67.05503	22.9
69.07060	18.5
71.01978	3.0
72.33047	1.2
79.05485	10.2
81.07047	34.6
83.08590	3.9
84.48489	1.2
91.05464	25.3
93.07037	22.2
95.04937	1.8
95.08600	47.9
97.10114	1.5
105.07019	100.0
107.08586	24.8
109.06488	1.6
109.10144	42.1
117.06984	5.1
119.08567	58.1
120.08852	1.9
121.10136	25.1
123.11687	16.8
131.08569	6.3
133.10121	47.9
135.11673	6.1
145.10115	7.6
147.11670	87.5
148.12062	1.6
159.11664	4.0
160.12427	3.5
161.13234	23.8
161.14461	2.4
174.71455	1.6
175.13541	1.5
175.14789	9.7
203.17929	90.6
204.18228	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03933	0.9
55.05505	5.4
57.07071	1.1
65.03934	0.8
67.05501	17.1
68.19646	0.6
69.07064	7.8
70.87743	1.6
79.05492	7.0
81.07050	27.7
83.08603	1.8
91.05472	10.4
93.06474	1.5
93.07036	21.4
95.08600	62.1
105.07020	39.5
107.08586	36.6
109.10148	39.7
119.08574	33.9
120.31331	0.6
121.10139	17.8
121.22852	0.7
123.11706	8.0
131.08553	0.7
133.10118	26.2
135.11656	3.3
145.10094	1.3
147.11674	41.4
148.12141	0.8
161.13243	16.1
174.10645	0.7
175.14821	9.8
203.17938	100.0
204.18298	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	203.1793
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05505	10.5
57.07057	3.9
65.03927	1.3
67.05177	1.5
67.05499	18.5
69.07059	19.1
71.07643	2.1
73.20741	0.9
79.05490	9.6
81.06593	1.9
81.07051	34.2
83.08613	5.1
91.04964	1.6
91.05476	18.1
93.07032	16.9
95.04967	1.0
95.08598	46.2
96.08954	1.3
97.10166	1.3
105.07020	100.0
106.07341	1.3
107.08579	23.8
109.10143	43.2
115.05432	2.9
117.06998	4.5
119.08569	67.6
120.08884	1.6
121.09301	1.6
121.10119	15.7
123.11697	11.6
126.29317	1.2
128.06223	10.9
129.06943	3.1
131.08545	8.0
133.10117	53.6
135.11673	4.5
141.06870	1.6
143.08534	10.6
145.06490	3.6
145.10091	9.6
147.11671	74.1
156.05655	1.5
157.06500	1.7
158.07259	1.1
159.08055	1.1
159.11656	5.5
160.05179	3.5
160.08800	1.2
160.12462	5.5
161.13249	26.2
171.08032	6.8
172.08775	6.6
173.05998	6.9
173.13257	1.6
174.06737	4.6
175.07547	5.9
175.14822	8.6
187.10034	1.3
188.08299	20.1
188.15692	1.4
203.06996	2.6
203.08847	1.9
203.10670	24.6
203.17934	85.4
204.11021	1.1
204.18268	2.8
223.04160	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03931	1.7
55.05507	7.3
57.07075	4.4
67.05502	13.3
69.07056	11.4
70.58766	1.9
70.59116	1.5
77.03905	0.9
77.48401	0.9
79.05485	7.1
81.07049	26.2
83.08601	4.1
91.05466	15.3
93.07030	11.6
95.04933	1.0
95.08597	34.5
97.10125	1.1
103.05409	1.0
105.07019	100.0
107.08576	16.4
109.10145	26.4
112.21406	1.2
117.06963	3.8
119.08569	54.8
120.08937	1.2
121.10129	14.5
123.11715	6.9
129.06981	1.4
131.08528	6.9
133.10112	57.4
135.11671	3.7
145.10112	7.0
147.11671	56.4
147.12624	1.1
159.11661	2.6
159.18944	0.9
160.12463	3.3
161.13235	20.1
165.78587	1.0
173.59337	0.9
175.14777	10.5
188.08322	4.0
203.10683	3.4
203.17931	56.5
204.18306	1.1
212.88849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.57911	1.5
53.06199	1.6
55.05511	12.9
57.07061	5.0
67.05501	21.6
69.06721	1.9
69.07062	18.5
69.42101	5.7
69.42529	6.6
79.05499	8.6
81.07053	26.0
83.08611	5.3
84.04516	1.8
91.05473	16.9
93.07042	17.4
95.08604	55.7
97.02856	1.8
97.10157	1.9
99.77705	1.4
103.05436	2.2
105.07027	95.9
105.51365	1.3
107.07966	2.2
107.08598	23.6
109.10152	42.1
117.07012	3.7
118.07745	1.7
119.08576	80.6
121.10130	21.7
123.11662	10.8
128.06213	2.6
131.08566	8.8
133.10129	59.4
134.10353	1.6
135.11679	4.3
143.08521	2.5
145.06461	1.8
145.10107	11.6
147.11681	75.4
148.12315	1.7
159.11678	6.1
160.12489	6.5
161.13257	29.8
171.08063	1.7
172.08794	4.1
173.06075	3.0
174.13867	2.4
175.14838	8.3
188.08305	17.6
203.10655	18.1
203.17949	100.0
204.13953	1.7
204.18349	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	203.1793
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.23024	1.1
54.50956	1.4
55.05504	9.6
57.07071	5.8
67.05497	14.3
69.07059	13.7
70.78147	3.0
79.05469	6.2
79.32327	1.1
81.07046	30.4
83.08586	4.1
84.04485	1.9
91.05462	13.6
91.81981	1.1
93.07033	12.9
95.04956	1.2
95.08594	42.7
96.04465	1.5
97.10198	1.8
98.20713	1.1
105.07017	100.0
107.08585	17.5
109.10137	30.1
111.18565	1.1
115.05471	1.2
117.06997	2.9
119.08569	57.0
121.10134	17.2
123.11694	9.1
126.05528	1.7
131.08542	4.2
133.10112	61.7
134.95316	1.1
135.11653	4.1
145.10138	7.9
147.11667	66.7
148.12180	1.1
152.14769	1.1
152.16153	1.0
158.19469	1.2
159.11687	3.5
160.12460	3.5
161.13251	22.2
165.33934	1.1
172.08786	1.6
174.14017	1.3
175.14786	13.2
188.08337	2.8
203.10580	6.1
203.17931	71.6
204.08595	1.2
204.13815	1.3
204.18282	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03932	1.8
55.05498	6.7
57.07077	4.2
67.05500	15.5
69.06734	1.1
69.07068	15.7
71.24582	1.3
79.05483	8.5
81.07051	27.2
83.08602	3.7
83.94462	0.9
91.04964	1.6
91.05476	18.4
93.07030	14.9
95.08598	34.6
97.10133	1.0
103.05473	1.4
105.07021	100.0
106.07302	1.5
107.08589	19.7
109.10147	28.3
117.07020	1.8
119.08569	44.8
121.10138	17.5
123.11685	9.9
131.08586	4.6
132.09341	0.9
133.10117	41.8
135.11667	4.0
145.10098	6.5
147.11676	69.1
156.22969	1.0
159.11621	2.7
160.12445	3.9
161.13243	20.9
161.14595	1.3
161.83162	0.8
174.14148	1.4
175.14806	11.5
188.15526	1.1
203.17938	67.0
204.18350	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0857
Annotation	Eriosematin F
Peak:m/z	Relative Intensity
53.03913	0.6
55.01880	0.8
55.05504	0.9
57.07058	1.4
65.03937	1.0
66.45221	0.6
67.05494	0.9
68.80582	0.6
68.99807	0.6
69.03411	1.7
69.07062	1.0
69.58900	3.4
69.90092	0.5
79.05482	1.5
81.03407	1.4
81.07036	2.4
85.02888	1.6
91.05468	8.1
93.07053	2.8
95.04963	0.8
95.08592	1.9
96.04491	0.7
97.02907	2.8
98.20852	1.2
98.97591	0.6
99.04433	0.8
102.04663	1.9
103.05457	7.4
105.07028	4.9
107.04899	0.8
107.08569	2.1
109.02849	1.7
109.06554	0.9
109.10234	0.6
115.05443	56.6
116.06281	1.2
117.07007	60.0
118.07322	1.8
119.08559	2.5
121.02863	2.6
121.06505	1.7
121.10129	1.7
127.03886	1.3
127.05376	1.5
128.06215	0.8
129.06981	1.6
130.04129	4.9
130.07869	0.7
131.04910	2.3
131.08548	3.1
132.05751	0.9
133.10103	0.8
135.11641	0.9
143.04860	1.1
144.05699	1.7
144.09351	1.1
145.06470	100.0
145.10104	5.4
146.06873	1.7
147.04413	1.6
147.11679	1.5
149.02316	10.9
149.06052	0.8
149.13318	0.7
155.04993	0.7
155.06020	18.4
159.04387	0.9
159.08046	1.5
159.11699	4.3
161.05949	6.3
161.13194	0.7
163.07495	0.6
163.11157	1.4
173.05963	59.0
174.06355	1.4
175.03784	1.0
175.11240	0.6
177.05411	0.9
177.09041	0.9
177.12653	0.8
178.08621	0.7
178.92061	0.6
187.07538	2.2
187.11139	2.1
187.14803	1.2
190.06221	9.7
205.04933	1.8
205.08597	15.1
205.12241	4.7
205.14053	1.0
205.15860	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	205.0969
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
69.03405	0.6
70.81999	1.0
74.02436	1.9
86.35069	0.5
89.21729	0.5
91.05492	2.2
97.02919	0.7
102.14118	0.5
103.05504	0.5
103.88071	0.7
109.02918	0.6
115.05434	3.2
117.05753	2.2
117.07021	3.3
118.06525	45.3
130.06548	3.8
132.08078	11.7
132.09019	1.1
132.49298	0.6
142.06522	3.9
143.07268	7.8
144.04445	1.2
144.08069	22.8
145.06505	0.8
146.05992	100.0
147.06363	1.1
149.02289	2.5
155.06052	0.6
159.09160	9.9
160.07579	1.5
166.90425	0.5
170.05992	8.2
187.07439	0.8
188.07045	82.7
189.07381	1.9
205.08794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1221
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
55.05498	0.9
57.07074	3.7
65.03926	1.6
65.16735	0.4
67.05479	1.1
67.61807	0.4
69.03394	1.5
69.07043	1.6
69.82442	2.2
70.38332	0.5
79.05500	2.0
81.03398	1.0
81.07045	2.0
85.02868	1.3
91.05474	3.9
92.04962	0.4
93.03392	0.4
93.07041	2.4
95.04930	0.8
95.08584	1.6
97.02878	4.4
97.04787	0.5
98.03168	0.5
98.21476	0.5
100.52982	0.4
103.05435	1.5
105.07028	4.3
107.04926	1.5
107.08574	2.7
109.02862	1.8
109.06519	0.7
109.10119	1.1
115.05415	3.2
116.06188	0.5
117.07018	3.3
119.08589	3.6
121.02888	2.0
121.06499	4.9
121.10131	1.4
123.08059	0.5
123.11728	0.5
126.05455	0.6
127.03936	1.0
127.05812	0.6
128.06203	1.2
129.06961	1.5
130.07753	1.6
131.04926	2.1
131.08545	5.4
132.05696	0.6
133.06487	1.1
133.10092	0.7
134.03624	1.0
135.04422	0.6
135.08037	3.3
135.11655	0.9
137.05952	2.0
141.06966	0.5
142.07756	0.5
143.04897	1.3
143.08553	2.5
144.05684	3.9
145.06453	5.2
145.10115	3.4
146.07251	1.7
147.04419	0.4
147.08025	6.4
147.11743	0.7
149.02328	16.4
149.05968	2.0
149.09589	1.5
149.13274	0.8
151.07527	3.3
155.05986	1.2
157.06491	0.6
157.10176	0.5
158.07281	3.9
159.08035	48.1
159.11649	1.5
160.08670	1.3
160.10271	0.4
161.05963	3.9
161.09592	2.3
162.06673	0.4
162.10350	0.8
163.07458	2.1
163.11194	1.0
165.09088	0.6
172.08835	0.8
173.05946	2.2
173.09616	7.8
174.10384	81.8
175.07533	14.1
175.11037	3.7
176.08322	4.8
177.09074	3.6
177.12703	0.8
181.97879	0.5
187.11179	1.0
187.14868	1.1
189.09103	0.9
190.06281	0.7
190.09894	19.8
205.04961	1.4
205.08611	6.0
205.12225	100.0
205.15845	3.3
206.08199	0.5
206.12642	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1221
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
54.68844	0.3
55.01859	0.3
57.07062	0.7
67.05497	0.6
70.87190	0.3
70.87531	0.5
79.50381	0.2
81.07050	0.3
91.05455	1.9
93.06970	0.3
95.04899	0.3
97.02842	0.3
103.05464	0.4
105.07002	0.7
107.04935	0.5
107.08614	0.3
107.69813	0.2
115.05412	1.2
117.07024	1.0
119.08583	1.6
121.06493	2.3
128.06235	0.5
129.07007	0.7
130.07780	0.5
131.04910	0.9
131.08533	1.7
133.06482	1.1
134.03622	0.4
135.08046	1.0
137.05962	1.7
143.04892	0.8
143.08556	1.4
144.05659	1.8
145.06468	1.2
145.10104	0.8
146.07225	1.3
147.08034	4.5
148.05145	0.4
149.02351	1.2
149.05998	1.2
151.07564	2.6
158.07259	2.5
159.08034	29.8
160.08734	0.8
161.05945	2.4
161.09593	1.3
162.06746	0.5
163.07523	1.1
165.08998	0.4
173.09608	5.4
174.10382	60.4
175.07535	8.7
175.10968	2.5
176.08315	2.3
177.09084	1.9
187.14894	0.3
189.09085	0.7
190.06313	0.5
190.09871	13.9
203.10664	0.3
205.12216	100.0
206.12695	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1221
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
55.01888	0.6
55.36964	0.6
55.57933	0.7
57.07078	5.1
65.03941	1.4
67.05475	1.3
69.03414	1.4
69.07048	1.1
69.66613	0.7
70.78396	1.2
73.62079	0.6
79.05470	2.2
81.03370	1.3
81.07048	2.6
83.04958	0.9
84.04488	0.7
85.02873	1.3
85.04811	0.6
91.05476	5.8
93.07029	1.8
95.08578	1.9
97.02898	4.4
97.04759	0.8
98.03219	1.3
98.20856	0.7
99.04411	0.7
102.04661	0.6
103.05455	6.9
105.07022	12.7
107.04971	0.9
107.08564	2.7
108.33048	0.6
109.02848	2.2
109.10134	0.9
115.05375	3.1
116.06210	1.4
117.07008	13.4
117.07830	0.9
119.08557	2.1
121.02846	2.9
121.06493	2.6
121.10114	2.3
123.11743	1.5
124.56516	0.6
126.97498	0.6
127.03901	0.7
127.05826	1.8
128.06218	1.7
129.06950	2.6
130.04070	0.9
130.07764	11.2
131.04915	19.9
131.08546	2.2
133.06465	1.5
135.07996	1.5
135.11678	0.8
137.05936	3.3
139.93616	0.7
141.14978	0.7
143.08554	3.0
144.05673	8.1
145.04803	0.8
145.05165	0.7
145.06467	27.0
145.10106	53.8
145.23343	0.7
147.04425	1.4
147.08043	2.0
147.11691	1.3
148.05219	3.4
149.02322	24.8
149.03506	1.5
149.05928	1.4
149.09598	1.3
149.13237	0.8
151.07565	1.0
155.06018	1.1
155.08566	4.4
158.07262	13.5
159.08008	5.8
159.11647	1.5
161.05989	6.7
161.13283	0.7
162.06697	2.5
163.07513	8.9
163.11148	1.3
172.08780	0.9
173.09601	66.9
174.10391	10.1
175.07529	3.9
175.08829	0.6
176.08328	7.3
177.09085	2.5
177.12715	1.9
185.57869	0.7
187.11307	0.8
187.14749	1.4
190.06241	1.4
190.09898	5.0
203.10596	0.9
205.04900	1.6
205.08618	6.3
205.12221	100.0
205.13901	4.0
205.15848	5.2
206.12558	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1949
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03933	2.0
55.05511	27.3
57.07072	8.6
62.23767	1.2
67.05187	1.4
67.05507	22.9
69.07064	43.0
70.42622	4.6
71.08604	3.1
75.22749	1.0
79.05486	18.0
79.53129	1.4
81.07049	62.6
83.08612	19.5
89.27713	1.3
91.05469	10.0
91.61480	1.3
93.07039	77.2
95.04951	2.2
95.08604	60.2
97.02951	1.6
97.10168	16.3
105.06998	7.9
107.08589	80.8
107.67703	1.5
109.06523	1.6
109.10150	61.3
111.11713	5.3
119.08540	2.0
121.10138	100.0
122.10474	2.8
123.08057	1.4
123.11691	30.9
135.11688	57.4
137.13277	3.4
149.02280	1.8
149.13254	91.5
150.13577	1.9
161.13307	1.8
163.14815	15.0
205.12231	2.2
205.19518	60.3
206.19832	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1949
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03923	1.2
55.05504	15.8
55.47887	1.0
57.07068	6.9
67.05495	14.6
69.07061	25.4
69.75263	6.8
71.08610	3.0
77.50745	1.0
79.05483	16.0
81.07049	61.0
82.07404	1.3
83.08618	10.1
84.22192	1.3
91.05456	9.0
93.07031	61.2
95.04951	1.2
95.08598	41.0
97.10172	9.1
105.07018	6.0
107.08584	46.5
109.06445	1.1
109.10146	35.9
111.11705	2.6
119.08562	1.4
121.10130	100.0
122.10439	2.2
123.11713	14.0
127.93176	1.1
135.10690	2.1
135.11679	32.5
136.12073	1.1
137.13251	2.3
149.02342	3.0
149.13245	55.1
150.13560	1.8
163.14833	7.4
205.19502	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1949
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03939	2.1
55.05506	17.3
57.07070	5.6
65.03940	1.5
66.89934	0.9
67.05498	18.3
69.07063	23.3
69.14454	0.8
69.66034	0.8
71.08602	1.4
71.13846	0.8
79.05486	16.9
81.07050	41.8
82.07372	1.2
83.08620	14.1
91.05468	7.1
93.07036	64.5
95.04945	2.7
95.08598	42.8
97.10158	8.8
100.33177	0.9
105.07021	4.9
107.08587	58.2
108.08911	1.6
109.06506	0.8
109.10150	41.2
111.11697	3.0
112.90067	0.9
119.08556	1.8
121.06484	3.2
121.10134	49.0
122.10459	1.0
123.11688	18.3
130.74007	0.8
135.11687	29.5
137.13246	1.9
145.06577	1.2
149.02338	4.5
149.05980	3.6
149.13248	100.0
150.13580	2.7
163.14828	7.1
174.10567	0.9
205.08730	1.0
205.12221	3.4
205.19507	37.8
206.12181	0.9
229.27419	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.05503	18.5
57.07055	5.9
63.04517	1.3
65.42204	1.3
67.05502	18.5
69.06722	2.5
69.07063	32.2
71.01770	3.8
71.08625	2.1
77.03874	1.5
79.05482	17.2
81.07047	69.7
83.08611	13.2
91.05468	7.6
91.05942	1.2
93.07034	69.3
95.04953	1.6
95.08597	46.8
97.10179	11.0
105.07015	7.3
107.08578	54.2
109.10143	39.5
111.11726	3.4
116.62361	1.4
121.10131	100.0
123.11675	19.5
131.81567	1.4
135.11676	32.7
137.13176	2.4
147.11707	2.2
149.02327	7.6
149.13237	66.7
163.14832	8.1
167.19882	1.5
168.90562	1.3
172.72325	1.6
177.16470	1.5
205.19504	33.0
207.21182	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1949
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03940	1.2
55.05507	9.2
57.07061	3.6
60.96439	0.9
67.05502	9.1
69.07066	17.2
71.08616	1.3
71.19023	1.0
71.19336	0.8
79.05480	12.2
81.07049	51.8
83.08622	6.4
86.29388	0.9
91.05463	8.2
93.07037	48.6
95.04947	1.7
95.08601	25.4
97.10155	3.1
105.07018	3.8
107.08583	28.8
109.08143	0.8
109.10153	20.5
111.11705	2.2
119.84750	0.9
121.10134	100.0
122.10478	1.4
123.11680	9.2
135.11678	17.6
145.10065	0.9
149.02354	3.4
149.13252	38.5
163.14841	2.8
170.64243	0.8
183.12601	0.7
205.08607	1.3
205.12195	0.9
205.19522	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09741	0.7
53.03928	1.3
53.78336	0.9
55.05507	18.3
55.12360	0.8
57.07066	8.1
61.21128	0.8
65.03928	2.6
67.05175	1.1
67.05498	14.4
69.07065	28.5
71.08619	1.5
71.13904	1.7
72.08684	0.9
78.99792	0.7
79.05489	16.4
79.34857	0.8
81.07050	58.7
83.08618	11.2
91.05471	7.5
93.03452	1.1
93.07035	67.0
95.04946	1.5
95.07978	1.4
95.08601	42.9
97.10144	8.6
105.07017	6.0
107.08586	50.7
108.08882	1.0
109.06458	1.2
109.10151	38.0
111.10925	0.7
111.11700	3.3
119.08515	1.7
121.02868	2.2
121.10133	100.0
122.10371	1.1
123.08022	1.2
123.11699	21.0
135.11679	32.8
135.12715	1.6
137.13228	1.8
149.02325	20.2
149.13245	61.8
150.13564	1.5
163.14803	7.6
205.19501	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	206.0446
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
52.62255	0.3
53.03958	0.3
55.05507	0.4
56.96563	1.1
57.03419	0.4
57.07067	0.3
59.06129	0.3
61.02932	0.5
61.50382	0.3
65.03945	0.4
67.05502	0.4
68.99809	0.3
69.03421	0.7
70.83059	0.3
70.83389	0.7
73.02915	0.3
79.05492	0.5
81.03405	0.7
81.07059	0.5
85.02895	0.7
91.05480	1.4
93.07043	0.8
95.04977	0.6
95.08576	0.3
96.04493	0.3
97.02888	0.8
98.97584	1.2
100.06348	0.3
102.21975	0.3
104.04985	0.7
105.07027	0.4
106.06584	0.4
107.04883	0.4
107.08575	1.0
109.07612	0.5
109.10100	0.3
111.09196	0.4
116.98585	1.5
118.06504	0.3
120.08066	0.3
121.06490	0.4
127.03890	0.3
128.98549	0.4
132.04439	25.6
133.04787	0.4
133.06537	0.4
134.99631	0.6
135.08057	0.6
147.04445	0.7
148.08658	0.5
149.02345	1.0
150.02657	1.5
151.07590	0.3
151.70564	0.3
158.99643	0.5
160.03918	0.5
160.07526	0.5
161.05968	0.3
163.03906	0.6
177.00720	1.1
178.04979	100.0
179.05540	1.4
179.06892	0.5
188.06990	0.4
188.62045	0.3
189.11339	0.6
191.14247	1.2
201.00722	0.4
206.04472	50.9
206.08104	1.9
206.11794	1.3
206.13918	0.4
207.04764	0.8
207.06506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0809
Annotation	Oxyhydrastinine
Peak:m/z	Relative Intensity
53.03947	1.1
54.03471	1.5
56.96567	0.7
62.36525	0.5
65.03939	3.7
67.05499	25.9
68.05015	1.1
69.03416	0.8
69.07072	2.4
71.04999	0.6
79.05484	6.4
80.05011	1.1
81.07055	3.0
82.02940	3.8
82.06564	2.0
84.04507	2.2
85.02870	1.1
91.05473	7.9
93.05776	1.9
93.07035	1.5
94.06550	2.2
95.04964	15.6
95.08579	1.0
96.04485	5.5
96.05738	2.1
97.02892	0.8
98.97607	1.1
103.05439	0.7
105.07035	4.7
105.39034	0.5
106.06554	2.0
107.07327	4.5
107.08586	1.4
108.08102	22.9
110.06033	8.0
115.05461	1.0
117.05733	1.2
117.07044	0.9
118.06528	0.7
118.07348	0.9
119.04934	5.9
119.08580	0.9
120.08115	3.7
121.10113	0.7
122.06013	2.4
122.06882	0.7
122.09659	8.6
123.04401	1.3
125.05972	0.9
131.04913	0.6
132.08069	1.6
133.06493	1.5
133.10091	0.7
134.05994	1.3
135.06778	2.8
135.07867	0.5
146.05907	0.8
147.04405	4.2
148.07492	0.7
149.02332	1.4
149.09540	0.6
150.02666	1.7
150.09123	40.0
151.07564	0.8
151.09448	0.7
152.06985	0.7
160.07503	1.1
161.05986	0.9
163.06268	1.0
164.04561	0.8
175.03882	3.7
178.08612	100.0
179.06952	1.1
179.08952	1.9
188.07027	0.8
188.89389	0.7
189.11209	0.7
191.14275	1.0
192.04108	2.2
206.08104	60.3
207.06497	4.6
207.08455	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1174
Annotation	Bellendine
Peak:m/z	Relative Intensity
52.82055	0.3
53.13600	0.3
57.07046	0.4
61.20260	0.3
69.03386	0.4
70.07228	1.0
75.22870	0.3
79.05489	0.7
81.03384	0.5
81.07017	0.5
85.02865	0.4
91.05453	1.4
93.07009	0.6
95.08554	0.5
103.46484	0.4
105.07003	1.4
105.15977	0.3
106.05748	0.3
107.04913	0.4
108.58907	0.3
115.96450	0.5
117.06997	0.5
119.04919	0.5
121.06478	0.5
123.08062	0.5
126.05521	0.4
131.41098	0.3
133.06499	1.0
137.05946	0.7
143.08423	0.3
147.04453	0.6
147.08049	0.4
147.11693	0.4
148.07535	2.2
149.02307	0.6
149.05960	0.7
150.02661	1.3
150.06705	0.6
151.07518	0.6
157.06474	1.1
160.08630	0.4
161.05956	1.6
162.05452	0.7
162.09120	1.1
163.03841	0.7
163.09911	3.5
164.08252	0.6
165.09097	1.5
174.06691	0.5
176.07057	5.4
177.07802	2.2
178.08508	0.6
179.07045	0.5
179.10603	0.7
189.09113	0.4
189.93126	0.3
190.08620	1.7
191.09392	36.6
192.09677	0.9
206.11737	100.0
207.06511	3.3
207.10104	0.5
207.12024	2.7
207.13748	0.7
207.17409	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0649
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02367	1.9
53.03938	1.3
55.01867	1.4
55.05484	1.6
57.03412	1.6
65.03606	1.0
65.03926	9.7
67.05489	3.7
69.03421	2.6
69.07049	1.5
69.59303	3.2
69.59708	2.3
70.57304	0.9
71.04966	1.6
75.60503	0.8
77.03918	2.1
77.85916	0.7
79.05473	3.8
80.06248	2.2
81.03409	0.9
81.07053	4.9
83.04969	1.0
85.02893	4.6
89.03904	6.5
90.04678	2.1
91.05471	100.0
92.05798	1.5
93.07046	4.7
95.04948	3.5
95.08586	5.1
98.21479	1.6
103.05444	3.4
104.02576	0.9
105.03373	2.1
105.07019	9.2
107.04929	3.1
107.08582	4.5
107.89754	0.8
108.05736	1.9
109.06493	3.4
109.10126	3.2
111.04547	0.8
115.05375	1.0
117.03383	1.3
117.06985	2.0
118.04166	7.1
119.04927	88.9
119.08576	9.4
120.05255	0.9
121.02853	3.5
121.06490	1.2
121.10162	6.1
122.03680	1.4
123.04462	0.9
123.08087	4.4
123.11670	3.8
129.03340	1.2
129.06975	2.1
131.04916	1.6
131.08559	1.9
132.02051	8.9
133.02852	1.4
133.06496	2.2
133.10120	4.9
135.04420	4.5
136.05168	2.0
137.05907	1.2
137.09596	2.4
137.13167	1.0
141.32179	0.9
143.08543	1.1
145.02837	2.3
145.10072	2.0
146.03606	5.5
147.04393	67.2
147.08049	2.9
147.11678	5.9
149.02313	11.0
149.05957	1.1
149.09598	5.4
150.03090	1.9
151.07498	3.4
156.09328	2.0
157.03969	7.9
160.01617	0.9
161.05962	6.4
161.09605	3.0
161.13243	3.4
163.03867	1.9
163.07581	1.4
163.11217	1.1
164.04675	7.2
165.12796	2.1
171.11644	1.2
174.03130	5.7
175.03888	76.1
176.04326	2.5
177.01932	0.9
179.06992	10.3
189.05380	1.1
189.09088	3.0
189.12723	4.7
192.04140	15.4
207.06499	39.9
207.09874	1.4
207.13760	11.8
207.17284	1.0
208.06802	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03660	0.7
53.03924	1.4
55.01869	1.0
55.05516	1.1
57.03424	0.8
57.07063	1.4
58.80297	0.8
65.03934	1.3
67.05505	3.6
69.03423	1.8
69.07049	2.4
70.54088	1.6
70.54451	1.4
79.05479	5.0
81.07050	5.5
83.08591	0.8
85.02882	0.9
89.03902	0.8
91.05478	21.6
93.07038	4.7
95.04945	2.6
95.08601	5.9
103.05455	2.7
105.03440	0.9
105.07027	8.5
107.04940	4.4
107.08590	5.3
108.05734	1.0
109.06501	2.2
109.10162	2.7
111.08080	0.9
111.31706	0.7
115.05453	2.4
115.96428	1.7
116.97165	1.3
117.07008	7.5
118.04156	1.7
119.04945	9.9
119.08569	10.7
120.04457	0.8
121.02882	1.2
121.06506	9.4
121.10114	2.2
123.04424	1.3
123.08041	4.8
123.11701	1.8
128.06241	1.0
129.06987	1.6
131.04921	2.2
131.08534	1.0
132.02089	0.9
132.05658	2.4
133.02817	0.7
133.06461	3.2
133.10126	6.6
133.97461	2.1
134.07216	1.2
135.04422	2.4
135.08035	2.9
135.11678	1.1
136.05188	3.3
137.05968	1.4
137.09587	2.4
143.08528	1.4
145.06439	1.0
145.10101	1.4
146.03590	1.5
147.04393	7.6
147.08034	8.3
147.11702	4.9
148.05182	1.9
148.08812	4.0
149.02342	3.7
149.05980	16.1
149.09595	5.8
149.13275	1.5
150.06723	1.4
151.07538	13.9
151.11183	1.3
159.08041	0.9
161.05959	10.2
161.09610	1.2
161.13261	2.4
163.03850	6.8
163.07520	3.4
164.04700	3.8
164.08325	35.4
165.05478	1.8
165.09122	8.1
165.12766	1.8
171.11621	1.0
174.03142	0.9
174.06708	1.2
175.03902	6.6
175.07544	2.2
176.08321	5.2
177.05421	1.7
177.09010	0.7
179.07246	5.7
179.10660	100.0
180.10997	1.7
189.05380	1.8
189.09125	2.6
189.12735	3.3
189.16296	3.9
190.04947	2.4
191.03377	1.5
192.04129	5.0
192.07848	1.8
207.06517	43.5
207.10103	13.7
207.12082	1.5
207.13722	7.2
207.17410	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	207.1013
Annotation	Narchinol A
Peak:m/z	Relative Intensity
52.60300	0.3
53.66827	0.3
55.05485	0.4
56.96529	0.3
57.07039	0.4
57.88430	0.3
65.03892	0.5
65.08773	0.3
65.48983	0.3
67.05451	0.9
69.03422	0.5
70.09025	1.4
76.92818	0.3
79.05482	2.2
81.03404	0.3
81.07004	1.0
83.04955	0.5
89.03874	0.4
91.05470	12.4
93.07015	2.3
95.04969	1.5
95.08564	1.1
98.20816	0.5
103.05425	1.8
104.06218	0.7
104.41097	0.3
105.03352	0.5
105.07024	3.7
105.78792	0.3
107.04922	2.2
107.08543	1.1
108.05682	0.7
109.06490	0.8
109.10122	0.7
115.05439	2.2
115.96400	0.7
117.06207	0.5
117.06997	5.8
118.04134	0.7
119.04923	4.0
119.05832	0.4
119.08565	7.4
121.02792	0.4
121.06495	5.4
121.10140	0.6
122.07264	0.8
123.04427	0.4
123.08052	1.5
128.06175	0.4
129.06981	0.8
131.04887	1.3
132.05698	2.2
133.02806	0.3
133.06480	2.9
133.10103	0.7
133.97469	0.4
134.07242	1.6
135.04353	1.0
135.08031	3.1
136.05188	2.1
136.08827	0.6
137.05930	0.6
137.09550	0.7
145.06400	0.8
146.03583	0.9
146.07210	0.7
147.04398	2.6
147.08031	6.0
147.09143	0.3
147.11659	1.4
148.05101	1.0
148.07762	0.3
148.08829	3.8
149.02301	1.4
149.05960	13.8
149.09590	3.1
150.06671	1.4
151.06442	0.5
151.07532	6.0
151.11125	0.6
161.05951	4.7
161.09601	0.3
161.13232	0.4
163.03876	3.6
163.07565	2.0
164.04628	1.4
164.08311	36.0
165.05513	0.5
165.09094	7.4
165.12752	0.3
171.11772	0.3
174.03149	0.4
174.06770	0.5
175.03880	1.9
175.07486	2.0
176.08313	4.5
177.05478	0.7
177.09126	0.4
179.07352	3.0
179.10641	100.0
180.11020	2.1
180.12389	0.3
189.05470	0.6
189.09093	1.3
189.12747	0.7
190.04904	0.4
192.04156	1.8
192.07822	1.4
207.06511	20.7
207.10104	11.1
207.12097	0.5
207.13580	1.5
207.17389	0.7
208.06740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01855	0.6
55.05478	0.4
57.07061	0.7
65.03925	0.8
67.05478	1.2
68.78949	0.3
69.03388	0.4
69.07041	0.6
70.60123	0.8
71.04927	0.3
79.05491	1.8
81.03378	0.4
81.07014	1.2
83.04924	0.4
85.02847	0.3
91.05467	10.7
93.07027	2.8
95.04955	1.9
95.08602	1.7
100.63607	0.3
103.05451	1.4
104.06203	0.7
105.03356	0.5
105.07021	4.2
107.04951	2.4
107.08571	1.2
108.05659	0.4
108.81631	0.3
109.06496	0.9
109.10147	0.7
115.05439	2.4
115.96404	0.3
116.06326	0.4
116.37711	0.3
116.97185	0.4
117.07005	4.8
118.04136	0.7
118.07767	0.4
119.04923	4.0
119.07794	0.5
119.08566	6.5
121.02889	0.3
121.06495	5.3
121.10125	1.3
122.07276	0.6
123.08038	1.3
123.11679	0.6
131.04893	1.5
131.08504	0.6
132.05675	1.8
133.06502	2.8
133.10103	1.2
133.97491	0.4
134.07211	2.1
135.04385	0.9
135.08057	3.0
136.05202	1.7
136.08844	0.6
137.05934	1.2
137.09569	1.4
145.06511	0.7
145.10133	0.5
146.03586	0.7
146.07243	0.7
147.04399	2.4
147.08035	6.2
147.11690	1.8
148.05130	0.9
148.08807	3.9
149.02296	0.8
149.05968	13.8
149.09596	2.9
149.13206	0.3
150.06708	1.2
151.07520	6.2
151.11162	0.4
160.05182	0.4
161.05965	3.6
161.09521	0.4
161.13197	0.9
163.03886	2.7
163.07481	1.8
164.04619	1.2
164.08315	35.0
165.05463	0.9
165.09105	7.1
165.12772	0.5
174.03145	0.4
174.06746	1.0
175.03944	1.7
175.07532	2.9
176.08321	4.2
177.05487	0.7
179.07404	2.3
179.10648	100.0
180.10991	1.5
189.05336	0.4
189.09064	1.5
189.12692	0.7
189.16373	0.7
190.04947	0.5
191.03400	0.9
192.04190	1.2
192.07767	1.5
205.08598	0.4
207.06509	16.1
207.10118	11.2
207.12057	0.6
207.13588	1.9
207.17441	1.5
208.06789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1013
Annotation	Narchinol A
Peak:m/z	Relative Intensity
53.03925	2.9
55.05498	6.5
56.35145	2.3
56.99572	2.6
57.07057	3.1
65.03919	4.3
67.05502	12.4
69.03414	6.5
69.07044	7.8
69.95155	5.9
69.95570	6.6
71.04984	3.0
79.05487	12.9
81.07040	18.6
83.04957	10.8
85.02901	5.2
91.05474	33.2
93.07037	16.6
95.04952	9.3
95.08594	21.4
97.02872	2.8
97.06528	2.6
98.21508	3.5
103.05461	3.7
105.07030	23.0
107.04933	8.1
107.08578	13.4
109.06503	7.5
109.10126	9.1
115.05470	5.3
115.96449	5.8
116.97161	2.9
117.06985	6.5
119.04930	10.3
119.08562	16.7
121.06485	10.7
121.10120	10.9
123.04366	4.7
123.08052	45.8
123.11702	7.8
128.06171	3.1
129.06987	3.0
131.04866	6.2
133.06474	5.9
133.10109	19.2
133.97406	5.3
135.08054	4.4
135.11742	3.8
136.05130	3.9
137.05937	3.5
137.09573	3.9
137.13239	2.6
144.05716	4.6
145.06462	7.8
145.10077	6.0
146.03639	2.5
146.07216	4.8
147.04410	13.3
147.08081	16.2
147.11696	16.9
148.08817	3.9
149.02284	4.7
149.05966	13.3
149.09595	9.7
149.13266	5.2
151.07518	40.4
151.11134	7.7
158.07220	9.4
159.04431	4.0
161.05968	59.7
161.09578	4.9
161.13211	8.9
163.03850	8.4
163.07492	8.1
164.04567	3.5
164.08289	8.1
165.05424	3.1
165.09090	9.5
165.12729	6.1
174.06741	16.8
175.03870	6.9
175.07559	9.2
176.08302	100.0
177.05423	9.9
177.08810	5.5
179.06995	6.6
179.08487	2.8
179.08986	3.6
179.10637	38.0
189.05428	3.8
189.09116	27.7
189.12738	8.7
189.16344	16.2
190.05016	3.9
192.04254	4.5
192.07776	25.2
192.09276	4.2
207.02850	3.4
207.06517	55.8
207.10138	90.7
207.13686	22.5
207.17427	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1014
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
53.03948	0.9
54.48533	0.2
55.01872	0.5
55.05516	1.2
57.03442	0.6
57.07075	0.4
65.03938	1.0
67.05505	1.2
69.03423	1.8
69.07069	0.9
69.62754	1.5
71.04998	1.1
73.49784	0.3
77.03956	0.3
77.54095	0.2
79.04784	0.3
79.05483	2.1
81.03420	1.3
81.07050	2.3
83.04977	0.9
85.02907	1.6
85.06561	0.5
90.04675	0.5
91.05471	17.2
92.05804	0.3
93.07028	3.2
95.04955	1.8
95.08591	2.8
97.06547	0.6
98.20786	0.5
103.05437	1.9
105.03407	0.4
105.07021	11.1
107.04949	2.4
107.08588	4.1
108.05716	0.4
109.06507	3.4
109.10158	1.2
111.08089	0.3
115.05453	1.3
116.06240	1.3
117.07010	1.3
118.04149	4.1
119.04928	9.0
119.08566	8.7
120.51638	0.2
121.02870	0.5
121.06493	4.9
121.10142	3.5
123.04420	0.8
123.08043	2.6
123.11674	1.6
128.06195	3.3
129.06992	6.6
130.07791	1.4
131.04916	7.4
131.08548	4.0
132.02080	0.8
132.05707	1.0
133.02869	0.3
133.06488	1.8
133.10100	3.5
134.03635	0.6
135.04425	0.5
135.08031	1.7
135.11676	0.8
136.05154	0.8
137.05983	0.7
137.09599	1.8
137.13272	0.5
141.06993	0.6
143.08557	1.2
144.05676	0.8
145.06505	2.3
145.10106	2.3
146.03601	2.3
146.07256	5.9
146.10909	0.4
147.04398	6.7
147.08032	3.2
147.11673	7.2
148.05170	5.0
148.08855	0.3
149.02339	1.0
149.05971	0.8
149.09599	6.0
151.03915	0.3
151.07524	3.0
151.11192	0.3
156.09360	1.7
157.03957	0.4
157.06473	1.6
158.07237	0.5
159.08037	1.3
159.11705	0.6
160.08765	0.7
161.05963	100.0
161.09589	23.7
161.13213	5.2
162.06328	1.4
162.09933	0.5
163.03819	0.5
163.07544	1.6
163.11169	1.7
164.04735	1.5
165.09109	1.1
165.12741	1.2
171.08064	0.4
171.11597	1.4
173.05998	0.4
174.03111	0.5
174.06744	3.2
174.10362	1.3
175.03894	7.1
175.07657	0.5
177.08997	0.3
177.12677	0.6
179.06999	2.1
179.08461	0.5
179.10547	0.3
189.09087	22.7
189.12715	7.4
190.09401	0.5
192.04131	1.7
207.06519	6.5
207.08128	0.3
207.10081	3.1
207.13776	12.4
229.24350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1014
Annotation	Narchinol A
Peak:m/z	Relative Intensity
53.03936	0.9
54.48981	0.4
55.05496	1.4
56.96557	0.5
57.07053	0.8
58.32637	0.4
65.03951	0.8
67.02301	0.4
67.05486	1.9
67.42184	0.4
69.03411	1.2
69.07052	0.9
71.04977	0.6
79.05484	3.1
81.03423	0.5
81.07044	3.3
83.04952	0.5
85.02904	0.9
91.04894	0.8
91.05469	15.8
93.07019	3.3
95.04946	2.5
95.08587	2.9
103.05436	2.1
104.06228	1.3
105.03385	0.6
105.07031	6.2
107.04933	3.7
107.08562	1.8
108.00159	0.4
108.05721	1.2
109.06502	1.5
109.10148	0.8
115.05457	1.9
115.96424	1.0
117.07012	5.1
118.04162	1.0
119.04935	7.9
119.08575	9.0
120.05698	0.5
121.02795	0.5
121.06506	6.5
121.10134	1.5
122.07283	0.6
123.04426	0.6
123.08059	2.5
123.11692	1.1
129.06966	0.9
131.04933	2.3
131.08575	0.4
132.02087	0.6
132.05696	2.5
133.02844	0.7
133.06476	3.9
133.10126	2.3
133.97446	1.1
134.07245	2.4
135.04387	2.2
135.08080	2.7
136.05179	3.3
136.08830	0.7
137.05937	1.3
137.09596	1.7
139.07458	0.6
144.05659	0.5
145.02745	0.4
145.06517	1.0
145.10078	0.6
146.03600	1.6
147.04381	6.0
147.08028	7.0
147.11684	2.3
148.05164	1.7
148.08795	4.0
149.02313	1.7
149.05969	14.5
149.07126	0.8
149.09589	3.4
149.13133	0.4
150.06732	1.7
151.07529	10.5
151.11125	0.6
156.09280	0.5
161.05975	7.8
161.09538	1.0
161.13220	1.4
163.03922	5.8
163.07535	3.2
164.04745	2.3
164.08318	37.6
165.05472	2.1
165.09105	8.1
165.12766	0.7
174.03081	1.2
174.06731	1.5
175.03932	4.3
175.07507	3.0
176.08334	6.0
177.01750	0.4
177.05441	1.2
179.07268	4.2
179.10648	100.0
180.07251	0.5
180.10973	1.7
183.97644	0.4
189.05452	1.1
189.09033	2.3
189.12706	1.9
189.16379	1.1
190.04955	0.6
191.03380	1.0
192.04149	3.9
192.07851	2.3
192.11086	0.5
205.08452	0.4
207.06506	33.0
207.10080	13.6
207.13750	3.3
207.17496	2.6
208.06819	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1014
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
51.02367	0.6
53.03939	1.0
55.01864	1.0
55.05499	2.5
57.03435	0.8
57.07055	0.5
59.04979	1.8
63.02386	0.5
65.03928	2.5
67.05497	3.1
69.03411	2.2
69.07039	1.8
69.31197	3.9
70.98930	0.4
71.04984	2.4
77.03905	0.5
79.05480	3.9
81.03415	2.5
81.07053	3.5
83.04968	1.4
85.02888	1.5
85.06536	0.4
89.03928	1.4
90.04716	0.8
91.05470	31.9
92.05798	0.4
93.07036	5.4
95.04955	4.1
95.08598	3.9
97.06524	1.2
97.10155	0.5
98.97554	0.4
100.93117	0.3
103.05452	3.3
105.03400	0.5
105.07018	15.0
107.04932	3.7
107.08578	7.2
108.05824	0.4
109.06506	7.9
109.10130	2.6
111.04470	0.5
111.08065	0.7
115.05457	1.5
115.53378	0.4
116.06203	1.8
117.07005	2.5
118.04147	5.1
119.04929	19.9
119.08569	13.3
121.02874	0.8
121.06501	5.5
121.09314	0.7
121.10127	9.1
122.03619	0.7
122.07181	0.4
123.04408	1.1
123.08044	7.8
123.11680	1.5
125.09583	0.6
128.06180	3.2
129.06995	7.7
130.07765	1.1
131.03905	0.4
131.04907	9.4
131.08539	6.6
132.02057	1.8
132.05663	1.0
133.02840	1.5
133.06485	2.9
133.10100	5.1
133.27852	0.4
134.03651	0.4
135.04417	1.0
135.08022	4.3
135.11665	2.1
136.05168	0.8
137.05949	2.1
137.09593	2.6
137.13231	1.2
141.06976	1.0
143.08527	2.3
144.05649	0.9
144.09346	0.8
145.06490	2.6
145.10124	3.7
146.03596	3.5
146.07249	6.7
147.03215	0.8
147.04388	16.0
147.08029	7.5
147.11674	8.0
148.05164	5.2
149.02341	2.2
149.05952	1.5
149.09595	11.1
150.10403	0.7
151.07535	4.5
151.11182	1.4
156.09329	3.7
157.03973	1.2
157.06480	2.0
158.07208	0.6
159.04436	0.6
159.08018	1.4
159.11690	3.4
160.08817	1.1
161.05960	100.0
161.09583	22.9
161.13229	5.6
162.06358	1.4
162.09985	0.4
163.03915	0.9
163.07542	1.2
163.11143	6.5
164.04663	1.6
164.08321	0.5
165.09105	1.5
165.12730	4.2
171.11664	4.8
174.03105	0.8
174.06755	4.1
174.10416	1.2
175.03886	15.9
175.07458	0.7
177.12706	1.7
179.07021	4.1
179.10619	0.7
179.14293	1.7
189.05449	0.7
189.09081	24.2
189.12703	10.7
189.16304	0.6
190.09340	0.5
192.04150	3.5
207.02858	0.7
207.06493	12.6
207.10219	4.4
207.13770	16.2
208.06776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03943	2.3
55.01853	3.3
55.05502	1.7
57.07074	2.0
65.03935	2.1
67.05479	6.0
69.03412	2.5
69.07067	3.9
69.85244	5.4
69.85657	3.5
79.05471	5.9
80.03198	1.4
81.07047	15.3
85.02895	100.0
89.03882	1.4
91.05467	21.5
93.07033	5.1
95.04920	1.6
95.08595	6.5
98.97542	2.8
103.05469	3.2
105.03392	1.7
105.07018	16.2
107.08553	7.2
109.06512	2.7
109.10145	15.4
109.31657	1.6
115.05434	4.4
117.07005	2.2
118.04134	1.8
119.04917	15.4
119.08570	13.0
121.06458	2.5
121.10111	13.5
123.04417	32.2
123.08044	5.6
123.11694	63.7
124.04665	1.8
124.11989	1.8
125.05992	11.8
129.06949	2.5
130.07715	2.2
131.04950	1.8
131.08575	4.5
133.06473	3.9
133.10152	1.7
135.08093	1.3
137.02275	2.3
137.05946	2.3
137.09599	1.8
141.05429	2.5
143.04883	5.8
143.08569	2.4
145.10083	6.8
146.03627	1.6
147.04419	17.5
147.05545	2.1
147.07993	6.8
147.11655	13.3
149.02362	6.6
149.09598	13.6
151.03879	1.5
151.07515	6.8
156.09317	3.3
157.03918	1.5
161.05959	22.8
161.09622	1.5
161.13232	3.9
163.03938	1.8
163.11185	2.6
165.05399	1.5
165.12796	2.4
166.04996	6.3
171.04274	1.5
171.11684	2.7
174.10336	1.8
175.03891	11.9
175.07463	1.8
177.05522	3.2
179.06960	8.1
182.93167	1.4
189.05441	3.2
189.09088	4.1
189.12698	10.3
192.04169	3.9
207.06511	17.5
207.10204	2.8
207.13776	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	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03932	2.3
55.05512	7.4
57.07056	4.8
59.05001	2.0
64.09200	1.5
65.03938	7.9
67.05496	19.5
69.03413	8.1
69.07055	3.5
69.65018	7.3
69.65437	2.7
71.04984	2.9
77.03886	1.8
79.05482	7.8
81.06641	2.1
81.07047	22.9
83.04956	4.6
85.02892	100.0
85.06567	3.5
89.03883	2.0
91.05469	64.9
92.05814	1.5
93.07029	12.4
95.04939	6.6
95.08594	48.3
103.05435	3.7
105.07017	38.8
105.88808	1.7
107.04932	6.6
107.08563	19.9
109.06481	10.0
109.10150	17.0
111.04467	1.6
113.06001	2.4
115.05437	2.0
117.06963	4.3
118.04139	3.1
119.04923	42.2
119.08566	43.7
120.05300	1.8
121.06482	5.8
121.10132	27.7
123.04474	2.1
123.08053	32.0
123.11685	63.9
125.05974	8.1
128.06223	3.1
129.06979	6.7
130.07751	4.5
131.08556	16.3
132.02048	4.7
133.06456	3.5
133.10107	7.5
135.04375	2.4
135.08067	2.3
135.11678	1.6
137.09558	3.7
137.13277	1.9
139.07492	2.1
141.05408	2.1
141.06947	3.5
143.08521	5.7
145.06453	2.2
145.10114	14.9
146.03651	4.0
146.10814	3.9
147.04379	38.1
147.08034	16.5
147.11676	43.0
149.02290	5.2
149.09598	54.8
151.07599	8.0
156.09352	15.1
157.03957	5.2
159.08023	7.4
160.08826	4.4
161.05959	10.3
161.09561	4.3
161.13260	12.0
163.11171	8.6
164.04636	3.8
165.09117	1.9
165.12741	11.3
169.08698	1.6
171.11646	5.8
174.10368	11.7
174.67180	1.5
175.03886	34.5
175.05310	2.9
179.07022	3.2
179.14235	1.9
189.09070	2.4
189.12723	44.7
192.04150	8.4
207.06494	17.0
207.13780	80.8
208.14014	1.7
212.28922	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02368	1.0
53.03940	7.7
55.01852	2.3
55.05505	8.4
57.07064	1.2
64.95599	0.7
65.03920	1.8
67.05499	26.6
68.61797	0.7
69.03415	1.6
69.07059	8.3
70.77904	1.7
70.78235	1.1
71.04973	2.6
73.06519	1.0
73.70702	0.8
77.03918	1.2
79.05485	48.5
81.03416	1.8
81.07049	26.7
83.04960	3.2
83.08611	3.4
85.02904	0.9
85.06519	3.1
91.05473	59.2
93.07035	100.0
94.07339	1.2
95.04962	18.1
95.08598	9.5
97.06507	2.5
97.10164	1.5
103.05449	1.8
105.04498	2.8
105.07017	31.3
107.04929	2.1
107.08584	12.6
109.06516	5.8
109.10125	2.7
111.08089	1.1
111.66850	0.7
113.77478	0.7
115.96441	0.9
117.07027	5.3
119.04921	3.8
119.08565	18.3
121.06507	3.1
121.10121	2.8
123.04411	1.4
123.08047	5.7
123.11682	1.0
127.07496	1.8
128.06203	1.8
129.06993	10.9
131.08516	1.5
133.06473	2.1
133.10123	6.8
135.04433	1.5
136.05167	1.3
137.09608	1.5
143.08572	7.3
145.10114	10.0
147.04359	2.3
147.08061	3.7
147.11676	60.2
148.12041	1.3
149.06004	1.0
149.09531	1.2
151.07524	6.9
156.09337	1.3
161.05949	4.4
161.09604	4.5
161.13243	9.3
163.03900	3.8
163.07492	1.2
164.04630	1.1
165.05409	1.3
165.09138	1.7
171.11667	20.7
172.11996	1.0
175.03812	1.8
176.08340	1.1
179.07002	3.0
179.10646	2.9
189.01633	0.8
189.12746	10.6
189.16422	0.9
190.05003	2.5
192.04108	2.1
207.06493	20.0
207.10028	3.1
207.11874	0.8
207.13776	20.7
207.17371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.46880	0.9
55.01868	1.1
55.05497	3.0
57.07044	1.4
59.04976	1.6
62.13580	1.0
65.03927	4.0
67.05502	4.5
69.03429	4.6
69.07054	3.1
69.24111	0.9
70.87985	2.8
71.04977	2.8
74.61257	0.9
77.03906	1.2
78.04655	1.0
79.05483	5.6
81.07043	8.1
83.04947	4.0
84.51120	1.1
85.02898	14.3
89.03899	3.1
90.04698	0.9
91.05470	57.5
93.03376	1.3
93.07018	8.3
95.04936	5.0
95.08600	7.0
97.06508	2.0
101.06018	0.9
103.05425	3.4
105.03351	1.5
105.07018	22.1
106.89479	0.9
107.04939	2.6
107.08583	15.1
109.06528	6.4
109.10126	4.1
111.08065	1.2
115.05476	1.5
117.07001	2.7
118.04130	4.0
119.04929	50.2
119.08569	17.2
120.05252	1.1
121.02867	2.1
121.06503	6.8
121.10117	12.6
123.04419	1.3
123.08071	12.1
123.11687	9.4
128.06221	2.2
129.06998	2.9
131.04933	4.7
131.08559	4.7
132.02028	3.8
133.02861	1.5
133.06508	6.1
133.10124	4.2
134.03568	1.1
135.04408	3.4
135.08002	3.3
135.11644	1.2
136.05194	2.3
137.05946	3.1
137.09587	5.7
139.07495	1.3
143.08513	3.6
145.06485	1.9
145.10097	5.1
146.03595	3.5
146.07234	1.7
147.04391	35.7
147.08047	7.8
147.11670	12.3
148.04988	1.0
149.02310	5.0
149.09602	100.0
151.07556	5.2
156.09351	5.9
157.03934	3.4
159.08032	2.3
161.04617	2.1
161.05963	40.5
161.09599	9.7
161.13213	9.0
163.03813	1.1
163.11198	6.1
164.04671	2.5
165.05367	1.0
165.09093	1.5
165.12711	7.7
171.11667	7.9
174.03146	1.8
174.06662	1.4
174.10384	4.1
175.03888	39.7
176.04263	1.4
178.24570	0.9
179.07040	7.8
179.08441	1.9
179.10658	3.0
179.14235	1.4
189.05394	1.5
189.09094	12.7
189.10655	1.3
189.11015	1.7
189.12718	26.9
192.04161	4.3
207.06494	22.6
207.08249	1.7
207.10161	3.9
207.13774	64.2
208.09584	1.4
208.14136	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.65557	0.5
53.03942	1.3
55.01855	1.5
55.05501	4.1
57.03414	1.0
57.07074	1.5
59.04990	2.7
65.03922	3.1
67.05495	5.7
69.03427	3.1
69.07061	2.7
71.04973	2.9
71.12984	0.9
77.03948	0.7
79.05492	6.2
81.03425	1.8
81.07049	5.4
83.04980	3.1
85.02902	1.7
85.06528	1.8
89.03930	1.4
91.05472	36.7
92.05797	0.7
93.07040	7.7
95.04975	6.0
95.08607	6.4
97.06471	0.8
98.97578	1.5
103.05444	4.4
105.03387	0.8
105.06305	1.1
105.07018	19.6
107.04948	4.2
107.08582	11.9
107.17229	0.6
108.05691	0.9
109.06507	14.9
109.10146	5.6
111.08066	1.3
115.05450	1.9
116.06229	1.3
116.98608	1.0
117.06985	4.0
118.04153	4.4
119.04935	23.4
119.08575	18.3
121.02888	0.8
121.06486	6.0
121.10128	17.7
123.04417	1.3
123.08051	13.1
123.11732	3.1
128.02654	0.6
128.06194	3.6
129.06989	8.7
130.07768	2.1
131.04910	8.7
131.08560	8.2
132.02075	1.8
133.02786	0.7
133.06499	4.1
133.10123	8.3
135.04390	1.8
135.08025	6.3
135.11708	3.5
136.05147	1.0
137.05948	2.7
137.09630	4.0
137.13223	1.4
141.06967	1.0
143.08525	3.2
144.09283	0.8
145.06441	3.0
145.10127	5.8
146.03584	3.0
146.07227	8.0
147.04401	17.3
147.08026	10.1
147.11662	15.0
148.05151	5.8
149.02328	2.5
149.05945	2.2
149.09607	21.0
150.10344	2.2
151.07536	5.9
151.11165	3.2
156.09319	8.3
157.03973	1.2
157.06459	2.4
159.08063	1.6
159.11693	7.2
160.08818	1.4
161.05965	100.0
161.09590	24.8
161.13225	7.6
162.06316	2.0
163.03841	1.0
163.07509	1.8
163.11140	12.4
164.04701	1.2
164.08253	1.9
165.09143	2.2
165.12761	6.0
171.11673	9.8
174.03116	1.4
174.06752	4.5
174.10374	2.6
175.03888	17.5
175.07542	1.2
177.12762	2.7
179.03430	0.8
179.07060	3.1
179.10619	1.0
179.14272	2.7
189.09088	23.0
189.12720	19.1
190.09454	0.8
192.04144	3.0
207.02982	0.7
207.06487	13.3
207.10185	3.9
207.13783	30.3
208.06615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1741
Annotation	beta-Irone
Peak:m/z	Relative Intensity
51.02387	0.8
53.03928	0.9
55.01864	1.0
55.05504	6.3
57.03422	0.6
57.07064	2.7
59.05001	0.7
65.03928	1.2
67.05492	9.0
69.03425	2.4
69.07059	11.8
70.75735	2.1
71.04991	1.0
71.08610	0.7
79.05479	5.9
81.07047	18.6
83.04969	25.8
83.08636	2.2
91.05463	13.4
91.59417	0.5
93.07034	13.1
95.04938	3.5
95.08595	22.1
97.06520	4.9
97.10150	2.2
98.20869	0.6
102.97647	0.6
105.07026	17.0
107.04942	1.6
107.08589	11.8
108.05695	0.7
109.06499	6.0
109.10140	7.2
111.08078	2.4
111.11708	1.4
115.05439	0.7
115.96460	1.0
117.78973	0.5
119.04924	2.5
119.08566	10.7
121.06512	1.8
121.10118	6.6
123.08054	100.0
123.11674	4.5
124.08393	1.1
125.09597	0.8
131.04913	0.9
133.10115	17.7
133.97488	0.9
135.04404	0.6
135.08107	0.9
135.11685	4.3
136.05196	1.4
137.09619	2.4
137.13231	8.2
145.10133	1.2
146.03519	0.8
147.04399	2.4
147.08057	1.9
147.11673	15.2
148.05174	0.6
149.02312	0.7
149.09618	1.3
149.13263	4.4
151.07535	5.4
151.11142	10.7
161.05946	8.4
161.13208	4.4
163.03874	2.4
163.07555	1.2
163.14795	1.8
164.08356	1.4
164.11960	1.2
165.05461	1.3
165.09021	0.9
165.12750	3.8
174.06802	1.2
175.03830	1.4
176.08299	2.7
177.05502	0.7
179.07019	2.2
179.10597	3.9
189.05510	1.0
189.09084	1.2
189.12766	1.9
189.16359	17.3
190.04921	0.6
192.07768	1.1
207.03418	0.6
207.06522	14.9
207.10072	5.3
207.13773	3.5
207.17419	54.6
208.17781	1.3
212.21025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
54.69178	0.6
55.01869	2.0
55.05506	6.6
57.07071	3.9
67.05494	11.3
67.82334	0.6
69.03419	4.4
69.07058	22.1
69.37765	5.3
71.04980	1.5
72.98541	0.6
74.02575	0.6
77.03912	0.7
79.05480	7.6
81.03407	0.7
81.07043	26.7
83.04970	31.1
83.08604	4.2
85.02896	1.0
86.59371	0.7
91.04903	0.9
91.05465	16.9
93.07033	16.4
94.44540	0.6
95.04958	4.3
95.08595	31.6
97.06523	7.1
97.10159	2.1
103.05397	1.4
105.07017	25.6
107.04926	2.1
107.08573	16.3
108.05747	1.2
109.06502	7.5
109.10146	9.5
111.08071	1.6
111.11718	1.0
115.05447	1.0
115.96424	2.0
117.07045	1.5
118.04164	0.9
119.04929	4.1
119.08565	14.4
119.09370	1.2
121.06497	1.9
121.10116	8.2
123.08052	100.0
123.11700	7.1
124.08402	1.7
125.09616	2.2
129.07025	1.1
130.68369	0.7
131.04919	1.8
131.08546	2.3
132.05737	0.8
132.41284	0.8
133.06456	1.4
133.10114	23.9
133.97433	1.0
135.04381	1.2
135.08028	1.0
135.11710	3.6
136.05203	1.9
137.05992	1.4
137.09578	4.4
137.13237	6.8
143.08528	1.5
145.10123	1.6
146.03674	1.0
146.10817	0.6
147.04393	4.4
147.08020	2.6
147.11676	19.0
149.02344	0.8
149.05972	0.6
149.09602	3.1
149.13272	5.2
151.07500	5.8
151.11153	15.6
161.05956	29.2
161.13210	5.8
162.06363	1.4
163.03917	3.7
163.07483	1.5
163.11115	1.1
163.14809	1.9
164.08347	1.2
164.11964	2.1
165.05464	1.3
165.09032	0.8
165.12738	7.5
171.11639	0.9
175.03902	3.1
175.07462	1.0
176.08282	1.4
178.07849	0.7
179.06999	2.1
179.10611	4.3
189.05444	0.9
189.09018	1.8
189.12782	3.2
189.16360	20.1
190.04915	1.5
192.04184	1.3
207.02919	1.4
207.06490	21.5
207.09981	3.9
207.13824	4.7
207.17412	80.5
208.17772	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1743
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03940	1.0
55.01859	1.0
55.05503	6.2
57.03442	0.9
57.07068	2.3
65.03941	0.5
67.05499	8.6
69.03418	1.9
69.07063	13.6
70.23836	1.0
70.24233	0.8
71.04975	0.8
79.05495	6.0
81.03398	0.6
81.07053	17.6
83.04979	27.2
83.08607	2.3
91.04910	0.5
91.05476	10.0
93.07038	12.9
95.04977	2.9
95.08602	21.3
97.06524	4.8
97.10160	1.8
103.05429	0.8
105.07028	14.5
107.04966	1.2
107.08588	13.2
108.05723	0.7
109.06519	6.1
109.10160	6.4
111.08064	1.5
111.10980	0.5
115.05494	0.5
115.96416	0.9
117.06998	0.9
119.04946	1.8
119.08567	11.3
121.06523	1.1
121.10136	4.9
122.09512	0.5
123.08060	100.0
123.11686	3.8
124.08356	0.6
125.09602	0.8
131.08600	1.0
133.06386	0.6
133.10124	18.4
135.04433	0.6
135.08063	0.7
135.11673	4.5
137.09630	2.8
137.13237	5.9
145.10057	0.6
147.04352	1.0
147.08002	1.0
147.11678	13.1
148.05132	0.6
149.05963	0.6
149.09651	1.4
149.13242	4.7
151.07527	3.3
151.11174	10.0
157.67891	0.5
161.05986	2.8
161.13216	4.3
163.03949	0.8
163.07532	0.6
163.11179	0.8
163.14815	2.4
164.04646	0.7
164.08319	1.9
164.11940	0.9
165.05472	2.1
165.09076	0.9
165.12746	3.1
175.03906	0.8
175.07512	0.5
179.10632	5.5
180.11000	0.7
189.09210	0.7
189.12733	1.1
189.16360	16.6
190.04945	1.4
192.04349	0.6
192.07802	0.9
207.02896	0.7
207.06467	6.2
207.10130	1.8
207.13838	2.0
207.17432	55.8
207.68344	0.5
208.09671	0.6
208.17699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1741
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03952	0.7
55.01863	1.0
55.05501	3.5
57.01873	0.4
57.07070	1.0
67.05492	5.1
69.03421	1.2
69.07059	8.5
70.32402	0.3
70.68217	0.8
71.04974	0.4
71.08633	0.4
79.05479	3.2
81.07046	11.9
81.07525	0.6
82.07389	0.6
83.04971	7.4
83.08611	1.2
85.02900	0.4
85.06544	0.6
89.46423	0.3
91.05468	6.6
93.07031	8.0
95.04961	2.6
95.08594	13.1
97.06536	2.2
97.10146	0.8
105.07018	10.1
107.04958	0.6
107.08578	8.5
109.06506	3.7
109.10138	4.5
111.08067	0.7
111.11699	0.8
115.96420	0.5
116.97174	0.4
117.06968	0.6
119.04928	1.3
119.08569	6.6
119.09381	0.7
121.06468	0.7
121.10145	3.6
122.10541	0.4
123.08051	100.0
123.11645	2.6
124.08406	1.1
133.06471	0.4
133.10110	11.9
133.97453	0.4
135.04396	0.4
135.11668	2.5
136.05208	1.2
137.09599	1.6
137.13229	5.0
145.10107	0.7
147.04384	0.8
147.08086	0.5
147.11650	6.6
148.08887	0.4
149.05994	0.7
149.09555	1.0
149.13249	4.1
150.13547	0.5
151.07521	3.5
151.11171	6.4
151.13911	0.5
161.05927	2.2
161.13258	2.6
163.03902	1.2
163.14803	1.3
164.08321	1.2
165.05348	0.4
165.09108	0.6
165.12732	1.2
174.06673	0.4
175.03851	0.8
176.08261	1.3
179.07028	1.1
179.10640	4.2
189.09084	0.4
189.12709	0.7
189.16368	11.5
190.05011	0.6
192.04189	0.9
207.06494	6.2
207.08456	0.6
207.10133	1.9
207.13835	1.6
207.17413	29.1
208.17665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
56.05024	0.4
56.74218	0.4
56.96563	2.2
57.07066	0.7
58.99866	1.6
61.85253	0.4
69.03432	0.8
70.75147	0.6
70.75491	0.9
77.00903	1.8
80.05041	0.4
81.03415	3.3
81.07036	0.4
83.03823	0.4
95.01942	1.0
98.97561	1.0
100.02504	1.2
101.00842	0.8
103.00638	0.6
103.02439	0.9
105.00390	0.6
109.02860	4.1
109.07646	0.6
115.02425	1.9
116.98611	1.2
118.01154	1.5
118.03518	1.2
119.01073	0.3
119.01908	9.3
120.02043	0.9
121.01656	1.9
121.03508	0.8
123.01328	0.6
129.03944	1.3
131.01891	6.0
133.03471	1.7
134.99657	2.2
137.02948	5.1
137.09601	0.7
138.03056	0.5
139.02505	2.3
141.03929	2.0
141.05006	0.9
142.03467	1.6
143.01955	0.5
144.03230	2.7
145.03447	1.5
146.99704	0.5
147.04997	2.2
147.69182	0.4
148.08688	0.5
149.00880	1.2
149.02954	1.4
150.10001	0.5
156.00282	1.4
157.03444	11.7
159.04997	4.2
161.02950	2.0
161.04318	0.4
162.03040	2.7
162.04245	0.9
163.02681	0.4
163.04472	0.6
167.01836	5.8
172.51970	0.4
173.02962	2.5
175.04474	3.6
177.00938	1.8
177.06065	1.2
180.05154	0.8
181.04655	0.6
182.06561	1.2
183.06192	0.5
184.04416	0.8
185.02933	100.0
186.03041	3.8
190.03529	2.4
191.04010	0.7
196.04466	0.6
199.05638	0.8
203.02243	3.2
203.03969	44.9
203.07611	2.0
204.04240	1.3
208.04527	27.7
208.09761	0.7
209.04547	1.8
221.03235	1.3
221.05058	2.4
226.05533	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	208.133
Annotation	O-Methylcorypalline
Peak:m/z	Relative Intensity
55.01843	1.0
55.05502	1.2
56.05047	0.5
56.96534	0.6
67.05472	0.7
71.52090	0.7
79.05470	0.8
83.04970	1.1
83.06100	0.6
83.08586	0.7
91.05472	4.2
93.07028	1.6
95.04945	4.1
96.64137	0.5
98.06030	0.6
103.05470	1.3
105.07023	7.4
107.04913	0.8
109.06484	1.7
109.10104	0.5
115.05430	3.1
117.07008	19.4
117.71908	0.6
119.04931	1.7
119.08562	1.4
120.08029	0.6
121.06496	1.8
123.08080	2.6
124.07570	1.3
128.06134	0.6
133.06471	3.6
134.03551	0.6
135.07962	0.6
137.05994	1.0
137.09544	0.6
144.82970	0.6
145.06470	31.9
146.06912	0.6
147.04393	0.8
147.06781	0.9
147.07994	0.6
148.11201	1.3
149.05946	1.4
149.09575	0.7
150.06732	2.0
151.07536	10.9
151.11169	0.8
152.08171	0.6
162.06697	1.2
162.09125	0.6
164.07062	1.2
164.08301	1.5
165.09099	39.2
168.91866	0.5
176.10677	2.2
177.05531	1.0
177.09097	20.2
179.10672	17.9
191.10625	0.6
193.10921	0.9
208.13306	100.0
209.04463	0.8
209.13678	2.6
209.15373	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0443
Annotation	6,8-Dihydroxy-7-methoxycoumarin
Peak:m/z	Relative Intensity
50.11139	0.4
50.78857	0.4
55.01852	1.9
55.05507	10.6
57.03421	0.7
57.07052	0.8
59.04981	1.0
65.03934	2.3
67.05505	2.1
68.99770	0.8
69.03416	1.9
69.07047	1.8
71.04987	1.1
71.47761	0.9
79.05482	2.2
81.03411	0.7
81.07061	2.9
82.04183	0.5
83.04974	15.6
83.08606	6.9
85.02882	1.7
85.06516	0.6
89.03876	0.5
91.05493	2.2
93.03410	2.5
93.07023	3.8
94.74635	0.4
95.04969	4.3
95.08591	1.1
97.06525	2.7
97.10149	1.8
99.04435	0.9
103.05447	2.1
105.03377	0.8
105.06999	1.4
106.04142	0.8
107.04932	1.0
107.08590	4.6
109.06509	4.6
109.10142	3.8
110.03674	2.4
111.04424	2.3
111.08080	1.7
117.07005	1.2
119.08567	0.7
121.02868	1.0
121.06479	3.4
121.10133	5.7
123.04478	0.6
123.08024	0.9
123.11721	2.1
125.05991	5.3
125.09598	2.1
131.04915	2.2
131.08537	1.2
133.10114	1.8
135.04393	4.3
135.08020	0.7
137.09589	0.5
138.03102	8.0
138.06740	0.5
145.06407	0.4
148.01550	0.5
148.05151	0.6
149.02335	4.4
149.05972	3.4
149.09633	0.5
149.13278	2.2
151.11169	5.4
153.05450	15.8
153.09070	1.5
153.65672	0.5
163.03853	0.6
163.07564	1.7
163.14809	1.2
166.02632	3.5
167.07005	1.5
167.14304	11.1
173.13240	1.0
177.01836	1.9
177.05478	4.5
178.06055	0.4
181.04910	2.2
181.08614	0.9
191.07039	1.9
191.14336	2.0
194.02094	28.6
209.04430	100.0
209.07938	2.6
209.15350	6.8
210.04745	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0806
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
50.01587	0.2
51.02369	0.4
53.03939	2.4
55.01869	1.9
55.05503	0.7
57.07060	0.5
65.03941	1.7
67.01842	0.2
67.05492	0.4
76.69782	0.3
77.03920	0.5
78.04705	0.9
78.52681	0.2
79.05475	0.5
81.03414	0.2
81.07050	0.5
83.04953	1.1
83.08579	0.2
91.05470	8.9
93.07027	2.4
94.58199	0.2
95.04958	5.2
95.08583	0.4
97.06546	0.3
103.05453	0.9
105.04512	1.5
105.07024	0.4
107.04961	0.5
107.08572	0.9
109.06512	1.2
109.10120	0.5
111.08081	0.3
119.04937	0.5
121.06492	66.6
121.10046	0.6
122.06840	0.8
125.09586	0.3
134.03665	1.2
135.04353	0.3
135.08063	0.5
137.05913	0.4
139.07515	0.4
145.02885	0.4
147.04370	0.3
148.05174	0.4
149.05966	100.0
150.06345	1.5
151.07513	0.5
151.11166	0.3
163.07509	0.9
165.05466	0.5
165.12701	0.3
167.07019	12.5
167.14273	0.7
177.05457	31.2
177.39578	0.2
178.05812	0.3
179.07004	0.3
190.08640	1.0
191.07014	0.8
191.14287	0.4
209.04388	0.9
209.06288	0.3
209.07957	1.2
209.09792	0.3
209.11653	0.3
209.15361	2.7
209.18968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0806
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03934	1.8
55.01850	3.0
55.05494	1.7
59.79023	0.8
65.03905	0.7
66.32218	0.7
67.05500	1.2
69.03404	0.8
70.58429	2.1
78.04681	1.5
79.05476	3.0
81.03381	0.7
81.07053	1.4
83.04968	2.0
83.08564	0.7
89.03906	6.4
91.05475	15.4
93.07034	7.6
95.04974	3.8
95.08619	0.8
97.06528	0.7
98.97567	0.9
101.33468	0.8
102.04671	1.1
103.04792	1.3
103.05457	22.9
104.52876	0.7
105.03345	1.6
105.06982	0.7
106.04149	1.7
107.04939	10.1
109.06508	2.0
117.03364	6.9
118.04141	1.1
119.04932	6.0
120.05709	2.1
121.06491	30.2
121.07369	1.5
121.10100	1.4
123.04433	1.6
131.03903	0.8
131.04912	32.8
134.03615	8.4
135.04387	4.9
145.02814	5.9
147.04390	4.9
148.05174	14.8
149.05963	45.7
150.06390	1.1
151.11136	1.3
152.67714	0.6
153.05386	0.8
159.04398	17.3
159.05617	1.7
162.03084	2.8
163.03918	5.0
163.07500	4.7
164.10713	0.9
165.05411	1.4
166.06265	2.7
167.07031	1.4
173.05882	0.8
176.04709	7.3
177.05449	100.0
178.06070	3.1
181.08632	1.1
191.06995	9.8
194.05727	10.2
209.04457	2.3
209.08067	49.6
209.15289	3.0
210.08443	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0806
Annotation	6-Methoxymellein
Peak:m/z	Relative Intensity
53.03946	0.4
55.01876	0.7
55.05511	0.3
67.05508	0.6
79.05515	0.6
81.07065	0.5
83.04989	0.4
83.08603	0.2
91.05479	1.4
93.07024	0.5
95.04962	4.6
95.08598	0.2
103.05470	0.2
105.03393	0.4
105.07009	0.2
106.04178	0.2
107.04951	1.4
107.08575	0.4
108.05739	0.7
109.02796	0.2
109.06491	0.9
110.07340	0.3
119.04993	0.2
121.02834	0.2
121.06492	1.5
122.07292	1.9
123.04433	2.0
123.08077	0.6
134.03545	0.2
135.04407	0.8
135.08063	0.3
136.05199	0.5
137.05011	0.3
137.05968	4.2
138.06754	4.8
145.02933	0.2
148.05275	0.2
149.05995	1.0
149.09602	0.3
151.03885	13.4
151.07524	7.9
153.09100	0.7
155.07047	0.3
163.03883	4.5
163.07510	0.4
165.05463	16.4
166.06241	47.0
167.06601	0.8
167.14346	0.4
177.05470	0.5
177.06937	0.2
178.06239	4.0
179.03400	0.4
179.06926	0.2
181.08575	100.0
182.08858	1.5
191.07040	0.3
194.05739	1.8
194.07239	0.3
209.08061	26.8
209.15309	1.1
210.08383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.3
55.01869	4.7
55.05512	2.4
56.00312	0.5
57.07058	1.1
59.84106	0.4
65.03940	5.1
65.69558	0.4
67.05500	2.1
69.03399	1.2
69.07040	1.0
69.88438	1.9
71.04958	0.7
75.02484	0.4
77.03871	0.5
78.04666	0.5
79.05481	2.5
81.03406	0.9
81.07023	1.9
82.04163	0.7
83.04987	2.4
83.08590	1.1
89.03897	0.8
90.06190	0.4
91.05479	10.0
93.03403	6.5
93.07034	3.2
95.01311	0.7
95.04970	3.8
95.08572	1.5
97.06487	1.6
98.20790	0.5
102.04617	0.5
103.05458	5.7
105.03374	2.4
105.04519	0.4
105.07028	3.7
106.04154	2.2
107.04965	2.6
107.08553	3.0
108.05733	0.7
109.06508	3.3
109.10128	1.2
110.03641	5.9
111.03724	0.7
111.04444	10.3
111.08080	0.6
115.05424	1.4
115.06902	0.4
116.06261	2.4
117.03365	1.4
117.06985	0.8
118.04180	0.5
119.04939	8.6
119.08575	0.6
120.24622	0.4
121.06499	6.4
121.10145	2.1
123.04409	1.1
123.08024	1.4
124.05201	0.7
125.05988	11.3
125.09646	0.7
130.04178	0.5
131.04030	0.8
131.04924	8.9
132.05710	0.9
133.02846	2.4
133.06491	5.3
133.10095	0.8
134.03583	0.5
134.07266	1.6
135.04393	1.4
135.08003	2.0
135.11674	0.8
136.05145	0.7
137.05934	1.1
138.03111	1.1
138.06746	0.8
139.07518	1.4
144.05666	1.0
145.02847	1.8
145.06470	0.7
145.10139	0.8
147.04395	7.2
147.08043	1.4
148.05168	1.6
149.05966	5.7
149.09572	1.1
149.13246	0.6
151.03937	0.7
151.07529	7.7
151.11154	1.6
152.04770	1.1
152.06195	8.0
153.05467	65.2
153.06929	8.3
153.09047	1.5
154.05862	1.0
159.04384	0.7
161.05933	3.0
162.06726	1.9
163.03873	0.9
163.07544	9.7
163.11200	0.7
165.05437	2.7
165.06747	0.5
165.12711	0.4
166.06271	1.3
166.07722	0.7
166.41267	0.4
167.03482	0.5
167.07022	1.8
167.14273	1.9
168.07806	100.0
168.48610	0.4
169.08176	2.4
173.13239	0.6
174.27878	0.5
177.05469	6.6
177.09035	2.1
178.09891	2.6
179.07048	9.3
179.08559	0.9
181.04991	2.5
181.06435	0.9
181.08553	4.4
181.09973	0.6
185.72200	0.6
191.03444	0.6
191.07007	3.0
191.14384	1.2
193.08617	0.6
193.12256	0.7
194.09370	52.1
195.09752	0.8
209.04366	1.8
209.06018	38.1
209.08073	4.0
209.09746	1.2
209.11639	12.7
209.15315	10.9
209.17331	0.5
210.06322	1.2
210.12009	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03951	3.4
55.01873	2.7
55.05508	77.9
57.03440	1.9
57.07073	3.1
59.04998	4.4
67.05499	10.5
69.03432	6.9
69.07053	6.0
70.96962	5.1
71.04999	3.5
73.83705	1.8
79.05482	6.4
81.07043	15.0
83.04975	100.0
83.08614	41.5
84.05267	2.1
85.06528	3.1
91.05473	4.6
93.07039	17.4
95.04955	29.7
95.08603	8.2
97.06541	9.1
97.10151	3.4
99.04449	6.6
105.07023	6.8
105.36570	1.6
107.08591	27.5
109.06502	23.4
109.10166	23.7
111.08058	12.9
113.09690	2.3
116.41383	1.7
121.10132	38.4
122.32825	1.9
123.08022	4.2
123.11663	11.2
123.59113	1.8
125.09615	13.0
131.08534	2.6
133.10156	11.4
135.08049	5.4
135.11665	2.7
143.08623	1.9
149.13307	10.4
151.11183	35.4
153.09116	8.4
163.14796	4.0
167.14305	71.8
173.13277	4.4
191.14326	7.7
209.15393	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03933	1.8
55.01846	4.2
55.05504	79.4
57.03410	2.0
57.07059	3.4
59.04982	2.0
67.05493	9.4
69.03429	6.5
69.07070	6.1
71.04984	3.0
71.13007	3.5
79.05483	6.9
81.07043	13.9
83.04970	100.0
83.08146	2.4
83.08606	33.7
85.06528	3.0
91.05476	8.4
93.03377	1.9
93.07027	15.8
95.04955	16.7
95.08584	7.0
97.06522	8.8
97.10166	7.2
98.51519	1.3
99.04440	3.2
99.08076	1.8
102.94996	1.6
103.05443	3.6
105.07006	3.4
106.04156	3.9
107.04892	1.5
107.08574	19.1
109.06505	19.8
109.09470	1.9
109.10148	25.5
111.08057	11.1
121.06486	7.6
121.10117	22.9
123.11685	10.9
125.05986	2.3
125.09621	11.4
131.04892	1.9
133.10062	6.8
138.06670	1.8
149.05920	7.6
149.13239	4.8
151.11154	30.0
153.09097	4.9
159.04361	1.4
163.14799	3.0
167.07054	2.0
167.14296	61.2
168.14653	1.6
173.13286	3.4
177.00230	1.2
177.05452	7.6
186.02650	1.2
191.14273	4.0
209.07968	2.5
209.15331	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
51.49468	1.1
53.03936	3.2
55.01862	2.7
55.05506	78.3
56.43176	1.0
57.03430	1.6
57.07056	3.8
59.04986	5.2
67.05499	9.9
69.03414	6.3
69.07051	6.7
70.38060	1.1
70.97048	2.4
71.04978	4.4
79.05506	6.6
81.07051	17.3
83.04974	100.0
83.08611	40.9
83.09004	0.7
83.09118	1.5
85.06521	4.3
91.05468	6.9
93.06491	1.3
93.07038	19.5
95.04955	29.2
95.08604	8.6
97.06511	9.3
97.10145	7.1
99.04426	5.6
99.08055	1.9
105.07027	5.9
107.04951	1.6
107.07872	2.0
107.08583	30.5
109.06504	30.6
109.10149	22.3
111.08064	12.1
113.09621	2.1
119.08558	2.0
121.06491	1.3
121.10132	46.4
122.36652	1.1
123.08033	4.0
123.11716	11.8
125.09618	11.4
131.04935	1.6
131.08571	2.5
133.10106	9.0
135.08051	5.5
135.11685	2.2
137.09546	1.6
139.07495	1.7
145.10136	2.1
149.06006	1.9
149.13266	9.1
151.11169	34.1
153.09103	10.9
158.11005	1.3
163.14807	7.2
163.15956	1.1
167.14299	61.4
168.14583	1.3
173.13217	4.0
177.05505	2.0
191.14299	7.8
209.04405	2.3
209.15347	26.3
217.04985	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03929	2.4
53.40177	1.2
55.01857	3.4
55.05505	83.5
57.03436	2.1
57.07058	2.7
59.04987	4.0
67.05497	9.8
69.03417	8.7
69.07055	6.8
70.68026	3.3
70.68398	2.8
70.91071	1.5
71.04993	2.8
79.05484	8.6
81.07054	20.2
83.04970	100.0
83.08610	44.4
85.06517	3.5
89.03870	1.2
89.20000	1.4
91.05470	7.5
93.07034	10.1
95.04958	19.8
95.08577	10.4
97.06528	8.8
97.10167	9.7
99.04449	4.3
103.05451	2.4
105.07010	6.8
106.04148	2.3
107.08588	23.5
109.05790	2.8
109.06505	39.6
109.09457	2.4
109.10152	28.2
110.52388	1.3
111.08078	11.5
113.09674	1.6
121.06481	2.8
121.10135	22.8
123.08041	3.4
123.11708	12.6
124.51525	1.4
125.09624	15.9
131.04930	2.7
131.08525	3.8
133.10088	11.4
134.03549	1.5
135.08031	6.7
145.10081	1.6
147.11639	2.0
149.05930	2.6
149.09669	1.5
149.13223	7.0
151.11169	39.1
153.09074	6.7
163.07504	2.1
163.14824	3.5
167.14297	86.0
173.13264	6.7
177.05470	4.8
191.14278	9.5
198.49127	1.3
209.08040	2.2
209.15320	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03934	1.4
54.30203	1.0
55.01860	3.1
55.05506	66.3
57.03419	1.9
57.07074	1.2
59.04995	3.7
65.03942	1.0
67.05500	5.5
69.03426	8.6
69.07053	3.9
71.04972	3.6
71.51863	1.5
73.21228	0.9
79.05473	3.1
81.07050	11.8
81.28418	0.9
83.04974	100.0
83.08613	35.5
85.06534	3.2
91.05462	2.3
93.07030	8.2
95.04968	7.2
95.08599	4.5
97.06523	8.1
97.10159	9.7
105.07026	4.0
107.08585	18.1
109.06508	12.1
109.09460	0.7
109.10143	21.9
111.08067	9.7
113.09637	2.1
119.08533	1.3
119.86598	1.2
121.10135	13.1
123.11717	12.0
125.09638	14.2
127.45538	1.0
131.08548	1.2
133.10110	7.4
142.62492	1.2
149.13223	8.3
151.09962	2.3
151.11169	38.9
153.09113	4.8
163.14781	2.4
167.14305	76.5
168.14622	1.3
173.13222	3.2
173.60423	1.0
177.05412	1.1
181.04959	3.6
191.14336	3.7
196.88051	0.9
205.12341	1.0
209.08047	1.4
209.15337	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03941	2.2
55.01859	3.7
55.05507	30.1
57.03423	1.3
57.07053	4.1
59.04987	1.7
67.05505	9.3
69.03423	4.7
69.07060	4.0
71.04981	5.5
71.43735	2.5
79.05492	7.0
81.07047	16.9
83.04972	61.7
83.08614	15.1
85.02884	2.0
85.06541	2.4
91.05489	7.0
93.07031	12.6
95.04959	37.0
95.08607	12.3
97.06534	8.5
97.10158	3.4
99.04449	7.5
105.07028	8.0
106.04140	2.5
107.08583	21.5
109.06506	100.0
109.10138	19.9
110.06844	1.5
111.08077	7.5
113.09608	1.5
115.54907	1.1
119.08554	3.7
121.06461	4.0
121.10136	20.2
123.08044	13.5
123.11694	6.2
125.05978	1.5
125.09612	6.8
131.08549	8.2
133.10117	11.6
135.08031	17.4
135.11659	1.9
145.10085	3.5
147.11606	1.5
149.05917	2.7
149.09608	4.5
149.13261	12.9
151.11179	15.2
153.09096	15.7
158.10985	1.7
160.84857	1.0
163.14775	3.6
165.36404	1.1
167.10710	1.1
167.14293	29.1
173.13239	10.2
177.05498	2.7
191.14284	20.0
204.42661	1.2
209.04309	1.4
209.08084	1.8
209.15352	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	209.1533
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03928	4.7
55.01855	4.2
55.05505	69.6
57.03435	3.2
59.04995	2.6
63.09377	1.4
65.03920	2.8
67.05483	6.4
69.03424	8.5
69.07032	4.2
69.57602	12.8
71.04976	3.1
79.05463	6.3
81.07050	16.0
83.04970	100.0
83.08150	2.6
83.08613	37.4
83.81358	1.7
85.02878	2.5
85.06503	2.9
91.05470	11.1
93.03380	5.3
93.07029	14.8
95.04953	17.6
95.08586	10.5
97.06503	7.2
97.10165	7.9
99.04466	3.0
103.05428	2.9
105.07016	4.8
106.04150	13.2
107.04977	1.7
107.08582	24.2
109.06496	10.5
109.10140	18.6
111.08065	9.6
112.52622	1.6
119.08552	2.3
121.06503	11.7
121.10115	9.9
123.08066	3.0
123.11704	11.3
125.05943	2.8
125.09621	13.7
127.07512	1.8
131.08565	3.1
133.10104	7.4
133.32524	1.7
134.03658	2.9
135.11694	4.3
137.05861	1.6
139.07536	2.4
147.11647	8.3
149.05983	14.0
149.09605	4.1
149.13251	11.8
151.11157	38.0
153.09093	6.6
163.07620	1.7
163.36519	1.5
165.12735	5.8
167.14302	73.8
173.13199	4.6
177.05461	9.1
181.08543	2.8
191.14313	20.7
202.22131	1.5
209.08095	3.9
209.15340	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03945	3.4
55.01855	2.0
55.05502	9.9
55.48429	1.6
57.03420	5.0
57.07063	7.4
58.04403	1.5
59.04971	3.8
65.03924	2.6
65.50905	1.6
67.05492	12.4
69.03423	13.9
69.07059	10.4
70.86372	2.2
70.86735	3.1
71.04981	9.1
79.05479	10.6
81.03410	10.5
81.07045	29.7
83.04970	12.2
83.08598	6.4
84.34701	1.5
85.06528	3.1
91.05465	10.4
93.07022	16.6
95.04360	3.3
95.04955	52.3
95.08597	21.2
97.06521	14.9
99.04446	8.9
99.08070	2.5
103.05478	3.3
105.07011	17.0
106.04128	2.6
107.08585	23.8
109.06503	82.4
109.10143	15.5
111.08057	5.9
119.08582	9.0
121.06477	7.6
121.09232	1.7
121.10118	32.6
123.08051	16.3
123.11718	10.7
125.05980	3.2
125.09608	4.7
131.04909	1.8
131.08525	8.6
133.10129	29.8
135.08032	12.9
135.11670	4.3
137.09537	1.5
137.13220	3.0
140.53989	1.6
143.08582	2.0
145.10068	2.0
147.11659	9.4
149.05989	4.2
149.09621	13.8
149.13245	11.0
151.11128	8.4
153.09093	24.4
158.10890	3.5
163.14796	5.6
165.12732	100.0
173.13300	12.1
177.05447	3.7
181.08476	1.6
191.07042	2.1
191.10594	1.5
191.14279	21.9
209.08073	4.1
209.15343	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
51.69757	0.8
53.03939	2.2
55.05509	3.0
57.03420	0.6
57.07080	1.7
59.04976	1.2
67.05501	4.6
69.03425	13.0
69.07064	6.1
69.64777	4.8
70.98911	0.6
71.04973	1.2
71.25746	0.7
78.82369	0.7
79.05492	3.3
81.03412	10.0
81.07040	8.2
83.04976	3.7
83.08622	1.2
91.05479	2.9
93.07021	4.1
95.04959	9.3
95.08599	11.1
97.06546	1.1
99.08089	1.0
105.07034	5.3
107.08592	11.0
109.06500	11.9
109.10135	1.9
110.07276	1.1
111.08081	1.1
119.08577	5.9
121.06500	1.6
121.10126	15.1
123.08057	12.6
123.11695	8.7
133.07576	0.9
133.10162	1.1
135.08037	1.5
137.09630	2.9
137.13237	3.0
145.10120	0.9
147.11679	4.8
149.09612	8.6
149.13231	8.4
151.11189	5.6
165.12741	100.0
166.13095	1.1
173.13248	1.4
191.14320	2.4
209.04413	1.6
209.15349	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03934	1.3
55.01860	1.6
55.05499	5.5
57.07060	2.3
59.04979	2.6
67.05491	8.1
69.03423	9.7
69.07059	14.0
71.04983	6.5
71.14129	1.4
71.14453	0.9
79.05482	7.7
81.03403	2.1
81.07044	13.9
81.10844	0.8
83.04977	13.1
83.08607	3.9
85.06553	0.9
91.05463	9.5
93.03410	1.0
93.07029	10.7
95.04947	8.8
95.08593	25.8
97.06511	6.4
99.08080	3.1
102.94365	0.8
103.05441	2.3
105.07020	10.6
106.04161	2.1
107.04934	1.7
107.08576	39.2
108.80142	0.9
109.06512	12.4
109.10139	14.1
111.08039	4.5
113.09619	1.6
119.08543	5.0
121.06474	7.1
121.10120	34.8
123.08054	7.6
123.11707	5.4
125.06002	1.6
125.09617	9.3
130.11732	0.8
131.08549	6.2
133.10114	16.3
135.08041	16.5
135.11658	6.0
137.09598	3.3
139.11157	4.7
143.08618	1.1
145.10086	3.4
147.07938	1.2
147.11667	8.3
149.05945	4.8
149.09579	12.0
149.13231	18.1
151.11160	100.0
152.11481	1.7
153.09079	3.2
158.10876	2.6
163.14783	7.9
165.12747	4.9
167.14310	2.1
173.13248	16.6
175.45776	0.8
177.05544	1.8
181.08647	0.8
191.14279	44.8
209.15346	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01859	3.7
55.05238	2.0
55.05504	37.8
57.03416	3.8
57.07063	5.7
59.04993	3.0
67.05487	9.6
69.03419	3.5
69.07066	7.0
70.78749	3.2
70.79094	1.9
71.04981	5.4
74.69587	1.3
79.05484	7.8
81.07047	15.7
83.04969	64.3
83.08611	15.7
85.06548	2.2
91.05450	7.7
93.07036	13.6
95.04957	43.9
95.08595	10.3
97.06522	12.9
97.10146	4.3
99.04457	7.3
105.07028	8.8
106.04160	3.0
107.08574	23.4
109.06508	100.0
109.10149	20.2
110.26672	1.5
111.08048	9.4
119.08554	3.2
121.06488	5.2
121.10127	23.8
123.08064	8.7
123.11694	6.3
125.09639	8.7
131.08569	5.8
133.10115	12.0
135.08040	17.1
135.11708	4.8
137.09593	1.9
145.10126	4.1
147.11739	2.0
149.05992	3.6
149.09583	5.2
149.13251	11.7
151.11165	16.2
153.09084	18.5
158.10947	2.2
163.14799	4.8
167.14301	29.3
173.13272	11.0
177.05470	5.2
191.14314	16.6
209.08018	3.4
209.11617	1.7
209.15349	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	211.0962
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
55.05495	2.2
55.27052	1.0
55.46226	1.1
56.96560	1.3
58.11586	1.0
58.29742	1.2
65.03926	1.3
67.05500	2.7
69.07047	1.3
71.46909	1.9
79.05474	8.0
81.03395	3.5
81.07028	1.8
83.04984	2.4
85.06536	1.3
91.05464	5.9
93.07038	1.9
94.04159	1.3
95.01316	4.1
95.04964	2.8
95.08573	2.1
103.05441	4.8
105.07015	16.3
107.04955	3.1
109.06493	2.8
110.03651	14.8
118.04114	3.0
119.04923	4.9
120.05682	3.1
121.06507	4.2
122.07269	1.6
123.04389	1.8
123.08035	1.6
124.05185	5.0
125.05979	41.9
126.06350	1.4
133.06483	11.2
133.10095	1.2
134.07278	7.8
135.04425	5.6
135.08015	4.3
137.05972	11.2
139.03874	2.6
139.07487	5.6
147.04408	8.0
149.05907	1.8
150.06738	29.7
151.07513	2.9
153.05446	84.1
154.06035	3.4
162.06740	42.6
165.09100	100.0
166.09387	2.6
178.06245	2.1
179.06992	3.7
183.11668	1.7
193.08588	88.7
194.08966	1.4
196.07141	1.7
211.09621	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
50.74879	0.6
53.03933	2.1
55.01859	2.6
55.05503	3.5
57.03431	12.9
57.07051	2.1
65.03925	2.0
67.05496	8.2
68.21503	0.7
69.03411	2.9
69.07040	2.9
70.06570	1.0
71.04976	2.0
71.48642	1.6
76.24942	0.6
77.03957	0.7
78.04697	1.1
79.05486	8.8
81.03397	3.2
81.07045	8.0
83.04969	2.9
83.08595	2.1
85.02889	0.9
85.06542	1.6
85.13039	0.7
91.05477	14.8
92.06325	0.9
93.07038	5.4
95.04964	13.7
95.08598	6.3
97.02881	0.9
97.06547	1.4
99.04423	0.9
99.08076	1.9
103.05456	4.1
105.03384	1.1
105.06384	1.2
105.07030	12.7
106.04179	1.3
107.04960	4.3
107.08590	3.7
108.05731	1.2
109.02869	2.1
109.06504	3.7
109.10127	5.9
110.03635	2.6
111.04440	1.7
111.08050	1.6
111.53254	0.7
111.89529	0.7
117.06923	1.1
118.04159	1.6
119.04948	9.4
119.05838	1.0
119.08583	4.0
121.02847	1.8
121.03970	0.7
121.06531	4.5
121.10141	2.2
123.04417	51.5
123.08022	5.5
123.11700	3.2
124.05089	0.8
125.09611	3.2
133.06490	7.0
133.10110	2.4
135.04376	2.3
135.08012	1.5
135.11668	2.6
136.05205	2.2
136.06569	0.7
137.05951	5.8
137.09621	2.6
139.07457	0.8
147.04390	7.1
147.11691	1.1
149.05977	4.9
150.06723	2.6
151.03979	4.1
151.07532	31.0
151.11235	1.0
152.04726	0.8
153.05412	1.4
155.10651	1.9
161.05943	1.2
161.07101	2.1
163.14789	1.4
165.05406	1.3
165.09135	4.0
166.06313	1.1
166.12268	6.3
167.07040	17.2
167.08452	1.6
168.07738	1.0
175.14845	1.8
179.07022	100.0
180.07498	2.1
181.08566	3.0
183.06540	1.0
193.04865	1.1
193.08580	7.1
193.12253	1.3
193.15881	2.2
211.07617	1.7
211.09610	13.5
211.11496	1.3
211.14706	1.1
211.16975	2.2
212.12738	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
50.19450	0.2
51.02375	0.2
53.03934	0.8
55.01870	0.4
56.96548	0.4
61.02267	0.2
66.04719	0.2
67.05486	0.7
69.03413	0.3
69.07050	0.3
69.37404	1.9
75.11607	0.2
78.04700	3.2
79.05485	1.6
81.03410	0.7
81.07042	0.7
83.04979	0.5
85.02899	0.2
88.62979	0.2
91.05477	3.3
93.03389	0.2
93.07034	1.9
94.04155	0.6
95.04948	1.7
95.08598	0.4
96.05751	0.2
97.02857	0.3
97.06514	0.3
103.05462	2.1
104.57240	0.2
105.03371	0.7
105.04478	0.3
105.07010	1.6
106.04179	2.2
107.04955	1.4
108.05734	0.2
109.02871	0.7
109.06490	0.8
109.10123	0.4
110.03680	0.3
115.05426	0.4
119.04932	0.9
119.08497	0.2
121.02888	0.2
121.05656	0.3
121.06505	3.5
122.03625	0.5
123.04417	8.5
123.08052	0.4
124.05217	2.7
125.05988	0.4
131.05016	0.2
131.05974	0.2
133.02863	0.2
133.06493	1.0
134.03616	0.7
135.04390	0.6
137.05968	2.7
140.04640	0.2
147.04370	0.5
149.05957	5.6
150.06686	0.4
151.03877	2.0
151.07520	1.6
152.04655	2.2
155.08458	0.2
161.05995	1.3
162.06699	0.3
165.05492	0.7
165.06860	0.2
165.09109	1.1
166.06245	1.4
167.07019	100.0
168.04147	0.3
168.07388	2.1
168.09244	0.3
175.14859	0.2
179.07007	0.9
180.07751	0.3
181.08586	5.2
181.10211	0.3
183.06621	0.3
183.11664	0.2
193.04980	0.4
193.08571	2.2
196.02498	0.3
201.85664	0.2
211.05791	0.4
211.07747	0.3
211.09593	1.1
211.11317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03938	5.6
55.01863	4.8
55.05506	41.2
57.03445	8.9
57.07074	2.0
58.99977	1.8
59.04971	1.6
65.03931	1.8
67.05496	32.2
69.03418	10.6
69.07063	11.0
69.33546	5.5
69.33971	8.7
71.04986	5.0
77.24146	1.3
79.05483	36.7
81.03411	100.0
81.07044	41.3
83.04974	47.1
83.08604	28.3
85.06528	3.4
91.05468	37.4
93.07029	16.5
95.04961	34.9
95.08598	14.6
97.02870	3.3
97.06501	5.5
97.10175	9.2
99.08102	1.8
103.05452	5.3
105.07022	32.4
107.04940	7.7
107.08548	9.1
109.06513	5.3
109.10133	3.5
111.04428	2.6
111.08083	7.5
115.05418	2.1
118.04156	2.4
119.04970	2.0
119.08577	18.5
120.05738	1.4
121.06487	5.8
121.10124	7.5
123.04408	2.2
123.08057	4.0
124.05188	4.7
125.06007	3.0
125.09647	2.1
129.06982	11.3
131.08524	11.7
133.06483	13.6
133.10098	9.4
134.07245	5.4
135.04385	5.6
135.08038	4.0
137.05956	3.7
137.09598	2.3
139.07527	5.0
142.07784	3.2
147.04399	5.4
147.08047	5.4
147.11667	11.8
149.09599	5.6
150.06749	26.5
151.07451	3.7
151.14322	1.3
153.05473	6.5
155.08517	2.0
157.10115	14.2
161.06070	1.8
162.06734	31.6
165.05399	1.8
165.09096	76.6
165.12685	3.7
166.09541	1.5
167.07021	1.7
175.11201	10.7
179.07002	3.0
193.04919	2.1
193.08580	49.1
193.12213	38.3
211.05962	2.0
211.09483	2.2
211.11317	2.4
211.13177	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.29417	1.0
52.14097	1.1
53.03942	9.0
55.01860	5.6
55.05504	43.3
55.34974	1.1
56.26656	1.2
57.03429	13.3
57.07056	2.4
59.04993	3.0
65.03934	2.4
67.05499	31.9
69.03423	10.9
69.07068	11.8
71.02648	1.1
71.04981	8.0
71.08601	2.0
71.53112	1.4
71.53480	1.3
73.69983	1.2
78.04692	1.5
79.05480	38.7
81.03407	100.0
81.06580	2.8
81.07046	46.2
81.07524	2.8
83.04971	55.5
83.08610	35.6
85.02887	1.8
85.06529	4.0
87.04472	1.6
89.14804	1.3
91.05470	42.3
91.51048	1.3
93.03382	1.8
93.07033	21.9
93.07614	1.4
95.04959	41.9
95.08593	19.1
97.02875	5.2
97.06522	5.5
97.10161	9.2
99.04457	3.6
99.08106	3.1
103.05478	1.9
104.74020	1.3
105.07019	32.6
106.04140	1.3
107.04964	7.1
107.08582	11.1
109.06525	13.0
109.10135	7.2
110.03693	2.2
111.04430	4.4
111.08075	11.6
115.05470	3.4
117.07016	1.8
119.04913	3.7
119.08571	22.3
121.06496	7.2
121.10126	9.1
123.04411	8.7
123.07207	2.1
123.08065	6.8
123.11736	2.0
124.05087	1.3
125.05988	8.7
125.09634	3.5
129.05411	1.9
129.07002	13.2
131.08557	12.3
133.06516	6.1
133.10114	12.2
135.08012	1.5
135.11678	3.9
136.05246	1.4
137.05965	17.9
137.09595	3.4
141.05446	1.4
142.07785	4.4
145.10097	1.9
147.04405	2.9
147.08041	4.0
147.11679	14.8
149.05975	3.2
149.09625	8.1
150.06737	5.0
151.03882	2.2
151.07545	8.9
151.11160	1.8
153.05441	17.4
153.09052	1.6
154.07793	1.9
155.08572	4.0
157.10095	16.7
162.06744	4.5
165.05533	2.1
165.07045	2.0
165.09105	12.9
165.12694	2.8
167.07011	21.7
168.07686	1.6
168.09262	1.6
169.10037	6.4
175.11169	17.4
179.07047	13.5
181.08638	1.4
181.10159	2.2
183.06520	2.5
183.07985	1.6
183.11655	2.4
193.04936	3.7
193.08594	11.4
193.10359	2.9
193.12216	45.2
196.08826	1.8
196.12503	2.7
205.98715	1.5
211.05807	2.8
211.07704	2.3
211.09569	4.2
211.11238	4.0
211.13260	16.7
211.14897	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	211.1326
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03936	6.0
54.07993	1.1
54.96430	1.2
55.01864	7.5
55.05503	54.4
56.05819	1.2
57.03425	12.6
57.07072	9.2
59.04986	3.4
59.35154	1.1
59.90638	1.2
65.03931	2.0
67.05496	51.1
69.03418	15.0
69.07060	20.8
69.50469	1.1
69.74857	4.7
69.75266	2.3
71.04982	11.9
71.08615	4.2
77.03914	1.3
78.04670	1.4
79.05483	39.8
81.03406	100.0
81.07044	62.8
83.04970	56.6
83.08607	39.3
85.02895	2.4
85.06535	6.8
91.05471	46.6
93.07028	28.0
95.04461	0.7
95.04954	39.3
95.08592	40.1
97.02882	2.5
97.06517	6.9
97.10159	9.1
99.04444	2.3
99.08069	4.3
103.05463	6.3
105.04523	1.8
105.07021	37.9
106.04143	2.0
107.04955	8.7
107.08573	18.7
108.05698	1.6
109.02887	1.8
109.06506	8.9
109.09457	2.2
109.10146	23.8
111.04439	3.6
111.08059	16.0
111.11676	2.0
113.06058	1.3
113.09638	1.9
115.05454	1.7
117.07005	1.9
118.04189	1.2
119.04929	4.9
119.08572	23.8
121.01215	1.1
121.03003	1.1
121.06487	11.8
121.10137	11.0
123.04413	17.6
123.08070	10.6
123.11700	12.3
124.05193	2.4
125.06017	2.1
125.09635	6.2
127.03844	1.7
127.07551	1.3
128.06206	1.4
129.07007	12.7
131.08554	11.7
133.06454	10.0
133.10110	18.3
134.07275	1.7
135.08017	2.1
135.11690	8.3
137.05962	21.0
137.09567	9.0
137.13211	3.0
138.10399	1.3
139.07489	1.6
139.11194	1.9
141.07011	2.2
142.07753	3.6
145.10123	2.5
147.04408	2.8
147.08040	5.0
147.11665	17.6
149.05971	14.5
149.09566	5.9
149.13202	1.8
150.06743	6.0
151.03900	4.8
151.07536	13.1
151.11151	3.0
151.14844	2.3
153.05467	1.9
153.06989	3.0
155.08521	4.7
157.10115	12.4
161.06003	1.8
162.06773	4.2
163.14920	1.5
165.05424	3.5
165.06982	2.8
165.09085	17.8
165.12738	4.9
166.06252	2.3
167.07024	59.2
168.05722	2.4
168.07401	1.4
168.09288	1.2
169.10098	3.5
175.11171	14.4
175.14778	6.9
178.07755	1.8
179.07013	23.5
181.06490	2.0
181.08554	10.0
181.10013	1.9
183.11685	2.8
193.04996	1.4
193.08546	14.5
193.12215	34.1
193.15874	4.1
194.12526	1.3
196.08716	1.9
196.12425	1.5
211.05833	1.7
211.07544	5.0
211.09601	5.4
211.11174	6.3
211.13281	12.8
211.14893	3.1
211.16890	4.8
211.20517	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03923	5.1
55.01853	3.3
55.05504	15.2
57.03415	3.9
57.07057	2.5
59.04982	2.7
65.03922	2.3
67.05492	22.3
69.03407	6.7
69.07055	14.2
71.04988	13.2
71.19327	2.1
71.19663	1.9
78.04694	4.5
79.05485	12.9
81.03403	3.9
81.06588	1.7
81.07049	30.1
83.04972	16.3
83.08620	6.6
85.02882	2.1
85.06530	8.1
91.05471	22.0
93.07032	35.9
93.89745	1.3
94.04256	1.3
95.04961	44.6
95.08601	34.0
97.06544	6.7
97.10115	1.5
99.04441	8.5
99.08078	14.2
101.05996	2.0
103.05438	8.6
105.03392	1.4
105.07028	17.5
106.04163	1.9
107.04948	3.9
107.08572	25.2
109.02882	2.1
109.06493	8.6
109.10143	38.2
111.08069	7.0
113.05947	1.8
113.09619	3.4
119.04914	3.7
119.08567	30.8
121.02794	1.5
121.06487	20.4
121.10127	7.0
122.06837	1.8
123.04400	10.5
123.08051	5.7
123.11725	11.2
124.05193	4.6
124.07578	5.7
125.05973	3.9
125.09647	6.2
127.07601	1.6
130.04169	1.4
133.06462	4.6
133.09109	2.4
133.10107	43.0
133.11092	2.8
135.11668	30.0
137.05962	9.6
137.09602	28.4
137.13210	1.9
138.09100	1.8
141.05496	1.7
147.04407	3.0
147.11653	6.0
149.05966	30.6
149.13246	3.3
150.06749	3.4
151.03947	8.9
151.04985	1.9
151.07526	11.7
151.11163	4.9
153.05467	4.1
153.12755	2.7
155.07063	2.1
155.08536	1.7
155.10657	12.7
157.10086	1.9
161.05975	4.1
162.06738	1.6
163.14801	11.4
165.05473	3.1
165.09094	8.2
165.16335	3.1
166.06268	6.5
167.07024	100.0
168.07588	3.9
175.14815	28.9
179.03293	1.7
179.06987	5.0
180.07755	2.1
181.08568	24.7
183.11678	2.5
190.84444	1.5
193.04913	4.2
193.08542	7.0
193.12305	1.7
193.15860	12.8
211.05946	3.0
211.07697	2.8
211.09448	7.0
211.11368	2.8
211.13271	3.4
211.16898	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03934	5.7
55.01852	5.9
55.05506	30.4
57.03428	17.0
57.07060	6.0
59.04986	4.7
62.39571	1.3
62.55852	1.4
65.03911	2.3
67.05497	54.7
69.03420	7.6
69.07058	28.6
70.46680	4.7
71.04986	7.8
71.08608	1.5
78.04665	2.0
79.05480	20.6
81.03407	4.5
81.07043	50.2
83.04970	24.6
83.08597	13.2
85.02873	1.4
85.06538	13.2
91.05473	22.9
93.07033	30.7
95.04956	12.3
95.08595	100.0
96.05296	1.3
96.08895	1.4
97.06514	12.4
97.10150	9.9
99.04460	2.5
99.08085	5.1
101.05998	9.2
102.20276	1.4
103.05453	4.2
105.07015	28.7
106.04179	1.4
107.04943	5.9
107.08579	26.6
109.06501	11.6
109.10141	98.2
110.10470	2.3
111.08067	22.4
113.06005	2.7
113.09644	2.1
115.05357	1.4
115.07551	16.0
117.06981	1.8
118.04164	3.1
119.04915	5.4
119.08565	42.1
121.06490	6.8
121.10115	18.0
123.04411	24.0
123.08056	29.6
123.11688	14.4
124.05157	3.6
125.06062	1.4
125.09617	8.8
127.07554	2.2
127.11227	1.4
129.09079	2.6
133.06487	8.7
133.10109	33.4
133.11081	2.6
135.08043	3.5
135.11674	37.2
136.05202	1.5
137.05988	16.4
137.09601	79.6
137.13213	2.8
138.10349	4.3
139.07501	2.0
139.11182	2.6
141.09074	2.2
147.04395	6.9
147.11681	10.5
149.05968	4.4
149.13248	10.7
150.06786	7.7
151.03915	4.0
151.07518	30.4
151.11150	5.5
151.14804	4.8
152.07814	2.5
155.08513	1.7
159.39186	1.4
161.05969	3.2
162.06752	10.6
163.14815	3.2
165.05463	6.3
165.09076	16.1
165.12737	5.1
165.16359	3.7
166.06265	1.8
167.07019	34.9
167.08401	1.5
167.14337	1.8
168.07610	2.7
169.10031	2.1
175.14804	54.6
179.07021	45.9
179.08311	1.0
180.07578	1.9
181.08568	4.0
183.06528	1.9
183.11700	1.6
193.05009	2.0
193.08575	17.7
193.12251	2.7
193.15865	51.9
198.13124	1.3
211.07579	3.9
211.09619	8.6
211.11311	3.1
211.14900	2.8
211.16899	26.7
213.73375	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03919	1.3
55.01839	1.3
55.05510	15.4
57.03418	2.7
57.07056	3.3
59.04982	4.2
67.05499	24.9
69.03442	1.3
69.07066	16.4
69.49126	1.8
69.49541	7.4
71.04641	1.6
71.04986	14.9
78.56964	1.1
79.05489	8.9
81.07047	25.7
83.04944	2.3
83.08605	9.1
85.06541	5.3
91.05478	6.2
93.07036	21.6
95.04944	3.4
95.08602	100.0
95.86401	1.0
96.48243	1.2
97.06532	8.0
97.10154	1.3
98.21550	1.1
98.79016	1.0
99.04462	3.2
99.08081	3.0
101.06001	1.4
103.05481	1.1
104.47304	1.2
105.07028	10.3
107.08586	19.8
109.06508	2.8
109.10152	33.9
111.08083	3.0
113.09573	1.1
115.07556	9.0
119.08582	13.9
121.06455	1.8
121.10126	12.7
123.04404	3.7
123.08118	7.1
123.11703	18.5
125.09612	3.9
127.07550	1.8
133.06442	2.0
133.10123	14.5
134.07341	1.1
135.11685	29.2
137.06003	3.0
137.09596	11.8
137.13193	2.5
139.11157	4.3
141.09230	1.3
141.12738	1.6
147.11667	3.1
149.05980	1.6
149.13287	4.7
150.06700	2.3
151.03905	1.6
151.07538	2.3
151.11148	3.5
153.12735	5.2
155.10675	1.2
162.06779	2.3
163.14807	7.9
165.09119	6.2
165.16374	2.6
167.07005	9.0
175.14813	23.6
179.07048	2.2
181.15881	2.4
193.08611	3.6
193.15903	18.6
211.07599	1.7
211.09450	1.7
211.16920	36.3
212.08325	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03935	2.2
55.01870	2.6
55.05504	17.8
55.50131	1.4
57.03428	3.6
57.07059	4.9
59.04986	4.3
65.03933	3.0
66.75394	1.1
67.05496	32.3
69.03419	16.7
69.07059	19.6
71.04977	6.5
71.08629	1.3
71.44998	1.5
79.05485	12.6
81.03423	2.9
81.07047	33.1
83.04967	13.5
83.08605	11.6
85.06525	6.9
91.05470	12.2
93.07030	17.1
95.04965	7.7
95.08591	59.1
97.06520	3.1
97.10154	4.0
99.08072	5.4
103.05437	3.7
105.07005	15.5
107.04984	1.8
107.08582	27.1
109.02843	1.2
109.06505	12.8
109.10139	100.0
110.10529	1.1
111.08048	6.3
112.48141	1.4
113.09599	2.2
115.07611	1.3
119.04925	3.4
119.06026	1.4
119.08570	25.3
119.37521	1.0
121.06494	2.5
121.10130	14.3
123.04413	20.4
123.08054	16.6
123.11684	12.3
124.05138	1.7
125.09618	12.1
127.07455	1.2
131.08594	2.1
133.06477	2.2
133.10109	21.4
134.98723	1.1
135.04372	2.0
135.07988	1.4
135.11678	65.0
136.05220	1.4
136.12041	1.7
137.05959	5.3
137.09604	16.2
139.07539	1.5
139.11169	2.8
147.04373	4.0
147.11703	2.0
149.05960	2.1
149.13237	6.4
150.06761	3.0
151.03920	2.8
151.07532	11.0
151.11130	10.4
151.14799	11.5
153.05481	1.4
153.12770	4.2
155.03383	5.5
155.08531	1.6
157.10097	1.2
162.06754	3.9
163.14842	3.4
165.09059	11.1
167.07042	18.2
169.10020	1.4
175.14790	22.9
175.16249	1.4
179.03532	1.4
179.07019	34.2
181.08582	1.7
183.08086	1.5
187.61470	1.1
193.04858	1.5
193.08597	9.3
193.12282	2.0
193.15854	17.8
206.86140	1.1
211.07684	2.0
211.09630	8.9
211.11279	1.3
211.14877	2.9
211.16920	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	211.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.1
55.01860	6.0
55.05504	21.2
57.03425	4.7
57.07053	6.2
59.04991	4.3
61.38781	1.5
67.05173	2.3
67.05502	30.1
69.03412	7.0
69.07060	14.9
70.87801	4.4
71.04990	15.1
78.04691	4.3
79.05486	12.4
81.03400	4.2
81.07049	42.1
82.27211	1.8
83.04985	18.5
83.08610	7.0
85.02884	3.1
85.06538	9.5
87.04470	2.1
91.05471	28.3
92.05809	1.7
93.07030	36.0
93.63164	1.6
95.04962	63.1
95.08598	48.2
96.08955	1.8
97.02887	1.7
97.06522	9.1
98.06065	2.3
99.03909	1.9
99.04453	15.9
99.08081	21.8
103.05460	9.6
105.03400	2.1
105.07028	23.4
106.04127	3.7
107.04926	3.7
107.08585	33.1
109.02875	4.1
109.06472	9.6
109.10146	46.3
111.04400	2.9
111.08060	8.4
113.05949	2.4
113.09605	3.0
115.07555	2.3
119.04907	3.8
119.08570	39.4
121.06503	23.2
121.10146	9.2
123.04417	14.4
123.08024	5.3
123.11709	15.1
124.05201	3.4
124.07549	9.0
125.06007	4.1
125.09608	9.7
127.07581	2.5
129.06960	1.8
133.06499	5.7
133.10106	49.9
134.10530	1.8
135.04440	3.0
135.07965	1.9
135.11674	39.2
136.05161	2.1
137.05969	11.9
137.09592	35.2
137.13231	1.7
138.06694	1.9
138.09068	2.2
147.04346	4.3
147.11676	7.0
149.05969	31.0
149.13232	4.5
150.06744	2.4
151.03918	11.9
151.07535	14.0
151.11174	7.1
151.44502	1.5
152.04634	1.8
153.05463	4.3
153.06947	1.9
153.12769	3.2
155.07048	3.1
155.10669	16.5
161.05968	7.7
162.06764	2.1
163.14844	15.6
165.05493	3.8
165.09102	5.7
165.12776	1.7
165.16406	4.0
166.06255	6.4
167.07024	100.0
168.07474	4.3
170.05727	2.1
175.14822	46.1
176.15184	2.1
179.06984	8.3
180.07826	2.5
181.05038	3.5
181.08598	23.9
181.10048	3.3
182.63541	1.6
183.06491	4.0
183.11618	2.1
184.15495	1.8
186.40210	1.9
193.04941	6.6
193.08614	7.2
193.12247	5.2
193.15918	14.9
211.05968	4.3
211.07735	3.0
211.09511	12.8
211.11246	4.1
211.13307	4.1
211.15121	3.4
211.16922	25.5
225.86082	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	212.128
Annotation	L-Isoprenaline
Peak:m/z	Relative Intensity
53.03946	0.5
53.92311	0.5
55.01875	0.6
55.05501	2.1
57.03431	0.7
57.07072	3.3
67.05500	5.5
68.05022	1.1
69.03403	0.5
69.07064	4.0
69.41929	1.8
69.42357	2.3
70.06573	2.0
74.09799	0.5
79.05483	3.5
81.03410	0.8
81.07050	36.7
82.06548	0.8
91.05470	1.2
92.05789	0.7
93.07051	2.6
94.06568	2.0
95.04980	1.2
95.08596	6.9
96.08874	0.5
97.06517	2.1
97.10159	1.2
105.07011	1.6
106.07334	0.7
107.04961	0.8
107.08583	1.4
109.06470	1.0
109.08871	1.2
109.10134	1.7
110.09672	2.2
111.08121	0.8
117.06844	0.6
119.06090	0.9
121.10114	2.8
122.09653	0.6
123.04418	0.9
123.10361	1.0
123.11694	22.5
124.04766	0.9
124.07574	2.1
124.11221	1.4
124.12064	0.6
125.05976	0.5
126.09938	0.7
130.09660	0.5
134.06798	0.6
135.04410	0.8
135.11789	0.6
136.07518	0.6
136.11183	0.5
138.09082	0.8
138.12767	6.9
140.10692	10.6
148.11180	0.6
149.05981	0.7
151.03902	1.1
152.07906	1.4
152.10733	0.6
153.05579	0.5
163.07542	0.6
166.12265	100.0
167.07054	2.0
167.12630	1.5
168.07555	1.0
176.10706	2.5
180.07388	4.5
184.09763	0.6
184.13390	0.7
194.11751	9.1
195.06544	2.3
212.09451	0.7
212.12843	15.1
226.22708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0755
Annotation	Vanillactic acid
Peak:m/z	Relative Intensity
53.03942	3.4
54.14986	1.0
55.05497	1.6
56.69234	0.8
59.52444	0.9
65.03928	2.0
66.17076	0.9
67.05499	2.2
69.03423	1.8
69.86716	1.6
69.87116	4.5
71.40840	0.8
77.03921	1.0
78.04682	1.9
78.37752	1.0
79.05483	12.4
81.03415	1.6
81.07039	1.6
83.04945	0.9
85.02867	1.4
85.67605	0.9
89.03918	1.7
91.05462	4.3
93.03395	1.9
93.07000	1.4
94.04187	1.0
95.04958	8.9
97.02876	1.4
99.54011	0.9
106.04200	1.7
107.04949	64.0
107.08561	2.3
108.05251	1.2
109.02887	1.4
109.06540	1.8
110.03636	2.2
111.04462	2.0
119.02016	0.9
119.04939	3.3
120.02013	1.3
121.02870	1.0
121.10168	1.3
123.04414	12.1
124.05231	1.7
125.02334	5.8
125.05978	2.2
125.09642	0.9
133.02831	0.9
135.04404	18.9
137.02246	0.9
137.05948	1.6
139.03899	2.0
139.07558	1.0
140.04671	100.0
141.05046	1.3
145.03934	4.3
149.09593	1.3
151.03871	5.3
152.04703	2.7
153.05452	5.4
155.07018	49.8
156.07309	1.0
163.03889	51.0
165.05513	1.1
167.03394	1.4
167.07034	19.7
173.08110	5.7
177.05646	1.0
181.04951	2.9
195.06523	28.4
195.08250	2.1
196.06836	1.1
198.05217	1.0
213.05685	1.3
213.07570	8.0
213.09186	1.5
213.13062	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0755
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
51.02364	0.6
52.11209	0.6
53.03930	2.3
53.74144	0.7
55.01858	1.9
56.96527	0.7
58.40004	0.6
61.02918	9.6
64.29489	0.6
65.03926	7.6
67.05476	2.1
68.99771	0.8
71.23646	1.5
71.23983	0.6
77.03894	1.1
79.05012	1.0
79.05477	18.3
81.03371	0.7
90.42586	0.6
91.05486	3.9
93.03408	6.0
95.04935	4.5
102.45741	0.7
105.03369	2.1
107.04938	24.9
108.02065	3.8
109.02850	0.8
109.06502	0.9
110.03645	23.7
111.04421	11.8
111.05124	1.1
117.03375	1.7
118.73340	0.8
119.04902	1.9
121.06480	8.8
122.03616	6.6
123.04328	1.2
125.05975	60.0
133.02827	12.8
134.03587	1.2
135.04396	28.8
137.05925	5.0
140.35072	0.7
141.05432	5.0
143.36574	0.7
149.05956	21.5
150.03114	10.1
151.03889	100.0
151.05006	10.8
152.04274	1.7
153.05464	14.0
162.03098	1.6
163.03896	6.7
165.05450	35.8
167.07013	15.4
177.05453	18.4
195.06496	18.5
213.07498	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	213.0754
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03933	2.9
55.01859	1.0
61.02919	8.9
65.03932	5.9
65.41370	0.8
67.05492	1.9
68.99758	0.8
70.89060	1.8
71.01347	0.8
74.62540	0.7
79.05482	18.2
91.05469	3.6
93.03384	6.7
95.04954	5.0
105.03382	2.4
107.04943	25.1
108.02097	3.2
109.02892	1.3
109.06510	1.4
110.03653	22.4
111.04441	12.7
117.03394	1.3
119.04929	1.1
119.75218	0.8
121.06497	8.8
122.03643	5.8
123.04392	1.4
125.05980	56.1
133.02838	11.5
134.03677	0.9
135.04402	24.1
137.05975	5.1
141.05475	5.1
149.05969	21.8
150.03102	10.7
151.03893	100.0
151.04990	8.3
152.04329	1.0
153.05440	13.2
162.03136	1.4
163.03874	7.3
165.05461	40.5
167.07022	16.4
177.05444	19.4
177.07794	0.8
195.06516	15.5
201.64413	0.9
202.80885	0.8
204.46861	0.9
213.07538	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	213.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01865	1.7
55.05503	0.7
56.49131	0.3
56.96551	0.6
57.03423	0.9
61.02909	0.9
65.03934	1.3
66.04720	0.4
67.05495	1.3
69.03419	1.4
69.07055	0.7
70.06597	0.9
71.04989	0.9
71.52172	0.5
73.02929	0.7
77.03915	0.4
78.04696	2.8
79.05483	12.8
81.03399	0.9
81.07059	1.8
83.04977	0.8
83.08619	0.4
85.02898	0.7
85.06541	0.5
88.07640	0.7
91.05465	6.8
92.06284	0.4
92.19398	0.3
93.03365	0.6
93.07034	2.3
94.04198	0.6
95.04952	5.0
95.08605	0.6
96.05753	0.8
97.02872	1.0
97.06509	0.8
98.97569	0.8
99.04452	0.7
103.05453	9.1
104.86403	0.3
105.03370	0.6
105.04517	0.6
105.07021	8.0
106.04151	1.9
107.04942	65.2
107.08583	3.8
108.05298	0.9
109.02851	1.1
109.06506	1.2
109.10114	0.4
110.03635	2.7
111.04439	2.5
111.08061	0.5
115.05441	4.5
116.06222	0.6
116.98624	0.5
117.07012	2.6
119.04932	1.2
119.08579	2.3
120.05688	2.3
121.02837	1.1
121.06483	1.8
121.10123	2.2
122.03642	1.5
123.04412	7.8
123.08035	0.8
124.05208	4.4
125.05988	7.0
125.09608	0.5
127.03924	0.4
128.06221	0.3
128.10687	0.4
128.98608	0.3
129.06920	0.6
131.04907	2.4
131.08531	1.4
133.02815	1.4
133.06436	1.2
133.44279	0.3
134.03607	0.8
135.04401	4.1
135.08032	16.6
136.08304	0.3
137.02283	0.3
137.05962	3.3
137.09612	0.4
139.03883	0.8
140.04640	1.3
141.05400	0.8
142.07751	0.5
145.06505	0.3
145.07579	1.3
146.99638	0.8
147.04405	1.2
147.08012	1.4
148.97328	0.4
149.02390	0.4
149.05965	2.3
149.09604	1.6
150.03085	1.0
151.03891	10.8
151.04994	0.8
152.04662	3.5
153.05438	1.9
153.06531	0.5
153.09059	0.8
154.06242	3.4
155.07045	0.5
157.06551	0.4
157.10098	0.5
159.07996	0.6
159.11545	0.3
163.03894	1.7
163.07524	25.5
164.08009	0.3
165.05457	3.4
165.09087	1.7
167.03384	2.3
167.07016	100.0
168.04305	0.4
168.08028	1.1
177.00728	0.5
177.05469	1.7
177.09073	4.4
180.07780	3.2
181.04994	0.4
181.06506	0.4
195.06497	15.4
195.10150	13.6
195.11594	0.3
197.88304	0.3
198.05165	0.7
198.06738	0.4
201.05905	0.7
210.06502	0.6
213.05418	1.1
213.07430	0.8
213.09154	1.3
213.11174	4.7
213.12877	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1119
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03934	1.3
55.01856	1.1
59.15864	0.6
61.66120	0.7
65.03925	0.7
67.05492	0.6
69.03416	0.9
69.07039	0.7
69.72913	2.0
69.73341	2.0
71.04952	0.7
78.04693	2.8
79.05061	0.8
79.05489	9.6
81.03401	0.7
81.07046	1.2
91.05469	5.0
93.07037	1.3
95.04951	4.0
98.97557	1.0
101.86280	0.6
103.05460	8.3
105.07023	6.6
106.04156	0.9
107.04945	60.7
107.08602	1.6
109.06493	1.0
110.03619	0.8
111.04391	0.9
115.05448	3.7
116.98618	1.2
117.06994	1.8
119.04901	0.7
120.05687	2.5
121.06508	1.2
121.62534	0.5
123.04412	7.0
124.05185	2.8
125.05994	1.2
129.67383	0.5
131.04892	2.3
133.06485	1.7
135.04408	0.9
135.08038	17.1
137.05942	2.7
139.04044	0.7
145.07559	1.1
147.04396	0.9
149.05902	1.2
149.09540	1.1
151.03902	2.6
151.07480	0.6
152.04654	2.4
152.49159	0.5
153.05496	1.1
154.06207	2.5
154.07671	0.6
157.10184	0.7
163.07527	22.9
164.07976	0.8
165.05479	1.1
165.09081	1.0
167.07022	100.0
168.07368	1.4
171.04875	0.8
177.00694	1.0
180.07758	2.6
195.06497	7.2
195.10155	14.2
198.06854	0.8
210.06926	0.6
213.05528	1.4
213.09213	1.3
213.11226	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64232	0.6
53.03933	1.3
55.01861	1.6
55.05493	0.9
56.96545	0.6
57.03432	0.6
63.00039	1.1
65.03934	0.6
67.05482	2.1
69.03418	1.5
69.07056	0.8
71.04987	1.4
71.11439	0.9
71.11768	0.8
78.04697	3.1
79.05485	11.6
79.21635	0.7
81.03385	1.6
81.07032	1.8
83.04989	0.7
83.08622	0.7
85.02829	0.5
88.07615	0.7
89.06020	0.6
91.05466	5.9
93.07007	2.3
93.27340	0.6
95.04960	3.9
96.05708	0.8
97.02852	0.6
98.97556	2.4
100.08549	0.5
103.05467	9.1
105.07022	7.3
106.04162	1.8
107.04944	63.1
107.08569	1.9
109.02882	0.8
109.06498	1.1
109.10110	0.7
110.03640	0.7
110.91968	0.5
111.04385	0.7
111.10133	0.6
115.05418	3.3
116.98605	1.2
117.07005	1.5
119.04929	0.9
120.05682	2.8
121.06503	2.0
121.10108	1.1
123.04410	7.4
123.08012	0.7
124.05162	3.8
125.05960	2.2
127.03945	0.8
128.06200	0.7
129.07022	0.6
131.04912	2.2
133.06444	1.9
135.04446	0.9
135.08040	15.4
137.05963	2.5
139.03900	1.1
139.07486	0.6
140.04706	1.0
141.05467	0.6
143.08504	0.6
145.06436	0.9
145.07573	0.9
147.04379	1.3
149.05981	1.1
149.13185	0.6
151.03880	3.9
151.04970	0.8
151.07506	0.8
152.04666	3.1
153.05461	0.9
154.06236	2.5
155.07062	0.7
155.08542	0.6
157.10188	0.9
163.03879	1.3
163.07521	26.5
165.05455	1.2
165.09137	1.1
167.07019	100.0
168.07324	1.2
170.07196	0.6
177.00699	0.8
177.09074	0.9
180.07806	2.5
181.08633	0.6
185.09558	0.9
195.06497	10.3
195.10143	13.7
195.11877	1.1
195.13620	0.7
198.05142	0.7
213.05508	1.4
213.09081	1.8
213.11192	2.7
213.12923	1.3
225.21213	0.5
229.03383	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1483
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03926	1.9
53.32789	0.7
55.05507	20.0
56.96548	1.7
57.03426	1.7
57.07071	11.5
67.05491	6.1
69.03411	1.8
69.07059	7.0
71.08604	1.0
71.31707	0.9
71.32079	1.0
76.41908	0.7
79.05485	7.9
81.07051	7.9
83.04967	9.5
83.08617	1.6
85.06534	6.8
88.07607	1.2
91.05461	6.1
93.07035	16.4
95.04971	2.9
95.08598	15.3
97.06516	6.8
102.08939	0.7
105.07032	7.9
107.04933	2.8
107.08583	20.7
108.00800	0.6
109.06503	6.4
109.10134	3.7
111.04430	100.0
111.08046	3.8
112.04796	1.2
113.06000	2.5
115.05453	1.1
117.07006	3.1
119.08559	6.4
121.06490	3.0
121.10104	4.8
122.07293	0.8
123.04433	1.1
123.08066	1.4
125.05979	34.4
127.07517	3.8
128.06219	2.2
129.06963	3.7
130.07791	2.0
131.08572	3.0
133.10115	1.6
135.08052	15.4
135.11676	23.1
137.02312	0.8
137.05980	1.1
137.13264	2.0
139.07520	4.4
142.07771	4.4
143.08525	8.1
145.10106	28.7
151.03899	2.7
152.04660	1.3
153.12706	5.8
155.08528	1.0
156.09373	2.1
157.10107	16.0
157.11319	1.2
158.10513	0.7
159.11679	0.9
163.11160	23.5
163.12560	1.3
164.74844	0.7
167.07054	1.3
167.08447	0.8
169.10077	1.5
170.10875	1.3
171.08067	0.7
171.11673	9.8
181.12212	47.1
182.12538	0.8
184.12509	1.0
185.07283	0.8
185.09586	1.3
185.13171	1.8
195.06505	23.6
195.13823	4.2
198.05127	1.8
211.14798	0.9
213.05615	1.1
213.09213	1.7
213.12746	2.1
213.14404	1.2
213.16397	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	213.1846
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03937	1.0
54.74363	0.7
55.01860	3.5
55.05507	12.8
57.03416	0.9
57.07067	3.0
67.05502	8.2
69.03422	2.5
69.07063	23.1
71.04988	7.5
71.08652	1.1
71.52613	1.1
79.05487	7.0
81.07047	25.5
81.07525	1.3
83.04946	1.1
83.08610	13.4
85.06539	5.5
91.05481	3.4
93.07033	19.3
95.04949	1.1
95.08598	44.7
97.06521	1.4
97.10148	8.5
98.97561	1.0
99.08081	37.5
105.07018	3.8
107.04978	2.3
107.08583	41.1
109.06467	1.0
109.10147	19.2
111.08068	19.0
113.09610	4.2
119.08575	1.8
121.10133	71.3
123.11722	3.9
125.05972	1.8
125.09615	6.8
125.13310	1.4
128.06206	0.8
135.11673	16.4
137.13249	9.6
139.11195	1.9
149.09566	0.7
149.13254	5.6
151.03902	1.6
151.14886	1.1
153.12746	1.5
157.10080	1.2
167.07053	1.9
177.16368	100.0
178.16705	1.0
195.06512	6.8
195.17409	14.9
213.16449	1.6
213.18457	10.8
233.99033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78991	1.5
53.03919	2.7
53.96280	1.6
55.01853	4.0
55.05507	50.1
57.03420	2.3
57.07071	12.3
59.04990	7.4
60.45318	1.5
62.12738	1.6
65.03938	2.3
67.05499	28.0
69.03427	9.3
69.07063	91.9
71.04981	16.1
71.08630	2.7
71.25841	4.0
72.90491	1.5
74.52341	1.5
79.05488	16.9
81.07044	68.4
83.04974	9.6
83.08614	21.3
83.63912	1.6
85.06532	42.8
91.05450	9.3
93.07030	38.5
95.04948	3.7
95.08597	100.0
96.08920	2.8
97.06514	7.0
97.10155	21.2
99.08084	23.3
103.05438	2.4
105.07019	7.2
107.04932	8.6
107.08576	56.6
108.08940	2.0
109.10153	29.2
111.08061	6.6
111.10938	1.6
111.11698	9.2
113.09624	12.9
115.05408	1.8
119.04943	2.2
119.08610	2.5
121.06541	2.3
121.10129	79.3
122.03629	1.7
123.04430	1.9
123.08060	2.0
123.11694	15.0
125.05994	2.7
125.09593	12.4
128.06216	3.2
129.07004	3.8
135.08086	2.0
135.11667	35.7
136.31157	1.7
137.13240	34.1
139.11201	12.1
141.06935	1.8
142.07771	3.6
143.08565	7.1
149.05962	1.8
149.13235	10.6
151.03915	4.6
151.14824	6.9
152.06165	2.2
153.12733	8.5
155.08485	4.0
156.09470	2.5
157.10117	8.7
163.07521	2.5
165.05531	2.8
165.06921	2.7
165.51865	1.7
167.07047	7.1
167.08473	2.9
168.01048	1.8
170.10963	2.3
171.08008	2.2
171.11670	5.0
177.16373	68.1
178.16891	1.7
185.09636	1.9
185.13211	4.0
195.06506	21.8
195.08058	2.5
195.11728	4.4
195.17419	10.7
198.10416	3.2
213.05414	2.0
213.09175	6.4
213.12714	15.3
213.16385	6.9
213.18375	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	217.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.6
56.96562	4.6
58.99865	0.9
67.05498	0.4
68.01138	0.4
69.03437	0.7
69.21976	0.3
69.76852	2.2
77.00905	0.6
81.03386	0.3
82.99862	1.4
83.04972	1.8
84.96033	0.6
85.01393	2.1
89.02413	0.3
96.12789	0.4
98.97588	3.3
101.00865	19.6
101.06021	1.0
103.02435	13.4
106.00320	0.5
107.86472	0.3
110.00484	0.3
110.97610	0.6
110.99374	0.4
111.04443	2.8
111.48193	0.3
113.00866	1.3
113.06010	0.4
113.91351	0.3
115.02415	0.5
116.98660	1.7
116.99376	0.4
117.01336	0.6
118.00276	0.4
119.01911	100.0
120.02000	1.6
121.01644	0.6
121.02454	0.6
121.03468	9.0
124.02440	0.6
125.01038	0.8
126.01754	0.4
127.02387	3.9
127.07547	1.0
128.98637	0.6
129.00363	1.0
129.05498	0.8
130.00275	0.8
130.02084	0.6
131.00964	0.5
131.01897	11.5
132.01939	0.5
133.00790	0.5
133.32320	0.3
133.98946	0.3
134.99687	0.8
137.02945	38.0
138.03088	0.7
139.00768	2.9
139.02548	0.8
139.50789	0.4
140.01570	0.7
142.03494	2.8
143.01923	0.7
144.05119	0.5
145.03450	83.9
146.03596	2.0
146.99619	0.6
147.01373	7.1
148.01315	1.6
149.02953	5.4
152.01500	0.9
153.00462	0.6
154.99283	0.4
155.07005	3.9
157.01793	0.9
157.03508	0.5
158.01563	0.7
159.00734	0.4
159.02298	0.4
159.05032	0.4
160.01210	0.5
160.04527	0.8
161.02979	1.4
162.99255	0.8
163.04509	53.5
164.04686	1.1
165.00671	1.1
166.02400	0.7
168.05066	2.8
170.99127	0.6
171.01372	4.8
171.05070	0.5
173.02982	4.2
173.08051	2.0
174.01149	0.5
175.00894	0.9
175.04517	0.7
176.00797	0.6
177.00839	0.5
177.03336	0.4
181.02782	0.7
181.98228	0.8
182.01010	0.5
182.02628	1.4
182.52763	0.4
183.01593	0.7
184.02342	0.5
185.01346	0.7
185.51852	0.4
186.06075	1.0
187.02840	0.5
188.00952	0.9
189.02437	35.1
190.02328	3.8
190.52544	0.7
190.98740	2.5
191.00270	0.5
191.04060	5.3
192.02094	1.4
193.00125	1.3
193.01964	3.4
193.98495	0.4
194.00581	0.9
194.03107	0.5
194.52428	0.5
197.03236	0.5
197.99657	0.4
198.02121	0.5
199.00882	2.1
199.02888	1.8
200.00975	0.4
205.00432	0.5
205.03841	0.9
205.53893	0.5
206.03627	0.5
207.03491	19.8
208.03757	0.5
210.00551	0.4
211.99355	1.4
212.01878	0.6
212.03954	1.6
212.49353	0.6
214.04308	0.4
217.01930	7.9
217.05293	0.5
217.10672	0.9
226.01561	0.7
226.03525	0.5
230.05232	0.5
233.00642	0.6
234.99496	0.4
235.02954	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	217.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
55.05506	15.8
56.96555	3.7
58.99845	1.1
59.04984	2.0
61.02916	6.1
67.05481	1.3
69.03412	1.4
69.53440	5.4
70.99818	1.2
73.02898	1.3
82.99834	1.7
83.04972	21.0
83.08627	1.3
85.01382	2.5
85.06538	2.0
87.04448	2.6
89.02391	3.3
89.03882	0.7
89.06017	4.9
95.04935	0.9
98.76398	0.7
98.97579	1.9
99.04445	1.4
101.00868	21.8
101.06012	10.7
103.02433	14.0
111.04430	34.3
113.00863	1.3
113.05989	5.0
116.98598	2.3
119.01909	100.0
120.02013	1.8
121.01633	1.9
121.03478	9.0
127.02363	3.8
127.07536	4.3
129.00327	1.0
129.05460	9.7
131.01889	11.9
133.03462	2.0
135.04474	0.9
137.02936	37.3
138.02986	0.9
142.03470	2.3
142.96498	1.5
143.00130	0.9
144.99803	2.5
145.03450	82.7
146.03592	2.3
147.01357	7.8
149.02916	7.5
150.01852	1.1
155.01953	1.1
155.07014	42.7
160.97391	0.9
161.03035	0.7
163.04529	52.6
164.04601	0.7
165.02475	1.5
168.05061	3.5
171.01353	4.6
173.02922	5.9
173.08073	26.4
174.99178	0.8
175.00876	1.0
177.02432	1.8
185.02953	0.7
186.06160	1.6
187.00856	1.3
189.00778	1.1
189.02428	31.0
191.04024	5.0
193.01927	3.3
194.02968	1.3
199.00906	2.1
199.09663	2.4
202.02594	2.3
205.01913	1.1
207.03482	19.9
212.03987	1.9
217.00075	1.5
217.01912	8.7
217.05066	3.0
217.10707	22.1
217.12784	1.7
231.70346	0.8
235.02997	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	217.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.6
56.96562	4.6
58.99865	0.9
67.05498	0.4
68.01138	0.4
69.03437	0.7
69.21976	0.3
69.76852	2.2
77.00905	0.6
81.03386	0.3
82.99862	1.4
83.04972	1.8
84.96033	0.6
85.01393	2.1
89.02413	0.3
96.12789	0.4
98.97588	3.3
101.00865	19.6
101.06021	1.0
103.02435	13.4
106.00320	0.5
107.86472	0.3
110.00484	0.3
110.97610	0.6
110.99374	0.4
111.04443	2.8
111.48193	0.3
113.00866	1.3
113.06010	0.4
113.91351	0.3
115.02415	0.5
116.98660	1.7
116.99376	0.4
117.01336	0.6
118.00276	0.4
119.01911	100.0
120.02000	1.6
121.01644	0.6
121.02454	0.6
121.03468	9.0
124.02440	0.6
125.01038	0.8
126.01754	0.4
127.02387	3.9
127.07547	1.0
128.98637	0.6
129.00363	1.0
129.05498	0.8
130.00275	0.8
130.02084	0.6
131.00964	0.5
131.01897	11.5
132.01939	0.5
133.00790	0.5
133.32320	0.3
133.98946	0.3
134.99687	0.8
137.02945	38.0
138.03088	0.7
139.00768	2.9
139.02548	0.8
139.50789	0.4
140.01570	0.7
142.03494	2.8
143.01923	0.7
144.05119	0.5
145.03450	83.9
146.03596	2.0
146.99619	0.6
147.01373	7.1
148.01315	1.6
149.02953	5.4
152.01500	0.9
153.00462	0.6
154.99283	0.4
155.07005	3.9
157.01793	0.9
157.03508	0.5
158.01563	0.7
159.00734	0.4
159.02298	0.4
159.05032	0.4
160.01210	0.5
160.04527	0.8
161.02979	1.4
162.99255	0.8
163.04509	53.5
164.04686	1.1
165.00671	1.1
166.02400	0.7
168.05066	2.8
170.99127	0.6
171.01372	4.8
171.05070	0.5
173.02982	4.2
173.08051	2.0
174.01149	0.5
175.00894	0.9
175.04517	0.7
176.00797	0.6
177.00839	0.5
177.03336	0.4
181.02782	0.7
181.98228	0.8
182.01010	0.5
182.02628	1.4
182.52763	0.4
183.01593	0.7
184.02342	0.5
185.01346	0.7
185.51852	0.4
186.06075	1.0
187.02840	0.5
188.00952	0.9
189.02437	35.1
190.02328	3.8
190.52544	0.7
190.98740	2.5
191.00270	0.5
191.04060	5.3
192.02094	1.4
193.00125	1.3
193.01964	3.4
193.98495	0.4
194.00581	0.9
194.03107	0.5
194.52428	0.5
197.03236	0.5
197.99657	0.4
198.02121	0.5
199.00882	2.1
199.02888	1.8
200.00975	0.4
205.00432	0.5
205.03841	0.9
205.53893	0.5
206.03627	0.5
207.03491	19.8
208.03757	0.5
210.00551	0.4
211.99355	1.4
212.01878	0.6
212.03954	1.6
212.49353	0.6
214.04308	0.4
217.01930	7.9
217.05293	0.5
217.10672	0.9
226.01561	0.7
226.03525	0.5
230.05232	0.5
233.00642	0.6
234.99496	0.4
235.02954	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	217.0857
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
54.15134	0.6
55.05510	3.1
56.96551	0.8
57.03434	0.9
67.05489	0.8
69.07060	0.7
69.75977	1.5
69.76385	2.4
70.37339	0.6
78.88672	0.5
81.07026	1.0
83.04972	5.0
89.05982	0.8
91.05472	8.7
93.07029	1.0
95.08595	1.5
101.05994	1.6
103.05464	1.6
105.07003	2.3
107.08599	0.8
109.10140	1.7
111.04426	5.2
113.05968	0.8
115.05438	14.0
116.06256	2.8
117.06998	2.5
119.08532	1.5
121.10113	0.9
127.05440	1.0
127.07494	0.7
128.06212	15.8
129.06992	100.0
130.07330	1.8
131.04929	3.4
131.08554	27.6
133.06427	0.6
133.10114	1.8
135.04387	2.5
139.21404	0.6
141.06976	54.0
142.07317	1.1
143.04929	3.4
143.08546	2.2
144.05699	4.0
145.06450	3.2
145.10176	0.7
147.11670	1.5
155.05972	1.2
155.07037	8.2
156.05670	1.8
157.06474	51.2
159.08041	21.0
160.05180	0.9
161.05952	2.2
161.09634	0.8
161.13211	1.1
169.06470	21.7
169.07587	1.0
170.06856	0.6
171.08005	1.3
172.05190	5.5
173.05975	8.4
173.08144	3.0
174.06769	0.9
185.05942	3.1
186.06734	6.5
186.10388	1.9
187.07524	78.0
188.07904	1.5
189.05460	0.9
189.09087	5.3
192.30176	0.6
199.07529	30.9
202.09885	6.8
217.08597	69.5
217.10408	2.5
217.11961	7.0
217.15799	1.5
217.19469	2.6
218.08890	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0858
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
55.05503	35.6
57.07055	1.7
59.04996	3.1
59.96859	1.0
64.70050	1.2
65.03908	1.5
67.05505	10.2
69.03419	3.0
69.07046	5.9
69.85040	6.8
71.04980	2.6
79.05489	7.0
81.07047	15.1
83.04968	44.4
83.08609	3.6
85.06530	2.9
87.04461	6.0
89.02377	3.8
89.06044	7.3
91.05468	18.5
93.07024	11.0
95.04948	2.6
95.08604	12.9
97.10235	1.1
98.20797	1.5
99.04440	3.4
101.06012	16.6
103.05457	3.0
105.07019	21.5
105.91947	1.2
107.08571	20.2
109.06516	2.2
109.10133	9.3
111.04427	59.5
111.08058	2.9
113.05994	8.4
115.05443	14.8
116.06226	1.9
117.07007	5.3
119.07778	1.8
119.08569	16.3
121.06488	2.5
121.10115	9.9
123.08088	1.3
123.11697	3.3
127.07521	10.7
128.06197	20.9
129.05550	14.9
129.06989	98.5
129.55081	1.0
130.07323	1.8
131.04942	5.9
131.08549	33.4
133.06514	2.2
133.10135	10.9
134.35190	1.0
135.04390	2.5
135.11687	9.5
137.05975	2.4
141.06975	50.5
142.07756	4.0
143.04929	2.7
143.08551	8.3
144.05681	3.5
145.06490	3.6
145.10086	8.1
147.06599	1.5
147.08055	3.5
147.11679	13.7
149.13199	1.7
155.07005	77.1
156.05679	12.3
156.07492	1.0
156.09299	1.9
157.06470	51.9
157.10103	7.2
158.07159	1.1
159.08031	23.7
159.11641	8.2
160.05177	2.3
161.05959	3.9
161.09608	6.9
161.13252	10.7
169.06448	20.7
169.07733	1.1
171.08093	1.4
171.11661	4.1
172.05191	7.9
173.05989	8.7
173.08078	38.4
173.13234	2.8
174.06702	2.1
175.07527	3.1
175.11165	4.5
175.14819	3.2
184.05202	1.7
185.05977	2.9
186.06784	7.1
187.07520	86.8
188.07928	3.2
189.05490	1.6
189.09042	9.6
189.16338	2.3
199.07523	36.2
199.09596	4.6
199.13010	1.1
199.14815	6.7
202.02559	7.0
202.06236	3.6
202.09804	5.5
217.04997	9.4
217.08585	100.0
217.10674	32.8
217.12302	8.6
217.15831	21.3
217.19437	22.7
218.08926	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	217.0858
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
55.05510	3.3
57.03413	0.7
57.60300	0.5
67.05489	1.2
70.34408	1.6
79.05495	0.6
83.04964	5.1
87.04496	0.7
89.06039	0.7
90.88902	0.5
91.05472	7.5
92.71568	0.5
93.07039	0.9
95.08586	0.5
101.06023	2.5
102.70259	0.5
103.05464	2.6
105.07021	1.3
107.08591	0.8
111.04431	7.2
113.05995	0.8
115.05441	14.1
116.06248	2.4
117.07018	3.0
119.08595	1.4
121.10108	0.8
124.78590	0.5
127.07507	0.9
128.06200	15.0
129.06990	100.0
130.07265	1.2
131.04922	3.6
131.08549	27.9
133.10156	1.2
135.04407	2.4
138.18245	0.5
141.06975	52.1
142.07274	0.6
143.04895	2.8
143.08524	2.6
144.05696	3.4
145.06477	2.8
147.11690	0.7
155.05969	0.9
155.07031	8.1
156.05649	3.1
157.06470	50.3
158.06825	1.1
159.04437	1.1
159.08044	20.6
159.11700	0.7
160.05217	1.2
161.05954	2.9
161.09497	0.7
161.13295	0.7
169.06453	18.3
169.07605	1.4
171.08029	0.8
172.05171	5.0
173.05957	8.9
173.08087	4.0
174.06848	0.7
175.07521	0.8
185.05971	3.0
186.06773	5.5
187.07523	76.3
188.07913	1.7
189.05493	0.7
189.09108	5.6
198.09131	0.8
199.07527	34.0
202.09811	0.7
217.08582	79.0
217.10509	3.5
217.15842	1.9
217.19456	1.2
218.08876	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1221
Annotation	8-Norlactaranelactone
Peak:m/z	Relative Intensity
55.01854	0.8
55.05506	9.1
57.07057	0.6
59.04987	1.3
60.17107	0.4
62.88884	0.4
63.64947	0.4
66.40658	0.5
67.05485	1.6
69.03438	0.5
69.07050	1.5
71.29958	1.1
77.00639	0.5
79.05481	1.2
81.07044	1.4
83.04969	13.4
83.08614	0.6
85.06514	0.8
87.04474	1.8
89.02384	1.0
89.06034	2.8
91.05469	2.6
93.07039	1.4
95.08610	1.2
99.04375	0.5
100.82294	0.4
101.06010	5.5
105.07018	3.7
107.08584	1.2
111.04430	16.2
113.05995	1.7
115.05431	1.5
116.06203	0.5
117.06997	1.2
119.08564	2.2
121.10146	0.7
127.07547	2.4
128.06215	1.8
129.05496	5.8
129.06972	6.1
131.08549	4.7
131.46249	0.5
133.06509	0.7
133.10132	2.3
135.11678	0.5
136.16078	0.5
141.06958	3.3
142.07761	4.5
143.08543	6.1
144.05620	0.5
145.06490	0.9
145.10126	0.9
147.07948	0.7
147.11690	1.1
155.07019	25.7
156.05692	0.7
157.06485	3.5
157.10106	4.0
158.07225	1.3
159.08041	18.0
159.11676	2.3
161.05974	1.0
161.09669	1.0
162.06700	0.6
170.07307	1.3
171.08025	9.2
171.11653	0.8
172.05252	0.5
172.08823	2.5
173.05875	0.8
173.08084	12.9
173.09615	4.9
173.13278	0.8
174.03159	0.6
174.10365	1.5
175.07527	1.3
175.11153	1.3
175.14792	0.7
185.09613	1.8
186.10382	25.6
187.07529	30.9
187.10962	1.4
188.08150	1.1
189.09097	1.2
189.16312	0.6
199.07538	1.0
199.09663	1.3
199.14844	1.5
201.09053	0.8
202.02579	2.3
202.09868	95.2
203.10274	2.3
217.05104	3.0
217.08730	3.1
217.12267	100.0
217.15848	6.1
217.19452	1.4
218.12616	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	217.1221
Annotation	4-Methoxy-6-vinyl-2,3-dimethylchromene
Peak:m/z	Relative Intensity
50.62734	0.3
55.05504	1.2
62.45926	0.3
67.05475	0.3
67.34872	0.3
70.69894	0.3
70.70232	0.7
81.07050	0.3
83.04987	1.6
85.50867	0.3
87.01199	0.3
91.05493	0.7
92.53602	0.3
95.44875	0.3
101.06016	0.7
105.07022	0.5
105.37371	0.3
107.08587	0.3
111.04441	2.6
113.06024	0.5
115.05417	0.5
116.06261	0.4
127.07568	0.4
128.06223	0.6
129.05489	0.4
129.07004	1.7
131.08528	2.4
141.06985	1.0
142.07768	3.6
143.08556	5.7
144.05692	0.5
145.06509	0.4
153.07007	0.7
155.07022	3.8
155.08476	0.7
157.06476	1.9
157.10132	2.7
158.07266	1.2
159.08044	15.6
159.11644	0.6
163.07568	0.4
169.03479	0.4
170.07306	1.4
171.08041	9.4
171.09528	0.5
172.08826	3.1
173.08090	1.6
173.09612	4.6
174.06783	0.5
174.09070	0.5
174.10443	1.4
178.09843	0.7
183.08011	0.4
184.08797	0.4
185.09605	1.9
186.06712	0.4
186.10391	26.4
187.07535	29.8
187.11052	1.1
188.08057	1.1
189.09038	0.4
201.09117	1.2
202.09879	92.7
203.10294	2.6
217.12227	100.0
218.12268	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	217.122
Annotation	1,2,3,4-Tetrahydro-15-nor-4-oxochromolaenin
Peak:m/z	Relative Intensity
55.05519	0.6
57.99552	0.3
70.70198	0.7
78.20815	0.3
83.04989	1.7
91.05500	0.6
95.04973	0.3
98.21416	0.4
101.06030	0.5
105.07018	0.3
109.10138	0.4
111.04440	1.6
115.05460	0.9
116.06207	0.3
117.07021	0.4
118.17360	0.3
128.06239	0.9
129.06973	1.5
131.08546	2.8
133.10136	0.4
141.07019	1.2
142.07762	4.1
143.08548	5.0
144.05714	0.6
144.09296	0.3
155.07024	2.2
155.08525	1.1
157.06473	1.8
157.10107	2.5
158.07262	1.4
159.08040	15.7
160.08527	0.6
170.07274	1.0
171.08026	9.1
172.05141	0.4
172.08780	2.9
173.08095	1.0
173.09608	4.8
174.10446	1.6
178.09897	0.7
178.77449	0.4
185.09547	1.5
186.07967	0.4
186.10385	29.5
187.07523	33.0
187.10963	1.4
188.08087	1.1
189.09106	0.6
191.10631	0.3
196.30881	0.4
201.09081	1.4
202.09874	94.9
203.10309	2.6
217.12221	100.0
218.12178	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	217.1221
Annotation	8-Norlactaranelactone
Peak:m/z	Relative Intensity
53.03933	1.2
55.01868	1.5
55.05504	26.4
56.96539	1.0
59.04981	2.8
65.03918	1.1
67.05502	7.6
69.03432	3.7
69.07053	3.7
71.04970	0.8
71.52525	1.0
73.02886	1.3
79.05473	8.9
81.07039	9.9
83.04968	40.4
83.08597	2.9
85.06535	4.0
87.04470	4.0
89.02377	4.3
89.06010	6.4
91.05464	9.5
93.03416	0.9
93.07033	6.7
95.04933	3.5
95.08587	6.5
99.04439	2.1
101.06010	15.1
103.05452	1.3
105.07010	16.5
107.04910	1.1
107.08572	7.7
109.06512	1.9
109.10155	4.1
111.04428	49.3
111.08058	2.0
112.04749	1.0
113.05981	5.9
115.05418	4.0
116.06248	1.5
117.06989	5.5
119.08569	14.8
121.02957	0.7
121.06491	1.9
121.10127	5.7
123.04388	1.7
123.08028	1.4
123.11658	0.9
127.07516	7.3
128.06192	8.1
129.05472	18.3
129.06985	10.8
130.07747	0.8
131.04913	1.9
131.08536	9.7
133.06470	1.4
133.10109	11.7
134.45068	0.7
135.08047	1.3
135.11684	2.0
137.05934	3.0
137.09598	0.8
138.06718	3.6
141.06955	5.5
142.07761	9.2
143.04901	2.6
143.08533	18.2
144.05690	3.5
144.09309	1.5
145.06483	10.4
145.10089	4.4
146.07211	0.8
147.06467	1.5
147.08015	2.7
147.11679	5.7
151.07542	1.8
153.07031	0.9
155.07013	68.4
156.05693	7.7
156.06995	1.0
156.07416	1.1
156.09343	2.2
157.06560	4.8
157.10117	14.5
158.07253	6.3
158.10738	1.1
159.04439	2.2
159.08037	20.5
159.11670	9.2
160.05232	1.4
161.05959	9.3
161.09625	6.1
161.13263	3.3
169.06384	0.8
170.07216	4.7
170.10825	0.9
171.08028	28.9
171.11674	3.1
172.05089	0.8
172.08775	3.5
173.05960	16.5
173.08075	35.8
173.09601	5.3
173.13239	4.8
174.03072	1.2
174.06772	10.8
174.10400	2.1
175.07478	5.4
175.11163	4.0
175.14796	3.4
176.08270	1.9
184.05199	1.0
184.12434	0.9
185.09572	3.8
186.10373	53.1
187.07518	39.8
187.10999	3.7
188.08296	41.9
189.09079	21.8
189.12686	1.2
189.16354	4.6
199.07770	1.3
199.09636	4.7
199.14783	14.5
201.09074	1.9
202.02599	4.7
202.06377	1.9
202.09857	68.4
203.10234	1.3
217.05080	7.2
217.08583	12.7
217.10574	21.7
217.12233	100.0
217.15660	26.3
217.19244	5.1
218.08727	0.6
218.12555	2.1
234.94870	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1221
Annotation	1,2,3,4-Tetrahydro-15-nor-4-oxochromolaenin
Peak:m/z	Relative Intensity
51.47630	0.6
53.03937	1.4
55.01856	0.9
55.05233	0.8
55.05504	14.2
55.38329	0.5
59.04989	1.7
65.03928	0.8
67.05499	5.3
69.03420	1.3
69.07055	1.5
69.91881	0.5
71.52379	1.2
73.02918	1.0
77.03919	0.7
78.91158	0.5
79.05487	4.6
81.07034	1.9
83.04977	19.0
83.08599	1.9
85.02933	0.6
85.06532	1.4
87.04457	2.1
89.02383	1.7
89.06010	2.9
91.05468	12.6
92.05730	0.6
93.07065	3.1
95.04962	3.0
95.08598	1.3
97.06534	1.1
97.10178	1.1
98.21565	0.6
99.04440	1.6
101.05999	7.4
103.05460	1.7
105.07025	7.2
107.04959	1.2
107.08571	1.7
109.06517	1.2
109.10163	0.6
111.04433	21.6
113.06009	3.1
115.05437	3.3
116.06213	1.3
117.06995	4.1
118.07793	1.0
119.04911	1.0
119.08585	3.2
121.06493	21.0
121.10116	1.1
123.04398	1.4
123.08049	2.4
125.05984	2.1
127.07537	2.9
128.06213	5.0
129.05501	7.5
129.06989	19.2
130.07751	1.1
131.04910	2.4
131.08554	13.4
132.05728	1.2
133.06454	2.5
133.10130	3.4
135.08044	8.3
137.05975	9.0
138.06752	5.0
141.06947	3.1
142.07767	6.9
143.08551	3.0
144.05695	0.7
145.06499	5.2
145.10175	0.7
146.07262	10.0
147.04396	0.9
147.08037	5.8
147.11642	0.8
149.05965	16.3
151.07516	8.6
155.07019	32.2
156.09386	0.7
157.06493	4.4
157.10109	11.4
158.07268	2.3
158.10858	0.8
159.04349	1.1
159.08040	10.8
159.11670	3.6
160.05147	1.3
160.08804	2.9
161.05975	5.8
161.09604	24.5
161.10953	1.3
161.13264	0.8
162.06760	1.1
163.07513	1.6
167.06992	1.4
169.06393	0.9
171.08009	3.6
171.11658	0.7
172.08849	0.7
173.05989	2.6
173.08115	16.8
173.09581	2.4
174.06754	11.7
174.10341	3.6
175.07532	21.0
175.11131	4.5
176.08224	2.1
184.08743	0.7
185.09581	3.9
186.10275	3.7
187.07527	8.7
188.08293	4.1
189.09090	100.0
189.12640	6.6
190.09439	3.3
199.07536	1.5
199.09535	1.2
199.11127	1.6
199.14806	1.7
202.02599	2.4
202.06322	1.0
202.09860	17.2
217.04979	3.6
217.08725	47.1
217.12263	72.0
217.15819	4.4
217.19272	1.2
218.08917	2.2
218.12538	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	217.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18982	1.3
53.03940	2.1
55.01864	5.0
55.05506	40.0
57.03415	2.5
59.05005	7.2
65.03925	1.9
67.05488	9.5
69.03429	3.7
69.07049	4.5
71.03951	1.6
71.04981	9.5
73.02919	3.3
73.05690	1.3
79.05489	18.3
81.03402	6.8
81.07059	5.1
83.04971	64.4
83.08620	3.6
83.80548	1.6
85.02911	2.5
85.06535	4.4
87.04466	7.4
89.02385	6.4
89.06033	12.5
90.15239	1.3
91.05467	11.6
93.03393	3.1
93.07036	6.8
95.04954	3.2
95.08591	2.9
97.06509	4.2
98.20807	3.9
99.04440	4.1
101.06011	22.1
105.07008	10.4
107.04946	28.6
107.08588	15.8
109.06509	8.8
111.04431	74.2
111.08040	1.6
113.05989	10.1
115.05428	7.1
117.07009	5.0
119.08581	5.5
121.06496	87.2
127.07548	20.7
128.06223	7.1
129.05466	21.9
129.06956	6.9
131.08546	6.2
133.10153	2.7
135.08038	55.9
137.05946	2.0
142.07782	2.6
143.08546	4.6
144.08162	1.5
145.06494	2.0
145.10112	4.0
147.11719	2.6
149.09602	23.5
153.09108	9.0
155.07016	100.0
156.05646	7.9
157.06479	3.4
157.07652	2.0
157.10146	7.4
159.11713	5.2
161.05943	2.3
161.09592	2.8
167.10707	9.3
169.03342	1.5
171.11696	2.9
172.97758	1.8
173.08087	57.4
174.06815	2.5
174.08376	1.9
175.07520	1.4
175.11154	3.7
175.14890	2.1
184.05257	1.5
187.07472	1.7
189.05450	18.6
189.09152	2.9
194.43306	1.6
199.07576	1.7
199.09610	6.2
199.11284	2.3
199.14815	5.5
202.02605	6.6
202.06236	2.0
217.05005	17.6
217.08598	12.8
217.10706	41.6
217.15866	15.5
218.05728	3.0
229.20198	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26699	7.6
67.09487	6.1
70.96648	9.9
70.96989	15.6
72.08141	9.6
77.14754	6.3
83.00192	7.0
98.97581	23.9
99.43656	7.2
103.00645	8.8
103.15199	6.9
116.98611	20.6
119.01921	15.0
121.01662	20.1
127.58929	6.5
139.02773	7.3
145.03403	7.9
147.03198	10.3
156.02058	7.6
161.02946	8.3
165.04103	7.1
173.02887	15.6
177.00687	8.9
177.02448	8.0
191.02249	9.6
203.14342	29.6
219.08463	14.7
219.17372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65448	0.8
55.01867	6.9
55.05491	2.5
56.96549	1.9
59.04968	1.6
61.02919	25.1
67.05490	1.9
69.03406	1.0
69.07053	2.7
70.28368	3.9
71.01348	44.6
75.04472	65.4
75.58561	1.2
79.05479	1.3
81.07037	2.2
83.04953	2.1
83.65298	0.9
85.02897	1.8
87.04459	22.4
89.02393	9.6
90.05520	2.8
91.05463	2.9
93.07047	2.2
95.04912	1.5
97.02850	1.1
98.97581	2.9
101.05982	1.5
103.03931	72.6
105.07005	3.2
107.08580	2.4
109.06527	0.9
111.04465	1.2
116.98567	1.8
117.07024	0.9
119.08566	6.8
121.10126	6.0
129.07030	1.4
131.03384	15.0
131.04881	1.5
131.08549	2.6
133.10123	6.7
135.08083	1.3
135.11665	1.4
143.08597	1.0
145.06470	2.0
145.10109	3.4
147.07964	1.0
147.11630	2.1
151.07523	1.0
157.10077	1.0
159.02876	100.0
159.11703	1.9
161.09601	1.9
161.13235	4.8
170.71057	1.0
173.06026	1.1
173.13251	1.0
187.02380	9.5
188.11900	1.5
189.09058	1.2
203.14293	29.3
204.06580	1.0
219.04903	7.2
219.06641	1.1
219.10094	2.2
219.17422	95.8
220.11757	1.3
221.25543	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1013
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
54.58218	0.8
55.01871	1.1
55.05486	2.1
55.15985	0.9
57.03404	2.7
57.07053	1.5
60.37241	1.1
67.05478	4.1
69.03397	1.3
69.07043	3.0
70.64825	2.8
71.04967	1.4
71.28160	0.8
79.05474	3.4
81.07035	5.3
88.14470	0.9
91.05465	15.5
93.07010	6.2
95.04921	1.6
95.08601	4.6
97.06502	1.6
103.05450	3.9
105.07027	9.1
107.08582	6.2
109.06469	1.9
109.10132	2.4
112.17378	0.8
115.05444	11.4
116.06229	4.3
117.07009	6.2
119.08559	7.6
121.06477	1.5
121.10138	4.5
123.08035	2.2
123.11745	1.1
128.06197	10.7
129.06992	43.2
130.07753	3.8
131.04900	7.7
131.08545	41.0
132.05690	1.4
133.06473	1.2
133.10103	5.4
135.08003	2.7
135.11716	1.5
137.05972	4.6
140.06258	1.1
141.06972	35.1
143.04901	2.0
143.08543	3.9
144.05713	5.6
145.06439	8.4
145.10094	7.2
146.07253	4.9
147.08002	1.5
147.11647	1.9
148.05197	1.8
149.05959	1.4
149.09576	1.9
149.13290	1.1
151.03893	1.9
153.06995	1.3
156.05688	1.2
157.06465	19.9
157.36200	0.8
158.07245	23.2
159.04379	2.9
159.08035	27.1
159.11652	7.4
160.03984	1.2
160.05144	6.0
161.05898	1.6
161.09595	4.6
161.13208	5.6
162.06630	0.9
163.07547	2.2
163.11192	1.8
168.05724	1.5
169.06438	14.4
169.07639	1.6
170.07239	6.6
173.05957	4.6
173.09581	2.3
173.13208	2.8
174.06740	72.3
175.07516	13.9
175.14725	1.4
176.08353	1.1
176.12138	0.9
177.09064	1.6
185.05984	1.1
186.06738	16.4
187.07532	2.5
188.08226	4.3
189.09079	89.7
190.09451	1.8
191.06982	2.4
191.10629	7.0
201.09085	38.7
201.16321	6.1
203.14261	9.5
210.94391	0.9
217.49622	0.9
219.06610	2.5
219.10130	100.0
219.13733	3.1
219.17398	43.8
219.19586	1.2
220.10437	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	219.1014
Annotation	Bitalin A
Peak:m/z	Relative Intensity
50.41961	0.7
55.05497	0.8
57.07066	0.7
57.19873	0.7
58.79412	0.7
67.05492	1.1
69.07073	1.6
69.48634	2.2
69.49057	3.6
79.05468	1.4
81.07066	2.3
91.05461	4.3
93.07056	2.4
95.08566	0.8
98.21505	0.9
103.05461	2.6
105.07033	3.8
107.04983	0.9
107.08585	2.0
115.05439	19.9
117.07019	5.0
119.08598	2.7
121.10146	2.0
123.08064	0.7
127.05485	0.7
128.06213	42.0
129.06979	3.1
130.07779	1.1
131.04910	3.0
131.08571	8.2
133.10121	2.2
135.04419	2.0
137.05763	0.7
141.06996	3.2
143.04926	11.4
143.08554	67.5
144.05714	1.1
144.08875	2.0
145.06479	7.7
145.10109	2.9
147.04385	1.0
147.08035	1.7
147.11702	1.9
149.06018	1.2
153.06989	2.1
155.06039	2.5
156.05667	1.5
157.06471	0.8
158.07317	1.6
159.04424	2.5
159.08075	8.0
159.11681	2.6
161.05962	4.8
161.09651	2.0
161.13251	2.9
163.11160	1.2
171.04385	1.6
171.08041	60.0
172.05186	12.5
172.08382	2.1
173.05966	49.9
174.06670	3.2
175.07542	4.0
175.14879	1.3
185.05922	1.4
186.06755	13.8
189.09103	7.3
201.09094	100.0
201.16403	2.1
202.09454	2.2
203.14337	6.5
212.10844	0.7
219.10168	9.5
219.14020	1.5
219.17426	25.3
220.17738	1.1
224.19221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.45891	0.8
55.61852	0.9
57.03421	1.5
67.05479	1.4
70.68063	1.5
79.05489	1.0
81.07023	1.6
83.08595	1.1
91.05476	12.4
93.07023	2.0
95.04993	1.0
103.05423	3.7
105.07031	4.4
107.08559	1.3
115.05451	12.7
116.06219	4.0
117.07022	4.4
119.04945	1.1
119.08579	1.7
121.10170	1.2
127.54374	0.9
128.06209	12.2
129.06999	45.0
130.04185	0.9
130.07745	3.7
131.04910	9.5
131.08556	40.1
133.10112	1.8
137.05957	3.1
141.06979	40.1
143.04890	2.5
143.08510	2.5
144.05721	5.5
145.06474	7.8
145.10132	2.6
146.07263	6.8
147.04393	1.4
148.05148	2.1
151.07550	1.1
153.06985	1.1
155.06003	1.6
156.05630	1.1
157.06477	23.7
158.07265	23.1
159.04411	4.6
159.08047	31.4
159.11664	2.3
160.05179	5.3
161.06029	1.6
161.09598	3.1
162.06679	1.3
163.07573	2.4
168.05676	1.2
169.06471	16.2
169.07787	1.2
170.07260	8.1
171.08031	1.3
173.05972	5.3
174.06758	79.0
175.07515	10.9
185.05960	1.1
186.06757	20.8
187.07462	4.1
188.08334	2.9
189.09100	94.2
190.09470	2.3
191.07027	2.0
191.10692	8.8
201.09088	41.2
202.09390	1.2
203.14296	2.6
210.72287	0.9
219.10147	100.0
219.17412	9.8
220.10487	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1013
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
52.89078	1.3
67.05502	1.8
70.66348	3.3
70.66689	2.0
91.05472	13.8
93.07001	1.7
103.05441	4.2
105.07026	3.0
107.08581	1.9
115.05449	12.9
116.06220	4.6
117.06977	3.3
119.08543	3.3
128.06197	13.0
129.06993	41.1
130.07726	2.5
131.04912	8.8
131.08551	40.5
133.10115	4.3
137.05945	3.9
141.06976	42.5
143.04826	3.0
143.08522	2.1
144.05676	5.6
145.06458	9.9
146.07240	5.4
148.05177	1.9
157.06470	21.0
158.07254	24.6
159.04393	3.7
159.08037	26.9
159.11737	2.0
160.05176	5.0
160.08557	1.5
161.09561	2.9
163.07547	3.6
169.06464	14.8
169.07678	2.0
170.07239	7.4
171.04428	1.8
173.05962	4.7
173.09593	2.5
174.06752	84.9
175.07515	14.1
177.08966	1.4
185.05905	1.9
186.06754	21.9
187.07460	2.1
188.08214	4.6
189.09085	93.1
190.09470	2.1
191.06960	1.8
191.10634	6.2
201.09084	37.3
201.10959	2.1
203.14278	3.1
219.10135	100.0
219.17398	9.6
220.10442	2.6
227.08498	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05508	1.2
57.03439	1.8
58.94449	1.1
67.05488	2.0
69.07056	1.0
70.08112	3.5
79.05473	1.8
80.68356	0.9
81.07047	3.1
91.05480	11.2
93.07030	2.6
95.08586	2.1
98.97588	3.3
103.05459	3.7
105.07010	4.1
107.08582	3.6
109.10150	1.5
115.05459	10.3
116.06236	2.8
117.07011	3.5
119.08553	3.8
121.10126	3.4
128.06210	9.0
129.06029	2.2
129.06998	42.5
130.07761	3.4
131.04930	7.7
131.08557	37.3
133.06497	1.1
133.10152	3.3
135.08012	1.1
137.05946	3.6
141.06985	35.8
143.05003	1.6
143.08583	2.5
143.73302	1.2
144.05684	5.6
145.06453	7.6
145.10138	3.2
146.07274	4.4
155.05995	1.4
156.05666	1.7
157.06462	23.4
158.07265	23.3
159.04395	3.6
159.08058	28.7
159.11644	2.8
160.05197	5.4
161.05956	2.1
161.09540	3.2
163.07541	3.8
163.11176	1.7
169.06465	18.0
169.07739	0.8
170.07248	9.6
171.07938	2.0
173.05988	4.6
173.09612	2.2
174.06757	78.2
175.07527	13.2
176.08179	1.1
183.08235	1.5
185.05936	1.5
186.06749	19.5
187.07547	2.9
188.08313	4.2
189.09097	98.0
190.09485	2.9
191.06932	1.0
191.10690	7.1
201.09090	44.5
201.16380	4.2
203.14313	4.7
219.10152	100.0
219.17378	20.5
220.10529	2.5
222.70999	1.2
223.37572	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
55.05490	1.6
57.03423	2.2
57.07074	1.1
67.05486	2.7
69.03407	2.6
69.07053	2.1
70.68004	4.2
71.04961	1.2
73.56363	1.3
79.05479	2.6
81.07028	2.1
85.02884	3.8
91.05479	14.2
93.07050	1.5
95.04918	1.2
95.08590	1.6
97.02887	1.3
103.03961	1.4
103.05441	3.2
105.07024	5.1
107.08572	2.4
115.05438	12.5
116.06253	3.4
117.06983	4.3
119.04916	1.5
119.08572	7.3
121.10134	4.9
123.08060	1.4
128.06224	12.7
129.06998	46.9
130.07771	2.2
131.04918	10.4
131.08556	41.7
133.10085	4.7
137.05936	4.6
141.06982	38.7
143.04926	2.0
143.08522	3.0
144.05690	6.2
145.06485	12.8
145.10081	3.2
146.07275	6.0
147.08038	2.5
147.11714	1.7
148.05139	2.2
149.05956	1.3
151.07559	1.6
156.05569	1.6
157.05220	2.1
157.06471	24.5
158.07263	25.5
159.04407	4.4
159.08038	27.4
159.11610	1.9
160.05203	5.6
161.05910	2.7
161.09555	5.1
161.13249	3.4
162.06677	2.1
163.07562	3.1
168.05624	1.1
169.06438	16.1
169.07645	1.5
170.07272	7.2
170.10945	1.2
171.04384	1.4
171.08002	2.2
173.06027	4.3
173.09627	2.8
173.13283	1.4
174.06757	87.8
175.07506	12.9
175.14813	1.7
176.08170	1.2
177.12701	1.7
186.06744	20.5
187.07448	4.3
188.08319	4.6
189.09091	100.0
190.09428	2.0
191.06987	3.0
191.10646	9.5
201.09091	41.0
201.12784	1.7
201.16371	2.6
203.14320	17.0
219.06708	2.4
219.10139	91.9
219.17421	58.8
220.10414	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	219.1014
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03410	1.4
57.07040	1.2
67.05479	2.6
68.04440	1.0
69.07051	1.5
70.06901	4.4
70.07308	1.9
79.05472	3.8
81.07038	3.1
85.02873	1.1
91.05472	15.7
93.07014	3.5
95.08582	1.6
98.97491	1.2
100.56580	1.2
103.05436	3.6
105.07027	5.6
107.04922	1.0
107.08578	3.1
115.05437	13.5
116.06194	4.6
117.07030	5.5
119.08553	5.0
119.95050	1.2
121.06463	1.9
121.10136	5.0
128.06210	12.0
129.06996	46.0
130.07773	2.3
131.04901	11.1
131.08554	43.9
133.10103	4.8
135.04384	1.3
135.07994	2.3
135.11687	1.8
137.05991	6.2
141.06978	42.0
143.04881	2.4
143.08534	3.0
144.05690	6.9
145.06465	12.2
145.10129	4.3
146.07256	5.8
147.04463	1.5
147.08037	4.9
148.05164	1.7
151.07518	1.4
156.05695	1.3
157.06465	21.6
157.07709	1.2
157.10088	1.7
158.07256	24.1
159.04388	3.8
159.08046	30.1
160.05199	5.8
161.05916	1.7
161.09576	4.5
161.13223	3.4
163.07518	1.8
168.05800	1.8
169.06465	17.7
169.07758	1.3
170.07274	6.8
171.08025	1.7
173.06009	6.4
173.09607	1.9
173.13297	2.6
174.06749	84.9
175.07509	13.1
185.05945	1.9
186.06738	20.6
187.07460	4.0
188.08293	3.6
189.09085	100.0
190.09477	3.5
191.07014	1.7
191.10655	8.8
196.86057	1.3
201.09084	38.3
201.16325	1.2
202.09415	1.7
203.14307	17.2
219.10144	92.3
219.17407	54.8
220.10454	2.7
220.17920	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1013
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.40849	1.1
52.34601	1.0
54.17285	1.2
67.05482	1.7
69.07072	2.1
70.99162	2.3
70.99499	2.4
71.01298	1.0
72.83750	1.1
79.05475	2.6
81.07034	3.1
86.46574	1.1
89.29822	1.0
91.05461	17.4
93.07033	5.4
95.08587	3.2
103.05449	3.7
105.07027	14.5
107.08578	4.9
109.10143	2.7
115.05439	10.3
116.06215	3.9
117.07043	5.6
119.08567	6.4
121.10139	3.8
125.09612	1.9
128.06215	12.0
129.06996	49.0
130.07735	2.3
131.04904	8.7
131.08556	46.9
133.10114	15.8
135.11659	2.3
137.05945	4.7
139.60577	1.3
141.06975	37.8
142.07712	1.4
143.04903	1.5
143.08504	1.4
144.05679	5.9
145.06470	9.3
145.10085	5.5
146.03627	1.1
146.07291	5.8
147.11618	2.2
148.05180	1.3
157.06471	20.4
157.07733	1.5
158.07254	23.0
159.04398	3.2
159.08041	29.5
159.11691	4.3
160.05183	5.0
161.09601	4.2
161.13251	2.0
163.07483	2.2
169.06474	17.5
169.07756	2.0
169.08907	1.1
170.07224	8.6
171.08002	1.5
173.05966	4.5
173.09651	2.3
173.13208	3.2
174.06758	82.5
175.07489	12.4
177.12793	1.2
185.05983	1.2
186.06714	19.2
187.07329	1.1
188.08351	4.4
189.09096	99.6
190.09343	2.2
191.10643	8.7
201.09088	47.1
201.10959	2.4
201.16368	4.9
203.14281	8.6
215.42159	1.2
219.10147	100.0
219.17412	33.9
220.10616	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1376
Annotation	4-Methoxy-3-(isopenten-2-yl)acetophenone
Peak:m/z	Relative Intensity
55.05482	1.6
56.63262	0.4
57.07054	1.3
59.24448	0.4
67.05505	1.9
69.07063	2.4
69.07403	0.5
69.43033	3.7
79.05467	1.9
81.07050	4.6
83.04957	1.7
83.08585	0.6
85.06508	0.4
91.05466	5.1
93.07029	3.5
95.04953	1.0
95.08585	2.9
97.06500	1.2
103.05453	1.2
105.07018	6.7
107.04927	1.5
107.08592	3.6
109.06483	1.0
109.10161	2.4
111.08112	1.0
115.05399	2.5
117.06995	4.4
119.04883	0.6
119.08567	6.0
121.06494	7.7
121.10111	4.1
123.08080	0.8
123.11683	1.6
128.06213	0.4
129.06972	1.6
130.04111	0.7
131.04950	2.8
131.08551	3.0
132.05684	0.5
133.06429	2.5
133.10133	3.1
134.07150	0.5
135.08031	1.3
135.11688	1.5
136.05199	1.4
137.05989	1.1
137.13231	0.6
143.04822	0.7
143.08528	0.7
144.05693	1.3
145.06458	3.2
145.10135	5.1
146.07243	17.0
147.04292	0.6
147.08058	4.9
147.11668	1.3
148.13533	0.4
149.05998	0.7
149.09625	2.1
149.13222	0.5
151.07532	7.9
157.06442	0.8
158.07256	1.5
159.08031	11.1
159.11671	3.8
160.08882	2.2
161.05959	4.3
161.09590	1.0
161.13243	3.7
162.06743	5.9
163.07509	1.1
163.11131	2.0
165.09102	1.1
172.08786	1.9
173.05960	0.5
173.08131	0.7
173.09599	11.1
173.13228	0.9
175.07512	7.7
175.14813	1.7
176.08313	6.0
177.09085	95.3
178.09445	1.6
187.11162	1.8
188.08289	0.5
188.11943	16.5
189.09067	3.6
189.12592	0.6
190.09865	12.8
191.10692	2.1
191.14246	0.6
192.06129	0.6
201.09206	0.5
201.16357	4.7
203.14293	5.5
204.11491	3.0
217.12192	0.6
219.13783	100.0
219.17245	29.5
220.14136	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1376
Annotation	4-Methoxy-3-(isopenten-2-yl)acetophenone
Peak:m/z	Relative Intensity
55.05509	0.9
59.04962	0.7
67.05497	1.2
69.07052	1.0
69.72268	0.6
70.55735	2.0
72.97652	0.5
79.05470	2.7
81.07037	2.9
82.06540	0.9
91.05467	4.2
93.07039	1.8
94.87960	0.6
95.08577	1.2
98.20809	0.6
98.49316	0.7
103.05447	1.1
105.07001	2.9
107.04933	4.0
107.08575	1.1
109.06502	0.8
109.10157	0.7
115.05447	2.5
117.07028	2.9
119.08593	3.2
120.09707	0.6
121.06503	4.2
121.10154	1.3
123.11645	1.1
128.06209	1.0
129.06975	2.7
130.04170	0.6
131.04906	1.6
131.08568	1.9
132.05719	0.7
133.06429	2.7
133.10123	2.0
135.08031	1.9
136.05177	1.6
137.05977	1.1
143.04897	0.6
144.05685	1.0
145.06497	2.5
145.10121	1.7
146.06108	1.1
146.07227	7.5
147.04417	0.9
147.08022	9.2
149.05984	0.9
149.09570	0.6
151.07529	8.1
154.16005	0.5
157.06485	2.5
157.07643	1.1
158.07242	3.3
159.08037	7.7
159.11710	2.6
160.08797	3.7
161.05928	3.8
161.09584	2.1
161.13248	1.2
162.06746	9.7
163.07530	1.8
163.11153	0.8
164.08130	1.0
165.09047	0.8
170.94112	0.6
172.08830	3.7
173.09601	31.1
174.06801	1.4
174.09148	2.6
175.07515	22.0
175.09348	1.0
176.08321	7.2
177.09090	23.5
178.09674	1.1
179.10300	1.7
187.11140	3.1
188.08334	1.2
188.10678	1.1
188.11951	28.3
189.07597	1.0
189.09109	9.4
189.10892	0.8
189.11240	0.6
190.09872	27.5
191.10638	5.4
201.16438	1.4
203.08990	2.1
203.14310	2.5
204.07869	1.0
204.11635	8.3
217.12244	0.5
219.13797	100.0
219.17397	11.1
220.13789	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1377
Annotation	4-Methoxy-3-(isopenten-2-yl)acetophenone
Peak:m/z	Relative Intensity
50.68183	0.5
53.03933	0.9
55.01867	0.5
55.05508	3.4
57.07046	1.4
59.04969	1.0
63.13184	0.5
65.03921	0.8
67.05490	3.0
67.19881	0.4
69.03432	0.5
69.07064	3.8
71.04965	0.9
71.74499	0.5
75.04450	0.7
76.18690	0.6
79.05479	8.1
81.06595	1.0
81.07050	16.8
83.04958	1.5
83.08591	1.2
83.47727	0.6
85.06489	0.6
90.10140	0.5
91.05475	10.9
93.07040	4.7
94.04170	0.9
95.04937	1.6
95.08597	5.3
97.06490	1.1
98.20809	1.2
102.04659	0.8
103.05449	2.2
104.06189	0.7
105.06314	0.5
105.07015	9.3
107.04944	5.1
107.08577	5.0
108.05703	1.5
109.06540	2.9
109.10136	3.6
111.08042	0.8
115.05420	3.8
116.06232	1.1
117.06243	0.6
117.07011	9.0
119.04905	1.2
119.07815	0.7
119.08586	8.8
121.06497	17.4
121.10115	4.9
123.08066	2.9
123.11668	1.7
124.05150	1.0
125.09518	0.6
127.62096	0.5
128.06197	0.9
129.06979	3.0
130.04120	0.6
130.07744	0.7
131.04906	5.1
131.08507	2.8
132.05664	1.2
133.06500	4.1
133.10117	4.8
134.03593	1.3
134.07239	0.7
135.04427	2.5
135.08054	3.4
135.11662	2.8
136.04234	0.9
136.05176	9.1
137.05969	4.3
137.09618	0.7
139.07539	0.7
143.04900	1.2
143.08537	1.3
144.05676	3.0
144.09384	0.9
145.06465	7.4
145.07512	0.9
145.10104	5.6
145.90123	0.5
146.07253	31.7
147.04384	2.0
147.08052	11.5
147.11655	1.5
148.05174	0.9
149.06007	3.1
149.09608	2.9
149.13260	0.7
150.06744	1.9
151.07529	37.4
151.11102	0.9
157.06456	2.7
157.10123	1.5
158.07278	3.6
159.08041	16.3
159.11655	5.8
160.08784	4.8
161.05968	6.9
161.09619	2.5
161.13235	4.8
162.06755	12.3
163.07529	4.3
163.11169	3.1
164.08267	0.6
165.09114	4.7
171.11642	0.6
172.08815	3.9
173.09605	27.1
173.13243	1.5
174.06831	1.0
175.07518	16.9
175.14786	2.6
176.08310	8.4
177.09091	100.0
178.09442	1.6
187.11160	5.0
188.11942	29.3
189.09113	10.0
189.12517	1.4
190.09872	20.4
191.10643	5.4
191.14328	0.6
201.16350	6.3
202.09850	0.8
203.14287	9.9
204.11446	8.3
217.12219	0.9
219.10246	2.3
219.13799	91.1
219.17320	41.7
220.14053	2.2
220.17679	0.6
229.09904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1377
Annotation	Chromoarnottione
Peak:m/z	Relative Intensity
53.03920	1.3
55.01842	0.9
55.05508	4.6
57.07063	2.8
59.04963	0.9
62.38696	0.8
62.90487	0.7
67.05499	6.2
68.26102	0.7
69.07062	7.0
69.47733	3.1
69.48170	2.8
71.04989	2.6
71.08630	0.7
76.36872	0.7
79.05480	7.4
81.07049	23.5
83.04975	5.9
83.08598	1.2
91.05449	9.4
93.07037	12.8
95.04965	2.5
95.08591	10.0
95.12698	0.7
97.06532	3.9
103.05444	1.3
105.07022	16.5
107.04950	2.2
107.08583	13.8
109.06520	3.9
109.10159	7.9
111.08043	5.1
115.05483	1.7
117.07014	6.0
119.08570	16.8
119.09366	1.3
121.06496	6.2
121.10140	11.2
123.08044	3.5
123.11694	4.6
125.09619	0.8
128.06213	1.0
129.07005	3.6
130.07813	1.7
131.04893	1.4
131.08557	6.6
133.06503	2.8
133.10121	12.5
135.08049	4.6
135.11668	6.4
136.05217	1.7
137.05963	1.4
137.09615	1.6
137.13228	2.0
143.04926	1.0
143.08543	1.2
144.05769	1.0
144.09290	1.6
145.06470	2.6
145.10110	11.3
146.07224	6.1
147.08034	7.4
147.11638	5.7
149.09634	4.2
149.13280	2.2
151.07520	8.3
151.11172	1.8
157.06512	1.9
157.07651	0.9
157.10123	1.5
158.07291	3.1
158.10883	0.9
159.08055	7.2
159.11671	13.1
160.08821	3.0
161.05974	3.7
161.09576	4.0
161.13254	12.7
162.06749	7.7
163.07512	2.5
163.11159	8.7
165.09178	1.3
172.08745	3.8
173.09608	27.9
173.13257	2.8
173.96213	0.7
174.06718	1.2
174.10269	1.0
175.07530	14.8
175.14754	5.0
176.08328	6.3
176.11978	1.5
177.09090	27.3
177.12752	2.4
177.16364	2.1
187.11142	4.6
188.08263	1.1
188.11948	25.3
189.09114	8.2
189.12628	1.0
190.09874	19.9
190.11511	1.4
191.10596	4.8
191.14377	2.2
191.17903	1.2
201.09213	1.1
201.16362	11.2
203.14293	23.3
204.11452	7.3
205.15895	0.8
217.12286	0.8
219.06598	2.3
219.10237	5.2
219.13829	88.7
219.17377	100.0
220.14122	1.0
220.17757	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1742
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05514	15.8
57.03437	2.2
57.07061	5.8
59.04978	4.2
65.03927	2.7
66.66069	1.7
67.05501	35.8
68.38948	1.8
68.92812	1.9
69.07065	19.0
69.43559	16.7
71.04980	4.9
79.05486	34.6
81.07050	59.2
83.04972	8.5
83.08608	8.2
85.06531	5.1
91.05472	33.3
93.07039	54.3
95.04961	5.9
95.08605	45.9
97.06515	3.9
97.10192	3.0
105.07029	55.8
107.04973	3.6
107.08590	43.5
109.06512	18.9
109.10143	26.7
111.08072	4.1
115.05450	2.7
117.07015	32.8
119.08575	35.8
121.06511	6.1
121.10127	20.8
123.08073	21.3
123.11707	36.7
123.53105	1.7
125.09627	2.3
128.06271	2.4
129.06963	6.2
130.07785	4.8
131.08560	28.2
133.06592	1.9
133.10126	30.7
135.08073	5.0
135.11688	44.9
137.09631	4.5
143.08549	4.4
145.10115	71.4
146.07249	5.7
147.08032	9.9
147.11694	12.1
149.09625	6.7
149.13229	5.1
151.07533	5.3
157.10121	3.3
158.07275	3.7
159.08044	6.2
159.11676	40.9
160.08748	2.1
161.05945	4.7
161.09615	3.3
161.13235	21.2
162.06749	8.8
163.11160	41.7
165.09053	2.2
171.11665	2.6
172.08798	3.3
173.09621	29.1
173.13234	9.1
175.07542	18.6
175.14832	8.6
176.08354	7.6
176.11916	2.3
177.09096	20.1
177.12758	2.3
187.11156	2.9
188.11957	24.4
189.09154	8.8
190.09875	21.8
191.10655	5.8
191.17957	5.3
201.16373	59.9
203.14316	9.4
204.11484	7.7
219.13829	100.0
219.17383	98.6
219.19566	3.0
220.17676	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	220.0966
Annotation	N-Methylswietenidine B
Peak:m/z	Relative Intensity
55.54981	0.3
56.98713	0.4
57.07056	0.5
57.83533	0.3
58.02945	0.4
60.04524	2.0
66.55563	0.3
67.05497	0.5
67.10838	0.3
68.24279	0.3
69.75018	2.2
79.05504	0.8
85.94364	0.3
90.05534	0.8
90.76876	0.3
91.05453	0.5
93.07032	0.7
95.08591	0.6
98.97574	1.2
103.05452	15.4
104.05781	0.5
105.06998	0.7
106.07308	0.5
107.04923	0.5
107.08590	0.5
109.10183	0.3
115.05424	0.8
116.98612	0.8
117.06993	0.9
119.08544	0.4
121.06452	0.6
129.06975	0.3
131.04918	37.4
132.05246	0.9
133.08411	0.8
135.04401	8.2
136.04799	0.4
136.96159	0.4
143.04927	0.8
144.08112	1.7
145.06490	2.0
145.10089	0.9
146.09557	0.5
147.04396	1.0
148.07570	0.9
149.05945	0.4
159.04376	1.0
160.07542	1.2
160.09483	0.5
161.05965	22.8
161.07901	4.0
163.06200	0.4
163.07527	0.5
171.06271	0.7
172.07550	0.8
173.05933	1.0
174.05441	1.0
174.06758	0.6
174.09079	0.4
175.07550	2.6
177.00665	0.6
177.09085	1.2
177.12781	0.5
178.08614	2.4
187.06230	0.5
188.07054	10.3
189.07671	0.7
190.09525	0.6
191.51523	0.3
193.08636	1.1
198.37654	0.4
199.04384	0.8
202.08600	9.5
202.16667	0.5
203.08945	3.2
204.14665	1.1
205.15897	3.0
208.04765	0.7
211.77962	0.4
220.09666	100.0
220.17769	6.5
221.07976	0.4
221.09842	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1178
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
51.08506	0.6
55.01860	1.3
55.05502	1.2
57.07073	6.8
57.24800	0.7
58.64320	0.7
59.04998	5.9
61.02903	0.6
67.05495	6.2
69.07063	5.8
70.02949	8.5
70.92633	1.7
72.04511	15.2
73.02911	3.8
74.02437	1.4
79.05486	0.8
81.07021	0.8
83.04985	1.4
85.06058	1.3
85.06533	12.0
86.09703	2.1
87.08091	2.4
90.05546	100.0
95.04964	7.6
96.08126	2.4
98.02406	14.3
100.03967	2.5
103.07577	7.7
113.05983	4.1
114.27346	0.7
116.03447	14.9
124.07581	19.0
129.44972	0.7
131.07018	1.2
132.10202	0.8
133.10191	0.7
142.08604	8.2
156.10210	1.3
160.09685	2.6
166.08606	2.5
174.11293	1.7
184.09683	17.5
202.08850	1.2
202.10727	24.2
204.14642	1.5
205.15877	2.6
220.09772	1.2
220.11777	24.7
220.17741	4.7
223.26953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.133
Annotation	Norruspoline
Peak:m/z	Relative Intensity
50.54305	0.8
53.03946	1.2
53.25878	1.0
53.44510	0.9
55.05507	2.8
56.05019	4.5
57.05807	2.4
57.07061	1.6
64.04330	0.8
64.09574	0.9
67.05500	1.9
67.65504	1.0
69.07057	2.7
71.08178	2.3
79.05486	2.9
81.07052	2.2
82.06573	24.7
84.04492	1.8
91.05470	5.3
92.05796	2.0
93.07027	2.1
94.07369	1.2
95.05000	1.3
95.08556	2.2
96.08913	1.4
103.05456	5.9
105.07015	5.0
106.07348	2.3
107.04956	13.1
107.08553	2.7
109.06487	1.8
115.05442	2.7
117.07002	3.6
118.96107	1.2
119.04993	1.6
119.08571	2.3
120.08892	1.7
121.06517	3.6
121.10142	1.8
122.10467	1.7
123.04388	1.1
123.07990	1.1
128.06248	1.7
129.06987	3.1
131.04903	2.9
131.08569	1.8
132.04526	1.2
132.05580	1.0
132.08859	1.1
133.06482	1.8
133.10117	1.8
134.10440	2.6
135.08029	3.5
136.05190	2.2
137.06012	1.5
138.06750	2.7
143.08583	2.6
145.06448	4.5
145.10078	2.3
146.06041	2.3
146.07227	2.4
146.09456	1.3
146.10522	1.3
147.04378	1.7
147.06779	3.9
147.07948	2.2
148.07529	1.5
148.11990	1.5
149.05949	2.2
151.07530	24.1
157.06473	4.1
158.03943	1.2
159.06778	1.5
159.08058	3.7
160.07544	1.6
160.08836	1.1
160.12117	2.2
161.06007	4.2
161.08188	1.3
161.09573	1.1
162.05438	1.7
162.06760	6.4
162.09135	1.9
162.13541	1.8
163.06294	2.1
163.07533	14.1
164.07048	4.8
164.08299	2.1
165.09129	1.8
171.08031	1.6
172.07504	1.5
172.08820	11.8
173.05957	6.2
173.08273	1.5
173.09662	1.4
174.09138	16.8
175.07585	1.9
176.07068	3.0
176.10643	5.2
177.09103	4.4
178.08556	5.0
179.09361	3.8
179.10709	4.0
187.09953	1.4
188.08301	17.2
188.10698	12.3
189.08771	2.4
189.11441	10.2
190.08577	17.2
190.10005	1.3
191.09398	4.3
193.12177	1.1
202.16743	3.0
203.08868	1.6
203.10658	23.7
204.10194	19.7
204.14653	3.6
205.08281	1.2
205.09145	1.1
205.10945	10.9
205.15869	9.0
220.09930	3.5
220.13313	100.0
220.17801	22.6
220.20157	1.9
221.11714	24.6
221.13583	2.3
221.18930	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1694
Annotation	Fabianine
Peak:m/z	Relative Intensity
51.30763	0.2
52.33175	0.2
52.40980	0.2
55.05507	0.3
57.07077	0.2
65.10074	0.2
67.05514	0.4
71.52366	0.3
79.05466	0.3
81.07070	0.6
82.07367	0.2
90.05557	0.4
91.05475	0.6
93.07037	0.5
95.04965	0.3
95.08611	0.6
98.02439	0.2
98.06052	0.2
105.07005	0.7
106.07391	0.3
107.08594	0.5
109.06543	0.2
111.08092	0.2
117.09904	0.2
118.06532	10.1
119.08577	0.5
120.08131	0.2
120.08918	0.4
121.10143	0.3
122.10418	0.2
130.07413	0.2
131.08598	0.2
132.08052	2.7
132.08902	0.4
133.08867	1.4
133.09842	0.2
134.09644	0.7
134.10527	0.4
142.07384	0.2
145.10149	0.2
146.09602	3.2
147.10393	0.2
147.11826	0.2
159.07968	0.3
160.10995	0.2
160.12138	0.4
161.05983	0.4
161.12033	0.3
162.09129	5.7
162.10483	0.3
162.13675	0.3
163.09807	0.3
175.07405	0.6
176.07893	0.6
176.10739	3.6
176.14331	26.5
177.09119	2.0
177.11433	1.2
177.14679	0.4
190.09430	0.6
190.12254	3.2
191.12921	0.2
202.09399	0.4
202.15758	0.9
203.10744	0.3
204.14540	0.7
205.15889	1.6
220.16933	100.0
221.09694	0.3
221.17252	2.6
235.53047	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0918
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
53.03942	1.2
55.01856	1.9
55.05500	2.6
57.07067	2.7
59.06129	0.7
67.05506	3.3
69.03412	1.2
69.07060	3.4
71.01332	3.5
71.04987	0.6
71.52229	1.1
79.05492	2.5
79.75417	0.6
81.07039	4.4
82.02919	1.6
83.04990	0.7
83.08612	2.4
85.02884	0.9
85.61595	0.7
91.05442	6.5
93.07044	2.1
94.06564	4.1
95.04953	1.4
95.08582	3.7
97.02888	1.4
103.05469	3.2
105.07027	7.0
106.06550	0.9
107.04965	3.3
107.08576	3.4
107.34187	0.6
109.02834	0.8
109.06507	1.8
109.10152	3.4
111.08063	3.8
115.05447	5.0
117.05695	1.0
117.07021	2.9
118.54742	0.7
119.04947	1.5
119.08566	5.9
120.08115	1.7
121.06507	5.0
121.10144	2.2
123.04452	1.6
123.08131	1.1
123.11716	1.2
128.06215	10.3
129.06999	25.1
130.06514	53.7
131.04922	5.0
131.06895	1.1
131.08556	1.1
132.04445	38.4
133.06491	3.8
133.10135	2.9
134.06000	4.9
135.08072	1.4
135.11714	1.0
137.02306	0.8
137.06004	2.4
137.09605	2.5
139.05370	1.0
140.98364	0.7
143.04883	1.6
145.06503	4.2
145.10037	0.8
146.06010	0.8
147.04443	4.0
147.06354	1.9
147.08090	5.4
147.09149	1.4
147.11696	2.1
148.07564	3.5
149.06003	1.6
151.07571	1.2
151.11185	1.2
153.09114	2.3
155.06041	1.8
157.06480	18.9
157.07645	20.6
158.05994	74.0
159.06482	1.3
160.05182	3.7
160.07605	2.2
161.05956	9.3
161.09583	0.9
161.13243	1.2
162.05452	9.4
162.06534	0.8
163.07553	2.0
165.05449	1.3
165.09140	2.2
165.12721	0.8
167.08900	0.7
173.06006	1.5
174.06807	1.3
175.07541	9.1
175.08702	100.0
175.14851	2.4
176.07112	2.9
176.09050	2.0
177.09103	1.7
179.10684	1.0
185.05943	9.2
186.05388	3.9
191.07007	0.9
193.04929	1.4
193.08664	1.5
193.15852	3.4
203.06987	36.6
203.14342	0.8
203.18013	1.5
204.06508	13.4
206.16228	2.5
221.04489	2.4
221.09520	20.0
221.11755	1.3
221.13229	0.9
221.15388	4.3
221.18329	2.7
222.11288	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1169
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
53.03939	0.7
55.01856	0.8
55.05500	2.4
57.07054	1.1
59.05023	0.5
67.05505	2.4
69.03406	0.5
69.07057	2.8
70.40582	1.9
71.04995	0.5
79.05499	2.5
81.07044	4.5
82.06580	0.7
83.04980	0.8
83.08584	0.8
91.05459	4.8
93.07034	3.5
95.05003	0.9
95.08592	4.5
103.05421	0.6
105.07025	4.6
107.04959	2.8
107.08578	3.9
108.05772	0.8
109.06521	1.5
109.10144	3.3
111.11703	1.7
115.05431	0.7
117.07005	1.3
117.40871	0.4
119.04958	0.8
119.08575	4.0
121.06511	2.8
121.10133	1.6
123.04431	0.6
123.08090	0.8
123.11666	1.4
124.05172	0.8
128.06227	1.7
128.36719	0.4
129.06981	1.7
131.04926	0.8
131.08533	0.9
132.05719	0.9
133.06479	1.1
133.10147	2.5
135.04385	1.1
135.08006	1.0
135.11664	1.2
136.05180	7.2
137.05972	1.4
137.09557	0.6
138.06728	4.5
139.07555	1.1
139.11174	0.5
143.08554	2.3
145.06467	2.1
145.10118	0.9
146.07249	1.6
147.04364	1.3
147.08015	2.6
147.11678	2.8
148.08830	0.9
149.05951	1.0
151.07523	67.7
151.11148	2.1
152.07893	0.9
153.09006	0.7
157.06494	1.1
158.07182	0.8
159.08020	1.1
160.08789	1.0
161.05956	1.9
161.09589	2.9
161.13239	2.2
162.06737	1.7
163.07466	1.2
163.11139	1.4
163.14793	1.5
164.08307	4.2
165.05469	1.7
165.09103	1.8
171.08047	1.3
172.08795	5.4
173.05972	3.5
174.06702	0.5
175.07547	3.3
175.09442	0.6
175.11174	0.5
175.14815	1.3
177.09030	2.3
179.07021	0.9
179.09108	0.8
179.10651	13.3
188.08310	13.3
188.10020	0.7
189.09105	2.2
190.09900	1.8
190.11716	0.7
191.07104	0.6
191.08969	0.7
191.10599	1.1
193.08582	0.6
193.12231	4.0
193.15845	0.6
203.10645	21.5
203.17978	3.8
204.10971	1.3
205.08609	1.4
206.09512	0.8
221.04398	1.2
221.11696	100.0
221.15318	2.7
221.18997	4.5
222.12141	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	221.1169
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
55.05488	3.4
59.04991	1.2
60.54466	1.0
65.32043	1.2
67.05487	5.2
69.07042	3.9
70.27356	4.8
71.04980	1.3
73.06170	2.1
73.06542	21.7
77.62719	1.1
79.05492	5.5
81.07045	9.9
83.08627	1.3
85.06528	1.5
87.67644	1.1
91.05465	16.6
93.07021	5.0
95.04987	1.8
95.08592	10.4
97.06548	1.7
103.05460	7.5
105.07018	15.8
107.04937	8.5
107.08563	8.3
109.06516	2.5
109.10162	9.3
111.08099	1.5
115.05441	17.0
116.06234	8.3
117.06998	11.7
119.04847	1.7
119.08537	8.2
119.26617	1.1
120.05730	1.3
121.06478	11.3
121.10137	5.6
123.08075	1.7
123.11705	4.4
127.05427	1.7
128.06203	21.3
129.06990	18.2
130.07780	2.9
131.04909	24.5
131.08524	6.0
132.05675	3.1
133.02835	2.0
133.06447	4.2
133.10110	7.0
134.03670	1.5
135.08047	9.3
135.11656	3.1
136.05186	2.1
137.05957	5.8
137.09581	1.3
137.13251	1.4
141.06964	1.3
142.04134	2.2
143.04909	31.2
144.05684	18.8
145.06464	40.9
146.07248	15.4
147.08026	23.7
147.11664	10.0
148.05153	5.2
149.05946	4.5
149.13199	1.1
150.06708	4.6
151.07542	12.5
151.11116	1.4
152.08311	4.8
153.09099	3.4
155.04878	2.7
155.06026	2.8
156.05707	1.5
157.06438	4.2
157.07610	2.7
157.70581	1.2
158.07253	85.5
159.04414	19.2
159.08032	16.1
160.05087	1.4
160.08813	37.9
161.05997	6.8
161.09624	11.1
161.13223	4.5
162.06790	1.4
163.07530	20.8
163.14786	4.1
164.08420	1.1
165.09082	4.8
165.12827	1.2
172.08821	3.0
173.05933	4.3
174.06752	75.9
175.07535	26.9
175.14832	1.4
176.08313	7.0
177.05457	1.6
177.09088	4.3
178.09904	10.0
179.07008	3.5
181.08583	1.7
188.08324	5.8
189.09084	100.0
190.09862	19.3
191.07010	11.2
191.10652	19.1
203.10638	2.3
203.17937	12.0
206.09383	12.5
221.11703	65.1
221.18983	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	221.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.2
55.01847	0.2
55.05499	0.3
57.03413	0.4
57.07059	0.3
67.05486	0.6
69.07047	0.2
70.63364	0.2
71.04954	0.2
71.51630	0.2
71.52042	0.3
79.05482	0.6
79.09486	0.2
81.07028	0.6
83.08570	0.2
91.05461	1.6
93.07018	0.7
95.04926	0.4
95.08585	0.6
97.02899	0.2
98.97543	0.3
103.05482	0.2
105.07007	1.6
107.04967	0.4
107.08569	0.6
109.06514	0.6
109.10126	0.5
111.08006	0.4
115.05452	1.8
115.18696	0.2
116.06236	0.9
117.06998	5.5
119.04863	0.2
119.08603	0.8
120.05740	0.2
121.06505	1.2
121.10141	0.4
123.07999	0.4
123.11704	0.2
128.06224	1.4
129.06955	0.5
130.06494	0.6
131.04967	0.4
131.08534	0.3
132.05618	0.3
133.06494	1.4
133.10104	0.7
134.07265	1.0
135.08037	1.0
135.11653	0.2
137.05937	0.3
137.09612	0.3
143.04916	0.2
143.08519	1.3
144.05664	0.5
145.06485	1.4
147.04366	0.8
147.07996	0.5
147.11624	0.4
149.05911	0.4
149.09605	0.3
149.13210	0.2
151.07513	0.3
153.09100	0.3
153.20430	0.2
158.05971	0.5
159.04384	0.2
159.08034	0.2
160.05194	0.5
161.05956	1.4
161.09564	0.4
162.06741	6.2
163.07469	0.3
165.08887	0.2
171.08023	0.6
175.07527	3.5
175.08968	0.2
175.11157	0.5
175.14825	0.2
176.07030	0.3
177.09082	100.0
178.09479	1.6
179.10622	0.3
179.14276	0.2
182.18495	0.2
189.89427	0.2
193.04927	0.2
193.08546	0.2
203.03508	0.2
203.07028	0.4
203.10637	0.7
203.14342	0.4
205.14853	0.3
206.05701	0.2
206.16261	0.3
208.12628	0.2
221.04420	0.4
221.07980	0.6
221.11629	1.5
221.15306	0.9
221.18086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07057	0.2
52.49942	0.2
55.01849	0.2
55.05502	0.5
57.07069	0.2
67.05487	0.4
69.03412	0.3
69.07042	0.5
70.86011	0.2
70.86349	0.4
78.72903	0.2
79.05470	0.7
81.07051	1.3
83.04971	0.7
83.08592	0.3
91.05485	1.5
93.07040	1.0
95.04955	0.4
95.08600	1.1
103.05453	0.5
105.07033	2.1
107.08573	0.7
109.06493	0.3
109.10139	0.6
115.05453	1.8
116.06229	0.9
117.07010	5.7
119.04936	0.5
119.08559	1.3
121.06425	0.4
121.10101	0.7
128.06184	1.2
129.06944	0.5
131.04900	0.4
131.08601	0.2
133.06490	1.1
133.10109	0.8
134.07260	1.5
135.08058	1.1
135.11667	0.4
143.08589	1.3
144.05669	0.7
145.06496	0.9
145.10057	0.3
147.04401	0.3
147.08035	0.7
147.11667	0.8
149.05923	0.2
151.07532	0.5
157.06451	0.2
157.09998	0.2
159.08058	0.2
159.11691	0.4
160.05148	0.4
161.05939	0.8
161.09633	0.6
161.13237	0.8
162.05489	0.4
162.06758	5.9
163.07510	0.2
165.07066	0.3
165.09096	0.3
171.08017	0.9
173.05956	0.2
175.07535	2.5
175.11185	0.3
175.14867	0.4
177.09094	100.0
178.09462	1.8
185.13284	0.2
193.06479	0.2
193.08417	0.3
193.15836	0.2
203.10681	0.6
203.14330	0.6
203.17958	0.4
221.08037	0.7
221.09879	0.3
221.11725	0.8
221.15332	1.2
221.17339	0.9
222.11250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
59.60777	0.2
62.97979	0.2
65.61826	0.2
67.05481	0.5
69.03387	0.2
69.07066	0.2
69.71765	1.2
71.04984	0.3
79.05464	0.7
80.35494	0.2
81.07047	1.6
91.05460	1.5
93.07042	1.0
95.08570	0.8
98.97557	0.3
103.05435	0.6
105.07009	1.2
107.08590	1.3
109.06505	0.3
109.10135	0.3
115.05439	1.4
116.06229	0.6
117.06229	0.3
117.07014	5.0
119.04894	0.4
119.08540	1.0
120.05611	0.2
121.06451	0.4
121.10095	0.3
123.11684	0.4
128.06209	1.2
129.07008	0.3
131.04948	0.3
131.08528	0.4
133.06502	1.2
133.10077	0.9
134.07265	0.9
135.08023	0.7
135.11670	1.5
137.05911	0.2
141.07079	0.2
143.08536	1.1
144.05699	0.6
145.06442	1.2
146.07227	0.3
147.04442	0.3
147.08028	0.7
147.11623	0.7
149.02283	0.6
151.07545	0.2
160.05164	0.3
161.05936	0.7
161.09604	0.3
161.13246	0.5
162.06740	5.3
162.46146	0.2
171.08017	0.6
175.07541	3.6
175.11172	0.3
176.75746	0.2
177.09082	100.0
178.09407	1.8
179.89584	0.2
197.21895	0.2
203.10652	0.6
203.17928	0.7
221.07907	0.3
221.11693	0.5
221.15344	0.4
221.18973	0.8
230.16940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Flossonol
Peak:m/z	Relative Intensity
55.01855	1.3
55.05489	1.9
57.07067	0.8
59.04993	0.8
60.03733	0.6
67.05486	2.9
68.78657	0.5
69.07048	2.6
69.30484	3.3
69.30911	2.3
71.04970	0.9
79.05466	5.3
81.07042	7.2
83.08596	1.4
85.06506	1.3
91.05468	5.8
93.07040	4.8
95.04938	1.4
95.08607	5.6
103.05445	2.8
105.07018	8.9
107.08575	4.7
109.06512	1.2
109.10142	5.3
111.08078	0.9
115.05436	6.6
116.06227	0.8
117.07011	4.3
119.04956	0.8
119.08559	6.5
121.06461	0.7
121.10130	2.7
123.11682	2.1
124.62440	0.6
125.09615	0.7
128.06201	35.4
129.07007	3.0
131.04924	6.5
131.08553	6.0
133.06479	2.9
133.10121	4.3
135.11659	2.0
137.05960	3.4
137.09569	1.2
141.06943	2.1
142.07768	1.4
143.04907	1.7
143.08539	45.0
144.05711	2.2
145.06465	10.3
145.10126	2.2
147.04442	1.0
147.08032	1.4
147.11638	2.5
149.13254	0.7
151.03842	2.1
151.07515	3.1
153.06961	1.1
155.06033	1.8
156.05621	1.1
156.29001	0.7
157.06468	1.3
158.07193	0.7
159.04393	5.7
159.08035	7.2
159.11635	1.1
160.05173	8.4
160.08818	3.3
161.05997	5.2
161.09584	1.3
161.13251	5.2
162.06696	1.2
163.07523	2.0
163.14746	1.5
165.12735	0.8
171.08031	50.1
172.08806	3.0
173.04572	1.1
173.05951	7.5
174.06744	24.3
175.07530	28.9
175.11174	1.8
175.14778	2.7
176.08220	0.9
177.09077	6.5
179.10597	1.0
185.09683	0.7
185.13173	1.2
188.08302	31.6
189.05486	0.7
189.08937	1.0
191.10616	3.0
193.08609	2.0
203.10646	100.0
203.14429	2.3
203.17889	1.9
204.10936	2.0
206.05701	0.8
206.16196	1.3
221.08260	3.1
221.11667	5.8
221.15186	4.4
221.18951	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	221.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07220	0.4
53.03930	0.6
55.01867	0.5
55.05511	2.7
57.07053	1.7
67.05499	5.1
67.26715	0.4
69.03413	0.9
69.07063	3.8
71.04990	2.2
71.52799	0.5
76.77570	0.4
79.05154	0.4
79.05493	4.4
81.06586	0.7
81.07049	11.5
83.04929	0.7
83.08606	2.0
85.06529	1.2
91.05469	9.1
93.07035	6.4
95.04952	1.4
95.08597	9.8
97.06514	0.8
97.10156	1.0
99.08093	0.6
99.59011	0.4
103.05444	2.0
104.06228	1.7
105.07021	11.5
107.04919	1.3
107.08578	7.4
108.39478	0.4
109.06505	1.2
109.10153	6.9
111.04453	0.4
111.08052	1.2
111.11646	0.5
115.04691	0.7
115.05444	8.1
116.06268	0.6
117.06222	0.8
117.07011	10.4
119.04918	1.4
119.08577	9.3
121.06494	1.8
121.10138	4.5
123.08052	1.5
123.11703	3.1
125.09605	1.4
128.06197	3.7
129.07014	2.3
130.07756	1.1
131.04919	3.3
131.08531	1.3
132.05698	5.2
133.06497	3.7
133.10123	5.8
135.08044	2.1
135.11674	3.7
137.05972	0.9
137.09613	1.2
137.13260	0.6
139.11143	0.5
142.07733	0.5
143.08514	3.3
144.05666	1.0
145.06467	6.8
145.07545	0.9
145.10115	3.3
146.07260	7.1
147.04398	1.8
147.08063	4.6
147.11679	8.8
149.02237	0.5
149.09589	0.6
149.13252	2.0
151.03886	2.0
151.07516	1.3
151.11208	0.9
157.06471	0.6
159.08043	1.9
159.11598	0.5
160.05186	4.2
160.08804	3.9
161.05983	4.2
161.09613	7.7
161.13248	3.8
162.06737	10.1
163.07510	1.3
163.11276	0.7
163.14798	2.9
165.06987	0.8
165.09131	0.8
165.12694	0.9
167.39099	0.5
171.08029	1.8
172.08810	0.8
173.05954	1.8
174.06905	0.5
175.07532	100.0
175.11119	16.5
175.14792	1.9
176.07895	1.3
177.09081	3.0
177.16377	1.0
178.07745	1.2
185.09605	0.6
185.13293	0.5
188.08360	3.4
189.05412	0.8
191.07025	1.0
193.08583	2.6
193.10081	0.5
203.10657	32.6
203.14395	1.3
203.17932	9.1
206.16211	1.2
221.04253	0.9
221.07838	2.4
221.09683	1.2
221.11621	6.3
221.15367	2.1
221.19011	10.4
222.11308	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Flossonol
Peak:m/z	Relative Intensity
53.03944	0.7
55.01878	1.5
55.05505	1.4
55.67968	0.5
56.96572	0.8
57.03437	1.2
57.07070	1.3
59.04996	0.6
65.03940	1.2
67.04964	0.4
67.05498	2.9
69.03442	2.6
69.07054	0.8
70.15339	1.4
70.15750	1.1
71.04988	1.9
73.02918	1.0
73.91483	0.4
76.84701	0.4
79.05477	3.8
79.30580	0.5
81.03412	1.3
81.07048	2.3
83.04974	1.8
83.08598	0.8
85.02908	1.7
89.03904	0.6
91.05463	11.2
93.07046	2.4
95.04958	1.6
95.08593	2.2
97.02891	3.0
97.06499	0.9
98.97574	0.9
102.04684	0.6
103.05474	2.9
104.06255	1.8
105.07014	9.6
107.04939	3.3
107.08555	2.3
109.02904	0.6
109.06530	1.7
109.10166	1.4
111.08062	1.1
115.05441	9.7
116.06274	0.8
117.03373	0.9
117.07005	18.5
119.04946	2.6
119.08572	6.0
121.06479	6.2
121.10154	1.3
123.08072	1.0
124.05208	0.5
125.06021	0.5
128.06207	14.4
129.07018	3.9
130.07806	0.7
131.01875	0.6
131.04924	4.5
131.08557	2.5
132.05687	6.1
133.06493	5.2
133.10130	2.0
134.07201	0.7
134.10875	0.8
134.54953	0.5
135.04659	0.8
135.08083	2.7
135.11685	0.8
137.05972	4.5
137.09569	0.7
141.07016	1.0
142.07759	1.3
143.04895	0.6
143.08537	9.0
144.05708	1.6
145.02812	1.9
145.06458	10.6
145.07510	0.9
145.10130	3.2
146.07263	6.8
147.04398	3.3
147.08031	8.5
147.11638	2.0
149.06020	2.3
149.09589	1.9
151.07579	0.9
153.07010	0.6
155.06071	1.1
157.06522	1.1
157.10114	0.9
158.07257	1.1
159.04401	2.9
159.08055	2.6
159.11702	1.0
160.05186	6.5
160.08813	5.7
161.05977	6.0
161.09587	9.3
161.13243	1.5
162.06744	11.0
163.03973	0.6
163.07518	1.9
165.05435	0.8
165.09068	2.2
170.07117	0.7
171.08051	4.1
172.08815	2.4
173.06007	1.8
173.09590	0.6
174.06752	2.2
175.07524	100.0
175.11111	13.3
175.14775	1.2
176.07951	1.2
177.05489	2.0
177.09088	28.9
178.09546	0.6
179.03400	0.5
179.07025	1.6
179.10620	1.2
181.03468	0.7
185.09605	0.9
185.13251	0.8
187.07539	0.9
188.08321	5.5
189.05441	0.7
191.03304	1.1
191.07069	0.7
193.04872	0.7
193.08594	2.7
193.12224	0.9
193.15846	0.7
195.04915	0.7
203.10643	30.9
203.14343	1.5
203.17949	0.7
206.05640	2.5
206.16153	1.0
221.04395	1.1
221.08342	8.5
221.11690	49.4
221.15305	3.1
221.18170	1.0
221.58614	0.6
222.11308	1.0
226.06792	0.9
244.07912	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Flossonol
Peak:m/z	Relative Intensity
55.01875	0.9
55.05491	1.9
57.07054	1.4
62.01239	0.4
65.03934	0.6
65.12014	0.4
66.64078	0.4
67.05496	5.6
69.03407	0.7
69.07055	3.4
71.04980	1.6
71.52882	0.8
79.05484	3.2
81.06585	0.6
81.07050	10.5
83.04954	0.6
83.08607	1.1
85.06530	1.1
91.05460	8.9
91.06013	0.6
93.07040	6.1
95.04954	1.2
95.08598	10.1
97.06505	0.5
97.10146	1.2
103.05444	1.8
104.06213	0.8
105.07026	11.7
107.04952	1.1
107.08585	7.5
109.06486	1.4
109.10146	6.0
111.04482	0.4
111.08043	1.0
111.11772	0.4
115.05444	7.8
116.06247	0.8
117.07001	11.5
119.04946	1.4
119.08572	10.2
121.06476	2.2
121.10133	3.7
123.08038	1.3
123.11667	3.4
125.09611	1.0
128.06204	3.9
129.07008	2.2
130.07751	0.5
131.04919	2.6
131.08546	0.8
132.05682	4.2
133.06462	3.5
133.10115	5.6
135.08002	2.5
135.11681	3.7
137.05927	1.1
137.09593	1.3
137.13226	0.9
139.11235	0.8
143.04878	1.1
143.08540	3.4
144.05702	1.6
145.06459	6.5
145.10107	2.9
146.07243	6.9
146.08299	0.7
147.04385	1.5
147.08034	4.9
147.11653	7.3
149.13232	1.5
151.03870	2.5
151.07516	1.3
151.11115	1.1
157.06548	0.5
159.08121	2.0
159.11661	0.6
160.05205	4.2
160.08809	3.6
161.05975	4.5
161.09592	7.6
161.13223	3.9
162.06743	9.8
163.03909	0.7
163.07513	0.5
163.11200	0.5
163.14801	1.8
165.06845	0.6
165.09084	1.0
165.12759	1.0
171.08034	1.5
172.08842	0.7
173.05971	1.0
175.07527	100.0
175.11104	14.4
175.14790	1.4
176.07918	2.0
177.09103	3.5
177.12457	0.5
177.16380	1.1
178.07625	0.8
179.06999	0.6
185.13269	1.0
188.08318	3.7
189.05418	1.0
191.07045	0.6
193.08604	2.8
193.10037	0.5
193.15891	0.7
196.65570	0.4
203.10646	35.3
203.14265	1.4
203.17949	9.2
204.11055	0.8
206.05772	0.9
206.16101	0.6
211.88046	0.4
221.04379	1.1
221.08034	3.3
221.09834	0.6
221.11649	7.2
221.15356	2.7
221.19017	9.2
222.11305	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1171
Annotation	Flossonol
Peak:m/z	Relative Intensity
50.71704	0.7
55.01866	1.4
55.05502	5.1
56.96561	1.0
57.03430	0.7
57.07049	2.4
58.64024	0.8
65.10970	0.6
67.05514	4.9
69.07068	8.1
69.29124	7.7
71.04968	0.9
73.72449	1.0
74.48254	0.7
79.05508	3.9
81.07053	9.8
82.06566	1.8
83.04967	1.1
83.06889	0.8
83.08601	1.4
84.08130	1.8
85.06513	1.7
91.05468	7.8
92.05814	1.2
93.07037	6.2
95.04945	2.1
95.08604	7.2
97.06541	1.1
98.20771	1.2
101.08459	0.7
103.05460	1.0
104.06232	0.9
104.71748	0.8
105.06496	0.8
105.07042	8.2
107.04935	5.0
107.08586	6.4
108.05219	1.4
109.06508	1.2
109.10142	6.0
111.08080	1.9
111.11697	5.4
113.09569	0.8
115.05454	1.3
116.12035	0.7
117.07001	3.2
119.04951	1.3
119.08545	5.4
121.06512	4.3
121.10132	3.7
122.06861	1.0
123.04438	1.7
123.08038	1.5
123.11720	2.9
124.05216	1.5
125.09657	0.8
128.06219	2.0
129.06993	3.4
131.04942	2.7
131.08525	1.2
133.06465	2.9
133.10133	3.8
134.07233	1.0
135.04387	2.0
135.08073	1.8
135.11717	2.1
136.05174	9.7
137.05945	3.4
137.09654	0.9
138.06737	5.9
139.07538	1.3
143.08553	2.3
144.05724	0.8
145.06488	6.1
146.07295	4.3
147.04402	3.5
147.08096	4.6
147.11703	7.9
148.08641	1.1
149.05956	2.5
150.06770	1.7
151.04057	1.5
151.07532	65.0
152.07909	3.9
156.05600	0.8
157.06474	2.5
158.07156	1.7
159.08064	2.4
160.08786	1.3
161.06020	1.7
161.09622	4.9
161.13261	1.6
162.06757	5.5
162.08980	1.1
163.07425	2.8
163.09581	1.0
163.14825	2.2
164.04695	4.5
164.07047	1.2
164.08339	13.2
165.05469	1.9
165.07515	0.7
165.09077	7.0
172.08813	15.0
173.06000	8.7
173.09294	2.6
174.06671	1.4
175.07559	8.3
175.09482	3.8
175.14822	1.8
177.05530	1.3
177.07739	1.0
177.09129	5.9
177.16518	0.8
178.06212	1.1
178.08446	1.3
178.09798	2.6
179.07056	3.5
179.09314	0.8
179.10684	14.1
188.08310	31.0
189.08884	4.4
189.11011	1.9
190.08514	0.8
190.09883	6.0
190.11865	5.2
191.07011	2.3
191.09029	2.4
191.10626	1.5
192.07834	0.9
192.10272	1.5
193.04958	1.8
193.08565	3.2
193.10672	1.1
193.12268	10.1
203.10654	50.2
203.17937	7.2
204.11133	3.9
205.08551	2.0
205.10526	2.4
206.09351	2.4
206.11322	1.4
221.08087	4.4
221.11728	100.0
221.13799	12.5
221.19003	12.0
222.11955	2.6
222.14940	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	221.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24604	0.2
55.05504	0.3
56.87759	0.2
63.02385	0.2
67.05489	0.6
69.03395	0.3
69.07037	0.3
69.37235	0.3
69.37563	2.0
73.10838	0.2
74.97153	0.2
79.05482	0.5
80.01164	0.2
81.07042	0.7
81.45396	0.2
91.05472	1.4
93.07040	0.7
95.08586	0.6
98.97566	0.8
101.62536	0.2
103.05457	0.4
105.07013	1.2
107.08565	0.6
109.10130	0.6
115.05441	1.3
116.06221	0.7
116.34549	0.2
116.98676	0.2
117.07005	4.7
119.04921	0.4
119.08553	0.8
121.06448	0.4
121.10095	0.5
123.65520	0.2
128.06209	1.0
131.04901	0.5
131.08488	0.3
133.06479	1.3
133.10101	0.6
134.07292	1.2
135.08063	1.0
135.11580	0.3
143.08530	1.2
144.05672	0.8
145.06477	1.2
147.04364	0.3
147.08075	0.3
147.11661	0.4
149.09653	0.5
151.07573	0.3
157.06413	0.3
160.05209	0.7
160.08705	0.2
161.05980	0.8
161.09540	0.3
161.13290	0.5
162.06734	5.3
162.28995	0.2
171.07997	0.8
175.07529	2.6
175.11169	0.3
177.09081	100.0
178.09436	1.7
186.37366	0.2
203.10664	0.6
203.14275	0.3
221.07881	0.3
221.11613	0.5
221.15318	0.4
221.18964	0.3
222.11374	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1534
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
50.01369	1.8
52.80769	1.7
53.03931	2.7
55.01858	1.9
55.05507	9.5
57.03425	2.0
57.07068	2.2
65.03934	2.4
65.16007	1.6
67.05505	10.8
69.03460	2.3
69.07063	5.5
70.85516	3.6
70.85853	3.4
71.04986	2.6
79.05477	10.3
81.07047	18.4
83.04973	4.5
91.05466	25.2
93.07032	17.9
95.04929	3.9
95.08598	13.3
97.06544	2.4
103.65334	1.8
105.07018	100.0
107.08580	10.4
109.06512	4.5
109.10140	4.4
115.05478	6.1
115.16749	1.9
117.07011	19.6
119.08577	37.9
121.06474	3.6
121.10124	4.7
123.04498	1.9
123.08039	2.3
127.30585	1.8
128.06190	13.6
129.07010	24.8
130.07758	5.2
130.52473	1.8
131.08546	64.9
132.08891	1.8
133.06520	3.0
133.10121	17.0
134.10841	1.6
135.08052	2.4
136.86153	1.6
137.09546	2.0
141.07007	5.2
142.07767	27.1
143.08551	53.1
144.09328	22.2
145.10109	47.9
147.08061	4.3
147.11670	33.2
155.08537	5.9
156.09357	6.9
157.10114	76.0
158.10724	3.4
159.11681	93.0
161.06004	2.5
161.09647	7.3
161.13260	5.2
163.11118	2.9
170.10925	7.0
172.12497	11.7
173.13254	48.4
175.07619	3.9
175.11130	2.7
175.14780	10.4
177.05470	2.7
185.13243	63.0
193.15820	2.2
203.14291	47.2
206.16351	2.0
221.08070	7.2
221.11856	4.1
221.15324	32.7
221.18726	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.96935	2.3
55.05504	15.6
57.03705	2.5
57.07057	12.3
59.04985	2.9
67.05502	24.5
69.07063	19.0
71.04994	3.7
71.19596	5.5
79.05471	10.8
81.07052	58.4
83.04952	6.0
83.08604	11.1
85.06543	6.1
89.48076	2.5
91.05472	12.5
93.07040	33.9
95.08601	65.0
97.06511	6.2
97.10159	4.5
99.56464	2.2
105.07028	54.6
107.08582	53.9
109.06537	6.2
109.09453	4.9
109.10150	56.0
111.08072	12.6
119.07774	4.5
119.08574	48.2
121.10128	29.2
123.08009	4.3
123.11690	27.8
125.09621	3.8
125.27290	2.4
133.10121	33.2
135.11714	14.8
137.09602	6.8
137.13264	9.7
139.11128	4.4
147.11664	56.0
149.13264	10.3
151.11183	7.6
161.13228	30.1
163.14806	17.7
165.12721	10.2
175.14835	11.0
177.16354	5.1
203.17934	89.2
218.58357	3.1
221.18997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.93831	1.6
53.03948	1.9
55.01881	1.6
55.05510	12.7
57.07062	6.3
59.04981	2.5
60.32542	1.8
67.05497	14.4
69.03412	2.6
69.06787	1.6
69.07063	19.0
70.09502	6.4
71.04971	5.2
79.05476	9.9
81.07042	28.7
83.04974	1.9
83.08619	8.4
85.06528	3.5
91.05465	12.4
93.07034	26.1
95.04950	3.4
95.08596	42.7
97.06503	2.3
97.10151	8.6
99.08032	2.9
105.07014	27.9
107.08586	50.5
109.06504	6.5
109.10145	26.0
111.08059	4.9
111.11625	2.1
119.08563	46.9
121.10124	19.6
123.08046	5.7
123.11685	17.4
125.09622	8.3
131.04997	1.8
131.08524	2.1
133.06476	3.1
133.10117	35.3
135.11679	100.0
137.09622	8.0
137.13232	15.2
139.11168	3.3
145.10143	2.4
147.11664	37.0
149.13217	8.1
151.03877	2.8
151.11200	8.9
160.05295	2.1
161.05983	3.7
161.13266	14.0
162.16786	1.7
163.14784	11.1
165.12711	14.6
175.07492	2.1
175.14845	4.1
177.05524	3.5
177.09082	4.9
177.16402	2.7
188.08322	2.7
193.08580	3.4
203.10674	3.8
203.14201	2.5
203.17920	48.8
221.07979	14.4
221.11624	4.0
221.15375	5.1
221.18997	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.06114	1.3
55.01863	3.0
55.05262	1.9
55.05506	24.7
57.07061	6.8
59.04976	1.8
62.38214	1.3
67.05499	29.9
69.07066	15.9
69.85676	9.1
71.04988	2.6
71.08622	1.5
71.57452	1.5
76.39042	1.4
79.05493	9.5
81.06580	2.5
81.07048	39.0
81.64269	1.3
83.08612	21.6
85.06532	4.9
91.05462	13.4
93.07028	20.9
93.58011	1.3
95.04958	3.1
95.08597	55.3
97.06512	1.4
97.10143	2.2
103.05423	1.7
105.07020	46.7
105.41003	1.6
107.08577	36.8
109.06509	5.0
109.10142	100.0
111.08087	7.0
113.09643	6.6
119.08565	38.2
121.10136	21.4
123.08067	8.5
123.11700	22.6
125.09635	6.7
133.06462	3.5
133.10129	21.1
135.07967	1.9
135.11682	13.0
137.05838	1.6
137.09592	3.7
137.13184	1.4
139.11185	2.2
145.10085	3.7
147.10490	2.7
147.11665	47.3
149.13237	15.4
151.03877	3.3
151.07501	2.5
151.11174	12.7
159.11670	2.1
161.05974	3.5
161.13243	19.1
163.14813	10.2
165.12671	8.0
166.21501	1.9
175.07515	4.1
175.14830	6.2
177.09114	3.8
177.16376	4.8
185.13211	1.7
193.08476	2.6
195.27675	1.4
203.10696	1.9
203.17932	73.7
221.04393	1.8
221.07813	2.9
221.11566	3.1
221.15370	3.7
221.18996	77.4
222.19289	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	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.34797	1.6
52.04466	1.5
53.03919	2.0
55.05508	9.6
57.07074	9.6
59.04988	5.7
61.20864	1.7
67.05495	14.9
68.03016	1.5
69.03378	1.8
69.07061	20.0
71.04971	5.1
71.06945	2.9
79.05489	16.4
81.07050	35.3
83.04964	3.0
83.08595	7.4
85.06539	8.4
85.49379	1.5
86.26669	1.5
91.05447	14.6
93.07033	40.1
95.04926	2.7
95.08594	54.4
97.06516	7.9
97.10155	2.9
99.08050	1.6
103.05441	2.2
105.07018	63.6
105.34543	1.7
107.08578	86.7
109.06543	2.8
109.10143	32.2
111.08050	4.5
115.05520	2.4
117.07003	2.0
119.07697	2.2
119.08566	45.6
121.06498	1.8
121.10124	34.2
123.08057	6.0
123.11690	14.2
125.09605	1.8
129.07074	1.7
131.08524	3.0
133.06451	1.7
133.10112	30.9
135.11674	26.2
137.09608	4.7
137.13213	1.5
145.06476	2.0
145.10069	3.8
147.04431	2.1
147.07982	2.2
147.11674	68.2
149.13199	9.3
151.03888	3.1
151.07532	3.6
151.11143	4.5
155.95474	1.6
161.05980	4.7
161.13234	32.8
162.06729	2.8
163.14799	47.3
163.61455	1.6
165.09070	3.9
165.12723	9.2
165.42368	1.6
172.08780	1.9
175.07555	10.0
175.14828	7.3
176.04739	1.9
177.09131	5.1
177.16380	12.5
188.08264	2.7
191.06953	3.0
193.08626	3.6
196.01906	1.6
203.10649	7.3
203.17929	100.0
221.04346	2.3
221.08080	5.2
221.11755	3.8
221.15385	6.3
221.18990	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05508	23.4
57.07064	12.0
67.05500	35.4
69.07068	17.1
70.68472	4.0
71.04980	10.4
79.05482	13.5
81.07054	38.3
83.04978	2.8
83.08617	18.9
85.06528	6.8
91.05470	16.6
93.07043	27.7
95.04963	3.5
95.08604	61.9
97.10146	3.2
97.11635	2.0
99.08077	2.3
105.07022	61.1
105.28371	1.8
107.08588	45.6
109.06499	5.6
109.10149	89.0
111.08068	6.7
112.32783	2.0
113.07117	2.0
113.09638	5.9
119.08572	49.4
121.06484	2.4
121.10130	23.8
123.08056	8.9
123.11691	21.0
125.09626	6.4
127.07546	2.1
131.08540	3.3
133.10129	31.2
135.11690	14.7
137.05942	2.9
137.09584	8.9
137.13191	2.2
139.11194	2.8
145.06537	1.9
145.10005	2.4
147.11674	100.0
149.13252	32.0
151.07474	4.4
151.11176	13.8
160.12456	2.6
161.06000	4.9
161.13232	20.4
163.14832	15.2
165.12781	12.7
175.07552	6.9
175.14832	4.2
177.09137	4.6
177.16389	3.5
188.08298	2.7
203.10736	4.8
203.17946	93.3
221.04440	4.1
221.08087	2.3
221.11795	8.9
221.15662	4.0
221.19006	96.6
222.19499	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	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.53440	2.1
53.03937	2.8
53.33192	1.7
55.01875	2.0
55.05505	21.8
57.03416	1.9
57.07071	10.8
58.52845	1.8
59.04985	3.0
59.40260	1.8
67.05497	27.9
67.64487	1.7
69.06724	2.3
69.07066	30.2
70.78711	2.0
70.79065	6.0
71.04975	7.2
79.05489	15.5
81.06577	4.4
81.07049	71.2
83.04964	8.0
83.08613	11.4
85.06530	6.7
91.05467	14.7
93.07036	35.0
95.08596	81.2
97.06519	6.3
97.10169	4.4
98.92721	2.4
105.07019	63.9
107.08584	61.5
109.06495	7.0
109.10152	58.7
109.10711	1.1
111.08075	16.1
119.07702	3.0
119.08567	59.4
121.06511	2.6
121.10125	30.4
123.08046	12.2
123.11692	28.3
125.09616	4.0
133.10121	43.3
135.07986	2.0
135.11679	16.3
137.09633	8.7
137.13203	6.0
139.11214	3.6
147.08035	2.3
147.11661	59.5
149.13239	10.9
151.07574	6.5
151.11165	7.6
153.12685	2.9
161.13248	40.2
163.14828	22.8
165.05455	4.2
165.09108	2.3
165.12726	11.3
175.14807	14.2
177.16383	4.9
179.14195	3.1
188.08249	2.8
193.04910	3.4
203.10703	6.7
203.17947	82.2
204.18291	2.7
221.07991	2.8
221.11708	8.5
221.15701	12.9
221.18993	100.0
222.19341	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	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03936	9.1
55.05511	29.4
57.07062	21.8
67.05501	37.6
69.07063	40.0
71.04972	16.7
71.52217	7.7
79.05469	33.5
81.07053	70.7
83.04948	7.3
83.08612	24.6
85.06551	9.2
91.05466	45.4
93.07030	53.6
95.04958	15.8
95.08591	88.8
97.06510	11.8
97.10137	6.8
105.07017	83.2
107.04935	5.7
107.08579	70.3
109.06533	7.0
109.10149	85.3
111.08083	21.1
115.05441	8.4
117.07026	7.5
119.08569	67.9
121.06490	16.1
121.10141	46.1
123.08058	15.7
123.11694	22.5
128.23111	5.8
129.07008	7.9
129.48122	5.8
131.08572	8.2
133.06503	11.9
133.10097	58.5
134.14247	5.6
135.11691	23.6
137.05977	15.0
137.09656	5.9
137.13272	6.7
139.11153	7.6
143.08585	8.5
145.06468	11.7
145.10132	11.6
147.04306	9.1
147.08054	13.3
147.11674	95.4
149.13266	16.7
150.88100	5.4
151.07509	28.8
151.11197	13.7
159.08023	7.5
159.11580	6.9
160.08807	7.7
161.09653	8.9
161.13228	35.0
162.06851	9.6
163.11154	8.0
163.14807	23.9
165.05441	9.5
165.09143	13.6
165.12747	18.4
172.08820	8.8
173.06013	7.3
175.07509	31.6
175.14812	22.1
177.09087	11.4
177.16376	7.5
179.07140	6.7
179.10625	6.3
188.08331	32.2
193.04965	19.8
193.08614	18.7
193.12202	10.0
193.15970	5.7
203.06960	8.1
203.10634	61.9
203.14436	9.8
203.17958	85.6
206.16275	16.9
221.04472	16.1
221.08009	29.3
221.11584	55.5
221.15337	21.9
221.19032	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05499	14.7
57.03425	2.3
57.07068	4.6
59.04985	2.2
65.91416	1.6
67.05495	22.4
69.07063	22.8
70.60435	1.7
70.97491	2.7
70.97812	2.4
71.04985	3.5
71.39468	1.5
73.06559	2.0
79.05472	7.1
81.06583	2.8
81.07050	43.8
83.04983	2.2
83.08605	7.4
84.84409	2.0
85.06539	3.8
91.05463	13.2
91.96600	1.5
93.07039	20.3
95.08598	70.5
97.06535	18.7
97.10158	7.9
103.21833	1.7
105.07020	30.1
107.08569	31.3
109.06501	3.0
109.10148	81.2
111.08068	18.7
111.11712	5.2
117.07020	1.7
119.08569	39.0
121.10123	20.1
123.08055	10.1
123.11683	24.5
125.09630	5.0
127.11174	4.0
130.42471	1.7
130.47729	1.6
133.10123	27.0
135.11693	13.1
137.09592	10.7
137.13251	8.1
147.11671	33.6
149.13193	9.7
151.07507	2.6
151.11169	5.0
153.12730	4.7
161.13225	18.8
163.14786	9.6
165.12724	5.8
169.19640	1.9
175.07545	2.7
175.14804	10.6
177.16328	2.9
192.82927	1.6
202.93185	1.5
203.17928	68.0
204.18277	1.9
205.09099	2.1
221.11856	2.6
221.18987	100.0
234.59100	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05513	15.7
57.03436	2.8
57.07056	9.7
59.04985	5.7
67.05495	31.7
67.84068	2.4
69.06793	2.4
69.07066	29.3
71.04982	7.0
73.06549	4.9
77.61578	3.0
79.05480	14.3
81.07047	59.7
83.04980	3.2
83.08611	10.1
85.06532	3.3
91.05466	15.5
93.07033	28.5
95.04962	5.1
95.08598	92.0
97.06515	11.9
97.10130	8.0
105.07029	38.4
107.08585	54.0
109.06533	4.8
109.10146	58.9
111.08073	11.9
111.11716	4.9
115.05491	4.5
117.07004	3.9
119.08574	48.2
121.06556	4.9
121.10127	35.9
122.71250	2.3
123.08080	4.9
123.11694	25.4
125.09621	6.0
128.06203	3.2
129.07005	5.2
131.04918	5.2
131.08597	3.1
133.10112	42.6
135.08073	3.1
135.11656	18.7
136.05154	2.6
137.05936	6.1
137.09590	5.9
137.13251	8.3
139.11212	2.7
143.04930	5.2
144.05714	3.7
145.06480	10.4
146.07239	3.7
147.08058	4.0
147.11671	46.2
149.13254	12.3
151.07562	7.9
151.11203	6.6
151.14825	4.4
158.07245	13.8
159.08168	4.0
160.08821	5.8
161.06023	5.0
161.09578	3.3
161.13255	27.1
163.07549	5.2
163.14807	33.0
165.09106	2.9
165.12714	8.1
167.59204	2.6
174.06760	18.2
175.07553	9.3
175.14780	14.1
177.16380	15.5
178.09805	2.8
188.08403	4.6
189.09068	19.2
190.09970	6.3
191.10602	3.1
193.19501	3.8
203.10672	7.2
203.17937	87.5
208.45859	2.5
221.04533	4.7
221.08243	5.1
221.11732	22.6
221.15587	5.1
221.19008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03955	0.7
55.05507	2.7
57.03419	0.6
57.07064	1.0
67.05501	2.4
69.07055	1.9
69.82641	2.9
70.81245	0.4
71.04996	2.8
79.05485	3.1
81.07054	9.4
83.08608	1.3
85.06545	0.6
88.07529	0.5
91.05471	4.1
93.07038	6.4
95.04990	0.9
95.08611	5.9
97.06532	0.5
98.21565	0.5
99.08087	0.7
103.05448	0.8
105.07036	5.8
107.08601	9.0
109.06510	0.8
109.10154	4.1
111.08083	1.2
113.09570	0.4
115.05427	1.6
117.07012	5.4
119.04930	0.6
119.08583	8.1
120.05714	0.5
121.06451	0.7
121.10130	2.1
123.08067	1.1
123.11687	2.6
124.67822	0.4
127.11146	0.6
128.06200	1.3
129.06993	0.8
131.04881	0.5
131.08578	0.7
133.06458	1.5
133.10118	5.0
134.07263	1.7
135.08058	0.8
135.10693	1.0
135.11679	13.1
137.09567	1.1
143.08543	1.5
144.05708	0.9
145.06480	1.4
145.42673	0.5
146.07150	0.5
147.04395	1.4
147.08046	0.9
147.11691	4.3
149.02342	1.5
149.13271	1.3
151.07518	0.5
159.08041	0.5
160.05208	0.7
161.05972	1.1
161.09641	0.8
161.13235	3.0
162.06764	5.0
163.07434	0.6
163.14839	1.5
165.12675	0.6
171.08023	0.7
175.07529	6.2
175.11101	0.6
175.14749	0.8
177.09100	100.0
178.09430	2.4
193.08614	0.9
203.10670	1.9
203.14424	0.7
203.17908	5.3
221.08098	1.6
221.11746	1.8
221.15509	2.2
221.18994	7.0
221.22089	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.66930	1.3
52.79357	1.3
53.00290	1.2
53.03928	1.8
55.05510	9.2
57.07063	3.2
58.30314	1.3
59.69801	1.2
65.03925	2.0
66.20071	1.2
67.05212	1.2
67.05505	9.9
69.07072	11.4
70.84697	1.6
70.85000	2.8
71.04990	23.1
79.05484	14.1
79.88284	1.3
81.07053	55.2
83.04974	1.7
83.08608	3.3
85.06567	1.9
90.13625	1.2
91.05471	9.3
93.06476	2.1
93.07043	34.6
95.04974	1.4
95.08591	25.4
97.06522	2.8
97.10149	2.9
99.08096	4.7
105.07027	25.0
107.08587	58.2
108.08887	1.9
109.06482	3.3
109.10157	20.3
111.08087	1.9
117.06931	1.7
119.06033	1.4
119.08568	37.2
121.10119	10.7
123.08054	1.4
123.11693	14.6
125.09576	1.5
127.11176	4.7
133.10118	26.2
135.11682	100.0
137.09592	4.6
137.13245	2.5
145.10110	4.5
147.11682	18.9
149.13272	7.4
151.11174	4.1
161.13217	10.3
163.11183	1.8
163.14793	4.1
165.12692	2.3
175.14815	2.9
177.09123	3.7
177.16309	2.5
178.49382	1.4
203.10538	1.9
203.17952	32.4
221.18993	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
51.99434	1.7
53.03932	2.2
55.05500	17.6
57.07059	3.9
59.04988	4.4
67.05499	15.3
69.07056	32.3
70.79254	3.9
71.04981	26.9
72.43868	1.7
79.05482	22.5
81.07042	100.0
83.04958	2.7
83.08599	7.0
85.06532	2.4
91.05474	15.0
93.06470	3.3
93.07027	46.5
95.04933	4.0
95.08589	40.4
97.06516	4.1
97.10149	2.8
99.08054	3.4
103.05441	3.2
105.07014	42.7
107.08575	49.8
109.06503	7.1
109.10129	32.5
111.08088	3.4
111.11709	3.8
115.05461	2.0
117.06992	2.8
119.08556	55.4
119.98518	1.7
121.05504	1.6
121.06429	2.8
121.10131	15.8
123.08019	4.8
123.11681	16.8
125.09613	6.8
127.11156	4.7
128.06294	2.2
131.04904	2.6
133.06496	3.8
133.10091	21.3
135.11670	68.1
137.06009	1.9
137.09581	2.8
137.13184	2.5
139.11134	2.0
143.08519	2.8
147.04294	2.5
147.11670	24.7
149.13277	13.2
151.11125	3.4
161.05945	4.2
161.09612	3.4
161.13248	12.3
162.06654	2.0
163.14789	4.3
165.12698	2.3
174.96738	1.8
175.07495	4.4
175.11020	1.8
175.14812	5.2
177.09088	18.6
178.53880	2.1
179.10701	2.0
193.08548	3.7
203.10527	2.0
203.17920	34.6
221.04414	2.1
221.07875	2.6
221.11650	2.4
221.15373	5.0
221.18967	62.7
222.11191	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	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.02390	1.8
53.03926	1.9
55.05502	13.5
57.03416	3.3
57.07054	8.1
59.04993	2.6
67.05495	29.8
69.07063	26.5
69.82851	12.1
71.04980	3.4
72.22726	2.0
79.05488	15.2
81.07052	52.0
83.04963	2.2
83.08615	12.3
85.06530	8.7
91.05476	21.6
91.96805	2.1
93.07033	36.3
95.04977	2.9
95.08600	72.1
97.06515	6.9
97.10146	5.0
99.08096	3.4
105.07024	43.7
105.95814	2.0
107.08590	47.3
109.06544	4.4
109.10144	53.6
111.08064	8.3
117.07006	3.9
119.08573	58.1
121.10137	34.8
123.08038	4.8
123.11698	18.5
125.09653	4.7
127.11187	2.6
133.10117	58.9
135.08015	2.7
135.11697	10.7
137.06062	2.5
137.09590	3.0
137.13240	4.8
143.08553	2.9
145.10132	2.7
147.11685	56.9
149.13245	19.7
151.03879	2.6
151.07533	11.4
151.11185	10.0
161.05980	8.5
161.13255	25.8
163.14824	17.0
165.12744	8.8
171.08003	2.6
175.07562	4.5
175.14772	11.3
177.09045	3.7
177.16347	18.6
179.07019	3.5
188.08359	3.1
189.09085	4.7
203.10609	3.2
203.17941	94.9
221.08162	3.3
221.11713	13.7
221.15428	4.2
221.19000	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1122
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
56.05032	0.8
60.04509	3.0
76.06338	0.6
103.05453	52.3
104.05801	0.7
117.06944	0.8
122.03649	0.9
131.04910	100.0
132.05241	0.7
135.07999	0.7
137.04988	1.2
137.05949	12.2
141.10876	0.7
145.06465	1.4
148.07559	3.1
161.05876	1.1
161.08357	4.5
163.07523	52.6
164.07845	1.0
165.16617	0.6
175.07578	1.3
176.07033	8.6
177.09158	1.4
180.10181	6.2
185.34583	0.7
189.07799	5.7
190.08595	8.2
191.09190	0.8
204.10191	2.9
207.08875	10.0
222.11224	94.3
223.11629	1.4
229.33096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
56.05018	0.6
56.86685	0.5
60.04522	3.5
61.49838	0.4
66.47495	0.4
70.98662	0.9
70.99042	0.9
77.03862	0.5
79.05496	0.8
83.08620	0.7
87.52904	0.5
91.05478	0.4
95.04973	0.5
98.06033	0.4
103.05456	48.2
104.05733	1.0
107.04894	0.6
115.05457	0.5
117.07007	0.9
119.94017	0.4
122.03632	0.7
130.06511	1.0
131.04916	92.6
132.05270	1.0
135.08052	0.7
137.05971	11.6
141.14700	0.4
145.06458	1.3
148.07568	3.3
148.08611	0.6
149.05945	0.5
151.07523	0.4
155.02791	0.4
161.06036	0.7
161.08357	4.5
163.07529	47.8
164.07933	1.0
175.07582	0.5
176.07047	9.8
176.08516	0.5
177.09143	1.0
179.10655	0.7
180.10194	5.8
189.07820	5.6
190.08614	10.7
190.40160	0.5
191.09216	0.5
191.10782	0.6
204.10129	2.6
207.07184	0.3
207.08876	9.0
222.11227	100.0
223.11554	1.3
232.75612	0.6
234.71230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1123
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
52.14841	0.5
56.05021	0.7
60.04231	0.7
60.04511	4.2
60.04762	0.5
65.29345	0.5
70.08060	2.8
81.07058	1.3
95.08625	0.6
96.08942	0.7
97.18797	0.5
98.21513	0.6
103.05462	50.3
105.07047	0.8
108.08922	0.6
110.10516	0.7
117.07023	0.9
120.08871	0.6
122.03642	1.0
123.40562	0.6
128.72643	0.6
131.04924	94.7
132.05240	1.2
134.10437	0.6
137.05983	13.2
138.06319	1.7
143.04860	0.5
145.06470	1.4
146.06874	0.8
148.07565	2.4
148.12053	0.7
152.04277	0.7
161.05974	0.7
161.08365	3.9
162.09195	0.6
163.07541	53.9
164.07939	0.8
172.08455	0.6
175.07555	1.0
176.07027	9.6
177.09149	1.4
180.10193	5.3
189.07787	6.1
190.08626	10.4
204.10333	1.8
204.18256	1.0
207.08934	9.4
220.06438	0.5
222.11237	100.0
223.11588	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1485
Annotation	(+-)-Carnegine
Peak:m/z	Relative Intensity
55.01862	0.5
55.05497	0.7
56.06767	0.4
56.96532	0.5
62.21419	0.5
66.21162	0.5
67.05473	0.5
68.04967	0.5
69.03396	0.9
70.06584	0.6
70.20950	1.2
70.21352	0.9
71.04967	0.5
79.05502	1.1
81.03399	0.8
81.07065	0.7
85.02884	0.8
91.05466	2.6
92.05807	0.6
93.07011	1.1
95.08586	0.6
97.02856	0.7
98.17542	0.6
98.97559	1.5
103.05459	1.3
105.07005	1.9
107.04929	1.2
107.08567	1.2
107.18881	0.5
109.06537	0.5
111.42715	0.5
115.05447	0.7
116.98643	0.6
117.07011	2.3
119.04887	0.8
119.08571	1.9
121.06493	3.7
123.08086	0.6
129.06938	0.9
130.06512	0.9
131.04866	3.3
131.08528	0.7
133.06480	1.3
134.07118	0.9
135.07990	1.4
137.05949	1.6
144.05624	1.1
144.08870	0.7
145.06471	3.9
146.05933	0.6
147.08034	2.8
148.07605	0.8
148.08751	1.3
148.11192	0.6
149.02287	0.8
149.05977	3.6
149.09567	0.8
150.06685	3.1
151.07515	1.9
159.08051	2.9
160.08818	19.5
161.06018	2.6
161.08311	2.2
161.09506	1.2
163.07529	4.0
164.08315	10.7
165.07767	1.1
165.09090	13.2
166.09747	0.6
167.07013	1.4
174.10402	0.8
175.07513	0.8
176.07071	0.9
176.08308	9.0
176.10602	0.8
178.08580	1.3
178.09898	8.0
179.03419	0.6
179.10651	58.0
180.10980	1.2
190.12305	1.8
191.10643	32.6
192.10915	0.5
193.12251	16.6
204.10985	1.0
205.12282	2.9
207.12517	1.0
208.03586	1.4
222.11320	3.5
222.14857	100.0
223.06001	1.8
223.15163	2.5
225.04266	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	223.0599
Annotation	Fraxidin
Peak:m/z	Relative Intensity
53.03934	0.5
68.99788	0.5
70.66281	1.2
79.05480	0.5
81.03416	0.7
93.06995	0.4
94.04182	0.6
107.04945	0.4
107.08603	0.6
109.02878	0.7
125.83340	0.4
135.04364	0.7
137.02342	5.5
139.07523	0.4
145.30612	0.4
152.04677	6.4
163.03882	1.5
165.01826	12.7
167.07025	2.1
179.03377	1.3
180.04161	6.0
193.01311	54.8
194.01738	0.7
208.03653	84.4
209.03951	2.3
223.05992	100.0
224.06328	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	223.0598
Annotation	K 251-1
Peak:m/z	Relative Intensity
51.23935	0.3
53.03941	0.4
55.01844	0.3
55.05487	0.3
55.08570	0.3
57.03417	0.4
59.04976	0.4
64.02499	0.3
67.01836	0.4
67.85441	0.2
68.99790	0.7
69.03410	0.6
70.97669	0.8
78.04678	0.7
79.05479	1.1
81.03398	0.7
83.04948	0.5
91.05457	1.0
93.07021	0.4
94.04172	0.5
95.04948	0.8
95.08578	0.4
105.03375	0.4
105.07030	0.5
106.04148	0.5
107.04942	5.7
109.02870	0.8
117.07001	0.5
119.08526	0.3
121.02892	0.3
121.06489	0.3
121.10120	0.5
123.04430	0.4
123.08062	0.3
124.05179	0.7
131.04832	0.3
134.03615	1.8
135.04385	2.5
135.08015	0.5
135.11720	0.3
137.02321	4.1
137.05981	0.4
145.06448	0.4
145.10106	0.4
147.04359	0.7
149.02306	0.8
149.05992	0.4
149.09618	0.3
151.03870	0.6
152.04662	5.1
159.11729	0.3
162.03098	6.3
163.03876	4.0
163.07507	0.4
163.11194	0.3
165.01807	9.6
167.07007	1.8
175.65669	0.3
175.83611	0.3
179.03357	2.5
180.04147	4.9
181.08502	0.3
181.12236	0.4
190.02582	6.7
190.04277	0.4
191.03311	0.6
193.01300	39.4
194.01843	1.5
195.06487	0.6
202.44931	0.3
205.12172	0.6
207.02863	2.7
208.03639	70.7
209.04015	1.4
223.05977	100.0
224.06291	2.4
225.04242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93750	0.4
53.03946	0.5
55.05496	0.7
57.07077	0.7
65.03925	0.7
67.05483	1.2
69.03413	0.5
69.07047	1.0
78.04713	0.4
79.05489	4.3
80.06247	0.7
81.03418	0.6
81.07036	1.8
83.04972	0.4
91.05466	4.0
93.07034	1.4
95.04968	1.2
95.08591	1.4
97.06512	0.7
103.05457	3.1
105.07021	8.0
106.04156	0.4
107.04939	7.4
107.08552	1.1
108.05698	2.8
109.06512	1.0
109.10144	0.8
111.08105	0.6
117.07042	0.5
118.04118	1.8
119.04913	0.9
119.08548	0.9
120.05705	1.1
121.02863	0.6
121.06493	3.6
121.10133	1.2
122.07254	0.7
123.08052	1.1
124.05238	0.4
131.04878	0.7
131.08569	0.9
133.06477	6.6
133.07466	0.8
134.07245	4.5
135.04398	5.9
135.08041	2.9
135.11699	0.6
136.05203	4.8
139.07504	1.5
145.10120	0.8
146.12849	0.4
147.04390	1.8
149.02313	2.8
149.05960	1.0
150.06744	17.4
151.07527	100.0
152.04645	0.6
152.07840	1.6
161.05919	0.8
162.03191	0.8
162.06749	13.2
163.03888	1.2
163.07452	1.2
163.11165	0.9
165.01808	0.7
165.09099	55.5
166.09395	1.0
167.07121	0.7
177.05470	0.8
177.09097	1.0
193.01306	0.8
193.08592	39.5
194.08897	0.6
198.88927	0.5
208.03728	3.1
223.05965	6.8
223.07494	0.5
223.09441	4.3
223.11578	0.5
223.13281	1.3
223.16743	2.1
225.04294	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.169
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03931	4.2
55.01857	6.3
55.05275	1.7
55.05504	18.9
57.03415	5.1
57.07067	3.4
65.03910	2.2
65.21380	1.6
67.05500	52.2
69.03410	8.7
69.07059	19.4
71.04985	9.9
71.44196	2.2
79.05485	42.7
81.03403	2.2
81.07048	76.9
83.04971	29.2
83.08593	8.1
85.06537	7.2
91.05469	45.4
93.07037	64.9
94.42284	1.5
95.04942	8.3
95.08598	73.2
97.06506	11.6
97.10147	7.3
99.04430	2.2
101.06007	22.7
105.07018	74.0
107.04926	3.9
107.07867	3.2
107.08581	44.3
109.06486	8.9
109.10148	57.8
111.08064	4.5
113.05988	5.6
115.05454	3.0
115.07561	18.3
116.06229	2.0
116.56728	1.6
117.07007	21.1
119.08566	48.8
121.06503	2.6
121.10126	25.8
123.08047	8.6
123.11679	10.2
127.07528	5.0
128.06146	1.8
129.06999	2.8
130.07755	3.2
131.08557	44.5
132.09320	1.7
133.10126	27.2
135.04285	1.8
135.08005	3.7
135.11670	11.3
137.02301	2.0
137.09590	5.7
141.09085	7.5
143.08551	3.9
145.10114	58.8
146.10811	1.9
147.11690	16.5
149.09616	3.7
149.13237	19.8
151.11179	6.0
153.09108	2.4
155.10616	1.7
157.10107	3.3
159.11673	26.0
161.13239	37.5
162.03125	1.8
163.07491	1.6
163.11159	4.7
163.14761	3.7
165.01764	3.2
167.10648	1.9
175.14801	6.5
177.09169	1.6
177.12732	1.7
177.16353	5.4
178.09459	1.7
179.09674	6.3
179.14255	9.8
180.04012	1.6
187.14812	37.7
193.01305	14.1
205.12175	1.7
205.15862	17.4
208.03648	20.6
223.05960	32.8
223.16908	100.0
224.17264	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	223.1691
Annotation	Rishitin
Peak:m/z	Relative Intensity
51.80758	1.1
53.03933	5.2
55.01860	9.1
55.05263	1.6
55.05508	18.9
55.20382	1.4
57.03417	5.1
57.07058	4.1
59.05021	1.5
65.03930	2.2
67.05502	53.1
69.03433	6.7
69.07064	18.5
70.10632	5.5
71.04979	10.4
77.03946	1.6
78.04704	3.9
79.00854	1.1
79.05490	43.5
80.56041	1.4
81.03432	2.1
81.07053	76.6
83.04979	29.1
83.08621	7.1
85.02914	1.7
85.06522	5.4
91.05479	42.2
93.07042	57.4
95.04971	9.3
95.08604	73.7
97.06512	10.1
97.10154	4.9
99.04443	2.6
101.06016	22.2
103.05446	2.9
105.07027	73.3
106.04153	4.0
107.04969	3.5
107.08590	42.7
109.06534	7.4
109.10149	50.7
111.08060	5.3
112.87585	1.4
113.05983	5.6
115.05444	1.4
115.07560	15.6
116.06237	2.3
117.07006	21.0
119.08575	46.5
121.06470	3.5
121.10146	26.0
123.08062	6.7
123.11703	7.3
125.09578	1.9
127.07528	4.0
129.06992	2.2
130.07759	4.2
131.08556	41.2
133.10132	25.8
135.04396	1.9
135.08014	3.1
135.11679	11.6
137.09633	4.1
140.71233	1.4
141.09111	9.4
143.08543	3.6
144.09331	2.5
144.31734	1.3
145.10118	57.8
146.10782	2.4
147.11691	15.2
149.02333	3.0
149.09584	5.3
149.13255	18.6
151.11185	7.5
157.10133	2.3
158.11011	1.6
159.11682	25.6
161.13252	28.8
162.03127	21.5
163.03867	3.6
163.11177	3.4
163.14803	4.6
165.12807	1.6
175.14807	4.4
177.09042	2.0
177.16348	2.8
178.09467	2.9
179.03419	2.8
179.09697	6.2
179.14285	8.6
187.14813	31.6
190.02582	15.7
193.01335	5.6
193.08669	1.6
193.10419	2.2
195.06416	1.4
205.08678	3.2
205.15881	16.0
207.06419	1.5
208.03679	17.4
223.05984	57.6
223.11525	3.0
223.16917	100.0
224.06435	1.6
224.12801	2.1
224.17229	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	224.0043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.3
65.03930	0.9
67.50174	0.2
68.05000	0.3
69.65774	0.2
70.66127	0.2
70.66479	0.6
71.18961	0.2
73.01122	0.2
79.05470	0.2
83.04985	0.2
92.23003	0.2
98.00607	0.2
99.02672	1.4
109.31959	0.2
111.04413	0.3
112.02184	0.4
113.02959	9.3
114.03737	0.7
126.03720	20.6
127.04047	0.3
132.08075	0.4
144.04761	100.0
145.05164	1.0
164.06934	0.3
178.08606	0.4
201.00534	0.3
224.00423	17.4
224.09155	0.5
224.12891	0.2
225.00739	0.3
226.04269	0.7
228.02242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37114	0.7
60.59555	0.6
62.23066	0.7
65.48051	0.6
70.85497	2.1
79.80167	0.6
82.99848	1.5
84.96019	1.4
96.58209	0.6
98.97603	0.9
101.00260	1.3
101.00871	13.5
101.04577	0.7
110.74132	0.7
111.36720	0.7
111.93932	0.7
118.63408	0.7
119.01914	58.7
120.02045	2.1
134.99857	3.7
137.02951	17.3
140.98827	1.1
141.23294	0.7
142.03464	4.8
152.70013	0.8
153.00909	2.7
158.99873	4.8
160.04584	1.0
161.02966	0.9
175.03032	1.1
177.00940	100.0
178.01027	6.1
179.00748	1.4
179.03987	1.4
179.72353	0.7
182.03159	0.9
182.99788	2.0
193.04105	2.2
195.01982	2.4
200.02531	1.8
201.00821	5.2
201.02449	1.9
202.01031	0.8
202.02727	1.0
217.04068	9.6
219.01988	82.4
220.02112	12.0
221.01833	1.7
225.00720	3.9
242.03606	2.2
243.01947	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	225.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87628	0.4
55.05516	0.4
56.96559	1.5
65.36954	0.4
69.07086	0.5
70.96021	0.5
70.96340	0.8
71.04980	0.5
81.03388	0.5
81.07026	0.6
82.99856	0.7
84.96024	2.2
85.02902	0.5
91.05420	0.6
95.04935	0.8
98.97577	1.8
99.04452	0.7
100.75546	0.4
101.00869	6.9
105.03370	0.8
107.08605	0.5
109.06496	0.6
109.10170	0.5
116.98643	1.4
118.03520	1.1
119.01908	60.9
119.08572	0.4
120.02038	2.7
121.01654	0.6
121.10126	0.6
122.97839	0.7
123.08002	0.6
123.11652	0.5
133.10088	0.4
134.99821	4.1
137.02942	30.0
138.03038	1.1
138.06775	0.5
140.98865	1.2
141.05019	0.5
142.03493	7.2
145.03426	0.6
153.00923	3.6
154.06259	1.5
158.99860	4.7
159.06078	0.5
160.00014	0.6
160.04546	2.8
161.02969	2.2
164.71994	0.4
165.05124	0.5
165.99570	0.7
169.08588	0.5
173.01273	0.5
173.02751	0.7
175.02985	0.5
176.02571	0.5
177.00935	100.0
178.01036	11.7
178.03535	0.5
178.94273	0.5
179.00658	2.4
179.03983	2.8
182.03122	0.7
182.99722	2.1
183.01314	0.5
183.06255	1.3
184.04541	1.3
185.02950	0.6
193.04045	1.7
195.02058	2.4
198.53102	0.7
199.04443	0.6
200.02557	3.3
201.00810	6.6
201.02461	2.4
202.00958	0.9
202.02690	1.2
202.05579	1.5
203.03925	0.7
206.04422	0.9
207.53795	0.5
217.04054	10.8
218.03775	1.3
219.01973	88.3
219.94612	0.4
220.02077	18.1
221.01694	2.6
225.00633	4.4
225.04193	1.2
225.07506	0.6
225.09418	0.6
226.00882	0.5
227.04201	0.6
237.95439	0.9
242.03531	4.0
243.01884	13.0
244.02145	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0755
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03933	1.1
55.01860	0.9
55.05495	2.0
59.04980	1.8
60.89901	1.0
65.03938	4.1
67.05482	2.4
69.03404	1.6
69.07053	2.7
69.74426	5.3
71.04977	3.5
73.77824	0.8
74.77425	0.9
79.05475	3.0
81.03398	1.2
81.07057	5.0
81.07442	1.0
82.64211	0.9
83.04947	2.1
83.08649	0.9
83.24909	0.9
83.27895	0.9
85.02883	1.3
87.04466	1.2
89.02913	0.8
89.03899	2.7
91.05472	52.8
93.03393	1.1
93.07030	2.7
95.04941	3.8
95.08622	4.1
97.06555	1.6
98.21457	1.5
99.04430	4.5
103.05458	2.5
105.03371	1.9
105.07011	2.7
107.04943	4.0
107.08596	4.2
109.06514	4.3
109.10136	2.8
118.04146	6.5
119.04930	60.1
119.08553	2.6
120.05267	1.0
121.02854	1.7
121.06450	1.3
121.10139	2.6
123.04466	1.4
123.08044	3.0
124.05125	1.3
125.09608	1.3
129.03358	1.3
131.04924	1.2
131.08568	1.3
132.02045	5.6
133.02812	2.1
133.10161	1.2
135.04381	2.1
136.05159	2.9
137.05959	4.7
137.09538	1.6
139.07521	2.9
140.14555	0.8
140.88141	1.0
145.02821	1.5
146.03603	0.9
147.04396	44.7
147.11644	1.3
149.02319	8.6
149.09584	1.2
149.13232	0.9
150.03094	1.0
151.03857	1.2
151.07538	2.2
153.05426	2.1
154.06235	1.0
155.07059	1.3
157.04001	5.0
161.13162	1.3
163.03900	2.4
164.04681	7.5
165.05489	8.2
165.06836	1.4
165.09105	1.6
165.12750	2.4
167.07071	2.6
167.10706	1.6
169.08685	0.9
169.10008	0.9
171.11659	1.2
174.02975	1.0
175.03891	76.8
176.04320	1.7
177.01787	2.6
179.07031	5.8
180.04121	3.3
181.08601	1.3
181.98724	0.9
183.06473	2.1
183.13811	1.7
189.12675	1.9
192.02441	1.8
192.04141	25.0
193.04866	2.1
197.07835	0.9
207.06506	100.0
207.13777	2.7
208.06898	1.7
210.06776	1.2
225.07285	1.6
225.09088	2.8
225.11021	1.2
225.14743	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	225.1119
Annotation	Erigerenone C
Peak:m/z	Relative Intensity
51.34327	0.6
53.03967	1.2
55.01898	2.0
55.05534	1.6
57.03432	0.9
65.03973	2.2
67.05537	2.8
68.99804	1.4
69.03452	0.9
69.07075	0.9
69.98169	3.8
71.05019	1.3
75.04469	6.2
77.03952	1.1
79.05487	10.3
81.03439	0.7
81.07047	4.1
83.04984	0.9
83.08641	1.0
85.02927	2.0
89.03941	0.8
91.05478	16.1
91.05996	1.2
93.03408	1.0
93.07031	3.5
94.04211	0.7
95.04945	5.5
95.08593	3.7
97.02905	0.9
97.06534	1.0
98.21500	0.9
99.04488	2.3
103.05460	9.2
105.03429	2.8
105.07014	20.4
107.04939	9.5
107.08611	2.1
108.05713	1.2
109.02901	3.1
109.06500	5.1
109.10191	1.7
110.03642	1.5
111.04451	1.6
114.96906	0.7
115.03947	1.1
115.05482	3.2
118.03372	1.0
118.04146	6.1
119.04921	10.9
120.05720	2.4
121.02906	1.0
121.06483	5.5
122.07298	3.4
123.04413	17.7
123.08038	7.0
123.11743	1.1
124.05251	0.8
125.06010	2.9
131.04886	1.0
132.05742	1.1
133.06473	20.9
133.07448	1.2
133.10170	0.9
134.07280	2.7
135.04407	11.8
135.08041	8.3
136.05229	2.0
137.02425	1.2
137.05969	11.5
137.09616	1.2
138.06795	1.2
139.03915	2.0
139.07562	2.2
140.04643	0.8
141.05487	5.7
141.06927	0.7
146.03664	1.4
147.04382	14.0
147.05516	1.0
149.02339	3.1
149.04924	0.8
149.05939	3.9
150.05533	1.5
150.06741	26.3
151.03870	1.4
151.07529	19.4
152.04671	1.5
153.05437	4.5
154.06253	2.6
155.07040	1.6
161.05959	6.6
161.07114	1.3
162.06741	21.7
163.03879	16.8
163.06190	0.7
163.07487	4.5
164.04634	1.0
164.08296	0.8
165.01881	1.5
165.05476	8.6
165.09091	61.2
166.09647	1.4
167.07016	13.5
167.10704	2.4
168.07835	0.9
169.04947	23.5
169.08633	1.0
169.10019	1.0
175.03906	8.9
177.05466	1.2
178.06241	12.7
179.07010	55.3
180.04152	3.9
180.07469	1.3
181.04993	4.8
182.05716	6.3
182.09396	2.6
183.06522	1.8
183.11557	0.9
184.07281	20.4
192.04160	2.8
193.04913	2.1
193.08588	44.1
194.09358	100.0
195.06523	9.5
195.10014	3.6
196.07274	1.0
197.08063	8.0
197.11713	13.5
207.06473	11.0
207.13673	1.2
210.08842	20.2
210.95209	0.7
225.09294	1.9
225.11157	43.6
226.11546	1.3
241.40947	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	3-Buten-2-one, 4-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-
Peak:m/z	Relative Intensity
55.05498	1.5
57.07055	2.5
67.05494	4.4
69.03416	1.5
70.61758	1.7
70.62093	1.9
79.05486	3.7
81.07049	21.9
85.02895	100.0
90.68507	1.0
91.05470	8.1
92.38645	1.2
93.07023	2.5
95.04959	2.1
95.08037	1.2
95.08598	6.6
99.04491	1.6
105.07027	3.9
107.08556	5.1
109.06497	1.8
109.10138	9.2
119.04908	5.6
119.08569	2.9
121.10127	9.5
123.08056	2.3
123.11691	70.0
125.05962	6.0
125.09616	1.6
139.11136	1.8
147.04393	7.0
147.08084	2.3
147.11642	4.6
149.09599	6.5
151.07494	1.9
156.09363	1.5
165.09160	1.2
167.10625	2.4
175.03864	8.0
187.64731	1.4
189.12671	4.4
192.04230	3.0
207.06520	9.8
207.13794	15.4
222.93678	1.2
225.14919	5.6
226.69652	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05496	4.4
57.07067	2.6
65.03935	1.8
66.81025	1.2
67.05492	6.1
69.03406	2.7
69.07036	2.5
71.04985	3.3
71.44465	1.8
72.87828	1.2
79.05471	3.8
81.07053	23.0
83.04957	4.2
85.02898	100.0
91.05463	9.5
93.07018	5.3
95.04956	8.0
95.08592	7.8
97.06506	2.4
99.04445	4.4
103.05406	1.3
105.07034	6.3
107.04948	2.4
107.08595	8.4
109.06509	3.6
109.10137	11.8
111.04424	2.1
119.04913	4.1
119.08543	4.0
121.06456	2.1
121.10151	9.2
122.07198	1.2
123.04405	5.5
123.08060	6.2
123.11696	74.8
125.05978	6.6
125.09535	1.7
131.08510	1.8
133.06454	1.4
135.07999	1.3
137.05957	2.1
137.09596	5.5
141.05467	1.8
145.10063	1.5
146.65224	1.1
147.04417	2.7
147.07968	2.4
147.11626	3.8
149.09616	9.2
151.07503	5.1
151.11147	4.8
155.07071	1.8
161.13248	1.8
163.11142	2.7
165.09126	14.1
169.08521	1.6
171.11678	1.8
175.03934	5.9
180.04242	1.4
183.06516	4.9
183.13794	1.4
189.12735	5.2
192.04126	3.5
193.04854	2.0
207.06511	5.3
207.13795	21.6
225.07324	1.9
225.14799	8.8
248.10884	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05496	6.2
57.03416	2.2
57.07052	3.3
59.04989	3.7
64.32379	1.8
67.05487	8.6
69.03416	4.8
69.07056	4.1
69.50783	3.8
69.51184	9.2
71.01339	2.4
71.04979	15.8
75.27344	1.7
79.05466	8.9
81.03398	1.7
81.07060	11.2
83.04462	1.6
83.04971	6.4
83.08611	2.1
83.41120	1.7
85.06523	4.2
91.05460	15.2
93.07029	17.8
95.04959	9.6
95.08601	10.8
97.06538	3.1
98.20717	2.3
99.31939	2.0
105.07020	21.6
107.04936	3.8
107.08578	18.8
109.06503	60.7
109.10137	16.3
111.08047	4.2
117.06991	3.6
119.04874	2.2
119.08556	25.6
121.06464	4.1
121.10120	44.2
121.10931	3.6
123.04418	3.6
123.08045	18.9
123.11685	4.6
125.09664	2.2
131.08537	7.6
133.06487	3.1
133.10117	6.0
135.08035	8.5
135.11682	8.3
137.05966	3.5
137.09589	19.6
137.13217	4.6
139.11205	3.0
141.06931	2.2
143.08498	2.5
145.10132	6.2
147.04419	2.4
147.08018	11.2
147.11655	17.2
149.09599	100.0
150.10146	2.3
151.03925	4.1
151.07509	6.2
151.11192	4.4
153.12733	2.4
156.09312	11.3
159.11703	6.3
161.09610	2.3
161.13251	15.1
163.11177	17.8
165.09190	3.2
165.12756	8.7
169.08572	2.8
171.11697	18.2
174.10336	5.1
175.03880	3.2
177.12807	3.3
179.14285	4.4
183.06496	2.6
189.12700	45.3
197.89070	1.8
207.06595	2.2
207.13779	22.9
213.55054	2.0
225.07401	2.1
225.09273	2.6
225.14798	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	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03933	1.3
55.05499	3.0
67.05494	6.8
69.03401	1.1
69.07060	1.9
69.43085	1.0
69.86829	3.4
69.87247	1.4
71.04988	15.3
79.05489	6.6
81.07037	6.2
83.04967	2.1
83.08634	0.7
84.21873	0.7
85.02863	0.7
89.75375	0.8
91.05465	8.4
93.07030	15.6
95.04961	2.6
95.08595	3.7
97.06532	2.4
99.04441	2.3
103.05465	1.3
105.07025	17.2
107.08584	7.9
109.06510	5.5
109.10154	15.8
111.08086	1.5
117.07008	0.8
119.04961	2.0
119.08572	15.1
121.06497	2.2
121.10136	36.6
122.10509	0.8
123.04332	0.9
123.08067	4.7
123.11634	1.4
125.05965	0.8
131.08560	3.4
133.06435	1.4
133.10101	5.2
135.08049	1.8
135.11697	4.1
137.09601	26.9
143.08549	1.7
145.10085	2.9
147.04445	1.8
147.08052	4.2
147.11679	9.8
149.09604	100.0
150.10069	1.0
151.07498	1.7
156.09326	3.4
158.77898	0.8
159.08086	1.5
159.11804	1.2
160.08830	0.9
161.09613	2.6
161.13228	9.7
163.11162	2.2
165.12759	4.0
168.18230	0.8
171.11729	5.1
174.10422	4.1
186.54295	0.8
189.12726	18.8
192.04149	0.8
193.04858	1.5
207.06474	1.4
207.13754	6.4
210.05241	3.4
225.07568	3.2
225.14932	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0911
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03935	1.3
55.01863	6.4
55.05483	1.2
57.03411	1.0
65.03938	8.2
67.05489	5.1
67.63062	0.6
69.03431	2.5
69.07024	1.0
70.04615	0.6
70.87788	1.2
71.04994	1.8
73.02908	39.3
73.06531	0.7
74.98485	0.6
77.03886	0.7
79.04372	0.6
79.05473	2.8
81.03421	0.9
81.07066	1.2
82.04189	3.7
83.04964	0.8
85.02895	4.7
85.06522	1.0
91.05485	3.5
93.03378	1.4
93.07043	2.5
95.04955	14.6
95.08576	1.5
97.02878	1.5
97.06529	3.4
99.04441	0.8
99.08077	1.7
100.11230	2.8
103.05459	1.4
107.04877	0.7
107.08573	1.5
108.02065	1.5
109.06493	1.4
110.03651	4.5
111.04408	1.1
113.70794	0.7
121.06499	3.7
121.10146	1.3
123.04417	7.3
124.05197	2.8
125.02323	4.2
125.05956	2.3
125.09641	1.4
127.07551	0.8
133.10132	1.5
138.03107	2.4
139.07555	4.4
140.04668	51.9
141.05025	0.9
142.02586	3.1
149.05966	2.3
153.05464	2.4
153.09074	1.5
155.07013	51.4
156.07292	1.1
164.04688	0.9
165.05466	3.5
167.07028	4.1
171.06508	6.9
171.10130	1.5
173.08040	3.3
177.05441	2.6
179.07007	3.1
181.04938	100.0
181.08388	5.1
182.05295	1.4
191.07050	0.9
209.08067	18.1
209.15250	1.1
227.09111	13.9
227.16383	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	227.0911
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.02362	1.0
51.21556	0.9
53.03933	5.3
55.01860	3.5
55.05502	7.4
56.96558	1.8
57.03431	1.8
67.05495	5.4
69.03410	4.8
69.07043	4.7
69.74202	4.4
69.74618	2.0
70.39793	1.0
71.04982	6.4
73.02900	2.3
73.62853	1.1
75.44940	1.0
77.03865	1.1
78.04702	2.6
79.05476	8.9
81.03410	5.9
81.07051	6.9
83.04971	6.8
83.08593	2.5
85.02897	1.7
85.06511	4.9
85.06966	1.0
89.03903	2.1
89.78439	1.1
91.04907	1.1
91.05471	22.8
93.07034	22.7
95.04370	1.9
95.04959	37.7
95.08595	4.3
97.06524	6.3
97.10111	1.7
99.04436	5.7
99.08071	4.4
100.11237	10.0
103.05447	16.5
105.04474	1.6
105.07003	3.2
106.04139	3.6
107.04958	9.3
107.08578	6.9
109.02834	2.3
109.06504	7.1
109.10136	4.8
110.03670	1.3
111.04409	1.9
115.07546	2.0
117.03331	1.1
119.04936	3.1
119.08541	4.4
120.05714	2.1
121.02804	1.8
121.06491	62.5
121.10136	6.2
122.03645	2.3
123.04423	10.3
123.08031	1.9
123.11686	1.3
124.05225	7.1
125.09614	3.0
127.07546	2.2
131.04909	6.8
131.08542	3.2
133.02773	1.9
133.10086	6.1
134.03616	2.7
135.04359	3.2
135.08052	2.4
135.11670	2.1
136.05070	1.3
137.05963	9.5
137.43684	1.1
139.07526	3.7
139.11189	1.9
140.04665	16.9
145.02847	2.1
145.10085	1.9
147.04352	3.7
148.05159	4.9
149.05960	31.7
149.09607	3.0
149.13217	1.7
151.03897	3.5
151.07521	2.1
151.11151	1.3
152.04645	2.3
153.05440	2.0
153.09058	7.0
155.07054	9.0
155.10628	3.8
159.04343	3.3
159.05534	3.2
161.69115	1.0
163.03947	2.2
163.11119	1.8
163.14882	1.6
164.10611	1.3
165.05450	4.7
166.06187	3.8
167.07021	100.0
168.07365	2.0
171.06651	1.1
171.10094	2.7
173.13252	3.5
176.04610	1.5
177.05458	78.7
178.05962	1.8
179.07004	1.8
181.05055	6.5
181.08560	21.1
183.03198	1.0
183.80321	1.2
187.28587	1.0
191.06953	2.1
191.10687	2.9
191.14319	3.1
191.33948	1.1
194.05713	4.0
195.06476	4.7
195.08090	1.6
203.72078	1.0
207.44731	1.4
209.08081	26.4
209.11705	1.7
209.15273	9.8
227.07031	2.4
227.09073	4.7
227.16074	6.1
237.97864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0911
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03938	1.8
53.15965	1.2
55.01867	8.4
55.05500	6.2
57.03422	2.3
59.04996	1.3
65.03931	8.0
67.05492	5.2
69.03414	3.7
69.07053	5.2
71.04967	7.8
71.09980	3.9
73.02502	2.4
73.02906	37.2
76.57027	1.2
78.04694	3.4
79.05484	7.9
79.25032	1.0
81.03401	2.6
81.07056	5.6
82.04194	3.3
83.04984	6.6
83.08585	2.7
85.02898	7.5
85.06514	2.4
86.09727	1.1
91.05466	12.5
92.76316	1.4
93.03381	1.3
93.07042	11.2
94.04172	1.6
95.04961	32.7
95.08601	6.2
97.02876	1.7
97.06502	7.4
97.10163	1.4
99.04433	4.5
99.08097	5.8
100.11246	12.8
101.06028	1.7
103.05421	7.2
105.07010	3.6
106.04147	2.9
107.04927	5.8
107.08562	6.7
109.02867	1.6
109.06516	6.4
109.10139	3.8
110.03648	4.7
111.04433	2.7
115.07556	1.7
117.03371	1.5
119.04894	2.0
119.08551	2.1
121.02846	1.3
121.06491	19.1
121.10111	5.2
122.03662	1.9
123.04414	18.0
123.08057	1.4
124.05199	7.7
125.02346	4.3
125.05977	3.2
125.09622	2.7
127.07572	4.8
131.04906	6.6
131.08559	2.3
133.02794	1.9
133.10127	7.9
134.03600	2.2
135.04468	1.4
135.11684	3.0
137.05963	7.1
139.07504	7.2
139.11168	4.4
140.04660	57.1
142.02628	3.0
145.10106	1.8
147.11653	1.6
148.05219	1.7
149.05966	16.0
149.13255	1.9
151.03864	1.6
152.04703	2.2
153.05414	2.6
153.09122	7.6
153.12846	1.3
155.05753	2.7
155.07022	53.7
155.08379	1.7
159.04463	2.3
163.07506	1.6
163.11250	1.4
164.04730	1.7
165.05515	8.5
165.06662	1.4
166.06277	1.9
167.07018	91.0
171.06554	5.6
171.10135	3.1
173.08067	3.6
173.09540	2.2
173.13242	3.0
177.05455	19.9
179.07036	4.8
181.04933	100.0
181.08345	5.6
191.07053	3.1
191.10645	2.6
191.14352	1.6
195.06685	1.4
209.08058	26.5
209.09906	1.5
209.15305	3.7
227.07059	2.2
227.09042	15.6
227.16245	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	227.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	15.2
58.39115	0.3
58.92799	0.2
65.45572	0.3
70.85983	0.6
72.15936	0.3
81.69373	0.3
82.06583	0.3
83.08611	7.5
85.55144	0.3
91.05459	0.6
93.07034	1.1
95.05003	0.5
98.09709	0.4
100.11241	100.0
101.11586	1.2
103.05435	0.8
110.06059	0.4
117.13880	1.2
121.06486	4.0
123.26218	0.3
127.08679	0.3
127.84050	0.3
138.73582	0.3
139.08643	1.0
140.04681	0.7
149.05954	0.8
159.05571	0.4
166.06367	0.3
167.06995	0.7
177.05458	4.3
181.08559	1.2
208.51028	0.3
209.07993	0.8
209.16464	15.7
227.17499	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	227.0911
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03928	1.6
55.01867	6.9
65.03936	8.0
67.05505	3.0
68.99772	0.6
69.03413	1.0
70.57921	1.8
71.04950	0.7
73.02910	37.8
79.05479	1.7
81.03427	0.7
82.04184	2.5
85.02901	4.1
89.03788	0.5
91.05464	1.4
93.03385	1.3
95.04964	5.1
95.40722	0.5
97.02878	0.9
97.06516	2.1
99.08038	0.6
103.05463	1.0
107.04947	1.2
107.08584	0.7
108.02058	1.1
110.03663	4.4
111.04425	1.2
111.07991	0.6
121.06489	1.8
123.04415	9.0
125.02322	2.7
125.05943	2.1
127.07583	0.6
138.03116	2.6
140.04668	48.4
141.04984	0.9
142.02606	2.6
149.05946	0.8
153.05435	2.4
155.07014	60.8
156.07368	0.9
166.06285	0.6
167.07030	2.2
171.06497	4.6
173.08109	4.5
177.05554	0.7
179.07022	2.9
181.04936	100.0
181.08313	4.1
182.05316	2.0
209.08073	20.2
210.08406	0.6
227.09097	15.0
227.16435	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.01865	4.8
55.05501	11.8
56.96538	3.2
57.03423	4.6
57.07059	5.6
57.15868	1.4
57.60542	1.4
59.04993	5.4
65.03934	6.6
67.05492	13.7
67.49643	1.7
67.62440	1.3
69.03434	7.9
69.07063	15.9
70.06586	1.5
71.04987	21.5
71.10216	2.5
73.02906	16.7
73.06551	2.1
78.04696	2.3
79.05480	10.9
80.05030	1.2
81.03413	3.9
81.07049	16.5
83.04958	8.9
83.08598	7.0
85.02904	4.4
85.06540	8.4
86.09705	2.2
89.03865	1.8
91.05475	20.4
93.03371	2.5
93.07028	30.9
95.04956	100.0
95.08595	13.3
97.02902	3.4
97.06523	18.7
97.10163	6.2
99.04435	11.2
99.08088	18.0
100.11275	2.5
101.05985	1.5
103.05449	12.9
105.04511	2.1
105.07027	6.6
106.04156	2.8
107.04951	6.5
107.08575	18.6
109.02871	4.1
109.06507	14.9
109.10168	10.3
110.03651	2.6
110.06018	1.4
111.04451	4.2
111.08059	6.8
113.05954	2.9
113.09679	1.6
115.07564	4.5
116.98583	1.8
117.06949	1.7
119.04926	3.1
119.08545	7.3
121.06502	33.8
121.10132	18.0
123.04428	11.7
123.08043	5.1
123.11710	6.2
124.05235	2.9
124.07610	1.4
125.02346	2.8
125.05990	3.1
125.09618	8.0
127.03902	2.8
127.07567	7.8
128.06259	1.7
131.04930	4.9
131.08569	4.2
133.02847	1.6
133.10124	27.8
134.03618	3.3
135.04370	4.1
135.08046	5.6
135.11699	4.4
137.05943	7.7
137.09602	2.9
139.03835	1.8
139.07527	2.0
139.11168	10.1
140.04655	32.0
141.06956	2.6
142.02623	1.7
143.08534	1.9
143.10695	7.3
145.02843	1.7
145.10095	4.7
147.04402	1.5
147.11687	5.6
148.05118	3.1
148.27605	1.6
149.05956	17.9
149.09631	1.7
149.13225	6.7
151.03877	1.8
151.11148	5.5
152.04689	2.5
152.07063	1.9
152.69476	1.4
153.05492	3.8
153.07033	1.5
153.09091	24.7
154.06343	1.9
155.07033	26.7
158.10930	1.9
159.04408	1.7
163.03928	2.8
163.07538	3.8
163.11153	2.1
163.14810	4.9
166.06236	2.1
167.07014	74.9
168.07352	3.2
168.09280	1.5
169.04942	1.3
169.06427	2.4
171.06473	4.4
171.07915	1.6
171.10143	17.8
173.08116	2.1
173.09590	2.1
173.13235	10.7
177.05453	43.4
178.06099	2.4
179.07036	1.7
181.04938	46.2
181.08521	9.8
181.09981	2.5
191.07008	2.3
191.10649	2.9
191.14267	7.1
192.10207	1.5
199.07460	2.0
209.08058	20.3
209.09888	2.5
209.15303	15.5
227.07014	4.2
227.09137	9.1
227.14262	2.4
227.16380	42.6
228.23235	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	227.1638
Annotation	MKN-003C
Peak:m/z	Relative Intensity
51.49752	1.1
55.01850	2.5
55.05497	9.8
57.03435	5.9
57.07045	4.0
59.05001	5.9
65.03925	2.0
67.05501	7.5
69.03413	6.3
69.07056	13.4
69.54091	9.4
71.04990	24.9
73.02887	3.8
73.06533	3.2
75.04457	1.7
79.05480	6.8
81.03400	1.7
81.06667	1.2
81.07051	14.2
83.04955	5.0
83.08602	6.6
85.02886	1.5
85.06532	8.9
91.05486	5.9
93.07032	19.9
95.04958	100.0
95.08588	13.4
96.05283	1.5
97.06512	14.9
97.10146	4.5
99.03954	1.3
99.04453	14.0
99.08082	29.8
103.05451	2.3
105.07032	9.5
107.04914	2.4
107.08579	19.5
109.06499	20.2
109.10140	12.4
111.08072	8.0
113.05986	1.7
113.09608	1.5
115.07539	7.6
119.08572	8.7
121.06478	7.9
121.10123	18.9
123.04384	3.3
123.08036	3.7
123.11717	5.6
125.05955	1.5
125.09611	14.0
127.07557	11.8
131.04889	1.4
131.08542	3.5
133.10112	30.0
135.08040	4.6
135.11647	6.8
137.05942	2.2
137.09589	3.7
139.11156	11.9
140.04654	6.5
143.08545	1.7
143.10641	8.0
145.02721	1.1
145.10109	2.5
147.11700	6.3
149.02357	2.4
149.05927	3.3
149.13240	9.9
151.11172	4.0
153.05475	1.3
153.07909	2.1
153.09093	31.6
155.07024	7.8
163.14806	5.5
165.12794	1.6
167.07002	21.9
167.14319	1.6
171.10155	20.7
171.11542	0.9
173.13225	12.4
177.05452	10.0
181.04971	10.6
181.08461	2.6
189.86240	1.1
191.10695	1.4
191.14270	9.8
209.08028	5.4
209.15350	19.2
227.07123	2.0
227.09097	2.8
227.16386	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
51.87952	1.0
53.03927	4.0
55.01848	3.3
55.05508	10.3
56.52716	1.1
57.03430	6.9
57.07044	5.2
59.04977	5.5
61.02884	1.3
65.03923	1.7
65.12446	1.1
67.05486	8.0
69.03401	6.3
69.07057	16.4
70.00048	4.8
70.00457	2.1
71.04987	24.7
73.02914	5.9
73.06538	2.8
75.04449	1.5
78.04710	1.5
79.05492	8.2
81.03373	1.9
81.07037	13.1
83.04969	6.3
83.08600	6.2
83.56599	1.0
85.02884	1.4
85.06535	8.6
91.05478	11.7
93.07033	25.5
95.04956	100.0
95.08594	12.4
96.05306	1.7
97.02876	2.0
97.06516	16.8
97.10155	5.1
99.04437	12.1
99.07482	2.3
99.08080	29.2
100.11264	2.4
101.06007	1.8
103.05444	5.5
105.07026	10.7
107.04916	4.4
107.08581	19.4
109.06503	17.5
109.10131	10.6
111.04408	2.8
111.08089	9.2
113.05998	2.9
113.09645	2.1
114.48135	1.1
115.07561	6.5
119.04887	1.8
119.08562	7.4
121.02843	2.2
121.06515	12.5
121.10128	17.9
123.04404	4.7
123.08049	3.3
123.11719	7.0
123.12453	1.3
124.05182	1.9
125.05937	2.3
125.09616	9.9
127.03896	2.5
127.07543	10.8
128.06154	1.3
131.04886	3.2
131.08539	4.9
133.10112	29.5
135.04402	2.8
135.08029	6.7
135.11688	6.9
137.05948	5.4
137.09576	2.6
139.11162	10.2
140.04680	8.8
143.10641	8.1
145.10065	2.5
147.11699	6.3
148.05087	1.9
149.02327	9.0
149.05957	9.8
149.09616	3.0
149.13239	8.7
151.11140	3.9
152.04567	1.6
153.05400	3.0
153.07910	2.0
153.09082	27.1
155.07002	10.4
155.08270	2.0
159.04344	1.2
161.02945	2.3
163.03868	3.1
163.14766	4.8
167.07025	44.9
167.14243	1.3
171.07918	1.8
171.10164	16.7
173.13257	12.3
177.05447	20.7
181.04965	15.9
181.08530	4.9
191.14285	11.6
194.02226	1.3
195.06514	1.5
209.04466	4.4
209.08041	9.0
209.15341	14.8
227.07127	2.5
227.09090	3.0
227.14140	2.5
227.16380	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	227.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03153	1.2
53.03926	2.8
55.01836	4.5
55.05503	13.7
56.96538	1.6
57.03411	3.3
57.07042	4.0
57.39047	1.1
59.04981	5.4
65.03902	4.4
67.05504	7.9
69.03434	5.5
69.07059	12.5
69.71101	3.4
69.71531	4.1
71.04993	21.9
73.02917	15.4
73.06535	2.0
78.04678	4.1
79.05056	1.2
79.05484	10.4
81.03380	3.6
81.07046	12.9
83.04979	6.6
83.08617	7.2
84.96006	1.5
85.02872	2.7
85.06526	7.7
89.03866	2.0
91.05484	14.8
93.03384	2.1
93.07037	20.5
95.04963	84.1
95.08600	13.2
96.05254	1.3
97.02860	1.4
97.05910	1.3
97.06519	15.6
97.10133	5.7
98.20774	2.2
99.04453	12.7
99.08092	25.5
100.11253	31.6
103.05445	8.6
105.07043	8.5
106.04092	2.4
107.04885	5.0
107.08596	17.8
109.02816	1.7
109.06514	15.0
109.10156	9.0
110.03648	2.7
111.04409	2.7
111.08073	7.0
113.05959	2.8
113.09637	2.5
115.05386	1.9
115.07565	5.5
116.98558	1.6
117.03413	1.4
119.04862	2.4
119.08499	5.3
120.05660	1.3
120.39206	1.1
121.06497	17.7
121.09322	1.7
121.10130	19.0
122.03577	1.3
123.04420	11.6
123.07997	3.4
123.11703	6.0
124.05186	2.4
125.05949	3.2
125.09638	9.0
127.07541	10.9
128.98528	1.7
131.04929	6.8
131.08501	3.7
131.66260	1.2
132.05162	1.2
133.10120	20.9
134.03627	1.1
135.04381	1.7
135.07968	4.1
135.11664	7.3
137.05966	9.9
137.09541	2.8
138.03049	1.2
139.07431	1.9
139.11191	9.7
140.04665	19.4
143.08498	1.9
143.10658	5.6
145.10051	2.7
146.99605	2.1
147.04344	1.7
147.11674	5.5
148.05110	4.7
149.05984	16.9
149.09581	1.6
149.13242	6.3
151.03822	3.3
151.07489	1.6
151.11111	4.2
152.04573	2.3
153.05438	2.2
153.07968	1.6
153.09088	22.9
153.53369	1.2
155.07019	21.8
155.08269	2.4
159.04314	3.7
161.01019	1.2
161.05888	1.6
163.03822	4.1
163.07489	1.5
163.11171	2.3
163.14728	4.9
165.05368	3.1
165.12657	1.8
166.06125	2.1
167.07024	100.0
168.07335	3.0
171.06456	2.1
171.10149	14.2
173.09561	3.0
173.13234	10.9
176.04630	1.3
177.05461	27.1
178.06133	1.6
181.03413	1.8
181.04945	33.1
181.06479	3.1
181.08495	5.4
181.10080	1.6
182.05237	1.7
191.06908	2.7
191.10611	3.4
191.14258	9.5
194.05728	2.7
195.06453	3.6
199.07428	2.3
199.09367	1.3
209.06371	1.4
209.08107	20.8
209.15057	10.4
227.06877	4.8
227.09038	9.6
227.16310	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97734	0.9
53.03924	2.6
55.01852	2.8
55.05508	10.0
56.75840	1.1
57.03438	6.4
57.03671	1.1
57.07059	4.4
59.04983	4.3
65.03922	1.8
67.05500	11.5
69.03408	6.2
69.07062	8.6
69.67701	1.9
69.68118	4.9
71.04607	1.1
71.04984	18.7
73.02888	3.5
73.06535	2.9
78.04682	1.2
79.05482	12.7
81.03403	2.6
81.07050	15.9
83.04968	6.2
83.08595	5.2
85.02875	1.1
85.06525	8.1
91.05467	15.9
93.06487	1.6
93.07037	22.9
95.04958	100.0
95.08601	13.0
97.06519	17.9
97.10122	4.4
98.21502	1.3
99.03954	1.2
99.04453	14.8
99.08084	26.3
100.11241	7.9
101.05965	1.1
103.05460	7.6
105.06998	8.0
106.04142	1.3
107.04961	9.4
107.08581	16.6
109.06514	16.6
109.10139	7.8
111.04439	1.4
111.08042	4.2
113.05963	1.6
115.07532	4.5
117.06970	2.8
119.04924	1.7
119.08557	7.9
121.05666	1.7
121.06491	23.8
121.10137	22.5
122.03738	1.0
123.04402	8.2
123.08009	1.5
123.11698	5.5
124.05183	1.7
125.05984	2.6
125.09624	10.5
127.07546	7.6
129.06996	2.4
131.04906	2.6
131.08563	7.3
133.10120	24.4
134.03603	1.9
135.04387	1.1
135.08008	3.2
135.11656	4.8
137.05925	4.2
139.07486	2.1
139.11160	10.0
140.04672	6.6
143.10651	8.0
145.10133	8.9
147.04419	1.2
147.11696	6.8
149.05954	14.1
149.09605	3.7
149.13261	5.7
151.11137	1.7
153.07925	1.6
153.09088	24.2
155.06995	4.1
155.08504	8.5
155.10600	6.0
158.10902	1.3
159.04378	2.2
163.11096	3.2
163.14845	5.1
165.05490	1.0
165.12766	1.9
167.07022	83.7
168.07349	2.7
171.10179	15.7
173.09587	10.9
173.13234	10.4
177.05444	28.3
181.04890	4.2
181.08528	6.7
181.12196	1.9
191.10640	15.2
191.14265	7.1
195.06448	2.3
209.08060	9.5
209.11594	1.9
209.15262	16.9
227.06934	1.2
227.09003	1.9
227.12701	2.3
227.16356	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	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03928	4.6
55.01854	9.1
55.05511	37.1
55.11733	2.1
57.03417	9.1
57.07050	8.7
59.04982	10.3
59.69366	2.3
61.02918	3.2
67.05502	23.1
69.03435	16.7
69.06737	2.6
69.07070	32.2
69.82819	14.4
71.04989	50.5
71.08637	2.5
73.06545	2.6
73.93751	2.5
79.05492	24.1
81.03410	5.6
81.06604	3.2
81.07053	63.1
82.06551	5.0
83.04971	14.6
83.08614	27.8
85.06536	24.9
87.04462	21.3
91.05481	18.7
93.07043	56.9
95.04968	100.0
95.08604	46.1
97.02850	3.8
97.06527	25.4
97.10146	6.0
99.04454	71.5
99.08080	25.1
100.09415	2.9
100.11246	44.6
103.05413	4.0
105.07020	28.3
107.04902	4.0
107.08581	59.4
109.06521	21.0
109.10160	29.8
110.06000	3.1
111.04426	5.4
111.08083	13.4
113.05945	7.9
113.09618	3.4
115.07519	7.0
117.06995	4.5
119.08589	17.0
121.06434	11.1
121.09358	2.7
121.10130	35.9
123.04354	4.9
123.08036	10.7
123.10850	3.7
123.11695	54.1
125.05898	3.7
125.09622	17.6
127.07505	8.3
131.08586	14.8
133.10120	48.8
135.07997	10.5
135.11673	22.0
137.09567	8.0
137.13193	5.3
139.07452	5.5
139.11163	14.4
140.04646	4.3
141.09085	4.5
141.11421	7.7
141.12654	4.4
141.61572	2.8
143.08487	3.5
143.10606	4.6
145.10107	5.8
147.11678	15.4
149.05974	6.4
149.09645	2.7
149.13264	29.0
151.11209	13.5
152.06166	2.7
153.06938	2.5
153.09097	23.3
153.12679	7.7
153.13826	2.8
154.12256	3.1
155.06972	3.8
161.13197	7.1
163.14804	14.0
163.64343	3.5
165.12679	6.9
167.06976	21.9
167.08444	5.3
167.10580	4.4
167.14247	3.7
169.08537	2.9
169.12247	5.8
171.07915	3.8
171.10185	18.4
173.13263	29.4
177.05400	9.4
179.14340	2.7
181.04881	8.8
181.06361	2.5
181.08437	2.7
182.15288	8.8
183.13739	10.7
191.14299	25.3
195.08118	2.7
197.15314	2.6
199.18016	5.2
209.07895	5.2
209.15279	32.8
213.17744	4.6
213.67918	3.7
227.06944	7.4
227.10457	10.4
227.14154	6.6
227.16330	82.8
227.19751	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	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03930	1.4
55.01843	1.7
55.05514	8.0
55.05730	1.4
57.03424	5.8
57.07059	5.0
59.04977	5.9
61.26847	1.5
62.31620	1.6
67.05504	8.6
69.03432	8.8
69.07068	11.4
71.04990	34.1
71.48360	2.7
73.02912	3.0
73.06525	3.0
75.04456	2.3
79.05463	6.4
81.03428	2.3
81.06645	1.7
81.07054	18.0
83.04966	4.9
83.08585	5.4
85.06535	14.1
86.70600	1.5
91.05450	6.7
93.07031	21.6
95.04962	100.0
95.08600	20.3
97.06539	18.2
97.10139	9.0
99.03854	1.9
99.04450	30.0
99.08088	35.3
105.07012	13.0
107.08588	22.9
109.06516	15.2
109.10160	13.5
111.08067	6.1
113.06004	1.7
113.09618	2.8
115.07555	8.7
119.08566	11.0
121.06488	2.0
121.10148	24.8
123.04382	2.4
123.08033	3.8
123.11695	11.1
125.09620	16.3
127.07542	17.8
127.75317	1.6
131.08501	4.8
133.10118	31.9
135.08026	6.8
135.11649	7.4
137.09584	3.8
139.11171	13.6
140.04709	2.4
143.10663	10.7
145.10040	3.7
147.11671	6.7
149.05966	1.6
149.09604	2.4
149.13235	9.8
151.11140	5.6
153.09100	33.1
155.07021	3.7
158.10889	2.2
163.14809	4.5
167.07014	12.5
169.12218	1.5
171.10159	23.7
173.13264	14.2
177.05478	3.7
181.04977	3.5
183.13786	3.1
191.10542	1.8
191.14291	11.1
209.08138	1.8
209.15344	16.8
227.07043	3.1
227.16385	64.5
228.16748	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	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03924	3.5
54.97330	1.9
55.01859	5.5
55.05506	21.4
57.03428	6.6
57.07063	7.4
59.04986	6.6
61.82648	2.0
65.03913	2.5
67.05500	15.1
69.03428	19.3
69.07060	19.6
70.28938	5.4
71.04987	25.1
71.71130	1.8
73.02923	11.3
73.06526	1.8
79.05487	16.5
79.67072	1.9
80.23601	1.8
81.07045	37.6
83.04977	17.1
83.08620	11.5
85.06539	12.5
87.04482	4.6
91.05463	13.1
93.07047	30.7
95.04961	100.0
95.08600	26.7
97.06531	16.5
97.10162	7.8
99.04475	12.7
99.08083	29.1
100.11274	17.8
103.05465	4.1
105.06998	14.6
107.04922	2.0
107.08583	37.9
109.06515	26.0
109.10146	17.6
111.04430	2.8
111.08070	10.3
113.06026	4.8
115.07536	7.2
117.07011	2.4
119.04896	3.2
119.08560	9.0
121.06494	11.7
121.10130	31.3
123.04442	4.6
123.08069	10.4
123.11701	27.2
125.06019	3.5
125.09622	30.3
126.50729	2.2
127.07539	23.9
129.05504	2.0
131.08548	5.0
133.10117	25.8
135.08075	5.4
135.11678	12.4
137.09627	4.8
137.13266	2.2
139.11156	13.4
140.04666	17.2
141.06966	3.3
143.10658	9.1
145.10149	4.1
147.11681	7.2
149.05959	7.0
149.09573	4.2
149.13263	11.2
151.11176	6.5
153.09099	26.8
155.07027	19.5
161.13222	5.0
163.14832	5.1
165.12746	36.4
166.06149	1.9
167.07040	19.4
167.10728	1.8
167.14334	2.3
169.06482	2.4
171.10178	17.0
173.13232	12.7
177.05406	10.9
179.14339	3.9
181.04944	29.8
181.08530	5.5
183.13792	45.4
185.09604	2.1
191.14304	12.1
199.07428	2.6
209.08115	12.5
209.15317	24.1
227.06946	7.0
227.09076	4.8
227.16356	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
65.46145	0.6
67.05494	1.2
70.06563	0.6
70.50843	0.6
70.83150	1.9
78.04699	2.5
79.05476	1.9
81.03412	0.7
81.07058	0.7
83.04897	0.7
85.02860	0.8
91.05473	5.6
93.07024	2.2
95.04958	2.2
97.02275	0.6
97.02885	1.4
99.00841	0.6
103.05399	1.3
105.03385	0.7
105.07011	1.9
106.04148	2.1
107.04933	1.5
109.02882	1.0
117.07007	0.8
121.06493	2.1
123.04404	7.9
124.05201	3.1
128.06227	1.8
131.08527	1.3
133.06447	1.3
134.03630	0.8
137.05972	2.0
140.04616	1.4
141.06961	1.4
142.07715	0.9
143.08566	2.4
145.06471	1.2
145.10133	1.1
149.05969	2.4
151.03844	2.0
152.04755	1.5
155.07126	0.7
155.08508	3.3
157.10133	1.2
159.08081	1.7
161.06001	1.1
167.07024	100.0
168.07396	1.8
168.09270	3.5
169.05003	0.6
169.06421	0.8
172.08798	0.7
173.05968	0.8
179.03415	0.6
181.08624	2.0
183.11670	6.6
187.11182	1.7
193.08632	1.7
196.08904	0.8
201.12694	2.1
211.11279	1.1
229.04892	1.9
229.08698	1.4
229.12204	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	229.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94694	0.8
55.05506	10.1
57.03428	17.7
57.07067	1.5
59.05004	5.1
65.03935	1.6
67.05499	100.0
68.05831	1.4
69.03393	0.7
69.07057	2.4
69.84355	4.8
71.04984	3.8
79.05481	1.9
81.07047	12.3
83.08612	6.0
85.06544	2.3
90.68811	0.8
91.05475	6.9
91.55165	0.8
93.07006	4.9
95.04962	1.1
95.08597	5.5
105.07020	2.6
107.08584	2.5
109.10145	83.6
110.10469	1.6
111.08073	4.9
117.07000	1.4
117.28069	0.7
119.08566	5.9
121.10169	1.0
128.06186	1.2
129.07028	1.1
131.08521	2.2
132.84943	0.8
133.10092	1.1
137.09584	4.8
141.06976	2.4
143.08545	4.1
144.09328	0.9
145.04185	0.8
145.10100	1.5
153.07025	1.9
155.08530	2.8
155.10649	4.5
157.10089	1.3
159.07991	1.0
168.09337	2.5
169.10057	1.2
171.08035	1.3
173.11719	24.2
173.13126	1.2
183.11667	8.3
185.09644	0.8
187.07599	1.1
187.11232	1.8
201.12823	2.3
214.09853	1.4
229.08575	2.4
229.12201	10.4
229.14374	21.2
229.19507	2.4
229.23674	1.0
247.13181	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52977	0.9
55.05505	8.7
57.03434	20.0
57.07085	1.4
59.04988	4.6
62.29713	1.0
65.03936	1.5
67.05501	100.0
69.03423	1.3
69.07053	1.7
71.04977	3.6
71.53047	1.5
79.05487	2.1
81.07051	12.8
83.08607	6.7
85.06519	3.0
91.05470	7.6
93.07042	3.1
94.82687	1.0
95.04957	1.2
95.08601	6.1
105.07014	1.7
107.08582	3.4
109.10149	80.9
110.10468	1.3
111.08104	2.2
113.48067	1.0
116.51476	1.2
119.08592	5.5
128.06195	3.2
129.06975	2.2
130.07747	1.3
131.08572	2.7
137.09601	3.7
139.37938	1.0
141.06958	2.0
142.07730	1.8
143.08534	4.6
145.10179	1.4
153.06898	2.3
155.08542	3.5
155.10660	4.6
156.23228	1.0
158.07233	3.0
159.11650	2.2
168.09319	3.1
170.07080	1.1
171.08052	1.5
173.09616	2.6
173.11739	24.5
173.13150	1.3
183.11653	7.4
186.06721	1.5
193.10191	1.2
198.10359	1.2
199.07549	1.1
201.09087	4.7
201.12630	1.5
214.09888	1.8
223.19893	1.1
229.08574	2.7
229.12189	11.8
229.14354	20.9
229.16171	1.1
229.19466	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
55.05497	0.4
56.96559	0.9
57.03422	1.4
58.06591	7.1
59.07377	1.8
60.08157	7.1
61.02927	1.3
66.41468	0.3
68.05022	1.2
69.03422	0.9
69.78130	0.6
69.78535	1.4
70.06585	39.7
70.99847	0.7
71.04964	0.3
71.06918	0.3
72.07809	0.3
72.08178	0.9
73.02908	1.0
73.75702	0.3
75.02626	0.3
81.03418	0.7
81.04507	0.5
82.99831	0.4
85.02901	1.9
95.06078	0.9
96.08132	1.5
97.02884	0.9
98.06046	1.0
98.97572	1.7
101.00874	8.3
101.01432	0.3
102.00960	0.4
109.02856	0.4
110.01332	0.3
110.97547	0.5
114.05508	5.1
114.09171	2.4
115.02485	0.3
116.06268	0.3
116.07080	1.2
116.98615	0.8
119.01905	23.4
120.01991	2.1
124.07571	3.3
126.09106	0.7
126.98771	0.4
128.02309	0.8
128.98627	0.7
131.01924	1.4
133.01677	0.4
133.03458	2.0
134.99609	0.4
137.02939	5.5
142.03540	0.6
142.08618	36.0
143.01877	0.7
143.09019	0.4
144.99808	2.7
145.03450	0.4
145.04948	0.4
145.99950	0.3
146.99657	0.4
147.55884	0.3
148.03813	0.7
151.04523	0.5
157.03490	0.5
158.99678	0.4
161.02914	1.1
163.02715	0.3
168.99849	2.2
170.08092	2.0
172.99330	0.5
175.04486	0.5
183.11330	0.4
187.00876	5.5
188.00909	0.4
190.98672	0.3
191.00333	0.5
191.03981	0.6
196.99303	0.8
197.01031	0.6
205.01949	1.1
207.01883	0.3
215.00330	4.8
215.02194	0.4
229.15446	100.0
230.15805	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	229.1547
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01870	0.7
55.05486	0.3
56.96561	4.5
57.03432	0.8
57.07053	0.3
58.06593	7.1
59.07372	1.5
60.08159	7.5
60.08467	0.4
61.02918	0.7
68.05024	1.2
69.03400	0.4
69.90451	1.7
70.06585	42.3
70.99860	0.5
71.06934	0.3
72.08185	0.7
73.02908	0.6
77.00871	0.3
79.05481	0.3
80.74326	0.3
82.99824	0.4
84.04489	0.3
85.02884	0.9
86.09691	0.4
96.08130	2.2
97.02885	0.6
98.06039	0.7
98.97583	4.7
99.04465	0.3
101.00867	4.9
110.97603	0.3
114.05521	4.5
114.09161	2.1
115.02415	0.4
116.00201	0.3
116.07072	1.0
116.98611	4.1
119.01911	18.8
120.02033	0.9
124.07574	3.9
126.09133	0.9
126.98761	0.3
128.98584	0.5
131.01888	1.0
133.03467	1.1
134.99606	1.8
137.02930	4.4
142.03461	0.9
142.08620	37.4
143.01863	0.5
143.08737	0.5
144.99817	2.1
145.03479	0.6
146.99632	0.3
147.01286	0.4
151.04520	0.4
158.99696	0.4
161.02982	0.9
168.99788	1.6
170.08115	1.7
172.99335	0.4
173.03008	0.5
175.04605	0.8
177.00792	0.4
177.02292	0.5
183.11671	0.7
186.99283	0.5
187.00882	4.3
187.04564	0.7
197.01056	0.7
205.01889	0.9
205.03653	0.4
205.05659	0.5
207.05203	0.3
215.00330	3.2
220.04219	0.4
224.08101	0.6
229.15450	100.0
230.15797	1.8
233.05051	0.3
248.07968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1012
Annotation	Hibiscoquinone C
Peak:m/z	Relative Intensity
59.04993	1.1
63.60856	0.5
65.06027	0.6
67.05503	1.3
71.52883	1.5
79.05481	1.5
81.07028	1.9
83.04985	0.7
91.05451	3.6
93.07035	1.5
95.08592	0.7
96.59016	0.6
103.05415	0.7
105.07021	5.7
115.05489	1.8
117.06982	2.9
119.04939	0.7
119.08551	2.2
121.06489	4.4
128.06190	11.9
129.07004	3.4
130.07745	1.7
131.04909	0.7
131.08543	2.0
133.06465	2.3
133.10114	1.3
135.08043	1.1
136.42398	0.7
137.05936	0.9
138.06732	1.0
141.06929	1.5
142.07759	2.9
143.08549	23.3
145.06477	5.7
145.10107	6.0
146.07222	2.9
147.04416	1.2
147.08025	2.6
147.11618	1.0
149.05923	1.5
151.07489	3.3
155.08565	1.7
156.09367	1.2
157.06485	1.6
157.10094	2.3
158.07243	3.0
159.08023	2.3
160.08820	6.1
161.05969	3.1
161.09596	2.8
170.07207	1.3
171.08008	8.4
171.11656	1.4
172.08786	6.0
173.05923	4.2
173.09590	7.9
173.13225	1.1
174.06749	2.2
175.03937	1.6
175.07549	5.4
175.11157	14.2
184.08897	0.7
185.09581	9.0
185.13133	0.9
186.10399	0.9
187.07498	2.1
187.11163	1.3
188.08307	17.7
189.09096	4.4
199.07542	0.8
199.11179	0.9
200.11934	10.8
201.09068	15.8
202.09854	1.5
203.10645	100.0
204.10945	2.2
213.09059	1.8
213.12607	1.0
216.08215	1.0
216.11418	32.7
231.10132	49.3
231.13762	53.1
231.17352	1.4
232.14041	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.6
55.01867	40.8
55.05498	33.6
57.03434	8.2
57.07054	6.2
61.02925	40.1
63.23697	4.0
64.54237	4.0
67.05494	40.0
68.99776	26.7
69.03421	47.9
69.07064	47.5
71.01353	57.9
71.04980	9.6
71.08603	9.6
71.52225	7.2
71.52606	4.6
73.02890	4.6
73.06542	11.8
74.67921	3.4
79.05491	38.9
81.03420	23.9
81.07051	88.7
83.01328	9.4
83.04962	17.9
83.08617	10.4
85.02893	18.4
85.06522	18.7
91.03923	8.3
91.05464	43.8
93.07026	66.0
95.01284	7.1
95.04967	29.2
95.08596	76.4
97.02882	81.6
97.06524	50.2
97.10139	6.2
97.66953	3.8
99.04446	5.6
99.08077	100.0
103.05509	5.6
105.03391	4.8
105.07010	59.8
107.04947	16.2
107.08581	52.4
109.02863	9.8
109.06519	34.9
109.10130	20.1
111.04410	14.1
111.08067	18.2
113.05988	68.2
113.09634	15.3
115.03968	3.9
115.05456	11.6
115.07571	25.3
117.06985	24.1
119.08559	54.6
121.06530	24.4
121.10111	29.6
123.04467	10.2
123.08076	28.1
123.11689	6.3
125.02294	9.1
125.05955	5.6
125.09624	21.6
127.03939	9.1
128.06195	15.8
129.06996	21.4
131.08557	25.8
132.05713	4.3
133.06453	9.2
133.10112	46.8
135.08040	32.6
135.11714	9.9
137.05956	5.3
137.09583	8.3
139.07533	32.8
139.11192	4.9
141.06950	5.0
141.09077	62.9
142.07773	16.8
143.03349	10.2
143.08551	33.5
145.06456	15.0
145.10112	30.8
147.08035	25.7
147.11674	23.3
149.05949	15.8
149.09596	21.5
151.07541	12.7
153.09105	14.2
156.09312	10.5
157.06474	6.7
157.10097	32.5
159.07985	9.2
159.11702	17.6
160.05156	5.4
161.05927	10.3
161.09563	20.1
161.13242	10.5
165.09087	23.3
167.10667	13.9
170.07259	8.6
170.10846	8.9
171.08023	13.5
171.10149	81.3
171.11670	25.6
173.09602	6.1
173.13231	11.4
175.07527	24.7
175.11157	9.6
175.14822	8.2
177.09024	22.1
183.07910	4.5
183.10133	11.0
185.09555	5.6
185.13222	28.2
187.11169	6.1
187.14803	9.0
189.05492	8.0
189.08977	8.3
189.12729	17.5
195.10172	53.0
195.11765	5.5
198.10423	6.0
203.07007	6.5
203.10693	7.6
203.14349	21.1
203.17836	5.1
213.10999	42.8
213.13116	20.0
213.16301	20.4
231.06497	43.2
231.10181	28.1
231.13858	91.3
231.17374	61.6
231.20934	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1378
Annotation	Volvatellin
Peak:m/z	Relative Intensity
53.43921	0.9
55.01870	1.7
55.05496	3.7
59.67281	0.9
60.42142	0.8
67.05499	2.8
69.03426	50.3
69.07059	2.0
69.48713	7.4
79.05495	9.4
81.03446	1.2
81.07059	5.0
83.04978	2.3
87.04469	5.4
91.05486	8.5
93.07063	6.8
95.04961	2.4
95.08592	2.4
97.06539	1.3
103.05485	1.3
105.07033	13.1
107.04948	5.2
107.08563	2.7
109.06487	1.2
111.04442	2.1
115.05436	4.9
117.07009	4.5
119.08588	15.7
121.06466	3.1
121.10130	2.9
125.05991	1.5
128.06207	8.4
129.07002	8.2
130.07767	2.7
131.08546	6.1
133.06519	1.9
133.09113	1.7
133.10127	35.5
135.08038	1.3
137.05925	1.8
141.06984	4.3
142.07773	8.8
143.04890	1.8
143.08557	16.5
144.09299	1.5
145.06503	2.8
145.10112	13.7
147.08046	3.6
147.11670	1.4
149.05936	1.1
152.06224	1.1
153.06996	3.9
155.08537	11.1
156.09317	12.2
157.06520	3.6
157.10133	18.1
158.07230	1.0
159.08076	2.7
159.11760	2.2
160.05263	1.2
161.09651	1.5
165.06993	16.2
167.08592	4.2
169.10175	3.1
170.07208	1.5
170.10901	20.1
171.08032	11.9
171.11647	16.2
172.08913	4.6
175.07565	2.5
179.08553	2.7
180.09344	23.4
183.08052	9.5
184.08858	1.5
185.09677	5.8
185.13251	24.0
187.14845	1.8
189.09138	1.5
189.12671	1.5
195.11690	43.2
196.12065	1.2
197.09660	1.7
198.10402	22.5
212.19778	1.1
213.12732	100.0
214.13124	1.7
231.06488	4.7
231.10249	6.7
231.13789	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11552	1.1
55.05503	10.5
55.84463	1.2
57.07057	3.9
67.05180	1.5
67.05502	20.5
68.39665	1.0
69.03438	1.4
69.07059	21.3
69.84833	1.0
79.05495	7.5
81.06589	1.5
81.07051	25.8
83.08613	8.0
91.05475	14.8
93.07027	15.8
93.07983	1.0
95.08597	32.2
97.10163	1.6
105.07022	34.4
107.08585	25.4
109.10146	63.9
110.10506	1.2
111.11643	1.2
117.06985	4.5
119.08571	50.5
121.10135	19.3
123.11691	20.7
129.07043	1.7
131.08556	6.2
133.10118	35.9
135.11678	23.4
137.13229	3.7
142.50546	0.9
143.08568	4.2
145.10143	6.6
147.04402	1.0
147.11676	23.5
149.13255	8.5
157.10034	2.1
159.11639	6.0
161.13237	42.0
163.14908	1.1
171.11647	1.4
173.13234	6.6
174.13864	1.2
175.03963	2.5
175.14809	42.3
176.15176	1.2
185.13226	1.9
187.14799	2.7
188.15569	6.5
189.09058	1.5
189.16365	14.2
202.17122	2.7
203.10645	2.9
203.17868	2.1
229.57686	1.4
231.06419	1.5
231.10194	4.4
231.13776	5.3
231.17365	2.8
231.21054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98952	0.8
53.03910	0.9
55.05505	10.5
57.07045	3.5
62.51943	0.8
65.32678	0.8
67.05177	1.3
67.05502	20.6
69.03441	1.0
69.07059	20.0
69.59771	2.2
69.60190	3.8
72.08721	0.8
75.68243	0.9
79.05478	7.0
81.06585	1.6
81.07047	27.6
83.08603	10.4
91.05466	11.5
91.13365	0.9
93.07037	15.7
95.08595	29.1
97.10123	2.5
103.05458	1.0
105.07014	31.0
107.08574	20.0
109.06475	1.2
109.10144	61.9
113.83375	0.8
115.05366	0.8
117.07007	3.9
119.08562	43.8
121.10131	19.8
123.11694	22.6
131.08554	6.1
132.09299	1.3
133.10120	33.6
135.11676	20.6
137.13252	7.8
142.07852	0.9
143.08522	1.5
145.10078	7.0
147.11664	23.9
149.13237	9.3
159.08156	0.9
159.11696	3.5
160.12491	0.9
161.13245	42.2
163.14775	1.9
173.13232	7.2
174.13939	1.1
175.03999	1.0
175.07478	1.0
175.14804	42.6
176.15210	1.2
185.13129	1.1
187.14807	1.8
188.08157	0.9
188.15509	6.3
189.16353	13.2
202.17157	1.3
203.10605	1.8
203.17906	1.4
231.10190	3.0
231.13660	2.1
231.21049	100.0
232.21413	2.7
250.85938	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	7.6
57.07055	1.8
60.97166	1.4
67.05499	14.2
69.07064	14.0
69.27746	16.4
79.05485	5.9
81.07051	31.6
83.08611	8.3
91.05461	10.4
93.07033	16.6
95.08600	35.3
98.20727	3.2
105.07030	23.3
107.08574	28.8
109.10155	30.3
110.10505	1.4
116.83924	1.6
117.06996	3.1
119.08572	31.4
121.09288	2.7
121.10130	25.9
123.11691	23.8
129.07016	2.7
131.08601	1.9
133.10117	23.2
135.11653	15.2
137.13243	5.5
143.08527	2.6
145.10117	2.5
147.11658	18.0
148.11980	1.5
149.13252	11.4
159.11668	3.1
161.13254	29.2
163.14844	2.5
173.13295	2.4
175.14812	32.1
185.13298	1.8
188.08313	1.8
188.15678	1.7
189.09094	3.3
189.16388	4.9
203.10678	1.8
231.06505	3.2
231.10139	6.4
231.13727	7.4
231.21051	100.0
232.21715	1.9
241.69852	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01874	1.5
55.05502	1.4
56.05031	0.5
56.96561	100.0
57.03432	4.4
58.06609	0.6
58.99860	0.8
59.05005	0.4
61.02924	8.6
67.05492	1.0
68.99777	0.5
69.03427	5.8
69.07067	0.5
70.06588	1.1
70.95890	0.4
70.98109	0.9
70.99859	0.7
71.04988	1.3
71.51633	0.4
71.95258	1.5
72.08157	1.3
72.55517	0.4
72.93814	0.5
72.96045	1.1
73.02910	4.0
74.06063	2.1
74.97593	2.3
77.00906	1.5
79.05486	0.7
80.90061	0.4
81.03436	2.9
82.99863	1.5
83.04980	0.8
83.08630	0.6
84.08157	0.5
84.96022	5.2
85.02899	7.2
85.06517	0.6
86.09707	3.4
86.97576	0.6
87.04473	0.5
89.00816	0.9
91.05476	0.9
92.98655	0.9
93.07055	0.6
95.01929	0.7
95.04987	0.8
97.02884	5.8
97.99184	1.4
98.97563	8.6
99.04432	1.6
100.02425	0.4
100.99145	14.6
101.00879	12.6
101.07101	0.6
102.02289	0.6
102.97070	0.9
103.00624	1.7
103.02431	1.9
104.01266	0.6
105.02180	1.6
105.87837	0.4
107.00098	0.7
107.01817	0.5
107.04951	0.5
109.02861	1.2
110.01268	1.3
110.97562	7.7
112.07567	0.6
112.99117	0.9
113.02445	0.9
115.02414	4.1
116.00251	0.6
116.98619	7.1
117.03320	0.4
117.04036	0.5
117.07034	0.5
118.01040	0.7
119.00179	20.5
119.01911	52.9
120.00656	0.5
120.02013	1.7
121.01654	8.5
121.03519	1.2
121.06499	0.6
123.03211	0.9
126.97041	2.0
127.02433	1.0
127.03915	2.8
128.02316	2.4
128.98595	16.2
129.03987	0.8
130.08594	0.8
131.00133	1.1
131.01891	5.3
132.01923	0.7
132.10159	0.5
133.01686	1.8
133.03461	19.4
134.03590	1.1
134.99664	5.5
135.03166	1.3
135.04295	0.8
135.14572	0.5
137.01294	4.0
137.02936	14.6
137.05893	0.8
139.02621	3.5
139.04231	0.8
140.04930	0.6
140.98587	0.7
142.01782	1.1
142.03542	2.4
143.00113	1.6
143.01888	27.3
144.98082	9.9
144.99811	0.6
145.01622	1.7
145.03455	14.8
145.04739	0.7
146.03630	0.7
146.99640	24.8
147.03151	3.1
147.05014	1.7
148.97536	0.8
149.01097	2.9
149.02939	2.1
151.02672	0.8
151.04529	7.0
152.04971	0.8
153.00725	1.4
153.05772	0.8
155.01878	1.9
156.04985	0.8
157.03468	3.9
158.99646	2.0
159.03207	1.8
159.05072	0.9
160.02873	0.7
160.04633	0.5
160.06328	0.6
161.02946	59.6
162.01807	0.9
162.03139	1.5
162.99138	21.9
163.02704	3.8
163.04434	6.1
163.07474	0.5
163.99416	0.6
164.02266	0.5
165.00711	22.6
165.04228	2.2
167.02083	1.3
167.03423	1.7
167.07039	0.8
167.99683	0.8
170.01230	1.4
170.99695	0.9
171.05037	1.0
172.97559	5.0
173.01202	1.8
173.02943	11.5
173.06381	0.6
175.00958	0.6
175.02867	0.7
175.04526	8.5
177.00682	1.8
177.02327	1.7
177.03934	0.6
177.05635	0.7
179.02165	0.7
179.03935	1.3
181.00159	4.5
181.03726	1.0
182.04842	0.6
183.01735	10.1
183.05096	0.5
184.04530	4.2
185.01387	0.7
185.03017	2.9
185.04623	0.4
186.00763	1.1
186.99141	2.0
187.00867	2.8
187.02727	4.0
187.04523	3.1
188.02278	1.7
189.00656	2.7
189.02444	1.3
189.04178	0.6
190.98624	25.4
191.02199	8.7
191.03983	19.8
191.53967	0.8
192.02669	0.5
193.00240	0.8
197.03000	1.0
198.06104	0.7
199.04474	0.7
201.00719	0.7
201.02469	1.8
202.98656	1.0
203.03966	2.4
203.07425	0.7
205.00146	1.5
205.01904	1.9
205.03781	1.9
205.05510	0.9
207.01721	1.2
207.03497	0.7
208.99684	56.3
209.03148	2.2
210.00348	0.7
210.02472	1.6
210.04318	2.3
210.06154	0.8
213.03383	1.3
214.00259	2.7
214.05518	2.1
215.03998	1.4
215.10376	0.5
219.01678	1.3
219.03467	0.9
221.03072	0.7
221.05014	1.5
223.01074	0.7
227.00711	8.7
229.01953	0.9
231.01727	0.8
232.01263	3.6
232.99603	1.3
233.03177	0.4
233.04709	8.1
233.06764	1.5
233.12134	1.1
233.15251	1.5
237.02875	2.7
245.05122	0.7
249.02811	1.2
251.04167	1.0
251.06345	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01874	1.5
55.05502	1.4
56.05031	0.5
56.96561	100.0
57.03432	4.4
58.06609	0.6
58.99860	0.8
59.05005	0.4
61.02924	8.6
67.05492	1.0
68.99777	0.5
69.03427	5.8
69.07067	0.5
70.06588	1.1
70.95890	0.4
70.98109	0.9
70.99859	0.7
71.04988	1.3
71.51633	0.4
71.95258	1.5
72.08157	1.3
72.55517	0.4
72.93814	0.5
72.96045	1.1
73.02910	4.0
74.06063	2.1
74.97593	2.3
77.00906	1.5
79.05486	0.7
80.90061	0.4
81.03436	2.9
82.99863	1.5
83.04980	0.8
83.08630	0.6
84.08157	0.5
84.96022	5.2
85.02899	7.2
85.06517	0.6
86.09707	3.4
86.97576	0.6
87.04473	0.5
89.00816	0.9
91.05476	0.9
92.98655	0.9
93.07055	0.6
95.01929	0.7
95.04987	0.8
97.02884	5.8
97.99184	1.4
98.97563	8.6
99.04432	1.6
100.02425	0.4
100.99145	14.6
101.00879	12.6
101.07101	0.6
102.02289	0.6
102.97070	0.9
103.00624	1.7
103.02431	1.9
104.01266	0.6
105.02180	1.6
105.87837	0.4
107.00098	0.7
107.01817	0.5
107.04951	0.5
109.02861	1.2
110.01268	1.3
110.97562	7.7
112.07567	0.6
112.99117	0.9
113.02445	0.9
115.02414	4.1
116.00251	0.6
116.98619	7.1
117.03320	0.4
117.04036	0.5
117.07034	0.5
118.01040	0.7
119.00179	20.5
119.01911	52.9
120.00656	0.5
120.02013	1.7
121.01654	8.5
121.03519	1.2
121.06499	0.6
123.03211	0.9
126.97041	2.0
127.02433	1.0
127.03915	2.8
128.02316	2.4
128.98595	16.2
129.03987	0.8
130.08594	0.8
131.00133	1.1
131.01891	5.3
132.01923	0.7
132.10159	0.5
133.01686	1.8
133.03461	19.4
134.03590	1.1
134.99664	5.5
135.03166	1.3
135.04295	0.8
135.14572	0.5
137.01294	4.0
137.02936	14.6
137.05893	0.8
139.02621	3.5
139.04231	0.8
140.04930	0.6
140.98587	0.7
142.01782	1.1
142.03542	2.4
143.00113	1.6
143.01888	27.3
144.98082	9.9
144.99811	0.6
145.01622	1.7
145.03455	14.8
145.04739	0.7
146.03630	0.7
146.99640	24.8
147.03151	3.1
147.05014	1.7
148.97536	0.8
149.01097	2.9
149.02939	2.1
151.02672	0.8
151.04529	7.0
152.04971	0.8
153.00725	1.4
153.05772	0.8
155.01878	1.9
156.04985	0.8
157.03468	3.9
158.99646	2.0
159.03207	1.8
159.05072	0.9
160.02873	0.7
160.04633	0.5
160.06328	0.6
161.02946	59.6
162.01807	0.9
162.03139	1.5
162.99138	21.9
163.02704	3.8
163.04434	6.1
163.07474	0.5
163.99416	0.6
164.02266	0.5
165.00711	22.6
165.04228	2.2
167.02083	1.3
167.03423	1.7
167.07039	0.8
167.99683	0.8
170.01230	1.4
170.99695	0.9
171.05037	1.0
172.97559	5.0
173.01202	1.8
173.02943	11.5
173.06381	0.6
175.00958	0.6
175.02867	0.7
175.04526	8.5
177.00682	1.8
177.02327	1.7
177.03934	0.6
177.05635	0.7
179.02165	0.7
179.03935	1.3
181.00159	4.5
181.03726	1.0
182.04842	0.6
183.01735	10.1
183.05096	0.5
184.04530	4.2
185.01387	0.7
185.03017	2.9
185.04623	0.4
186.00763	1.1
186.99141	2.0
187.00867	2.8
187.02727	4.0
187.04523	3.1
188.02278	1.7
189.00656	2.7
189.02444	1.3
189.04178	0.6
190.98624	25.4
191.02199	8.7
191.03983	19.8
191.53967	0.8
192.02669	0.5
193.00240	0.8
197.03000	1.0
198.06104	0.7
199.04474	0.7
201.00719	0.7
201.02469	1.8
202.98656	1.0
203.03966	2.4
203.07425	0.7
205.00146	1.5
205.01904	1.9
205.03781	1.9
205.05510	0.9
207.01721	1.2
207.03497	0.7
208.99684	56.3
209.03148	2.2
210.00348	0.7
210.02472	1.6
210.04318	2.3
210.06154	0.8
213.03383	1.3
214.00259	2.7
214.05518	2.1
215.03998	1.4
215.10376	0.5
219.01678	1.3
219.03467	0.9
221.03072	0.7
221.05014	1.5
223.01074	0.7
227.00711	8.7
229.01953	0.9
231.01727	0.8
232.01263	3.6
232.99603	1.3
233.03177	0.4
233.04709	8.1
233.06764	1.5
233.12134	1.1
233.15251	1.5
237.02875	2.7
245.05122	0.7
249.02811	1.2
251.04167	1.0
251.06345	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0806
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
55.05483	0.4
71.32511	0.9
71.61238	0.4
76.84705	0.3
78.82958	0.4
80.38226	0.3
81.07031	0.4
91.05467	2.2
103.05466	0.6
105.07024	0.6
109.07051	0.4
115.05448	0.7
116.06216	1.3
117.06944	0.4
119.04902	0.7
128.06209	1.7
129.06961	1.3
131.08546	1.2
135.08047	0.6
144.05704	3.3
145.06474	13.2
145.07628	0.7
155.06044	0.5
157.06523	0.6
157.70139	0.3
158.07289	0.6
159.08037	7.7
163.07533	0.8
172.05162	0.6
173.05974	0.5
174.06686	1.7
176.08270	0.6
177.09059	0.6
187.07536	26.4
188.08301	16.9
188.10014	0.5
189.09019	1.4
190.06253	3.1
191.10612	0.6
203.10698	1.2
205.08565	0.5
205.12230	1.2
215.07060	1.8
218.05695	1.5
233.08066	100.0
233.82515	0.4
234.08292	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0807
Annotation	Methyl piperate
Peak:m/z	Relative Intensity
67.01850	4.8
71.52919	1.1
71.53296	1.1
79.05476	1.4
81.07024	1.8
83.40932	0.9
91.05466	4.0
93.07017	1.3
95.04919	0.9
95.08601	1.0
105.03374	6.6
105.07019	1.5
107.08598	0.7
112.26815	0.7
115.05438	7.9
117.07004	10.6
119.08561	1.3
119.12317	0.7
121.06464	1.1
121.10107	1.2
129.06979	1.3
131.08524	1.5
133.02837	46.6
133.10149	0.8
134.03160	0.8
145.06464	58.9
146.06879	0.8
147.07947	0.9
155.06082	0.7
158.07314	1.1
159.07996	3.0
159.11678	1.0
161.05978	1.1
172.08728	1.5
173.05962	100.0
174.06485	1.9
174.10414	1.5
175.07489	1.1
176.08304	2.9
177.09094	1.9
187.07460	3.5
188.08311	5.3
189.09050	2.2
190.09851	0.8
191.10657	1.6
201.05444	46.2
202.05812	0.8
203.10622	5.2
205.12218	4.7
215.06934	1.2
215.14250	0.9
219.06500	73.5
220.06912	1.3
233.08043	20.7
233.11571	4.5
233.15236	3.6
233.18970	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	233.0806
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
53.03959	0.5
53.59702	0.4
55.05487	0.5
57.78833	0.4
69.07037	0.5
70.83456	1.1
73.62558	0.5
79.05479	0.7
81.07057	0.5
91.05481	7.3
93.07061	0.6
103.05447	1.6
105.07046	0.7
107.08611	0.8
109.10174	0.6
115.05434	2.5
116.06229	9.3
117.07015	0.6
119.08597	0.8
121.10084	0.7
127.05444	0.8
128.06197	7.6
129.07004	8.9
131.08540	3.4
135.08029	0.6
144.05690	17.8
145.06502	3.1
147.08038	3.3
147.11685	0.5
155.04924	0.6
155.06044	1.8
157.06502	0.8
158.07234	1.2
159.08043	81.9
160.08376	1.1
161.05977	0.7
161.09688	0.5
172.05154	1.6
172.08853	0.9
173.05940	0.7
173.09660	0.7
173.13191	0.5
174.06799	0.6
174.10379	1.2
175.07521	1.0
176.08339	1.9
177.09088	0.8
187.07529	100.0
188.08128	4.0
189.09068	0.9
203.10680	3.2
205.12228	2.8
215.07004	41.1
233.08072	54.9
233.11804	1.8
233.15353	2.0
233.19017	1.3
234.08452	1.0
249.35719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0805
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
50.92414	0.5
52.36513	0.4
53.03942	0.6
58.50974	0.5
67.05508	0.7
69.61517	3.7
79.05485	0.9
81.07054	1.1
91.05473	10.3
95.04953	0.7
95.08591	0.6
103.05489	1.3
105.07027	1.0
107.08585	0.8
115.05434	3.6
116.06236	10.1
119.08588	1.0
127.05429	1.0
128.06215	7.7
129.06990	12.9
131.08542	3.8
133.10133	0.5
144.05701	21.6
145.06485	3.1
145.10136	0.9
147.08022	4.6
155.06039	2.1
157.06500	0.6
158.07253	0.9
159.08041	87.9
160.08395	1.8
172.05186	2.3
172.08826	1.2
173.05962	1.0
174.06786	1.0
174.10359	1.0
175.14885	0.6
176.08289	1.9
187.07524	100.0
188.08162	4.6
189.09071	0.9
195.53795	0.5
203.10648	1.8
205.12274	2.5
215.07007	40.7
216.07301	0.8
228.10095	0.5
233.08063	54.7
233.11745	1.4
233.15230	2.9
233.19003	1.2
234.08424	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1168
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
57.07053	4.1
67.05483	7.0
68.96238	2.6
69.07063	3.5
71.52317	2.6
71.52730	5.7
79.05472	6.5
81.07013	7.7
90.39505	2.8
91.05465	16.1
93.07031	4.9
95.04922	6.5
95.08596	4.2
103.05441	4.8
103.55981	2.8
104.01158	2.7
105.06995	16.9
107.04904	5.2
107.08513	5.9
109.06446	3.4
109.10133	3.5
115.05407	5.4
116.06159	4.0
117.06972	7.5
119.08537	8.7
120.95718	3.5
121.06490	5.7
121.10046	2.6
128.06155	4.6
129.06915	12.0
130.07672	3.2
131.04846	3.3
131.08490	10.6
132.05617	3.3
132.08017	3.3
133.06448	7.7
133.10010	4.3
135.07970	4.1
143.08482	6.6
144.05688	14.0
145.06390	12.8
145.10037	9.7
146.05937	4.3
146.07156	6.3
147.07973	8.2
149.09552	3.9
150.09061	7.0
151.07445	12.3
155.05957	2.9
157.06386	5.5
158.07269	20.8
159.04305	3.0
159.08022	33.9
160.08754	4.7
161.05977	27.4
161.08330	3.1
163.07404	5.3
163.48526	3.3
165.09062	3.4
171.07904	3.1
172.08771	17.6
173.05971	14.3
173.09612	17.2
173.13145	3.7
174.06670	11.5
174.10387	34.4
175.07558	18.6
175.11113	4.6
176.08311	100.0
177.05394	7.6
177.08946	6.4
178.06160	3.4
178.08592	27.5
187.07458	19.2
188.08319	44.3
189.05403	5.9
189.09061	28.5
190.09917	15.9
191.06906	7.3
191.10625	22.9
192.07654	3.3
192.10048	4.0
193.10863	12.7
201.08968	10.0
202.09813	25.7
203.07045	15.9
203.10661	50.0
205.08626	3.7
205.12224	87.8
215.10623	5.2
217.08383	5.2
218.09346	24.4
222.02110	3.1
233.08081	30.9
233.11583	98.3
233.14864	19.6
233.18791	7.7
234.14725	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	233.1169
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
55.05497	1.2
56.96551	1.8
57.07052	1.8
67.05484	3.1
69.03411	1.0
69.07055	2.3
71.53322	1.9
79.05455	3.2
80.50693	0.9
81.07041	3.1
82.71826	0.9
83.04946	1.8
91.05451	6.8
93.07003	3.4
95.04925	1.7
95.08608	2.6
97.06493	1.7
103.05449	1.4
105.07013	7.7
107.04935	2.3
107.08553	2.9
109.06524	1.5
109.10130	1.1
112.35772	0.9
115.05420	5.6
116.06221	2.0
117.07005	5.6
119.04900	1.0
119.08595	5.0
120.74796	1.1
121.06466	7.7
121.10106	2.0
123.08052	1.1
128.06213	7.7
129.07013	7.8
130.07736	2.0
131.04901	3.8
131.08539	7.1
133.06480	1.9
133.10085	3.7
135.08025	4.3
137.05923	3.3
139.07475	1.2
141.06924	3.4
142.07780	1.2
143.04897	3.1
143.08525	4.1
144.05690	5.8
145.06470	19.1
145.10124	4.9
146.07211	2.4
147.08038	3.1
147.11607	2.1
149.06006	4.7
149.09601	2.2
151.07491	2.6
155.06012	1.6
157.06454	8.4
158.07249	15.6
159.04413	7.7
159.08028	25.4
159.11650	3.1
160.08807	3.6
161.05936	9.2
161.09532	1.1
161.13243	1.3
162.06627	1.2
163.07526	3.5
171.08034	1.2
172.05132	2.2
172.08818	31.6
173.05975	26.7
173.09573	7.4
173.13205	3.7
174.06747	20.5
174.10373	30.6
175.07510	8.6
175.11029	3.6
176.08311	42.5
177.05382	1.2
177.09053	6.8
187.07527	9.5
187.11118	1.4
187.14870	2.0
188.08305	82.8
189.09076	30.5
190.09866	9.4
191.07010	2.3
191.10620	18.0
192.07857	1.2
201.08968	1.3
202.09731	1.2
203.10645	100.0
204.11105	3.8
205.08546	3.1
205.12216	94.1
206.12512	1.9
206.74620	1.2
215.06956	2.0
215.10599	4.4
215.14249	2.1
215.17921	1.6
218.09285	2.6
233.04373	1.8
233.08069	23.6
233.11667	32.5
233.15233	8.8
233.18828	5.0
233.25639	1.4
234.08624	0.9
234.11264	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1169
Annotation	Drupanin
Peak:m/z	Relative Intensity
52.34093	0.8
55.01836	1.6
55.05498	2.1
55.32504	0.8
56.19795	0.9
57.07057	1.1
65.03925	1.1
67.05475	2.5
68.99760	0.9
69.03412	3.0
69.07073	1.0
69.34561	3.3
69.34995	4.1
71.04976	1.1
71.34969	0.9
79.05488	7.3
81.03393	2.1
81.07047	3.0
85.02890	1.0
91.05456	6.7
93.07035	4.2
95.04949	2.5
95.08588	2.0
97.06523	1.9
98.21482	1.8
99.91212	0.8
103.05447	3.1
105.07037	8.9
107.04938	5.5
107.08589	5.1
109.06492	1.6
109.10120	0.9
115.05448	13.8
116.06187	1.9
117.07011	15.1
119.04936	1.0
119.08566	7.8
121.06462	2.5
121.10146	1.4
123.08047	2.1
127.05520	0.8
128.06209	11.2
129.07002	13.0
130.07764	7.3
131.04892	8.3
131.08571	5.5
132.05681	7.0
133.06483	1.6
133.10088	2.2
135.08038	53.0
135.11633	1.4
137.05971	2.9
139.07495	1.0
141.06984	25.2
142.07710	2.7
143.04884	1.9
143.08549	16.3
144.05690	11.9
144.09328	5.6
145.06477	31.4
145.10112	16.3
147.04356	0.9
147.08052	2.8
147.11700	1.6
149.05963	1.3
149.09561	1.7
151.06378	0.9
151.07468	2.0
153.05447	1.3
153.06976	2.9
154.06343	1.1
154.07722	2.8
155.06030	3.5
155.08548	8.6
156.09373	5.1
157.06468	6.5
157.10080	1.7
158.07260	35.5
159.08049	7.6
159.11702	10.3
160.05209	2.6
161.05977	3.0
161.09592	2.4
162.03027	1.4
163.07527	1.7
167.07028	1.6
169.06456	11.5
169.07649	1.0
169.10095	2.0
170.07283	1.0
171.08066	6.2
171.11665	1.5
172.05208	10.6
172.08818	15.9
173.06026	8.4
173.09607	48.2
173.13248	2.7
174.06714	2.2
174.10138	1.5
175.07545	3.3
175.11169	2.5
177.05444	7.6
183.08006	2.7
183.09361	1.4
185.05911	1.8
186.06812	4.5
187.07532	2.6
187.11154	17.6
187.14867	2.6
189.05455	1.8
189.09044	4.8
189.12711	1.4
190.06152	2.6
191.07019	3.7
191.10565	1.6
191.14240	2.5
192.07802	12.4
197.09619	1.8
200.04654	1.6
200.08351	2.8
201.09082	51.4
202.09502	2.5
203.07011	6.1
204.07750	0.9
205.08554	9.9
205.12149	1.0
215.07124	1.2
215.10652	12.3
215.14192	2.2
218.05704	2.3
218.09332	5.0
233.08293	11.0
233.11703	100.0
233.15033	10.1
234.12042	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.117
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
51.77870	0.5
55.05490	1.2
57.07077	0.8
62.37086	0.5
63.97680	0.4
67.05479	2.0
67.11950	0.5
69.07042	1.6
69.36721	5.1
79.05473	1.6
81.07038	2.3
91.05463	3.5
93.07027	2.6
95.04973	1.0
95.08587	2.5
97.06508	0.9
98.21546	1.2
103.05419	1.5
105.07009	5.1
107.04901	0.6
107.08575	2.1
109.06488	0.6
109.10163	0.8
115.05443	4.0
116.06194	1.8
117.07005	3.7
119.04939	1.0
119.08548	2.3
121.06500	3.9
121.10136	1.0
123.08069	0.7
125.09411	0.5
128.06215	8.3
129.06989	7.8
130.07748	1.9
131.04900	3.6
131.08569	4.1
133.06468	2.2
133.10114	2.3
135.08011	1.3
135.11641	1.0
137.05960	2.9
141.06960	1.7
142.07755	1.2
143.04907	3.0
143.08537	5.2
144.05693	5.2
144.09250	0.5
145.06473	16.3
145.10103	4.6
146.07219	2.1
147.04279	0.7
147.08101	1.1
147.11653	0.9
149.05911	2.9
149.09659	0.6
151.07533	3.6
155.06009	1.1
155.08435	0.8
156.05649	1.0
157.06467	9.5
157.10083	1.0
158.07259	14.3
159.04410	6.3
159.08034	24.0
159.11668	2.2
160.08864	2.7
161.05945	9.0
161.09584	2.2
162.06718	0.9
163.07498	2.3
163.11177	0.8
171.08032	1.8
172.05240	1.1
172.08820	31.8
173.04434	0.9
173.05971	25.5
173.09616	6.7
173.13228	2.6
174.06752	19.2
174.10385	27.0
175.07526	8.1
175.11015	2.5
176.08308	33.7
177.09113	4.1
187.07448	2.5
187.11102	1.1
187.14836	1.3
188.08304	88.6
189.09088	32.0
190.06247	0.7
190.09863	8.9
191.10658	9.5
191.14201	1.6
197.13162	0.6
201.09064	1.3
202.09851	1.1
203.10646	100.0
204.11087	3.5
205.08746	2.0
205.12218	84.7
206.12567	1.7
215.10661	3.1
215.14314	1.5
215.17908	1.6
218.05704	0.6
218.09364	0.8
229.74741	0.6
233.08238	4.0
233.11700	28.4
233.15179	3.3
233.19069	1.3
233.22769	0.7
234.12090	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.117
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
56.66358	1.3
58.35904	1.3
67.05482	2.9
69.47163	12.5
79.05468	4.3
81.07050	4.4
91.05480	4.2
93.07028	3.7
95.08561	2.9
105.07009	4.6
107.08593	3.7
109.06549	1.5
111.23231	1.4
111.55597	1.6
115.05437	4.6
116.06247	2.0
117.06983	4.2
119.08569	3.3
121.06498	5.9
121.10065	1.5
123.11662	1.6
128.06223	7.8
129.06975	7.9
131.04869	3.7
131.08531	5.5
135.08035	2.4
137.05925	3.4
141.06981	3.3
143.04933	3.3
143.08545	2.8
144.05672	4.9
145.06464	17.3
145.10085	5.1
146.07240	2.4
147.08034	2.8
149.06001	3.4
149.09583	1.5
151.07549	2.9
157.06499	7.3
158.07243	13.0
159.04410	5.7
159.08041	22.8
159.11728	2.7
160.08829	3.0
161.05997	9.3
161.13382	2.3
163.07571	2.3
172.05222	2.2
172.08809	30.0
173.05959	24.4
173.09608	8.9
173.13272	2.1
173.66518	1.8
174.06776	16.5
174.10382	31.0
175.07565	9.0
176.08310	44.4
177.09038	5.0
180.48718	1.4
187.07547	2.1
187.11131	1.7
187.14853	2.6
188.08307	74.1
189.09085	25.4
190.09882	8.9
191.10611	8.5
200.11821	1.6
203.10648	100.0
204.11197	3.1
205.12221	83.7
215.10667	3.5
215.14310	3.5
215.17888	1.8
218.09293	1.7
219.18524	1.5
230.03427	1.5
233.08174	7.1
233.11681	31.2
233.15332	6.7
233.19032	3.0
233.22392	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1169
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
53.03930	0.7
55.01877	0.9
55.05500	1.0
56.96561	0.9
57.07059	0.8
57.85368	0.7
60.62086	0.8
67.05492	2.4
69.03406	1.0
69.07058	2.1
69.98173	3.5
71.29865	0.5
79.05479	2.9
81.03404	0.7
81.07049	3.5
83.04973	1.2
91.05466	5.2
93.07030	3.4
95.04976	1.8
95.08601	2.3
97.06525	1.9
103.05486	0.9
105.07021	5.7
107.04953	1.6
107.08574	2.6
108.39165	0.6
109.02904	0.8
109.06509	1.0
109.10173	1.4
115.05408	5.0
116.06219	1.6
117.07023	3.8
117.61797	0.7
118.01330	0.7
119.04969	1.1
119.08610	3.2
121.06480	6.0
121.10129	1.7
123.08012	0.7
127.13078	0.8
128.06210	7.8
129.06998	8.3
130.07768	2.2
131.04906	3.3
131.08545	4.9
133.06471	2.5
133.10117	2.0
135.08002	2.0
135.11671	1.4
137.05954	3.5
139.03830	0.8
141.07002	2.9
142.07832	1.4
143.04916	3.6
143.08557	4.3
144.05710	5.5
145.06471	19.3
145.10092	6.4
146.07257	1.1
147.08028	3.1
149.05959	2.8
149.09622	0.9
151.07484	3.2
151.11047	1.1
155.06003	1.1
156.05664	1.6
157.06488	8.6
158.07262	15.8
159.04416	5.4
159.08035	24.4
159.11655	2.7
160.05188	1.0
160.08839	3.3
161.05956	8.7
161.09592	1.7
163.07515	2.4
165.09102	0.8
168.32326	0.7
169.07713	0.8
169.10133	0.8
171.08035	1.5
172.05122	2.1
172.08815	29.0
173.05974	27.0
173.09570	9.0
173.13274	1.4
174.06755	20.0
174.10379	31.1
175.07512	7.0
175.11101	2.3
176.08310	36.1
177.09048	4.1
187.07527	2.5
187.11137	2.4
187.14743	1.8
188.08305	78.9
189.09085	35.2
190.06244	0.9
190.09868	9.7
190.34053	0.7
191.10680	8.9
200.08226	0.8
202.09840	1.4
203.10646	100.0
204.11147	4.9
205.08635	2.6
205.12215	79.3
206.12544	2.7
215.10704	4.4
215.14255	1.6
215.17917	1.6
218.05634	1.2
218.09375	2.2
233.08127	8.0
233.11697	26.5
233.15204	5.8
233.19016	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	233.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97309	0.9
55.05505	1.8
57.07077	1.0
59.94567	0.9
67.00577	0.9
67.05495	3.3
69.03404	1.1
69.07069	2.4
71.04976	1.0
79.05474	3.6
81.07054	5.0
82.41463	0.8
91.05469	6.1
93.07046	4.9
95.04964	2.0
95.08611	4.0
98.21465	1.8
99.04362	0.9
103.05505	1.8
105.07039	5.9
107.08589	5.4
109.06503	1.9
109.10134	1.9
115.05435	5.6
116.06216	1.4
116.72754	0.9
117.07007	7.1
119.04913	1.9
119.08604	4.7
121.06508	4.6
121.10138	1.9
123.08080	2.6
128.06200	7.9
129.06979	5.4
130.07748	1.7
131.04924	3.1
131.08539	5.2
133.06487	2.0
133.10117	3.6
135.08054	1.4
135.11674	2.6
137.05960	3.7
141.07004	2.3
142.07700	1.2
143.04893	2.4
143.08571	6.3
144.05708	4.8
145.06474	17.6
145.10097	5.5
146.07210	1.5
147.08051	2.1
147.11725	1.4
149.05978	2.5
149.09543	1.5
151.07518	4.7
155.05980	1.2
156.05623	1.4
156.09381	1.0
157.06480	9.8
158.07249	14.0
159.04430	4.6
159.08037	25.1
159.11690	3.4
160.08777	3.0
161.05969	11.5
161.09561	1.3
161.13138	0.9
163.07504	2.7
163.11179	0.9
169.07645	1.1
171.08009	2.0
172.05161	1.8
172.08821	30.5
173.05972	25.4
173.09554	7.2
173.13248	2.8
174.06761	17.2
174.10385	29.5
175.07524	7.9
175.11003	2.5
176.08316	42.9
177.09019	3.8
187.07552	2.3
187.11214	1.1
187.14833	3.3
188.08308	83.5
189.05382	1.1
189.09090	27.9
190.06111	0.9
190.09875	8.9
191.10664	12.4
201.05473	1.6
203.10654	100.0
204.07793	0.9
204.11182	3.4
205.12224	91.8
206.12610	1.9
215.10667	4.0
215.14314	3.1
215.17845	1.2
218.09341	1.4
233.08075	6.5
233.11700	29.9
233.15292	7.4
233.18942	4.6
248.56786	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.2
55.05510	4.5
56.05028	14.8
56.96552	14.6
57.03431	3.6
57.07052	4.3
58.06573	4.3
59.05016	3.6
59.93639	3.2
62.18919	3.5
67.05506	9.4
69.03410	10.6
71.04959	3.6
71.44556	6.8
74.06075	81.7
75.04466	3.3
76.02225	6.0
79.05487	13.4
81.03419	22.4
81.07050	46.1
83.04971	9.5
84.04498	9.3
85.02885	15.8
86.09690	18.0
91.05476	57.1
93.07034	13.5
95.04961	12.5
95.08591	10.7
97.02876	6.8
98.97565	4.8
103.05460	3.3
105.07023	33.7
105.40003	4.5
107.04939	21.8
109.06491	18.2
116.98621	5.4
117.07045	6.1
119.04908	4.2
119.08579	4.7
121.02835	3.6
121.06497	100.0
121.10213	3.7
123.08068	43.6
131.04881	6.0
131.08571	7.3
132.10167	17.8
132.95755	4.7
133.06471	26.3
135.08034	25.1
141.09116	7.8
145.06491	6.5
145.10135	5.4
146.99678	4.4
147.04419	4.5
147.08037	68.0
151.07533	10.9
158.05948	4.5
158.49323	3.5
159.08022	6.6
159.11694	4.2
161.98216	3.7
167.03503	3.5
173.05940	5.1
177.05489	5.1
183.10118	5.9
185.52481	3.1
187.07286	5.0
187.08693	13.0
187.14514	8.0
190.02551	3.7
190.98703	4.4
191.01875	3.2
205.08583	7.7
215.07040	7.0
215.14282	3.9
233.04480	14.3
233.07915	23.1
233.11691	6.1
233.15245	23.3
233.18916	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	233.1533
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
50.26304	1.4
52.40658	1.4
53.03933	2.0
55.01852	4.4
55.05502	5.8
57.07072	6.8
59.04978	3.4
65.03908	2.2
67.05499	13.9
67.91046	1.2
69.03424	12.6
69.07048	6.2
69.55795	10.8
71.04967	5.3
79.05487	13.7
79.23169	1.7
81.03384	1.6
81.07040	13.9
83.04976	9.3
83.08585	2.5
85.02867	1.9
85.06535	9.5
91.05471	24.9
93.07030	22.0
94.08701	1.3
95.04950	16.9
95.08596	7.5
97.02848	3.2
97.06512	7.6
99.04466	1.4
103.05452	1.9
105.07014	31.6
107.04910	5.2
107.08576	28.9
109.06523	7.7
109.10143	7.6
111.08064	6.1
113.05966	4.0
114.94987	1.6
115.05406	4.7
115.96580	1.5
116.06170	2.3
117.06997	11.0
119.04967	2.2
119.05927	1.4
119.08560	20.4
121.06490	11.2
121.10121	33.6
122.07257	6.5
123.08043	7.1
125.05893	1.6
125.09573	5.0
127.07527	5.3
128.06204	4.9
129.06970	7.7
130.07751	6.5
131.04910	2.2
131.08543	37.7
133.06474	4.0
133.10107	16.8
135.08005	6.7
135.11674	3.9
135.78325	1.5
137.05952	4.2
137.09592	30.6
139.07549	2.9
141.06976	5.3
142.07735	2.6
143.08546	9.7
144.05658	3.6
144.09325	2.6
145.06445	10.6
145.10101	63.9
146.10840	5.1
147.07991	8.3
147.11670	8.8
149.05952	3.2
149.09596	48.6
149.13177	1.7
151.03824	2.0
151.11134	2.6
153.09084	6.1
155.08487	2.2
156.09329	2.1
157.10158	7.3
158.07260	6.9
158.10883	3.6
159.08049	9.5
159.11649	8.7
161.05960	3.8
161.09605	3.3
163.07510	2.9
163.11163	8.4
163.14821	1.9
164.85054	1.3
169.10060	2.9
170.82275	1.4
171.07877	1.9
171.11652	3.3
172.05223	3.3
172.12399	1.6
173.05989	2.3
173.09610	20.1
173.13234	19.3
174.06761	6.9
175.07468	4.0
175.11186	11.0
177.05489	1.8
177.09114	8.7
187.07524	3.4
187.11148	5.3
187.14796	14.9
189.09138	3.2
189.12694	3.5
190.06213	2.1
191.06999	2.9
191.10609	3.0
191.14331	7.2
197.13268	4.6
201.09109	7.9
203.06973	3.6
205.08519	1.8
205.12268	3.0
205.15851	3.4
215.07152	2.1
215.10643	2.7
215.14293	14.6
215.17780	2.4
233.04375	1.7
233.08034	16.1
233.11839	15.0
233.15323	100.0
233.19012	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	233.1897
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03938	1.8
55.01857	2.7
55.05507	10.5
57.03426	2.4
57.07066	7.4
57.12675	0.9
67.05495	23.7
69.07064	7.5
69.58875	7.4
71.04975	3.4
73.29813	1.0
79.05482	26.8
81.03402	0.9
81.06589	1.9
81.07043	31.2
83.04976	10.8
83.08588	3.9
83.60951	0.8
85.02804	0.9
85.06515	3.6
91.05466	32.7
93.07029	30.8
95.04951	4.5
95.08592	25.1
97.06528	6.4
97.10147	2.8
98.21481	1.9
105.07020	25.6
107.04919	2.1
107.08573	20.5
109.06507	6.7
109.10145	12.1
111.08035	3.1
115.05421	1.7
117.07001	21.2
119.08562	21.2
120.22704	0.8
121.06503	2.7
121.09325	1.6
121.10127	22.0
123.08047	4.0
123.11678	4.3
125.09570	1.1
129.06989	3.6
131.08549	51.3
133.09100	2.3
133.10104	36.7
135.08047	8.5
135.11671	17.2
137.05980	1.4
137.09602	3.3
137.13219	3.5
139.11133	1.4
143.08522	1.9
145.06491	2.4
145.10101	29.7
147.11670	18.7
149.09593	12.8
149.13226	9.4
151.11179	2.6
153.09081	1.9
157.10083	1.9
158.07253	1.5
159.08052	4.3
159.11671	31.1
161.05962	1.3
161.13252	6.2
163.11151	3.2
171.11603	1.5
172.08783	1.7
173.05865	1.9
173.09573	1.7
173.13239	26.3
174.06761	1.6
174.10391	2.3
175.07448	1.5
175.14761	5.0
176.08295	6.2
177.05360	1.5
177.12714	2.3
187.14784	11.5
188.08264	6.7
189.09077	2.4
189.16341	27.8
191.06953	1.1
191.14268	1.4
191.17979	1.9
201.55490	1.0
203.10666	7.3
205.12247	5.2
205.15802	1.9
205.19522	2.6
215.17929	100.0
216.18268	3.0
233.08009	7.1
233.11717	5.4
233.15250	4.2
233.18971	96.5
234.19250	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1897
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
51.02364	1.8
53.03933	2.9
55.01856	5.1
55.05502	17.6
57.03432	3.7
57.06876	1.1
57.07068	11.4
65.03920	1.9
67.05174	2.4
67.05497	33.9
69.03432	8.3
69.07058	12.4
70.06574	3.5
71.01682	2.7
71.02051	2.5
71.04999	6.8
71.06903	1.3
71.08626	1.5
77.03913	1.7
79.05482	34.5
81.03398	3.7
81.07045	47.1
83.04971	13.1
83.08595	5.1
85.06532	5.7
88.07615	4.1
91.04901	2.6
91.05469	50.6
93.07034	47.1
95.04945	13.3
95.08596	38.7
97.06509	17.2
97.10159	3.8
99.04430	4.5
99.08073	1.7
103.05440	3.6
105.07018	53.5
106.08653	1.6
107.04929	6.4
107.08572	34.5
109.02862	3.4
109.06506	11.7
109.10135	20.0
111.04437	2.3
111.08064	4.4
115.05422	6.9
116.06229	3.7
117.06219	2.7
117.07002	39.2
119.04928	9.4
119.08566	41.0
121.06490	12.6
121.10125	29.2
123.04409	3.1
123.08086	9.8
123.11677	6.8
125.05991	1.5
125.09598	2.3
127.07545	1.9
128.06181	4.8
129.07007	9.9
130.07803	6.7
131.04877	4.5
131.08549	68.2
132.09042	1.5
133.06479	3.9
133.10112	44.7
135.04443	2.7
135.08037	9.1
135.11673	21.0
137.05948	9.9
137.09595	7.8
137.13228	1.6
139.03821	1.5
139.07524	2.0
141.06931	5.2
142.07758	2.2
143.08568	7.0
144.05707	6.7
144.09341	5.2
145.06462	17.1
145.10107	64.0
147.04335	1.9
147.08029	7.5
147.11653	24.1
148.08714	1.3
149.05959	2.1
149.09610	11.3
149.13219	10.3
151.11235	8.4
153.08974	1.5
154.07735	3.9
155.06013	2.5
155.08530	5.1
156.09247	1.9
157.06479	3.2
157.10095	7.2
158.07266	7.9
158.10928	2.5
159.04340	1.9
159.08057	10.5
159.11668	58.6
160.05243	1.7
161.06004	8.4
161.09593	2.6
161.13234	10.8
162.10493	1.4
163.07518	3.2
163.11148	8.2
163.14784	3.7
165.09186	1.8
167.08498	1.5
169.10085	6.5
171.11674	5.3
172.05150	9.2
172.08823	3.1
172.12392	2.0
173.05943	5.7
173.09610	35.8
173.13228	37.1
174.06731	3.9
174.10054	1.8
175.07507	4.7
175.11160	6.3
175.14758	7.2
176.08296	11.5
177.05453	1.9
177.09018	6.6
177.12717	4.3
177.16434	1.6
187.07545	6.5
187.11156	26.1
187.14796	19.7
188.08299	2.3
189.05534	2.1
189.09085	4.1
189.12756	3.0
189.16351	20.8
190.06242	2.5
191.07021	4.0
191.10588	7.6
191.14331	4.7
191.17886	1.9
197.09561	3.3
197.13229	4.9
200.04643	2.3
201.05544	2.9
201.09109	2.6
205.08475	10.6
205.10521	1.4
205.12202	7.6
205.15807	4.7
215.07071	6.5
215.10658	20.0
215.14645	13.0
215.17923	100.0
216.18251	1.6
218.05693	3.8
218.09392	2.4
233.08025	29.1
233.11674	28.3
233.15392	37.4
233.18983	92.0
233.22862	32.3
234.08701	1.6
234.19215	2.4
251.09070	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01859	3.4
55.05509	10.4
57.03430	2.9
57.07080	7.4
59.05000	1.1
65.03914	3.4
67.05495	27.7
69.03415	4.3
69.07058	11.8
71.04981	6.1
71.08606	1.6
71.52956	1.4
74.06915	1.0
77.03915	1.2
79.05067	2.1
79.05485	31.4
81.03388	4.1
81.06588	2.1
81.07050	37.0
83.04961	10.9
83.08599	3.6
84.09238	1.0
85.06528	6.5
88.07597	1.4
91.05472	42.5
92.05802	1.2
93.07029	39.1
93.07626	1.9
95.04949	8.8
95.08600	33.1
97.02843	1.2
97.06525	10.4
97.10146	3.3
99.04442	3.9
99.08067	1.5
103.05438	3.7
105.07017	45.5
107.04955	5.3
107.08582	28.5
108.08842	1.5
109.02879	1.2
109.06496	12.0
109.10150	12.8
111.08055	4.8
115.05428	7.9
116.06211	4.1
117.06222	2.2
117.07002	36.4
119.04957	5.2
119.08568	36.4
121.06516	8.5
121.09316	1.8
121.10126	23.8
123.04430	2.1
123.08044	5.8
123.11671	6.6
125.09601	2.4
128.06221	4.3
129.07014	9.6
130.07787	6.2
131.04881	3.3
131.08551	63.3
132.08871	1.5
133.06454	3.6
133.10115	43.9
134.35277	1.2
135.04404	2.1
135.08018	9.4
135.11667	17.3
136.08888	1.0
137.06003	5.6
137.09593	5.0
137.13246	2.8
139.03888	1.4
139.07529	2.5
141.06981	1.9
143.08531	6.5
144.05673	6.7
144.06607	1.1
144.09317	3.8
145.06485	16.1
145.10106	52.7
146.10794	1.3
147.04358	1.2
147.08025	4.5
147.11665	22.5
149.05978	2.5
149.09581	10.1
149.13254	9.5
151.07541	2.2
151.11111	5.1
151.14862	1.1
153.06989	1.8
153.09053	2.6
154.07742	2.1
155.06006	2.1
155.08501	2.1
156.09323	1.3
157.06488	2.1
157.10118	7.2
158.07245	4.6
158.10803	2.6
159.08034	8.6
159.11678	46.2
160.05174	1.3
160.08797	1.3
160.11981	1.1
161.05930	6.2
161.09625	2.4
161.13251	7.7
162.06667	1.3
163.07541	1.6
163.11163	7.3
163.14777	1.7
169.10104	3.4
171.11639	5.2
172.05185	6.0
172.08858	3.0
172.12453	2.2
173.05998	5.0
173.09622	25.8
173.13234	36.9
174.06735	4.4
174.10088	1.6
175.03917	1.8
175.07491	4.5
175.11205	3.6
175.14828	7.5
176.08302	14.2
177.05443	1.7
177.09106	4.3
177.12704	3.8
177.16394	1.7
187.07535	4.7
187.11134	18.3
187.14781	18.1
188.08304	1.4
189.09077	3.2
189.12753	2.8
189.16357	22.3
190.06166	2.4
190.09760	2.1
191.07007	1.5
191.10664	7.4
191.14262	2.8
191.17921	1.8
197.09615	2.1
197.13297	2.9
200.04625	1.9
201.05449	3.1
201.09055	2.4
203.06990	2.9
203.10663	1.4
205.08513	8.6
205.12172	3.6
205.15866	3.8
205.19530	1.4
215.07050	4.3
215.10748	14.2
215.14639	13.0
215.17928	100.0
216.18225	2.5
218.05743	1.3
233.04469	1.5
233.08038	21.7
233.11649	22.8
233.15392	31.1
233.18976	84.8
233.22911	6.3
234.11931	1.4
234.15671	1.5
234.19112	1.8
251.09238	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0962
Annotation	Pyrenochaetic acid A
Peak:m/z	Relative Intensity
53.68280	0.3
57.07070	3.3
65.38602	0.3
67.05500	0.7
69.07075	0.5
71.13902	0.7
79.05482	0.4
81.07045	0.7
85.06529	0.3
91.05463	3.3
93.07048	0.7
95.04964	0.6
95.08610	0.8
103.05450	0.4
105.07024	3.1
107.04955	0.7
107.08578	0.7
109.06500	0.4
115.05431	0.7
116.06229	0.6
117.07014	0.6
118.07788	0.8
119.04915	0.4
119.08562	0.9
121.06485	2.3
121.10163	0.4
128.06203	1.9
129.06999	8.6
131.04897	1.3
131.08559	5.4
133.10103	1.9
135.08081	0.7
135.11632	0.4
137.09624	0.4
141.06985	0.6
142.07724	0.3
143.08514	0.4
144.05682	0.6
145.06487	1.2
146.07248	5.9
147.04337	0.3
147.07986	1.0
147.11673	0.4
149.05975	2.6
149.09570	0.4
151.07527	0.6
155.05980	0.3
157.06491	2.4
158.07300	1.7
159.04427	0.6
159.08041	3.0
159.11673	0.4
161.06050	0.6
161.09613	11.4
162.10036	0.3
165.09103	0.4
171.08034	0.6
174.05255	0.5
174.06757	8.6
175.07477	1.2
175.14787	0.3
176.08302	0.4
177.09081	0.8
179.10655	2.5
189.09091	100.0
190.09448	2.1
193.04805	0.3
194.11838	0.5
207.10089	2.3
217.08577	10.1
217.15723	0.6
217.19586	0.4
235.09628	40.3
235.16911	9.0
235.20438	0.5
236.09824	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1074
Annotation	5-methoxy-L-tryptophan
Peak:m/z	Relative Intensity
51.06879	0.8
55.01840	0.8
56.05003	1.1
57.05782	2.3
57.07070	8.1
58.06552	2.4
58.06846	0.8
67.05479	0.7
69.53737	4.7
72.62134	0.6
73.02884	0.9
82.77884	0.7
83.04916	0.8
85.02846	0.8
88.03979	6.1
91.05421	0.9
95.04910	0.8
95.08579	0.8
96.04479	26.8
98.97531	0.8
103.05447	1.4
105.52877	0.6
111.04335	0.7
115.05409	1.4
117.06957	0.7
121.06384	0.7
123.04370	1.1
127.03927	0.8
130.06508	74.6
132.04427	43.3
132.08054	2.1
134.05992	0.8
140.04868	1.5
142.04962	0.7
144.08038	3.0
145.07578	1.0
148.07550	7.3
154.06514	1.2
156.06793	2.4
157.07643	4.4
158.05992	68.2
159.06271	1.0
169.07671	1.1
171.09154	29.5
171.10606	1.6
172.09741	1.6
173.10728	1.9
175.07529	0.8
176.07036	2.5
179.10597	4.9
184.06328	1.1
186.05380	3.3
189.10205	100.0
190.10622	1.6
199.08656	3.7
202.07341	2.0
204.06535	3.2
217.09691	54.8
235.06006	1.5
235.10770	28.4
235.16893	18.4
241.97318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1325
Annotation	Strigolactone ABC-rings
Peak:m/z	Relative Intensity
55.01857	0.9
55.05491	1.3
57.07067	2.9
58.64896	0.6
67.05495	1.2
69.03413	0.6
69.07053	1.2
71.07629	1.2
72.21692	0.5
79.05468	2.0
81.07038	2.4
91.05463	3.1
93.07011	1.0
95.04969	0.6
95.08581	2.4
97.06472	0.7
103.05445	1.5
105.07015	8.3
107.04909	3.1
107.08561	1.9
109.06506	0.6
109.10139	1.1
115.04621	0.7
115.05415	4.0
116.06231	0.7
117.07038	2.7
119.08561	3.2
121.06501	1.1
121.10140	1.3
128.06216	16.9
129.07039	3.5
130.07765	0.9
131.04903	2.6
131.08585	0.8
132.05685	1.7
133.06476	22.2
133.10106	1.6
135.11671	0.9
141.06973	1.4
142.07759	3.6
143.08543	42.5
144.05725	0.6
144.09201	0.9
145.06464	7.4
145.10101	3.8
146.03603	1.3
146.07234	4.7
147.04431	2.7
147.08054	3.5
147.11658	1.8
152.06119	0.6
155.05989	0.7
157.06447	0.8
157.10086	2.6
159.04387	1.4
159.07976	2.4
160.05121	1.5
160.08818	5.9
161.05992	6.4
161.13252	1.1
167.07043	0.7
171.08035	27.4
173.05992	3.6
173.09639	1.4
174.06737	2.5
175.07588	2.6
175.11169	12.3
175.12523	0.4
177.05447	0.9
178.06255	3.4
179.10675	2.0
185.09521	1.0
188.08278	2.8
189.09047	2.3
189.16331	0.9
191.07022	3.3
192.07826	3.4
193.08554	4.5
203.10646	45.6
204.11279	1.7
205.08633	2.9
206.09357	5.4
207.10152	1.1
217.12173	0.6
217.15883	1.1
217.19336	0.6
220.10889	3.5
235.13258	100.0
235.16687	8.0
236.13596	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1326
Annotation	Pterosin N
Peak:m/z	Relative Intensity
50.37154	0.4
51.45541	0.6
53.03936	0.5
55.05485	1.1
57.07076	4.2
59.04996	0.5
65.98071	0.5
67.05479	0.8
69.07053	1.3
70.59075	0.4
70.97593	1.4
71.04965	0.7
78.09607	0.5
79.05482	3.1
81.07056	2.8
91.05453	2.8
93.07029	2.1
95.04950	1.1
95.08570	2.0
99.04420	0.5
105.07008	2.9
107.08566	2.0
109.10144	1.0
115.05454	2.5
117.07011	2.3
119.08550	3.0
121.06508	1.1
121.10104	1.1
123.04441	1.1
123.08052	0.9
123.11673	0.5
128.06200	1.6
129.07008	3.1
131.04900	1.2
131.08545	2.1
133.06451	1.0
133.10086	2.0
135.08035	0.7
137.05965	1.3
138.06706	2.2
139.07483	0.6
141.06935	1.7
142.07782	2.5
143.04909	1.5
143.08540	5.5
144.05679	2.1
145.06476	5.7
145.10167	1.1
146.07236	1.1
147.04407	0.6
147.08040	1.4
147.11679	1.6
149.09668	0.9
151.07553	6.0
155.06087	0.9
155.08537	1.2
156.05670	0.5
156.09395	0.6
157.06467	1.9
157.10097	2.1
158.07265	3.7
159.04384	1.3
159.08040	14.3
159.11653	1.0
160.08806	1.8
161.05969	3.6
161.09578	1.3
161.13243	0.8
162.06705	0.6
163.07492	0.8
165.09070	1.1
169.06483	0.6
170.07260	1.1
171.08038	12.6
171.11716	0.5
172.08817	1.7
173.05975	7.9
173.09595	4.6
174.06728	6.2
174.10381	4.6
175.07491	4.2
175.11121	0.9
175.14798	1.4
176.08337	2.6
177.09058	1.7
177.12660	0.5
179.06992	0.6
179.10686	2.5
185.09590	2.8
186.10379	26.4
187.07516	19.3
187.11073	0.8
188.08302	28.8
189.09081	16.1
189.16322	1.5
190.09846	2.2
191.10625	4.9
199.14668	0.6
202.09865	43.0
203.10503	1.1
205.12224	7.7
217.12213	100.0
218.12552	2.0
235.05852	0.6
235.09587	1.0
235.13257	8.4
235.16875	12.9
235.20503	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1327
Annotation	Dehydrooreadone
Peak:m/z	Relative Intensity
53.03934	0.7
55.01851	1.2
55.05492	2.8
56.30330	0.6
57.07072	18.5
59.04992	1.1
65.03928	1.2
66.19973	0.6
67.05499	4.7
67.64537	0.6
69.03409	1.9
69.07059	4.4
69.87850	3.5
71.04974	2.3
74.50249	0.6
79.05087	0.6
79.05492	4.3
81.03399	2.4
81.07053	7.3
83.04971	1.6
83.08585	1.5
85.06498	0.7
91.05470	6.7
93.07035	5.6
95.04951	2.1
95.08606	6.5
97.06503	1.9
98.20846	1.1
99.04462	2.2
103.05460	2.2
105.07022	15.7
107.04981	4.0
107.08589	7.7
109.06493	2.9
109.10162	3.5
111.08066	1.1
115.05445	5.0
116.06240	0.6
117.07018	5.6
118.04193	0.8
119.04965	1.4
119.08581	9.6
121.06479	2.4
121.10139	4.7
123.04427	1.1
123.08030	2.3
123.11755	0.8
125.09608	1.1
127.05428	0.7
128.06212	17.7
129.07010	4.6
130.07796	0.9
131.04909	4.1
131.08545	3.8
132.05661	1.7
133.05478	1.2
133.06485	24.6
133.10112	6.9
135.08026	1.6
135.11684	2.5
137.05936	1.5
137.09601	1.8
139.07454	0.6
141.06993	1.7
142.07774	4.9
143.04936	0.9
143.06065	1.2
143.08551	38.9
144.05736	0.7
144.09300	1.4
145.06461	9.2
145.10109	4.2
146.03581	0.8
146.07292	4.9
147.04399	4.2
147.08057	6.2
147.11667	5.5
149.09612	1.6
149.13229	0.9
151.03854	1.1
151.07562	3.9
155.04793	0.7
155.05974	1.5
156.05609	1.1
157.06461	1.7
157.10110	5.2
159.04410	2.1
159.08026	3.1
159.11702	3.6
160.05176	2.2
160.08826	7.7
161.05962	6.8
161.09567	2.5
161.13219	2.0
163.07539	1.7
163.11171	0.7
165.05432	1.5
165.09111	2.0
167.07077	1.7
171.08040	28.9
172.08499	0.9
173.05939	6.3
173.09592	1.3
173.13220	1.8
174.06766	3.9
174.13739	0.7
175.07558	6.1
175.11182	15.3
175.14769	3.6
177.05431	0.9
177.09123	1.4
177.12717	1.9
178.06255	3.6
179.08443	0.9
179.08995	1.1
179.10655	13.7
185.09560	1.0
185.46289	0.8
186.10420	1.7
187.07581	3.5
188.08302	5.8
189.05443	0.8
189.09068	10.1
189.12735	0.8
189.16321	3.0
190.06302	1.3
191.07025	4.4
192.07765	2.9
192.09308	0.9
193.08588	5.5
193.15939	0.8
199.14806	2.4
202.09842	4.0
203.10649	43.4
204.11179	1.6
205.08502	3.3
206.09320	5.0
207.10112	1.3
217.08574	1.8
217.12265	7.2
217.15796	4.3
217.19412	1.4
220.10860	4.2
235.05925	2.9
235.09474	3.8
235.13260	100.0
235.16913	51.8
235.20641	1.7
236.13591	1.9
236.17177	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1326
Annotation	Encecalinol
Peak:m/z	Relative Intensity
50.47184	0.4
55.01866	0.6
55.05502	1.2
56.96547	1.5
57.07069	8.9
59.05007	2.0
60.91166	0.3
63.52947	0.4
66.08051	0.3
66.98346	0.3
67.05483	1.8
69.07066	2.8
69.80853	1.7
69.81267	0.9
71.04972	0.5
73.13682	0.4
79.05472	1.7
81.07055	2.7
83.04968	0.4
83.08607	0.5
85.06545	0.5
91.05470	3.2
93.07050	2.3
95.04955	1.2
95.08619	2.4
97.06480	0.6
98.21454	0.6
105.07005	3.9
106.04164	0.4
107.04955	4.1
107.08572	2.2
108.05729	2.3
109.06503	1.4
109.10135	1.1
115.05405	0.4
117.07062	0.5
119.08567	2.8
121.06474	1.9
121.10141	1.3
123.04433	1.1
123.07993	0.8
129.06973	1.0
131.08545	1.6
133.06482	0.8
133.10124	2.3
134.07359	0.5
135.04398	0.9
135.08055	1.3
135.11659	1.2
136.05186	3.1
137.05949	0.7
137.09621	0.6
139.07629	0.7
143.08556	1.2
144.05692	1.3
145.06435	1.3
145.10100	0.6
146.07248	0.8
147.04370	0.5
147.08017	1.6
147.11642	1.6
149.06012	0.8
149.09587	0.4
149.13205	0.7
150.06743	1.9
151.07524	100.0
152.07878	1.8
157.06444	0.7
157.10104	1.2
158.07281	0.5
159.08054	2.9
159.11697	0.7
160.08815	7.1
161.05966	4.2
161.09569	1.5
161.13231	0.9
162.06712	2.3
165.05457	1.3
165.09108	10.0
170.07303	0.4
171.08041	1.8
172.08795	0.6
173.03621	0.6
173.09587	0.7
173.13191	0.5
174.06770	0.8
174.10329	0.6
174.52934	0.8
175.07516	1.3
175.11110	0.9
175.14784	1.8
176.08311	15.5
177.09088	1.8
178.09857	1.7
179.06946	2.1
179.10631	5.5
182.04076	1.2
185.09587	0.8
186.10362	5.5
187.07521	4.5
188.05873	0.5
188.08257	1.5
189.09064	3.8
189.16409	0.6
189.55316	0.7
190.56186	0.5
191.10643	18.4
193.08594	2.1
199.14755	0.5
202.09869	13.9
203.17966	0.5
204.11388	0.9
205.12242	0.9
206.09396	0.6
207.13824	1.2
217.12210	25.6
217.15782	1.5
235.09447	1.8
235.13264	73.1
235.16821	21.6
235.20657	1.1
236.13327	1.6
236.17278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1328
Annotation	Pterosin N
Peak:m/z	Relative Intensity
55.05503	2.2
57.07074	22.8
59.04985	3.0
65.03950	1.6
67.05492	5.8
67.63301	0.7
69.03423	1.3
69.07069	5.0
69.20585	8.9
71.04970	2.3
72.21402	0.8
79.05481	5.0
79.06799	0.8
81.07056	8.5
83.04973	1.5
83.08611	1.7
85.06521	2.5
91.05451	5.2
93.07043	8.1
95.04980	2.1
95.08613	8.7
97.06520	1.7
97.10109	1.0
98.21468	1.5
99.08096	1.0
105.07021	6.1
106.55518	0.8
107.04944	3.3
107.08581	6.5
108.05731	3.0
109.06513	2.4
109.10143	5.1
111.08089	1.3
113.09689	1.0
117.07021	1.5
119.08578	7.0
121.06494	3.1
121.10136	4.6
123.04408	2.3
123.08005	2.2
123.11698	1.8
129.07033	1.1
131.08551	2.0
133.06482	1.2
133.10110	6.6
135.04333	1.3
135.08064	1.7
135.11658	3.3
136.05190	2.4
137.06003	0.9
137.09624	1.5
139.11116	1.1
143.08582	3.4
144.05638	1.2
144.09348	1.0
145.06448	1.4
145.10106	2.0
147.08018	2.6
147.11652	4.0
149.09628	1.3
150.06757	1.3
151.07535	100.0
152.07896	1.3
157.10120	2.8
159.07991	3.0
159.11665	3.1
160.08842	8.0
161.05917	4.4
161.09593	2.5
161.13235	2.3
162.06764	2.9
165.05444	4.1
165.09117	8.5
171.08127	1.4
171.11687	1.5
173.05943	1.0
174.06717	1.4
174.10399	0.8
175.07483	1.2
175.11163	2.7
175.14798	4.4
176.08304	14.5
177.09016	2.6
178.06227	1.0
179.07059	2.5
179.10641	13.9
185.09575	1.1
186.10384	6.6
187.07538	4.8
188.08369	1.9
189.09085	5.3
189.12730	0.9
189.16394	1.8
191.10635	19.6
193.08511	1.1
198.07898	0.9
199.14867	1.9
202.09892	13.9
207.13766	1.7
217.08873	1.2
217.12234	27.7
217.15849	3.5
217.19487	2.4
235.05937	2.1
235.09465	2.6
235.13268	78.6
235.16927	56.0
235.20332	5.0
236.13589	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.169
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03916	1.6
55.05505	12.2
57.03411	1.7
57.07076	16.2
59.04991	3.4
65.03934	1.8
67.05502	18.4
68.99152	1.4
69.03413	4.6
69.07060	13.5
69.43851	13.1
71.04987	25.7
73.06535	1.7
79.05483	14.8
81.06586	2.1
81.07047	27.3
83.04955	4.0
83.08583	6.1
85.06557	2.8
89.06018	6.5
91.05472	19.6
93.07036	31.2
94.07384	2.2
95.04963	11.8
95.08605	27.5
97.06500	4.5
97.10120	2.2
103.05450	3.0
105.07016	40.3
107.04926	2.3
107.07871	3.2
107.08584	58.9
109.06498	9.4
109.10147	36.3
111.08083	13.2
115.05458	5.2
117.07022	5.4
119.07689	2.3
119.08569	42.0
121.06485	5.6
121.10133	22.5
123.04430	2.0
123.08055	6.1
123.11741	2.4
125.09631	27.7
127.07516	2.8
128.06255	1.9
129.06950	4.0
131.08549	16.9
133.06511	1.8
133.09117	2.1
133.10120	32.4
135.08037	4.2
135.11684	21.1
137.05995	1.7
137.09583	4.0
139.03864	1.7
139.07518	2.7
143.08574	4.8
145.06458	5.2
145.10120	18.3
147.08063	7.8
147.11673	64.3
149.09583	6.8
149.13239	5.9
151.07541	1.8
153.12724	3.9
157.10080	9.3
159.11705	10.9
160.05185	1.7
161.05956	2.1
161.09590	9.8
161.13274	8.0
163.11156	5.3
165.09064	2.3
165.12740	8.1
171.11580	1.6
173.05956	3.1
173.13237	6.4
175.07513	6.7
175.11145	7.0
175.14767	12.8
177.12732	3.5
179.10666	15.0
187.07590	2.1
189.09061	2.2
189.12703	2.1
189.16368	37.9
193.12234	4.2
193.15898	4.1
199.14807	6.6
207.10066	2.8
217.08540	3.6
217.12424	3.2
217.15848	36.2
235.05830	2.0
235.09573	8.9
235.16904	100.0
236.17195	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	235.2054
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
52.13351	1.0
53.03937	2.8
55.01859	4.0
55.05505	22.7
57.03433	3.8
57.07069	63.7
59.05001	1.6
61.10149	1.0
65.03934	2.3
67.05498	54.0
69.07064	23.5
69.07428	0.9
69.75427	4.0
69.75845	3.8
71.04980	4.7
71.08629	7.6
73.06557	1.4
79.05487	32.7
81.03384	1.1
81.07047	68.2
83.04974	7.3
83.08615	9.8
85.06541	6.2
85.10165	4.8
85.26702	1.2
91.05470	41.6
93.07036	48.3
95.04954	6.7
95.08596	70.2
97.06538	10.1
97.10178	6.1
97.37183	1.0
97.77368	1.1
98.21346	1.7
99.08067	7.2
105.07021	34.2
107.08578	34.2
109.06506	6.4
109.10144	27.0
111.08092	4.0
111.11694	2.7
113.09634	5.7
116.78174	1.1
117.06989	2.2
119.08567	40.7
121.10123	37.1
123.04419	3.4
123.08055	12.4
123.11693	15.1
125.09621	2.9
131.08609	2.3
133.10117	48.9
135.11685	28.1
137.09604	10.4
137.13231	8.1
139.11177	2.2
145.10063	2.3
147.11671	29.5
148.05339	1.1
149.13235	12.6
151.07451	2.3
151.11163	9.2
151.14799	4.1
153.12769	1.5
159.11687	2.2
161.13237	25.0
163.14806	5.0
165.12744	3.2
175.14798	13.1
177.16347	5.9
179.10660	26.4
179.14253	1.5
189.09108	2.1
189.16365	5.9
191.17912	9.2
207.13815	1.6
217.19485	89.3
218.19809	1.3
235.16931	100.0
235.20567	76.9
235.30798	1.4
236.17268	3.1
236.20947	1.7
241.02737	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0867
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
55.01865	0.7
55.05499	1.0
57.07052	1.4
65.03934	0.7
67.05498	1.6
69.03420	0.7
69.07053	2.4
70.06556	0.7
71.04996	1.3
71.52170	0.7
74.02425	3.7
75.03213	0.6
79.05486	1.6
80.05004	0.8
81.03422	1.0
81.07033	1.8
83.04957	1.4
85.02922	0.8
85.06580	0.6
88.27250	0.6
91.05453	4.2
92.04996	1.0
93.07034	2.4
94.06042	0.5
94.06564	4.2
95.04974	1.6
95.08601	2.5
97.06541	0.9
99.00821	0.7
99.08044	0.6
103.05448	1.2
104.04979	1.3
105.07024	1.0
107.08609	2.2
108.04449	0.7
109.06429	0.6
109.10196	1.2
110.06045	1.5
111.08138	0.6
115.05462	1.1
117.07002	1.5
118.06528	8.8
119.04928	0.7
119.08525	0.7
120.04479	3.1
120.08114	1.4
121.02888	1.7
121.10148	1.5
122.06051	0.9
123.08032	0.7
128.04951	5.5
128.05843	0.8
130.06512	8.5
131.04895	1.6
131.08530	0.8
132.04451	2.0
133.05200	1.4
135.04358	0.7
135.08080	0.8
135.11716	0.6
136.07578	7.9
137.05959	1.4
144.00728	0.5
145.06465	1.5
145.07564	1.2
146.06001	100.0
147.04445	0.8
147.06358	1.6
148.03923	14.8
148.05116	0.9
148.07576	0.6
150.05519	1.7
153.05502	0.9
157.07608	6.7
158.06039	1.2
159.09177	1.8
163.02087	0.6
163.03867	1.4
163.07475	1.3
163.08727	0.8
164.07033	2.8
166.08638	0.9
167.07034	0.8
173.05824	0.9
173.07153	4.3
174.05492	14.3
174.07822	1.0
175.06033	0.7
175.08699	0.7
176.06973	1.1
177.05403	1.1
177.09097	2.2
178.04964	1.6
181.08546	0.9
185.07033	0.6
191.08220	16.6
191.10593	0.7
192.06525	5.3
195.05138	0.7
202.04987	3.6
202.08469	0.7
203.08208	4.7
204.08975	0.7
219.06552	2.6
220.06096	4.2
237.03941	0.8
237.09039	6.8
237.12807	0.8
237.14836	0.8
237.18582	0.8
237.22113	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1846
Annotation	Godotol A
Peak:m/z	Relative Intensity
55.05486	9.0
57.03426	3.1
57.07056	3.9
57.15775	2.6
64.28842	2.4
67.05499	16.3
69.07081	14.8
70.78728	6.0
71.04980	19.3
79.05463	10.1
81.07039	25.9
83.04959	5.8
83.08603	6.1
85.06534	100.0
91.05441	13.0
93.07034	27.2
95.08594	25.3
96.08949	2.6
97.06520	7.7
97.10153	3.4
99.04453	15.1
99.08057	2.7
101.96146	2.5
105.07001	28.9
107.08579	29.7
109.06482	3.1
109.10134	54.8
111.08054	6.8
113.05991	41.4
113.09650	5.1
117.06989	3.5
119.08568	29.1
121.10141	27.0
123.08025	3.9
123.11684	11.5
125.09558	3.4
131.08508	12.7
133.10144	17.4
135.11725	17.8
137.09633	4.2
145.10083	16.6
147.11642	10.3
149.09612	6.4
149.13242	7.0
159.11668	24.6
161.13228	40.3
163.11156	7.1
163.14835	3.0
165.05449	3.6
165.09103	5.5
173.13254	5.1
175.14806	12.2
177.12698	3.8
177.16335	12.2
179.14307	9.0
181.08551	3.3
191.17886	9.0
201.16347	26.2
209.06018	3.9
212.72736	2.5
219.17430	31.7
237.18436	42.2
237.22050	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	237.1845
Annotation	(-)-Tremediol
Peak:m/z	Relative Intensity
53.03933	4.7
55.05512	18.0
57.03417	3.6
57.07052	7.9
59.04987	4.4
67.05499	19.8
69.03410	10.4
69.07067	17.3
70.77447	4.8
70.77823	5.2
71.04992	34.9
71.08575	2.3
73.73544	2.0
79.05489	21.7
81.03405	2.5
81.07052	59.4
83.04960	9.7
83.08611	7.1
85.06519	7.8
91.05474	36.6
93.07039	69.4
95.04960	10.2
95.08596	50.4
97.06528	5.1
97.10162	4.4
99.04442	3.4
99.08100	15.9
105.07022	99.9
107.04955	6.5
107.08591	38.0
109.06503	13.8
109.10157	30.0
111.08096	4.3
113.09638	5.0
117.07004	10.2
119.08571	24.8
121.10152	26.6
123.08067	9.1
123.11687	16.9
125.09618	11.5
127.07527	4.0
127.11201	16.8
131.08545	19.7
132.89064	3.0
133.10118	100.0
135.08076	4.4
135.11681	21.7
137.09589	10.9
139.11150	5.9
143.10722	3.8
145.10118	20.6
147.11687	20.7
149.09599	6.5
149.13268	8.2
151.07576	3.0
151.11171	72.2
155.10651	3.7
159.08110	4.5
159.11716	16.3
161.13297	11.1
163.07611	3.7
163.11249	6.2
167.10646	2.6
173.13275	18.1
175.14836	2.7
177.12743	5.2
177.16399	2.7
187.07423	3.2
191.06973	5.3
191.14265	5.6
191.17921	4.7
201.16318	24.0
201.17706	2.4
217.07300	2.8
219.10228	5.0
219.13928	6.2
219.17410	55.5
222.06726	3.2
237.09123	7.8
237.11165	3.3
237.14766	6.8
237.18488	84.7
237.22044	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	237.1847
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03931	3.7
55.01854	4.1
55.05511	16.6
57.07072	8.2
58.98328	1.2
59.04752	1.6
59.04996	21.2
60.69532	1.3
65.03924	1.5
66.33773	1.3
66.96647	1.3
67.05172	2.2
67.05500	22.7
69.03410	6.1
69.07058	15.7
70.31985	4.7
71.04980	6.4
79.05485	18.5
81.07050	61.2
83.04967	3.9
83.08627	7.5
85.06542	7.4
87.04455	6.2
91.05471	14.0
93.07036	36.4
93.07625	1.9
95.04953	6.1
95.08599	55.8
97.06519	9.7
97.10155	5.0
98.21420	1.9
99.08076	3.8
103.05479	1.9
105.03376	1.6
105.07026	29.1
107.04932	3.7
107.08584	44.1
109.06516	9.0
109.10146	30.2
111.08076	6.2
113.09667	1.6
115.07565	2.8
117.06993	6.2
119.08575	24.7
120.39343	1.2
121.06479	5.2
121.10131	24.3
123.08051	7.3
123.11702	11.0
125.09629	8.4
127.11161	2.3
129.06955	1.9
131.04874	3.3
131.08559	11.0
133.06424	1.8
133.10095	13.5
135.08047	5.6
135.10683	2.7
135.11681	39.9
137.05956	3.7
137.09604	6.2
138.06699	3.6
139.11182	3.8
143.10608	2.8
145.06564	1.7
145.10112	21.8
146.07240	2.2
147.08047	2.0
147.11696	7.5
149.06044	1.7
149.09590	3.6
149.13229	7.7
151.03877	7.7
151.07523	3.4
151.11137	8.9
153.09132	2.6
159.11679	19.7
159.12880	2.0
161.13242	19.6
162.06738	1.5
163.07521	2.3
163.11171	5.5
163.14810	4.8
165.05447	6.2
166.06258	17.5
167.10674	3.3
169.12244	7.5
173.13263	7.7
175.07486	1.4
175.14780	3.8
177.05417	1.6
177.09114	5.2
177.12767	2.2
177.16402	3.6
179.14304	3.8
181.08585	100.0
182.08971	3.3
189.16353	4.5
191.07037	3.5
191.10632	2.7
191.17972	6.9
195.11638	1.6
201.16365	20.9
207.17371	2.5
209.11636	1.9
219.10126	2.9
219.13931	2.9
219.17404	28.6
237.07356	2.4
237.11189	4.5
237.14674	3.3
237.18489	65.1
237.22160	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	237.1846
Annotation	Godotol A
Peak:m/z	Relative Intensity
55.01878	4.7
55.05502	23.1
56.96557	3.0
57.03429	8.6
57.07072	9.9
59.04994	32.0
65.46784	2.4
66.44617	2.4
67.05498	29.2
69.03416	18.6
69.07063	30.3
71.04983	29.0
71.08630	2.5
71.52657	5.0
79.05489	25.4
81.03385	4.6
81.07050	100.0
83.04966	10.5
83.08611	11.1
85.02917	6.1
85.06523	7.4
87.04466	12.3
91.05480	23.8
93.07034	47.9
95.04983	8.7
95.08597	51.1
95.12178	2.6
97.02872	4.4
97.06508	16.5
97.10155	7.3
98.97552	3.1
99.08096	10.3
103.05444	3.1
105.07022	47.6
107.08586	61.9
109.06539	17.6
109.10139	40.3
111.08063	11.0
115.05425	4.7
115.07569	4.0
117.06955	5.8
119.08553	35.2
121.06527	5.6
121.10130	37.9
123.08057	9.4
123.11692	24.1
125.09619	10.6
127.07523	4.5
127.11179	32.3
131.04944	3.1
131.08528	19.3
133.10121	35.6
135.08075	7.3
135.11671	61.7
137.09639	4.3
137.13257	7.7
139.11214	7.1
143.10709	6.4
145.10110	31.2
147.11661	14.7
149.09586	5.7
149.13240	8.4
151.11165	47.8
153.12758	3.0
155.10635	14.2
159.08002	3.5
159.11682	31.3
161.05933	4.9
161.09683	5.7
161.13243	31.7
163.07567	4.9
163.11174	8.2
163.14818	8.1
167.10660	4.9
173.09587	3.8
173.13255	6.2
175.14819	6.0
177.05559	2.8
177.12708	5.8
177.16399	6.8
179.14276	8.3
189.08994	3.1
189.16391	5.3
191.07002	18.3
191.14322	4.1
191.17889	11.3
193.15894	4.1
193.74081	2.8
194.07196	5.6
201.16371	20.8
212.87651	2.9
219.10144	9.6
219.13750	7.9
219.17412	40.5
228.10088	5.1
237.07245	4.5
237.09167	7.2
237.11185	3.1
237.14813	6.1
237.18462	76.1
237.22060	5.2
251.23143	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	238.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01858	1.4
55.05497	0.9
56.96562	25.8
57.03422	3.2
58.99842	2.5
59.56846	0.7
61.02930	4.6
65.03904	0.7
67.05489	3.0
68.98274	1.8
69.03407	2.9
70.06567	0.8
71.28152	1.5
73.02888	1.4
77.00897	2.6
79.05479	2.4
81.03396	1.2
81.07038	0.8
83.04974	1.0
84.96027	1.0
85.02881	3.0
86.06048	0.8
86.99310	2.6
87.04422	0.8
89.03908	11.5
90.04240	1.1
95.01939	1.5
95.04945	2.3
97.02872	2.0
98.97594	3.8
100.02482	3.7
101.00866	5.1
103.02422	1.9
104.10732	0.7
105.00336	2.0
106.02830	0.7
107.04932	3.1
111.04383	1.2
115.02431	4.1
116.98590	1.3
117.03351	9.2
117.04030	1.2
118.03503	2.3
119.00703	1.3
119.01913	17.0
119.44706	0.6
120.02007	1.0
123.01242	1.2
123.02921	0.8
124.99078	3.7
125.01745	0.9
126.98733	0.7
127.02383	2.4
127.03859	1.2
128.01224	3.0
128.02116	0.7
128.98643	0.7
129.03949	2.3
131.01900	4.7
133.03445	4.7
134.99593	1.2
135.03394	1.2
135.04381	19.3
136.04732	1.8
137.01744	2.1
137.02917	2.4
137.05905	0.8
141.02164	1.6
142.03467	1.2
143.00160	10.4
143.01874	1.7
144.99796	2.3
145.02696	6.8
145.03465	13.6
146.03415	1.0
147.04967	1.9
148.07524	0.8
149.01152	0.8
149.04732	0.7
152.98457	1.1
153.03932	0.8
155.10051	0.7
156.05133	0.8
157.03447	2.5
159.03230	1.5
159.05008	2.7
161.01205	9.8
161.02876	2.8
161.06543	1.2
163.03879	100.0
164.04253	7.5
166.08586	1.2
168.05034	2.9
168.99855	1.4
169.01714	3.3
169.03436	6.1
170.02913	0.7
170.99632	4.0
171.01196	1.3
171.05031	5.7
172.99300	0.8
173.02910	1.8
174.02525	1.8
175.04498	1.3
177.02432	0.7
179.02107	2.1
183.01395	0.8
183.03142	1.0
184.04523	0.8
185.01204	4.5
185.02808	1.3
187.00836	3.8
187.02751	5.9
187.04494	14.9
188.02301	2.1
189.00685	6.8
189.02275	1.1
189.06067	2.7
191.02362	0.8
192.06563	2.8
194.06647	0.7
194.99579	0.8
197.01108	1.2
197.02805	5.7
201.02417	2.5
203.02275	4.4
205.00156	1.0
205.01936	1.2
205.03787	1.5
206.03351	1.6
207.01778	1.3
210.06097	2.2
213.00726	3.9
215.00410	3.8
215.02051	1.2
215.03917	10.9
215.05850	1.4
221.03212	1.1
224.04173	1.3
231.01750	20.1
232.02103	1.4
232.99644	1.1
233.01590	1.0
233.05072	20.6
237.00565	3.5
238.05516	3.1
238.07347	2.2
238.10820	1.0
249.02815	24.4
250.03148	1.9
251.02530	3.3
254.03288	1.2
255.01665	1.9
256.02902	1.3
256.06766	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	238.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
56.05010	1.8
57.07062	2.1
67.05453	1.5
68.24867	1.4
71.52644	2.5
71.53005	1.8
75.33891	1.5
81.44195	1.4
83.04961	2.2
84.04478	1.5
84.83924	1.5
91.05466	4.8
92.72247	1.4
93.07076	2.1
93.59554	1.4
103.05456	1.6
105.07012	5.1
107.04890	2.0
108.15616	1.4
111.04430	1.6
112.04758	2.2
117.06994	2.3
119.08535	1.5
121.06509	8.6
124.07581	5.1
128.89970	1.5
131.04907	3.7
131.07294	3.2
133.06439	2.6
134.09615	1.9
135.08040	6.1
136.08447	1.6
137.05940	3.1
138.06725	3.9
145.06503	2.0
146.06061	2.6
146.07246	9.9
146.09651	4.1
147.06784	11.1
148.07529	4.2
149.09564	1.5
150.09117	1.9
151.07552	6.2
160.07501	1.5
161.08340	2.5
162.06787	5.1
162.09105	19.9
163.07491	3.4
163.09869	4.6
164.07001	2.1
164.08284	3.1
164.10692	3.4
165.05458	4.0
165.09108	6.1
169.05647	1.6
172.08820	3.0
173.05975	1.8
174.09152	9.2
177.09097	17.3
178.08507	1.8
178.12331	4.7
179.09393	18.3
179.10733	3.8
188.08339	5.4
189.09207	1.8
189.11458	8.5
190.08556	3.1
192.11008	3.9
193.08627	4.7
194.11749	100.0
195.10150	8.0
195.11633	1.6
196.10474	7.8
196.12170	2.5
200.98361	1.7
203.10699	14.4
204.10129	2.3
205.11012	2.4
206.11777	5.6
210.12061	10.5
220.10388	1.9
220.10950	2.1
220.13304	26.0
221.08128	3.5
221.11684	16.0
238.11760	2.6
238.14355	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	238.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.4
56.05035	2.8
56.05418	0.3
58.06591	5.5
58.33409	0.4
60.04500	0.5
70.91517	0.8
79.05463	0.8
80.06252	0.8
89.05618	0.4
91.05460	2.5
105.03401	0.6
105.07010	0.9
107.04929	5.8
108.05734	2.5
110.10499	0.4
121.06485	2.7
131.04919	0.5
135.04391	1.0
136.05157	1.2
137.05925	0.6
138.05472	0.4
146.07239	1.8
149.05957	1.2
150.06752	0.8
150.09108	0.7
151.07521	100.0
152.07883	1.6
164.08282	0.6
165.09131	2.3
166.09435	0.4
177.09074	7.0
179.10632	3.6
181.08585	1.3
189.11382	0.5
194.11743	0.4
203.10638	0.5
220.13313	1.9
221.11676	0.8
238.10709	0.7
238.14372	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	239.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05390	1.1
53.03934	1.5
53.75134	1.0
55.01866	8.3
55.05500	13.7
57.03433	13.9
57.07074	5.9
59.04985	2.5
65.03924	1.7
67.05499	17.6
69.03419	4.7
69.06714	1.4
69.07062	15.1
71.05000	6.2
71.06392	2.3
71.06724	1.1
71.08630	1.3
73.02894	3.7
75.04477	6.8
76.73799	1.2
79.05486	13.8
81.03370	1.4
81.07048	28.8
83.04974	10.3
83.08617	6.5
85.02886	5.0
85.06534	7.1
89.06003	1.9
91.05476	9.4
93.07037	12.4
95.04961	7.8
95.08601	30.7
97.06514	7.3
97.09546	1.3
97.10165	4.0
99.04446	2.6
99.08079	3.7
101.02376	7.7
103.05471	5.6
104.06242	9.5
105.07024	61.3
107.04954	14.7
107.08585	12.2
109.06527	7.6
109.10153	17.0
111.04430	14.6
111.08062	4.7
111.11729	1.8
113.05958	1.3
113.09598	1.7
115.05454	2.4
115.07575	1.1
117.07016	2.1
118.39489	1.2
119.08574	15.9
121.06517	2.7
121.10139	9.5
122.03624	3.7
123.04430	1.7
123.08062	7.9
123.11021	0.9
123.11694	8.5
125.05930	1.7
125.09595	5.8
127.11259	1.3
129.05493	2.0
131.04942	7.7
131.08437	1.7
132.05725	10.9
133.06485	65.6
133.10069	8.7
135.04410	4.9
135.07999	3.8
135.11703	7.0
137.05965	35.4
137.09618	6.6
137.13222	7.2
139.07552	2.9
139.11102	3.0
143.08543	2.2
145.10104	3.3
147.07988	2.3
147.11688	6.9
149.05971	4.8
149.09619	1.7
149.13239	2.1
150.06750	100.0
151.07434	2.5
151.11121	2.5
153.09042	2.2
154.06226	1.2
155.10629	1.7
157.10170	1.2
159.11639	2.2
161.05911	1.3
161.09587	2.3
161.13260	9.1
162.06758	2.7
163.07510	11.3
163.11304	1.3
163.14853	7.1
164.08318	4.0
165.05492	9.6
165.06862	2.9
165.09103	66.0
167.10738	1.5
168.05623	1.6
168.09244	1.3
169.10139	1.7
175.11282	1.4
175.14824	4.1
177.09106	2.4
177.16376	1.4
179.06972	1.5
179.10663	3.2
179.14281	4.8
181.15799	1.6
183.11691	2.1
185.13188	1.8
191.10666	1.6
193.06558	1.5
193.15842	2.7
197.08000	2.5
203.10643	2.8
203.14331	4.3
203.17953	7.5
206.09290	1.4
211.07559	2.6
211.14745	1.3
221.11670	1.5
221.15378	8.4
221.18851	5.6
239.07176	5.3
239.08813	2.2
239.10687	3.3
239.14162	1.1
239.16209	11.6
239.20006	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	239.1638
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03935	2.3
55.01851	5.8
55.05500	13.4
56.33184	1.5
57.03422	3.4
57.07061	1.9
63.46388	1.5
63.71220	1.2
65.03922	1.6
67.05490	16.8
69.03406	5.7
69.07070	6.5
70.72855	4.1
71.04996	9.9
79.05481	21.1
81.03404	2.7
81.07043	30.3
83.04967	37.2
83.08602	2.2
85.06522	4.9
91.05466	28.1
93.07028	29.4
95.04946	5.9
95.08592	22.2
97.06518	9.8
101.06008	24.8
105.07013	59.9
107.04936	3.4
107.08575	31.0
109.06488	13.3
109.10141	15.1
111.08039	2.5
113.05961	2.9
115.07539	2.7
117.05560	1.6
117.07001	12.7
119.08562	42.6
121.06493	2.4
121.10129	18.5
123.08055	3.3
123.11669	5.1
125.09579	1.7
127.07526	3.6
128.06215	3.5
129.06979	12.7
130.07759	3.2
131.08536	19.4
133.06462	3.6
133.10110	32.8
135.08023	2.8
135.11685	7.4
137.05928	2.8
137.09586	1.4
141.06990	2.2
142.07777	5.5
143.08546	18.7
144.09299	5.2
145.10103	32.5
147.08017	1.9
147.11674	28.7
149.09593	5.1
149.13239	2.8
155.08517	2.2
157.10072	14.3
159.10431	2.3
159.11667	23.2
160.78481	1.5
161.09573	3.9
161.13231	4.5
163.11197	7.3
165.09109	3.8
165.12717	4.6
167.10634	6.3
170.10924	2.5
173.13252	12.1
175.11156	4.9
175.14766	11.5
177.12738	3.9
181.12193	26.1
185.13222	25.4
191.14314	4.3
193.15810	2.2
203.14255	15.7
221.15329	39.0
223.71524	1.3
239.16380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2003
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05510	28.9
57.03435	5.5
57.07073	25.7
59.04991	30.6
67.05495	27.5
69.03448	3.5
69.07065	43.3
71.04975	11.6
71.08620	4.2
71.52312	6.0
79.05478	13.2
81.03181	2.5
81.07049	86.5
81.07529	4.9
81.41633	2.5
83.04966	6.4
83.08610	34.0
85.06529	19.7
89.06015	2.9
91.05475	9.7
93.07037	30.6
95.04988	4.8
95.08600	100.0
97.06511	18.3
97.10165	20.1
98.25035	3.0
99.08101	6.9
105.07018	18.5
105.15193	3.2
107.08585	44.3
109.06511	4.3
109.10154	59.0
110.10421	2.7
111.08073	14.7
111.11709	12.1
113.78188	2.8
115.07546	4.3
119.08566	27.5
121.10139	39.9
123.08060	3.6
123.11694	36.9
125.09640	10.7
127.11133	4.8
133.10109	30.0
135.11697	35.6
137.09625	5.7
137.12195	4.5
137.13239	88.6
137.14252	5.5
139.11192	22.6
143.10619	4.2
147.11705	31.3
148.49326	3.0
149.13252	18.1
151.11159	10.8
151.14670	3.1
153.12752	4.0
161.13199	14.5
163.14809	35.5
165.12779	9.9
175.14851	5.8
177.16408	10.6
181.12221	10.5
193.19537	9.9
198.09943	2.8
203.17944	58.8
221.18974	66.7
239.10703	5.8
239.20027	40.1
245.16992	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	239.2003
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
51.00373	1.8
55.05504	13.2
57.03432	3.0
57.07060	10.1
58.79735	1.7
59.04959	2.0
60.81654	2.0
65.03920	2.0
66.75912	2.0
67.05496	22.7
69.03399	2.2
69.07059	20.1
69.41271	16.6
70.67199	1.8
71.04993	4.5
79.05478	14.1
81.07044	49.6
83.04987	2.8
83.08605	6.9
85.06525	5.3
89.06014	2.0
91.05463	16.2
93.07047	21.7
95.04935	4.5
95.08597	91.5
97.06559	2.5
97.10171	7.7
99.08091	4.7
105.07019	55.2
107.08582	44.0
107.12790	1.8
109.06507	4.8
109.10145	43.7
111.08081	4.5
113.09612	2.8
117.07034	2.9
119.08567	51.0
121.10135	31.1
123.08013	3.3
123.11690	23.8
125.09562	3.8
127.11198	3.1
131.08511	1.9
133.10132	24.1
133.66942	2.0
134.78110	2.2
135.11668	17.2
137.09627	5.0
137.13220	2.6
145.10176	2.2
147.11673	68.1
149.13229	8.4
151.11169	4.8
161.13235	24.9
163.11150	1.9
163.14798	21.9
165.05443	3.8
165.07047	2.6
165.12753	4.6
175.14853	3.1
177.16374	26.2
179.14302	2.8
179.17862	2.6
183.11588	5.2
184.04961	1.8
193.19470	2.4
196.05305	2.3
197.13260	2.9
203.17938	100.0
211.07541	4.6
221.19002	38.6
239.10750	2.3
239.18022	3.6
239.20001	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49258	0.5
53.03941	1.0
55.01837	0.7
55.05484	1.4
56.05050	0.7
56.96560	10.1
57.03434	3.4
57.07067	7.7
58.06591	0.7
59.04970	0.7
61.02940	1.3
65.03916	2.2
67.04227	1.0
67.05497	16.2
69.03416	4.3
69.07055	0.6
69.51539	4.9
70.06563	1.6
71.04992	3.1
72.08125	1.0
73.02882	1.6
79.05470	0.6
81.03391	1.8
82.06554	1.7
84.04475	0.6
84.08122	1.5
84.96039	1.2
85.02908	4.4
85.06533	27.6
91.05463	10.1
95.04939	2.7
97.02876	5.1
98.20843	1.3
98.97572	23.7
107.04929	1.4
108.04483	1.1
109.02839	1.4
109.07629	0.7
110.06026	77.3
110.97571	1.8
111.04390	1.1
112.07572	2.3
116.98597	16.1
119.01853	1.2
119.04928	8.0
121.06502	0.7
122.03614	0.9
123.06830	2.9
127.03897	1.3
128.98605	3.2
130.08614	1.6
131.00211	0.7
134.06010	1.5
134.99643	7.3
135.04453	0.6
136.06189	0.6
137.05951	10.2
138.05403	0.9
143.00127	1.0
145.04883	0.6
146.99644	2.7
147.03223	1.4
147.04379	15.0
148.04759	1.3
148.07507	1.0
149.01213	1.5
149.04709	0.8
149.05905	0.9
150.05490	5.4
151.02190	0.7
152.07010	2.0
155.04651	1.2
155.99553	0.6
156.03360	0.9
158.99643	6.1
161.01193	1.9
161.03055	0.6
161.04605	2.1
162.05470	1.5
163.02699	0.7
163.03923	0.7
164.07108	0.7
166.08682	0.9
169.04469	0.8
170.99678	0.7
172.03793	0.6
173.01102	0.6
174.04404	1.6
176.07088	0.8
177.00690	9.1
177.04102	0.7
178.03792	1.2
179.06976	3.9
186.04431	1.1
189.00583	0.8
189.07671	0.8
190.05013	0.8
194.04561	0.8
194.08131	5.0
194.11737	27.4
199.04411	0.7
200.02322	0.8
204.05353	0.8
205.03694	1.6
208.04895	10.4
208.55190	1.3
214.09204	0.9
217.00157	1.5
217.05435	20.2
217.55547	4.1
218.61270	0.7
219.01682	1.7
219.55721	2.5
222.07619	0.9
223.05995	0.8
228.56329	1.6
235.02779	1.7
237.02759	2.4
240.08826	8.2
240.12277	100.0
241.12517	1.9
241.15379	2.9
253.03963	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74291	0.2
53.03937	0.5
55.01854	0.8
55.05503	2.4
56.05010	0.4
56.96559	8.8
57.03434	2.0
57.07052	0.3
58.06594	18.3
59.04985	0.6
61.02920	3.4
64.63347	0.2
67.05480	0.8
69.03427	2.9
69.07058	0.6
69.62458	1.7
70.06581	3.1
70.98119	0.3
71.04960	0.7
71.95235	0.8
72.08135	0.4
73.02913	2.6
73.06553	1.5
74.97574	0.3
77.00884	0.4
79.05480	0.5
81.03409	1.7
81.07018	0.3
82.06557	0.4
83.00797	0.2
83.04959	0.6
84.04477	0.2
84.08134	10.4
84.96030	0.6
85.02898	4.7
85.06519	0.8
86.03227	0.3
86.26131	0.2
87.04433	0.6
91.05463	0.5
93.06977	0.4
95.01332	0.3
95.04945	0.4
97.02296	0.3
97.02882	3.5
98.06026	0.3
98.09686	1.5
98.20802	0.5
98.97575	11.0
99.04423	0.8
100.11224	0.7
101.00841	0.7
101.02433	0.3
101.05984	0.3
101.99660	0.3
103.02397	0.4
107.04928	0.7
107.60162	0.2
109.02859	0.8
110.06007	0.5
110.97520	0.4
112.99096	0.4
113.01694	0.2
114.05473	0.3
115.02401	0.4
116.00201	0.3
116.07040	0.4
116.10788	0.3
116.98610	11.8
116.99451	0.6
117.01874	0.6
117.44733	0.2
117.98974	0.3
118.01109	0.3
119.01889	3.2
119.04926	0.4
120.01952	0.4
121.01624	0.3
121.06503	0.5
123.04465	0.4
123.06757	0.2
124.07567	0.4
126.00748	0.3
126.05446	0.6
126.09152	0.3
127.01492	0.4
127.02355	0.2
127.03897	1.4
128.10699	3.8
128.98602	0.8
129.03960	0.3
131.00162	0.3
131.01878	1.7
131.05504	0.6
133.01595	0.5
133.03453	1.1
134.01227	0.3
134.05986	2.3
134.99637	9.9
137.02914	0.7
137.05930	0.6
138.05247	0.3
139.02504	0.3
140.00153	0.3
141.01237	0.3
141.05182	0.3
143.00168	0.4
143.01883	1.8
143.03571	0.2
144.10150	1.1
145.01678	0.5
145.03410	0.9
145.04930	0.4
146.99634	1.3
147.01332	0.5
147.03212	0.4
147.04694	0.4
147.05801	4.1
147.55832	1.1
148.04800	0.3
149.01273	0.5
149.02930	0.7
149.06578	0.8
150.01732	0.5
150.05515	0.3
150.08972	0.3
152.04654	0.5
152.07056	4.4
152.10657	0.3
153.00676	1.8
154.03865	0.8
155.04643	1.9
156.01787	0.4
156.06287	0.3
157.03577	0.3
158.01283	0.6
158.56551	1.0
158.99693	1.1
159.03233	0.3
159.06204	0.4
160.06546	0.6
161.01218	1.0
161.02928	3.3
161.04478	0.4
161.06551	0.4
162.03120	0.3
163.02698	0.6
163.04315	0.9
163.08188	0.4
164.05179	0.6
164.07022	1.3
165.00725	0.7
167.06978	0.4
168.01857	0.3
168.08812	0.2
168.10190	0.8
169.00700	0.3
169.03185	0.3
169.09676	0.5
170.05179	0.7
171.05090	0.4
171.06570	0.3
172.97562	0.5
173.01309	0.3
173.02898	1.2
173.06573	0.5
175.00922	0.3
175.04529	0.5
175.06483	0.2
177.00737	1.5
177.02162	0.3
179.07713	0.2
181.00720	0.3
181.03630	0.3
181.05148	0.4
182.03343	0.4
184.04674	0.3
185.02882	0.4
185.06561	0.4
186.99141	0.4
187.00824	0.4
189.00667	0.5
189.02286	0.3
189.06076	0.3
190.01321	0.9
190.98636	1.4
191.02325	0.5
191.03918	1.6
191.05493	0.3
192.04227	0.2
192.98611	0.3
193.00224	0.5
193.03705	0.3
195.11890	0.3
196.09663	7.5
199.01903	0.7
200.02231	0.3
201.00687	0.7
203.04045	0.7
205.00154	0.4
208.99539	0.4
211.06180	0.3
213.02483	0.3
213.05884	0.4
213.09262	0.3
213.15976	0.5
217.00125	0.9
217.01965	0.5
217.05498	0.4
217.09200	0.3
218.05580	0.3
219.01682	1.2
219.03490	0.6
221.05074	0.6
231.03548	0.5
234.99471	0.3
237.02777	2.0
238.03116	0.3
240.57426	0.3
241.15439	100.0
242.10228	1.7
242.15782	2.0
245.05112	0.3
251.04185	0.4
255.03838	0.5
258.99701	2.8
260.00018	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1795
Annotation	Chokol F
Peak:m/z	Relative Intensity
55.01863	15.8
55.05505	21.3
57.03418	4.2
57.54743	2.2
59.04991	2.8
62.58413	2.5
67.05495	34.1
69.03414	9.6
69.07069	19.2
69.33688	19.2
71.04979	11.9
73.35278	2.3
79.05487	23.5
81.06585	4.6
81.07050	76.3
81.09621	2.7
83.04981	25.2
83.08594	7.8
85.06512	10.2
91.05471	25.3
91.30885	2.5
93.03674	3.7
93.07041	43.5
95.04971	4.4
95.08064	3.8
95.08601	55.9
97.02882	4.5
97.06508	11.3
97.10161	6.1
99.08069	4.5
101.06008	29.3
105.07023	42.3
107.08587	25.9
109.06496	5.4
109.10149	31.5
111.08070	7.8
113.05979	6.2
115.07564	13.1
117.06976	8.1
119.08579	28.1
121.10131	31.1
123.08066	3.4
123.11681	30.4
125.09681	2.6
127.07411	2.6
131.08577	22.1
133.10123	14.5
134.45990	2.7
135.08034	2.6
135.11690	15.3
137.09581	2.6
137.13295	3.0
139.95679	2.5
139.97418	2.7
145.10127	31.0
147.11674	36.3
149.13210	10.0
150.17896	2.4
151.11134	4.8
159.11668	8.7
161.13243	18.7
163.14807	6.9
165.07199	2.8
165.12743	10.1
175.14795	12.0
177.16356	7.2
179.14307	25.8
187.14790	11.8
193.15837	8.4
205.15845	10.7
213.05411	2.9
223.16916	100.0
223.20229	4.0
224.17326	2.9
226.06226	2.7
241.08530	7.2
241.12302	5.0
241.17921	23.9
242.09697	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	241.1794
Annotation	Chokol F
Peak:m/z	Relative Intensity
53.03938	3.0
55.01869	12.1
55.05503	14.0
57.03403	2.5
57.07069	3.3
61.26075	1.7
65.03910	2.7
67.05490	26.0
69.03421	9.4
69.07063	15.3
70.46225	6.0
71.04981	9.9
73.69576	1.7
74.08950	2.2
79.05483	21.0
81.03397	3.1
81.06583	3.3
81.07047	56.0
82.74023	2.0
83.04973	23.8
83.08593	6.2
85.06528	6.6
91.05463	22.0
93.07032	34.3
95.04947	4.8
95.08595	46.7
97.02847	3.5
97.06514	7.0
97.10139	4.6
99.04422	5.8
101.06008	21.5
105.05489	2.6
105.07016	43.8
107.08584	25.3
109.06488	5.2
109.10133	27.5
111.08055	4.4
111.96611	2.4
113.05966	4.2
115.07548	12.2
117.06988	11.6
119.08566	26.8
121.10130	18.0
123.08035	3.0
123.11697	24.7
129.06926	2.4
131.08527	12.3
133.10086	11.1
135.11668	8.3
137.05934	2.8
137.09572	2.5
141.09113	6.5
143.08472	3.0
145.10114	21.0
147.11681	23.7
149.09604	3.8
149.13223	7.4
151.11134	4.8
159.11646	10.7
161.13237	12.9
163.14787	2.3
165.06898	2.0
165.12698	7.8
167.06955	9.9
175.14807	14.2
179.14296	20.6
181.06728	2.1
181.08499	2.0
181.10086	2.3
183.13788	2.4
187.14763	14.9
193.15884	6.3
205.15825	9.9
209.04517	2.8
210.09201	2.0
221.09314	2.1
223.16902	100.0
224.17192	3.1
241.04976	3.1
241.08563	3.9
241.12297	6.0
241.17854	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.8
55.01865	13.7
55.05503	6.0
56.96557	53.0
57.03428	31.1
58.06580	8.0
58.99858	2.5
59.04984	9.6
61.02921	74.1
65.03310	2.2
69.03422	63.0
70.03732	2.7
70.06561	3.7
70.98099	8.4
70.99857	2.2
71.00796	4.6
71.01347	4.8
71.04987	19.0
71.95245	2.8
72.04506	5.4
72.08145	2.4
73.02910	41.0
74.97568	2.5
75.04461	4.5
77.00882	2.4
81.03400	27.5
83.00776	4.8
83.01312	5.9
83.04956	6.4
84.01559	2.2
84.08104	5.6
84.96018	7.0
85.02895	100.0
85.06526	3.8
86.03217	4.4
86.06883	3.3
87.04462	12.7
88.02666	3.2
88.99139	5.0
90.01526	4.6
91.03940	6.3
94.02658	4.2
95.01347	2.8
95.03452	7.0
96.01532	2.2
97.00446	2.4
97.02399	3.7
97.02879	91.7
98.03154	3.5
98.03941	4.8
98.20821	2.1
98.97572	45.2
99.04431	16.0
100.02424	4.7
101.00866	16.5
101.02381	5.4
101.03427	4.9
102.02413	2.5
102.04207	3.7
102.54314	3.0
103.00562	2.7
103.02415	9.6
103.03922	2.4
104.01299	2.9
104.03107	3.0
104.03944	3.0
106.01017	3.1
106.02843	2.3
108.04250	4.6
109.02852	15.0
110.01269	5.5
110.03214	3.1
110.03945	11.5
110.07166	5.1
110.97554	9.0
111.02888	4.5
112.01029	2.8
112.99127	7.1
113.00838	4.8
113.02353	4.8
114.04208	2.8
115.02431	15.4
115.03158	3.5
115.03933	6.7
116.03976	5.2
116.65516	2.0
116.98621	24.5
117.01855	6.9
117.03948	4.3
117.04712	4.8
118.01013	3.4
119.00169	2.8
119.01897	36.7
119.03609	2.8
119.04462	4.4
120.01955	4.9
120.06463	2.1
121.01588	3.7
121.03469	3.4
122.03951	2.6
123.02906	5.5
124.95425	3.7
124.99181	2.2
125.04456	5.8
127.01520	4.6
127.03918	29.3
127.90396	2.0
128.02327	4.0
128.98601	13.8
129.01860	3.2
129.03955	10.1
130.52586	2.7
131.00206	14.7
131.01868	20.9
131.03529	3.3
131.04471	6.8
131.54718	2.5
132.00728	7.7
132.01859	2.5
132.03391	6.3
132.05144	2.7
132.53513	2.6
133.01715	17.3
133.03433	60.2
133.04375	4.0
134.03537	5.9
134.05980	9.5
134.99678	5.8
135.03206	2.1
135.04922	2.4
137.02931	5.6
137.04456	3.5
138.05467	2.4
139.01471	3.7
139.03334	5.3
139.04192	8.2
140.02263	4.0
140.04999	3.5
141.01230	9.8
141.03970	2.9
142.03773	3.3
142.96504	7.5
143.00168	4.6
143.01866	15.0
144.99797	4.1
145.01566	2.6
145.03404	16.6
145.04976	11.9
146.04980	29.2
146.08014	2.6
146.55072	5.4
146.99622	12.2
147.01341	4.8
147.03090	9.2
147.04980	53.3
147.55850	2.7
148.01987	6.8
148.03851	70.4
148.04924	4.0
148.54008	5.7
149.01167	6.6
149.02948	4.1
149.04608	3.3
150.01804	11.7
150.09128	4.8
151.02744	11.6
151.04482	10.7
152.04939	8.4
152.07007	17.3
152.98579	2.4
153.04018	3.0
153.05725	5.3
153.07446	3.5
154.01962	3.5
154.53635	2.1
155.01860	6.2
155.04327	2.5
155.05519	42.0
155.55597	6.2
156.03529	6.0
156.07710	3.3
157.01389	5.0
157.02393	17.9
157.03592	4.6
157.04469	34.3
157.52742	2.8
158.99644	6.6
159.05020	25.9
159.54633	8.2
160.05132	2.5
160.07585	2.3
160.97586	3.4
161.01181	5.5
161.02902	15.6
161.05519	98.9
161.55594	21.6
162.99184	2.4
163.02863	4.1
163.04413	14.9
164.05106	2.9
164.07114	2.6
165.00653	9.5
165.06044	17.9
166.03076	6.3
166.56358	5.7
168.01703	3.0
170.06117	85.9
170.56195	20.0
170.99693	4.5
171.01254	2.9
171.04936	9.6
172.97635	2.4
172.99338	5.9
173.01428	2.6
173.02933	9.1
174.04468	4.8
174.99129	3.8
175.00728	2.6
175.02872	3.8
175.04486	11.4
176.03282	3.1
177.00711	7.1
177.02377	5.6
177.04294	5.5
177.06075	19.9
178.04897	13.7
178.06252	3.8
178.08611	3.8
178.55038	2.3
179.07002	5.2
181.56859	10.6
182.06953	4.4
183.01430	4.5
183.05098	2.6
185.02980	3.2
185.06673	3.8
186.99182	2.5
187.04510	3.4
188.97070	4.5
189.00652	6.5
189.02348	4.2
189.03961	13.8
189.05904	11.6
190.98677	4.0
191.00331	3.3
191.02097	3.7
191.03993	5.4
193.00206	5.6
193.03775	4.7
195.07083	16.7
196.00941	10.4
196.09657	56.8
198.02774	2.6
198.04610	6.7
199.01859	2.8
199.04503	4.9
201.00697	3.2
201.02432	6.0
201.06059	6.2
202.98680	2.2
203.02242	3.4
203.03993	4.6
204.02831	5.3
205.00206	4.4
205.01959	3.2
205.05597	4.3
206.98082	2.3
207.01776	4.3
212.04353	7.2
213.06026	3.1
214.02019	3.9
215.07523	2.5
217.05577	2.1
218.81641	2.3
219.01723	13.3
219.05260	3.7
219.07137	12.2
221.05095	5.3
223.01219	6.4
223.06548	3.8
224.09160	3.9
228.03488	4.5
229.01836	3.6
231.03348	2.1
231.07146	8.1
237.02835	14.7
241.05586	4.6
242.05437	8.8
242.07727	4.4
242.10202	53.3
242.15755	46.2
243.03496	3.8
243.06999	2.7
245.05046	4.0
247.06680	5.7
259.06638	5.6
261.08170	3.9
263.00830	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	243.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98594	0.1
56.96558	0.7
66.94076	0.1
71.51621	0.2
71.52011	0.1
82.99875	0.2
98.97566	2.2
99.97888	0.2
101.00860	2.4
116.98600	2.5
119.01904	12.9
120.02020	0.3
122.97811	0.2
134.99667	2.4
136.99226	0.1
137.02939	4.4
140.98825	0.4
142.03500	0.4
153.00848	0.8
158.99860	1.3
159.01112	0.2
160.04686	0.1
161.02983	0.1
165.99596	0.2
175.03056	0.3
177.00926	26.9
178.01030	1.7
179.01167	0.1
179.99014	0.1
182.99782	0.6
193.04039	0.5
195.02017	0.6
197.00513	0.2
197.02922	0.2
200.02551	0.4
201.00891	1.4
201.02446	0.4
202.02815	0.1
202.05415	0.1
215.01677	0.3
215.03940	0.2
217.04057	3.4
218.03581	0.7
219.01968	28.1
219.94582	0.2
220.02081	3.1
220.04231	0.3
221.01805	0.9
222.01860	0.1
225.00841	2.3
234.00760	0.2
237.02997	0.2
238.03288	0.2
242.03586	0.9
243.01930	7.9
244.02048	0.3
260.04550	0.3
261.03018	100.0
262.03143	4.1
263.03268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0862
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
50.36628	1.0
53.03937	3.0
55.01870	1.1
61.02918	12.6
62.07405	0.8
63.74981	1.0
65.03939	9.1
67.05499	5.0
70.70363	2.4
71.01353	1.3
77.03909	1.0
79.05502	5.3
81.07055	3.0
82.04222	1.5
85.02894	4.8
91.05478	17.9
93.03421	1.6
93.06996	1.1
94.04175	1.3
95.04961	12.7
96.05792	1.2
97.02862	2.0
97.06547	1.2
97.22157	0.9
98.97579	2.0
103.05521	1.2
105.03381	3.4
105.04510	1.1
107.04940	7.8
108.02085	2.0
109.06503	14.1
110.03654	4.1
111.04438	2.6
116.98615	1.4
119.04926	5.0
123.04423	13.8
125.02364	6.3
125.05973	2.2
133.02829	11.3
135.04393	3.4
137.05960	20.6
138.03105	1.9
140.04668	100.0
146.03673	1.2
147.04425	6.7
149.02344	1.2
152.04659	2.4
153.05461	2.3
155.07018	91.5
156.07353	1.1
158.99582	1.0
160.61427	1.0
163.03943	3.3
165.01871	1.5
165.05463	20.4
167.07047	2.0
171.06517	3.7
173.08075	6.5
179.07031	10.0
180.04156	17.2
181.04936	74.5
182.05275	1.3
183.06520	3.1
184.03638	1.1
193.04955	27.1
195.06496	12.5
197.06349	1.5
197.08035	7.8
207.06497	27.2
225.07553	19.2
231.05103	1.5
243.06508	1.6
243.08632	10.4
260.70911	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36628	1.0
53.03937	3.0
55.01870	1.1
61.02918	12.6
62.07405	0.8
63.74981	1.0
65.03939	9.1
67.05499	5.0
70.70363	2.4
71.01353	1.3
77.03909	1.0
79.05502	5.3
81.07055	3.0
82.04222	1.5
85.02894	4.8
91.05478	17.9
93.03421	1.6
93.06996	1.1
94.04175	1.3
95.04961	12.7
96.05792	1.2
97.02862	2.0
97.06547	1.2
97.22157	0.9
98.97579	2.0
103.05521	1.2
105.03381	3.4
105.04510	1.1
107.04940	7.8
108.02085	2.0
109.06503	14.1
110.03654	4.1
111.04438	2.6
116.98615	1.4
119.04926	5.0
123.04423	13.8
125.02364	6.3
125.05973	2.2
133.02829	11.3
135.04393	3.4
137.05960	20.6
138.03105	1.9
140.04668	100.0
146.03673	1.2
147.04425	6.7
149.02344	1.2
152.04659	2.4
153.05461	2.3
155.07018	91.5
156.07353	1.1
158.99582	1.0
160.61427	1.0
163.03943	3.3
165.01871	1.5
165.05463	20.4
167.07047	2.0
171.06517	3.7
173.08075	6.5
179.07031	10.0
180.04156	17.2
181.04936	74.5
182.05275	1.3
183.06520	3.1
184.03638	1.1
193.04955	27.1
195.06496	12.5
197.06349	1.5
197.08035	7.8
207.06497	27.2
225.07553	19.2
231.05103	1.5
243.06508	1.6
243.08632	10.4
260.70911	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26497	4.7
53.03924	4.2
55.01868	5.5
55.05484	5.2
56.96558	69.2
57.03417	18.1
58.63999	4.4
61.02922	30.1
61.19670	4.2
69.03413	34.3
70.06583	13.6
70.98074	5.0
71.04987	10.0
72.08158	39.7
73.02896	18.4
77.00880	10.0
81.03397	20.6
84.08155	7.2
85.02896	53.6
87.04443	8.5
91.02299	5.9
92.06384	4.2
97.02876	41.9
98.03507	5.0
98.97567	33.9
99.04451	8.8
100.99151	10.1
101.00872	37.7
105.02090	4.2
109.02878	14.1
109.04043	4.5
112.02848	5.4
112.05080	65.0
113.00874	5.2
115.02373	9.2
116.98589	16.3
118.02778	10.0
119.01910	100.0
119.03571	6.3
120.02030	5.8
121.01570	4.7
123.10459	4.7
124.02794	10.0
127.03909	11.0
128.02327	9.5
129.58031	5.6
131.01909	34.6
133.03398	21.8
134.99643	7.1
137.02907	8.6
137.05945	5.1
141.01144	5.1
141.03085	4.6
142.03410	7.6
142.96387	5.9
143.01880	15.5
145.01691	9.9
145.03392	28.6
145.05011	5.6
146.99524	8.6
150.03502	6.6
153.05759	6.8
153.55893	13.6
154.03793	15.9
154.05666	10.0
155.01814	30.3
155.08150	5.8
157.03468	27.8
161.02917	24.0
162.06465	5.3
163.02792	29.1
163.04384	98.0
163.54538	8.7
167.01936	7.2
171.05052	7.6
172.04662	6.9
173.02931	34.1
175.02565	5.3
175.04509	6.7
177.00781	7.3
178.04922	5.6
179.01830	6.4
181.03784	13.6
184.07220	5.5
185.02930	57.6
187.04469	6.4
188.97044	17.5
190.05626	6.5
191.03946	7.4
195.05232	4.9
197.02954	15.7
198.00780	8.6
198.04311	7.1
203.03989	17.6
204.07640	5.8
205.03740	6.2
205.05524	12.0
206.98097	7.0
221.05017	40.5
225.06197	5.3
232.06599	5.0
235.06476	10.9
237.02740	6.6
239.06081	23.8
244.06696	8.8
244.09387	5.9
244.11707	8.8
245.04955	40.4
262.07907	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	244.9968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.6
55.05508	0.9
56.05009	0.8
56.96561	100.0
57.03430	2.3
57.97361	0.7
58.06583	0.9
58.99874	0.7
60.08147	1.1
60.95867	0.9
61.02927	2.1
61.50053	0.6
66.40894	0.7
67.05493	1.4
68.05045	1.7
69.03425	5.1
69.93021	3.8
70.06590	2.1
70.98116	9.9
71.05001	1.5
71.95258	15.3
72.08152	2.4
72.96044	4.3
72.96936	0.6
73.02927	1.4
73.08453	0.8
74.97596	3.7
77.00895	1.5
81.03426	2.4
82.99856	1.0
83.05013	0.9
84.04505	1.2
84.08144	1.5
84.21520	0.6
84.96032	6.8
85.02895	5.1
86.06080	3.1
86.09708	1.1
86.71738	0.7
87.04461	0.7
88.99148	5.2
91.05466	1.0
92.98608	0.7
95.01919	0.9
97.02882	10.1
97.96819	0.9
97.99199	0.7
98.97575	42.9
99.04443	1.8
101.00867	12.1
102.96954	1.5
103.02412	1.3
105.00352	1.1
107.00192	3.3
107.04957	1.1
107.08631	0.8
109.02858	1.9
110.97586	1.9
111.04462	1.1
112.99120	1.5
113.00876	2.0
115.00658	1.0
115.02444	2.0
115.97807	1.0
116.00164	1.0
116.98614	44.1
118.01134	0.8
119.01910	48.6
120.02025	1.8
120.97926	1.6
121.01648	2.0
121.03512	1.0
123.04414	1.1
124.95482	5.3
127.02428	0.9
127.03922	1.8
128.98650	3.3
129.03972	1.2
131.00214	4.0
131.01895	11.6
133.01724	4.1
133.03456	4.3
134.01297	0.8
134.99646	40.8
135.03114	1.6
135.04298	0.8
136.02837	0.9
137.02946	13.7
137.05978	2.7
138.98936	1.7
139.02576	1.0
140.00195	2.6
142.03531	0.9
142.96512	10.9
143.00179	1.9
143.01903	10.5
144.84998	0.7
145.01712	1.5
145.03458	12.0
146.99619	5.4
147.01367	1.1
147.05072	1.0
149.01204	3.7
149.02953	2.8
150.00760	0.7
151.02766	1.2
153.00671	8.9
155.01903	6.0
155.03535	0.8
156.02666	1.6
157.03464	10.9
158.01288	3.7
158.08127	0.7
158.99577	3.2
159.01474	0.8
159.05025	1.4
160.97577	18.1
161.01300	2.6
161.02940	47.4
162.03069	0.7
162.99124	2.9
163.02777	1.7
163.04510	3.4
164.04102	0.8
165.00687	4.8
167.01956	1.9
169.03474	2.1
170.95963	4.8
171.04840	1.0
171.52124	0.7
172.97603	1.3
173.01390	0.9
173.02988	12.6
174.99123	5.4
175.02887	1.3
175.04533	9.2
177.00693	4.5
178.98601	4.0
179.00719	1.7
179.02147	0.8
179.03976	1.7
183.01820	1.1
184.04521	2.8
184.97562	3.8
185.01331	0.8
185.02919	16.5
187.04523	5.1
188.97055	42.6
189.00688	3.2
190.95464	1.2
190.98650	6.1
191.02275	2.2
191.03979	2.6
193.00191	11.5
193.01875	1.0
196.04601	1.1
197.01323	0.8
197.02956	7.0
199.04500	3.3
202.98625	14.6
203.02248	2.3
203.03995	10.2
205.00237	1.3
205.05548	1.1
206.98119	36.9
207.01489	1.4
208.04727	1.0
208.99643	1.2
211.01183	1.5
211.98683	3.3
214.98595	0.9
215.04080	3.3
217.00154	0.9
217.02028	1.7
217.05534	2.8
219.01784	1.1
220.99712	12.3
221.01660	1.7
221.03284	0.9
221.05025	10.0
222.02260	0.8
224.99060	3.6
226.00107	1.5
227.04021	1.8
227.07152	0.8
229.99757	2.2
230.96071	0.8
230.98080	3.8
232.99780	1.9
233.05025	1.3
236.06317	1.2
237.02795	1.7
239.00713	2.9
244.01062	0.9
245.04930	48.1
245.11688	1.5
245.14920	6.5
248.99110	2.5
263.02878	8.7
263.06122	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	245.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
56.96558	19.8
57.03424	1.1
58.99851	2.8
61.02917	1.7
64.18884	0.5
68.98289	1.9
69.03410	3.5
69.56470	1.2
69.56890	2.5
70.98112	1.3
70.99844	2.5
71.04974	0.5
71.95258	3.5
72.08132	0.5
72.96027	1.3
73.02924	0.6
77.00898	2.4
80.99718	0.5
81.03400	2.4
82.99800	2.8
84.96045	1.0
85.01391	0.7
85.02900	3.5
86.99299	2.8
89.00877	1.6
95.01931	1.1
97.02872	5.8
98.20838	1.0
98.96928	1.0
98.97566	15.0
100.02503	0.5
100.11288	0.8
101.00870	38.8
102.00933	1.1
103.02417	1.1
105.00364	1.8
109.02877	2.5
110.97543	0.8
113.00847	4.4
115.02420	4.2
116.98605	10.3
119.01907	100.0
120.02041	3.1
121.01609	0.8
121.03481	1.1
124.02447	0.7
124.95448	1.4
125.00820	0.6
127.02386	3.5
127.03923	0.6
128.98592	1.0
129.00388	0.7
129.03970	3.2
131.01891	19.8
132.01993	0.9
133.01639	0.6
133.03444	5.2
134.99652	6.7
135.01300	0.6
137.00783	0.9
137.02946	14.2
138.02904	0.6
139.02382	2.6
142.03450	2.7
142.96503	3.3
143.00137	0.9
143.01880	16.2
145.03445	26.2
146.03598	1.8
146.99648	1.3
147.01360	3.7
147.05029	2.5
149.02936	2.8
153.00716	0.6
153.03929	1.2
154.54761	0.9
155.01874	26.8
155.76776	0.6
156.02664	1.8
157.03453	20.1
158.03516	1.0
159.01443	0.6
159.05045	1.2
160.97609	2.6
161.02942	31.6
162.02995	0.6
163.03009	1.1
163.04448	6.1
164.05058	0.9
165.00682	0.7
165.02516	0.6
167.01866	12.2
168.05046	0.7
169.03490	4.3
170.96051	1.2
171.05040	6.9
173.02943	34.5
174.03136	1.9
174.99130	1.1
175.04515	8.9
177.00812	0.7
179.00458	0.8
179.01888	5.8
179.04008	1.5
180.05145	0.6
181.03412	0.6
183.05176	0.8
184.04536	1.9
185.02934	82.8
186.03145	2.4
187.04512	7.7
188.97037	11.3
189.06021	1.3
191.03992	3.8
193.00203	2.5
195.04951	0.7
196.04573	1.7
197.02934	28.5
198.03113	1.1
199.04358	1.2
202.98622	4.0
203.02068	1.0
203.03986	19.7
204.04076	0.6
205.05595	2.1
206.98116	9.2
207.01611	0.7
207.98354	0.6
208.04527	3.9
209.03011	1.1
215.03992	9.1
217.05283	0.6
220.04559	1.6
220.99693	2.3
221.03410	0.6
221.05049	13.6
222.05266	1.3
223.06630	0.7
224.99156	0.7
227.03975	5.0
228.40169	0.5
229.89795	0.5
230.98112	1.0
240.06247	1.0
244.06760	0.7
245.04915	49.5
246.05147	1.0
248.99155	0.6
263.03448	0.8
263.06134	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	245.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12652	0.3
55.02596	0.3
56.96547	0.5
68.70105	0.3
69.03402	1.2
71.51240	0.4
81.03398	1.1
82.99827	0.7
97.02879	1.9
98.97576	0.5
99.04433	0.4
101.00870	7.0
102.96845	1.3
103.00606	1.3
103.02405	0.4
105.00358	0.5
109.02887	0.3
113.00844	1.2
115.02395	0.8
115.03842	0.4
116.98604	0.6
119.01910	31.0
120.01979	2.0
120.97868	1.0
121.01656	6.9
121.02446	0.8
121.03436	0.5
126.36972	0.3
127.03884	0.4
127.95354	0.4
129.03900	0.3
131.01886	5.0
133.03389	1.1
134.99767	0.4
136.99657	0.4
137.01869	0.5
137.02936	9.4
138.98891	0.7
139.02664	2.6
142.03464	1.4
143.00853	0.5
143.01888	7.9
145.03452	4.8
147.01425	0.6
147.04993	0.6
149.02925	1.2
149.06577	0.6
154.32726	0.3
155.00705	0.6
155.01822	1.5
157.03442	5.2
157.47690	0.4
159.04984	0.4
160.99628	1.4
161.02937	30.4
162.03030	0.7
163.04475	0.9
167.01825	0.4
169.03436	1.0
171.05046	0.6
173.02960	4.5
175.04498	4.0
177.00925	1.9
177.02554	0.7
178.01025	2.6
179.00682	25.1
179.03894	1.8
180.00851	0.6
184.04506	1.3
184.99715	0.4
185.02928	5.5
187.04498	2.2
188.52759	0.3
189.06049	0.7
191.03937	1.7
197.03046	2.5
199.00882	0.5
199.04526	1.2
202.02393	0.5
203.00696	1.0
203.03941	4.6
215.04031	1.7
217.05670	1.9
219.01910	0.8
219.03828	3.8
220.02013	1.9
221.01750	29.3
221.05199	1.0
222.01945	2.2
227.00568	2.0
227.04019	0.8
233.05066	0.8
244.03355	0.7
245.01891	5.7
245.05028	18.2
245.12097	1.2
261.03070	0.7
261.66629	0.3
263.02838	100.0
264.02960	3.0
265.03125	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1533
Annotation	2-Hydroxy-7-methoxycadalene
Peak:m/z	Relative Intensity
52.02791	0.7
54.02719	0.9
68.68343	0.8
69.07035	1.5
69.29604	2.4
69.30025	6.1
75.69691	0.8
79.05466	1.2
81.07033	1.5
90.63507	0.8
91.05471	1.6
103.05442	1.0
105.07009	1.4
107.08566	2.0
109.06521	1.1
115.05405	1.2
117.07106	1.0
121.06510	2.6
128.06201	0.8
129.06987	2.3
141.06924	0.9
145.06458	2.9
145.10164	1.0
147.08008	1.8
149.05960	3.4
151.07536	2.2
155.08545	2.1
157.06415	1.3
157.10075	2.4
158.07245	1.7
159.08025	3.4
171.08069	1.1
172.08807	6.1
173.05974	4.7
173.09596	1.6
174.06680	1.9
174.08037	1.6
175.07510	7.5
176.58376	0.9
177.05444	2.7
183.08046	1.2
184.08850	0.8
185.09584	2.6
186.10350	1.2
187.07529	3.4
187.11171	1.9
188.08284	20.5
189.09058	3.4
199.11157	6.6
200.08315	1.6
201.09093	4.7
201.12762	1.3
202.09856	4.9
203.06976	4.1
203.10640	23.2
214.13455	2.9
215.10648	32.3
216.11409	5.8
217.12257	15.2
230.13022	14.4
245.11852	4.0
245.15352	100.0
246.15657	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19489	1.9
53.03926	5.1
55.01870	13.2
55.05503	32.7
57.03415	5.4
57.07048	5.9
59.04983	5.4
61.02931	2.3
64.52712	2.0
67.05494	33.9
68.99783	4.6
69.03416	21.8
69.07065	30.7
71.04985	100.0
71.53233	2.7
73.06509	2.0
77.76043	1.8
79.05479	23.0
79.67340	1.9
81.03407	11.3
81.07043	44.7
83.04962	24.6
83.08613	16.8
85.02873	5.8
85.06532	27.8
87.04438	4.6
91.05466	17.7
93.07030	35.0
95.04971	10.0
95.08596	65.9
97.02863	3.0
97.06499	7.7
97.10149	15.9
99.04446	20.3
99.08092	3.8
101.05988	4.5
103.05444	1.9
105.07024	30.6
107.04935	5.2
107.08582	68.7
109.02818	2.5
109.06487	4.5
109.10146	25.6
111.08054	5.2
113.09631	5.5
115.05377	4.9
115.07590	10.2
117.06952	2.8
117.48111	1.8
119.08566	19.3
121.10131	41.3
123.04417	13.5
123.08050	15.1
123.11694	18.1
125.09614	22.9
127.03865	4.4
128.06206	6.6
129.06984	7.3
131.04831	2.4
131.08549	9.2
133.06474	8.6
133.10110	14.5
135.11685	20.0
137.09607	4.2
137.13231	8.1
139.11163	26.8
141.09082	8.1
143.04869	1.9
143.08531	6.7
143.10661	35.4
145.06511	2.0
145.10040	6.1
147.04411	4.3
147.11653	20.8
149.05919	2.1
149.09572	13.8
149.13251	14.4
151.03888	19.0
151.11238	2.5
153.06999	3.4
155.04904	2.8
155.08574	4.3
155.10635	6.7
157.06477	6.4
157.10091	2.9
157.94044	1.8
158.09612	14.2
159.08054	2.5
159.11703	2.1
160.05188	2.1
160.07523	2.5
161.05991	5.5
161.13190	7.7
163.14793	9.9
165.12718	11.8
167.10675	13.9
168.07913	2.6
169.12297	3.1
171.08043	5.9
173.05937	2.4
173.08086	2.0
173.13266	7.0
174.06760	2.5
175.07501	6.9
175.14755	4.5
179.14258	4.8
181.06447	4.9
181.10164	2.9
183.13779	33.4
184.05219	2.4
185.05972	3.4
185.11719	54.6
185.13287	2.7
189.05412	4.7
189.09200	2.8
189.16341	5.4
191.14282	8.5
197.15320	11.7
199.03891	2.5
199.07509	10.3
201.05446	2.5
201.14877	15.5
202.08542	2.1
203.03307	6.3
203.07059	4.6
209.05875	2.2
209.15346	27.3
215.16451	3.0
217.04919	2.5
217.08594	12.6
227.06950	8.3
227.10771	2.1
227.16379	49.1
230.05663	2.6
245.04408	99.0
245.08067	41.1
245.11687	6.9
245.15298	4.3
245.17372	13.9
245.22612	23.5
246.04800	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	245.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.9
55.01870	11.9
55.05508	34.3
57.03429	5.9
57.07056	6.6
57.98174	2.0
59.04984	4.5
65.03908	2.2
67.05499	30.0
67.19376	2.3
68.99775	3.4
69.03429	19.9
69.06732	2.2
69.07066	30.5
70.03914	8.0
71.04989	100.0
79.05478	20.1
81.03407	9.7
81.07052	39.2
83.04979	25.2
83.08596	13.0
85.02888	4.2
85.06547	25.0
87.04471	5.8
88.96036	2.4
91.05477	16.1
93.07036	32.9
94.94971	2.2
95.04947	8.4
95.08597	65.1
97.02905	4.9
97.06522	6.1
97.10164	14.0
98.97571	2.6
99.04447	23.2
99.08057	7.8
101.05995	3.1
103.05462	2.7
105.07026	32.5
107.04976	4.0
107.07872	3.5
107.08579	60.9
109.02847	2.8
109.06512	5.0
109.10139	25.1
111.08073	4.9
111.62267	2.0
113.06025	2.7
113.09649	2.8
115.05440	5.1
115.07550	6.6
117.05471	2.7
117.06996	3.5
119.04902	2.7
119.08570	17.5
121.10136	28.8
123.04412	14.1
123.08042	12.9
123.11707	15.1
125.09609	21.3
127.03864	3.1
127.07552	2.0
128.06200	6.2
129.06981	6.7
131.04916	2.7
131.08531	9.1
133.06441	6.3
133.10120	12.8
135.04463	2.4
135.11659	15.4
137.09538	4.1
137.13228	5.1
139.11174	28.8
141.09056	10.5
142.03218	2.7
143.08514	6.1
143.10651	31.6
145.10091	4.9
147.04370	4.0
147.11678	19.3
149.09583	11.7
149.13272	12.7
151.03915	19.8
151.11142	2.4
152.06158	3.3
153.06956	7.3
155.08557	5.0
155.10661	4.1
157.06468	7.3
157.12202	2.5
158.09657	11.9
158.35707	2.1
159.07993	2.6
160.07524	2.6
161.05971	7.7
161.09668	2.5
161.13251	9.9
163.14767	8.8
165.12717	13.5
167.10683	14.3
171.04410	3.0
171.08012	8.0
173.13225	4.6
175.07520	8.0
175.14790	7.0
179.14240	3.6
181.06471	6.2
183.13782	26.1
185.05919	2.6
185.11731	49.0
185.13126	2.0
189.09177	5.2
189.16360	4.4
191.14285	6.6
197.15376	12.8
199.03915	4.8
199.07524	7.7
201.05513	2.6
201.14818	11.7
203.07010	2.8
209.05765	2.4
209.15373	28.5
217.04855	3.6
217.08591	14.9
227.07037	4.9
227.10619	2.6
227.14143	2.8
227.16368	46.0
227.18474	2.7
245.04433	77.5
245.08073	42.3
245.11768	7.7
245.15288	4.9
245.17465	14.6
245.22578	18.4
246.04768	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	246.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01774	0.2
53.03945	0.6
55.05487	1.0
55.84647	0.2
56.05022	0.2
57.03415	0.3
57.07054	0.4
65.03887	0.2
68.05006	0.6
68.99766	0.6
69.03410	0.5
69.07053	0.4
71.51900	0.3
79.05064	0.4
79.05485	5.8
80.05002	1.2
81.03410	0.5
81.05342	0.4
81.05788	5.5
81.07042	4.8
82.06540	0.5
83.04961	0.3
84.04500	0.5
85.02906	1.5
91.05481	0.4
93.07052	0.3
94.06561	2.1
95.04964	0.8
96.04478	0.6
96.08120	20.2
97.02885	0.4
98.63583	0.2
98.97575	0.2
100.07651	0.3
105.07027	0.5
106.06544	3.5
107.04967	0.6
109.06555	0.3
111.04462	0.3
112.07578	0.2
118.16982	0.2
119.08538	0.3
121.02813	0.3
121.06502	0.3
123.04412	0.3
124.07577	100.0
125.07908	1.0
126.05521	0.4
140.07076	0.3
144.05511	0.4
145.06514	0.3
146.79376	0.2
151.03886	0.3
153.01839	0.2
163.03818	0.3
172.05049	1.0
177.00621	0.4
178.86589	0.3
187.11243	0.3
200.04428	0.8
200.07355	2.1
201.05432	0.7
218.05609	0.9
228.12161	0.5
229.04968	0.7
246.04836	5.8
246.07985	3.1
246.24263	0.6
247.06058	2.9
247.13463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.5
55.01855	1.9
55.05509	6.4
56.96561	98.9
57.03434	4.8
57.07077	1.0
61.02921	5.7
62.59532	0.9
66.83829	0.9
67.05495	1.7
68.99763	1.6
69.03421	8.5
69.07030	1.2
69.66042	4.6
70.06582	1.3
70.98119	35.1
71.04989	1.9
71.95248	1.6
72.08150	1.7
73.02903	4.8
73.06561	6.5
74.97602	9.4
79.05476	2.0
81.03397	3.4
81.07044	1.9
83.04972	2.3
84.08100	1.5
84.96010	5.1
85.02905	9.8
86.09694	1.4
87.04442	2.4
88.03900	1.1
88.99155	37.1
91.05464	4.1
92.98647	2.5
93.07008	1.3
97.02882	7.5
97.99160	1.3
98.97575	21.9
99.04444	2.0
100.99130	1.5
101.00882	1.4
102.03333	1.2
102.05501	1.6
105.07004	1.9
107.00192	15.1
107.04942	1.4
107.08577	0.9
109.02859	1.5
110.97550	3.1
111.04391	1.5
115.02402	1.3
116.00140	1.2
116.97829	1.3
116.98615	18.2
117.06989	1.5
119.00178	4.8
119.01923	8.1
119.04899	2.6
121.01639	3.5
121.02928	1.2
125.01208	1.6
125.02643	4.8
127.01548	1.2
127.03889	4.3
128.06233	1.2
128.98582	13.8
129.06996	1.5
131.00183	2.3
131.01889	3.5
131.02721	1.8
131.05624	1.2
131.08546	2.8
133.01660	3.1
133.03424	3.5
133.10098	1.0
134.99635	12.2
135.03123	1.3
135.07959	1.1
137.02873	1.5
137.05963	1.6
140.98618	1.2
143.00108	1.2
143.01857	3.0
143.08551	2.0
144.98076	5.3
145.01665	2.4
145.03485	1.3
145.06488	1.5
145.10202	1.2
146.05002	1.6
146.99628	48.6
147.03252	2.2
147.04292	2.1
147.05840	1.4
149.01173	2.0
149.02908	1.2
149.06531	3.0
150.01813	1.3
151.04327	1.0
152.05017	2.5
153.00662	2.2
155.04668	8.5
155.54791	1.3
156.98062	1.3
158.01192	1.3
158.99596	3.0
159.03250	2.5
159.08018	2.2
159.11671	1.2
161.01309	4.7
161.02898	6.5
162.99156	11.7
163.00476	1.7
163.02759	5.1
163.03880	2.2
164.05141	2.9
165.00714	100.0
166.02859	1.3
170.01207	2.1
170.99660	1.6
171.01363	1.1
173.01286	1.4
173.02917	3.1
173.05713	1.4
173.13278	1.9
174.09081	1.3
174.99138	4.1
175.03943	2.3
177.00706	6.5
177.04317	3.0
179.02394	1.3
181.00185	7.3
181.03407	1.3
183.01750	19.5
185.06424	1.5
186.99176	2.3
187.02678	1.1
187.07607	1.4
187.11133	4.4
188.02266	4.6
189.00763	1.4
189.09140	2.3
191.02225	1.4
191.03960	1.2
193.00127	2.8
199.01158	1.2
201.00647	2.5
201.02415	4.2
201.05650	1.8
201.12703	3.2
203.07533	2.0
205.00174	36.3
205.01704	1.8
205.03664	2.3
207.01810	1.4
214.02238	1.1
215.03934	1.8
219.01753	3.2
219.03494	2.5
221.05089	1.6
223.01227	54.4
223.04823	3.3
223.57050	1.2
224.04204	1.3
224.06270	2.7
228.01749	2.4
229.04970	1.8
229.08612	1.4
229.12262	3.3
231.94121	1.0
232.99670	0.9
233.02690	1.2
237.02768	4.8
241.02235	5.9
246.02827	3.3
246.57480	1.6
247.06259	12.7
247.09636	2.1
247.13275	2.7
247.16805	1.2
265.02084	1.4
265.05856	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	247.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39772	1.0
61.02922	1.3
64.17059	1.0
66.37164	0.9
67.44127	1.1
69.22871	6.4
69.23303	5.2
101.00880	7.6
103.00641	1.6
119.01915	16.6
120.01923	1.2
121.01663	3.6
125.87342	0.9
131.01866	1.4
133.03432	2.1
137.02921	1.9
139.02657	1.2
145.01569	1.1
145.03456	1.5
168.99832	1.6
187.00880	3.2
187.02570	3.2
205.03796	1.3
215.00328	6.1
229.03178	32.9
229.12387	1.3
232.05518	1.1
247.04256	100.0
253.78630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0598
Annotation	hispidin
Peak:m/z	Relative Intensity
55.01863	3.3
55.05489	0.5
57.07066	1.0
57.24790	0.4
60.38886	0.4
65.03928	0.9
66.34039	0.4
67.05486	1.0
68.99780	9.9
69.03421	1.6
69.07047	0.7
71.04954	0.5
71.52535	0.4
71.52937	0.5
79.05460	1.5
81.03403	2.3
81.07043	1.7
83.04978	0.4
85.02913	1.9
89.03899	0.6
91.05454	3.1
93.07012	0.6
95.04968	1.0
95.08582	0.5
97.02877	0.8
101.02380	0.4
103.05449	1.6
105.07047	2.3
107.04945	4.0
107.08580	1.0
108.05611	0.4
109.02843	1.6
109.06505	1.0
109.10156	0.4
111.00793	6.3
111.04440	1.1
115.05441	4.1
116.06316	0.4
117.03397	0.6
117.06994	2.8
119.04919	0.8
119.08561	0.7
121.02840	3.1
121.06456	0.8
121.10126	0.6
123.04425	2.1
123.08115	0.5
124.07545	0.9
125.07909	1.3
127.03883	0.8
128.06201	1.3
129.07014	2.1
131.04942	2.9
131.08563	2.1
133.06479	1.3
135.04395	5.0
135.08023	0.6
137.02330	7.4
137.03398	0.6
137.05949	1.1
139.03958	0.5
141.06985	2.9
142.07635	0.5
143.04904	2.1
143.08546	2.0
144.05768	0.5
145.02823	1.2
145.06470	6.0
145.10080	1.2
146.05968	0.5
147.04378	1.1
147.07990	0.6
149.05991	1.5
153.01825	5.5
155.03555	0.7
155.04887	5.4
155.06082	1.1
155.08614	0.8
157.06480	0.9
157.10126	0.7
158.07254	0.7
159.04376	1.7
159.08047	2.6
159.11629	0.7
160.05151	1.1
161.05933	1.5
161.09598	0.6
162.04065	0.7
163.03889	9.7
163.07558	1.8
168.09311	0.7
169.06462	3.5
171.04391	2.0
173.05951	8.3
173.09605	0.7
173.13266	0.7
174.06657	1.0
175.03926	2.7
175.07448	2.5
176.04680	0.8
177.05452	2.0
183.04393	2.7
183.11681	1.3
184.05188	0.5
185.05965	0.5
186.06793	0.9
187.03893	2.6
187.07530	2.7
187.11255	3.1
189.09094	1.9
191.03316	0.5
191.07031	2.8
196.05199	0.5
197.05957	1.2
198.06653	0.8
199.07516	0.8
200.04625	1.1
201.05391	13.1
201.09032	2.9
201.12714	2.0
203.07031	4.2
205.04968	1.4
205.08505	0.5
211.03983	0.4
211.07497	1.1
211.11168	0.8
215.07047	0.8
217.08511	0.6
219.06496	2.4
219.10214	0.5
228.03969	0.6
229.04947	17.9
229.08423	4.6
229.12131	2.6
245.04343	1.0
247.05998	100.0
247.09924	3.1
247.12837	3.1
248.06346	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1326
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03935	5.8
55.05507	3.9
57.07072	57.6
65.03922	4.6
67.05497	4.8
69.03421	24.3
69.92497	8.5
79.05483	9.7
79.79286	2.1
81.03409	7.8
81.07043	7.5
83.04964	18.3
85.02883	6.8
85.06527	6.6
91.05476	14.8
93.03397	4.3
93.07029	13.8
95.04979	5.7
97.02884	11.4
98.21449	2.7
103.07554	3.2
105.07030	14.4
107.04951	3.3
107.08605	12.4
109.02865	16.6
109.06509	11.2
109.10155	4.3
111.04426	5.5
115.05460	4.1
117.06990	14.6
119.08572	16.8
121.02888	5.0
121.06494	16.7
121.10150	7.8
123.08034	4.4
127.03894	4.3
128.06210	4.7
129.06972	5.5
131.08559	18.5
132.05663	3.7
133.10127	7.4
135.08035	28.5
137.05952	4.1
137.09622	2.9
141.06938	2.9
142.07803	3.0
143.08557	9.6
144.09296	9.1
145.06474	13.6
145.10158	9.0
146.07298	1.9
147.08014	5.7
149.09612	22.5
151.07462	2.3
151.11116	5.9
153.06953	2.7
155.08521	4.7
157.10075	3.3
158.10889	13.7
159.08052	12.7
159.11687	28.4
160.08813	5.1
161.09625	4.4
163.07516	23.3
163.11200	2.1
168.09334	5.6
169.10075	2.6
170.10863	5.2
171.08052	9.4
172.08818	17.2
173.05917	2.3
173.09621	33.1
173.13257	32.7
177.09102	2.2
183.11662	10.8
185.09602	4.0
185.13268	3.1
186.10402	22.0
187.11160	100.0
191.07021	43.1
196.08783	5.4
201.12726	52.5
205.12221	7.0
211.11101	9.7
214.09990	2.7
219.13785	6.8
229.10136	4.1
229.12238	60.2
243.83635	2.0
247.05907	2.6
247.13287	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1327
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03930	4.6
55.01861	3.9
55.05504	9.4
57.07067	8.9
65.03934	4.7
67.05483	7.8
68.99764	1.8
69.03422	21.4
69.07044	5.3
69.95757	3.8
69.96175	5.1
79.05486	11.5
81.03404	3.2
81.07051	20.5
83.04974	18.0
83.08588	2.9
85.02870	1.5
85.06536	3.4
91.05467	20.5
93.03393	5.7
93.07034	18.5
95.04938	5.7
95.08598	12.9
97.02882	7.7
103.05458	2.6
105.07021	15.3
107.04988	3.4
107.08576	23.4
109.02863	16.3
109.06506	12.5
109.10130	9.1
111.04419	5.4
111.08037	1.8
115.05451	7.0
116.06233	1.7
117.07012	10.6
119.08563	18.6
121.02843	5.9
121.06488	16.7
121.10118	9.1
123.08064	3.1
123.11713	3.2
128.06210	5.0
129.07022	9.5
130.07767	3.0
131.04848	1.6
131.08549	21.4
132.05695	3.9
133.06470	3.0
133.10109	8.2
135.08040	32.9
135.11676	4.4
137.05969	5.0
137.09595	3.7
137.13228	2.1
139.03815	2.5
141.06969	5.0
143.08522	12.4
144.05663	2.2
144.09303	10.7
145.06488	14.7
145.10124	12.6
147.08038	5.0
149.06021	3.4
149.09589	24.2
149.13231	5.1
150.10397	2.9
151.11172	4.3
153.06935	3.4
154.31444	1.7
155.08542	5.7
156.09370	2.1
157.06470	3.0
157.10091	2.4
158.07309	2.5
158.10892	10.8
159.08047	17.0
159.11658	28.4
160.08801	6.2
161.09619	4.8
163.07530	25.2
163.11220	1.8
163.14754	3.0
168.09323	4.9
169.10097	3.7
170.10880	5.2
171.08034	11.0
171.11664	2.4
172.08817	22.6
173.05948	3.6
173.09605	30.2
173.13254	35.0
175.03883	3.5
175.07610	2.5
177.16373	2.1
183.11662	11.4
185.09491	2.6
185.13164	2.6
186.10387	28.8
187.07521	6.0
187.11162	100.0
188.11592	2.6
189.09035	4.5
191.07008	40.8
191.08490	1.8
191.17943	2.0
196.08852	5.5
198.96985	2.4
201.05461	2.3
201.12729	58.2
203.10587	2.5
203.14333	2.5
205.08615	2.6
205.12222	5.6
211.11180	10.8
214.09804	2.6
219.10191	2.0
219.13757	7.3
229.04892	3.6
229.08757	2.8
229.12213	65.9
247.05782	9.9
247.09515	4.9
247.13280	84.6
247.16881	3.5
247.24283	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	247.1438
Annotation	Hypaphorine
Peak:m/z	Relative Intensity
53.20325	0.3
55.05497	0.4
56.05015	0.7
56.96557	3.9
57.07058	0.4
58.06599	0.5
67.05491	0.5
68.05015	0.5
69.07085	0.3
70.06585	1.3
70.83596	0.9
71.07357	1.3
78.04666	0.5
79.05478	0.7
81.07051	0.8
91.05473	1.3
93.07022	0.8
95.04959	0.4
98.97658	0.3
105.07025	1.0
107.04926	0.7
107.08625	0.4
109.07633	9.5
115.05480	0.7
116.06207	0.3
117.07002	0.7
119.08541	0.6
121.06499	1.1
124.05211	1.0
128.06186	0.5
129.06963	0.6
130.07755	0.4
131.03622	0.4
131.04926	0.5
131.08525	0.9
132.04466	0.7
132.05650	0.5
133.01683	0.5
133.05209	1.2
133.06383	0.6
134.05901	0.4
139.07526	1.2
143.08549	0.7
144.05673	0.3
145.06447	0.8
145.10135	0.6
146.06107	0.4
146.07266	1.3
147.06793	0.6
147.08005	0.8
148.07478	0.5
149.05995	0.5
151.07526	4.5
158.06052	0.5
158.07281	0.8
159.08052	0.9
159.11662	0.4
160.07562	1.8
161.04782	0.8
161.08386	0.6
162.05508	1.4
162.06747	0.7
162.09119	0.9
163.06313	0.4
163.07529	0.8
164.07014	0.4
164.08305	0.8
165.09145	0.8
166.08575	2.6
171.08069	0.5
172.07495	0.5
172.08804	0.8
173.05908	0.7
173.08334	0.7
173.09604	0.8
173.13074	0.4
174.09148	1.5
175.03842	1.1
175.09918	2.2
175.11218	0.4
176.07054	37.3
177.06522	0.7
177.07768	1.8
177.09119	4.5
178.08539	2.3
179.10661	0.8
184.07578	0.9
186.09082	0.8
187.07330	0.5
187.08720	0.6
187.11217	0.5
187.14722	0.5
188.06886	0.4
188.08340	1.3
189.07690	0.5
189.09120	1.0
189.11511	2.0
190.09923	0.9
190.12057	0.4
191.09415	1.5
192.08891	1.1
192.10332	0.7
193.10956	2.8
198.09166	0.6
199.09946	1.5
200.07085	0.7
201.10352	3.6
201.12801	0.7
203.08086	1.6
203.10373	0.7
203.11810	1.6
204.10245	1.9
206.07982	0.3
206.11777	1.1
214.08727	1.9
214.10469	0.5
215.11734	0.9
216.10437	0.7
216.12560	7.2
216.14534	0.6
216.57649	0.4
217.09732	5.5
217.11887	0.7
218.10526	1.4
219.13710	0.6
220.13312	3.4
224.08800	2.0
224.58884	0.4
229.04977	0.4
229.08528	0.5
229.12221	1.5
230.11713	6.7
231.11252	11.4
232.12105	5.1
247.06003	1.8
247.14412	100.0
248.14780	2.0
269.06769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2419
Annotation	Estrane
Peak:m/z	Relative Intensity
53.03937	2.7
55.05256	1.8
55.05505	19.5
57.07074	20.9
65.94933	1.3
67.05177	2.1
67.05502	27.6
68.99767	1.2
69.07065	36.0
69.65259	4.5
69.65688	3.1
71.08624	5.5
72.02459	1.1
79.05070	1.7
79.05495	25.4
81.03397	1.9
81.07053	61.4
83.08620	19.7
85.02917	2.1
85.06538	2.0
85.10175	1.8
88.94475	1.0
91.05479	9.9
93.07040	57.9
95.04943	2.2
95.08604	70.0
97.10150	8.6
98.20844	1.7
105.07069	7.3
107.08588	69.4
109.02832	1.1
109.06495	2.7
109.10148	41.2
109.97488	1.3
111.11722	2.2
115.05380	1.4
119.08555	2.7
121.02792	1.5
121.10139	48.2
123.11691	15.7
131.08530	1.9
135.11684	47.9
137.13269	9.4
143.08559	1.8
145.06448	1.5
145.10135	1.5
147.11662	1.7
149.13254	59.6
151.14828	9.1
159.08073	2.2
160.83476	1.1
163.13419	2.0
163.14801	33.8
164.44151	1.1
165.16376	7.7
175.03844	1.7
177.16373	24.3
187.14899	1.5
191.08508	1.5
191.17926	21.9
205.19510	3.0
217.38936	1.3
229.04791	1.3
229.12166	1.9
247.05984	6.7
247.09683	2.1
247.13329	3.1
247.24203	100.0
248.24619	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75330	16.1
69.83427	100.0
94.93013	74.5
98.97570	44.1
100.64851	17.7
101.00885	29.8
102.46696	18.2
103.04429	20.4
116.98642	24.7
119.01900	54.3
161.02960	29.1
207.01678	18.4
210.01248	19.4
249.03790	71.6
249.08363	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72346	1.1
56.96531	1.3
58.69194	1.0
70.14025	1.8
70.14418	2.7
71.80656	1.1
74.51842	1.1
82.32966	0.9
82.99821	1.8
85.41886	1.0
98.97584	2.4
101.00872	31.1
103.02439	1.5
111.28043	1.1
116.98593	1.2
119.01907	100.0
120.02032	1.1
121.03376	1.0
127.02430	1.5
131.01880	8.6
137.02948	23.4
142.03497	1.7
143.01881	16.3
145.03450	13.4
149.02974	1.6
152.43073	1.1
157.03429	2.3
159.01379	10.9
161.02942	63.8
162.02989	1.4
162.93385	1.1
163.04503	3.1
171.01341	5.8
173.02939	4.4
175.04451	1.2
177.02425	23.7
179.03975	3.0
184.04553	2.4
189.02419	56.9
191.04054	6.4
201.02408	7.9
207.03474	21.6
212.04030	1.9
219.03552	8.2
231.03551	2.8
235.01341	1.7
249.04539	25.1
267.05408	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1118
Annotation	Microhelenin F
Peak:m/z	Relative Intensity
55.01845	2.1
55.05490	2.1
55.59184	0.8
57.03426	1.9
59.57486	0.8
65.03914	1.0
67.05480	2.9
69.03408	2.8
69.07042	2.5
69.75555	4.9
79.05471	3.1
81.03425	1.5
81.07041	4.1
85.02894	1.9
91.05466	10.0
93.07030	4.4
95.04951	3.6
95.08575	3.4
97.02863	1.6
97.06500	1.8
103.05431	1.5
105.07015	8.2
107.04925	3.5
107.08565	2.8
109.06484	1.8
109.10132	2.2
115.05430	6.8
116.06225	4.8
117.07016	6.6
119.04909	2.1
119.08554	4.4
121.06474	2.1
121.10098	1.2
123.04366	1.0
128.06204	11.4
129.06990	23.4
130.07738	1.0
131.04893	2.8
131.08540	20.4
132.05669	2.3
133.06476	5.2
133.10098	3.7
135.04355	1.1
135.11639	1.6
136.11151	0.9
141.06981	9.3
142.07788	4.3
143.04918	1.3
143.08557	4.4
144.05672	10.6
145.06471	7.6
145.10124	1.9
146.07253	3.7
147.04367	8.9
147.08038	2.8
147.11668	2.1
149.05904	1.1
153.06912	2.5
155.06007	1.6
156.05692	2.0
157.06465	10.4
158.07262	3.2
159.04405	1.9
159.08028	28.2
159.11656	1.8
160.05161	2.6
161.05952	5.2
161.09557	9.7
161.13214	1.4
163.07585	1.0
167.07048	1.2
169.06375	1.5
169.07629	2.6
170.07278	7.7
171.04390	1.4
171.08025	5.6
171.11600	1.4
172.05206	4.0
173.05963	5.9
174.06744	3.9
175.07520	5.8
175.11296	0.9
177.05405	2.1
177.09081	1.7
179.10692	1.0
185.05923	1.2
185.13284	1.1
187.07520	17.5
188.08255	2.1
189.05441	4.6
189.09090	14.0
189.12712	2.0
189.16403	1.8
190.06265	3.0
191.07022	2.8
193.08566	2.4
198.06689	1.6
199.07478	2.4
201.05423	1.9
203.07002	7.4
203.14284	1.1
204.07816	13.3
205.08562	9.4
206.09293	1.8
207.10075	1.6
216.07716	4.2
217.08563	2.4
218.09334	2.1
219.10114	2.4
221.08032	2.0
221.11719	8.2
231.06514	1.5
231.10074	8.1
231.13791	2.1
234.08820	1.5
249.07466	4.3
249.11194	100.0
249.14737	5.3
249.18245	4.7
250.11496	1.6
250.18196	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.05488	1.1
57.03430	1.0
67.05495	2.4
69.03419	1.8
69.07066	1.5
69.96189	4.3
71.05003	0.8
79.05478	2.2
81.07039	1.9
85.06461	0.7
91.05468	7.7
93.07023	1.9
95.04928	1.5
95.08560	0.8
97.02853	0.8
98.97553	0.7
103.05449	0.8
105.07022	5.5
107.04924	2.5
107.08589	1.8
109.06455	0.8
110.06052	2.3
115.05431	6.2
115.59486	0.8
116.06246	4.4
117.07020	4.8
119.08559	2.5
121.06466	1.3
121.10149	1.1
123.08091	1.2
124.07593	2.4
125.08367	2.3
126.09142	2.1
128.06198	9.8
129.07001	20.6
130.07716	0.9
131.04913	2.5
131.08559	20.9
132.05672	1.4
133.06512	3.8
133.10101	2.4
135.07996	0.8
141.06981	10.6
142.07780	4.5
143.08580	3.8
144.05676	9.8
145.06490	7.8
145.10152	1.2
146.07262	4.7
147.04401	2.3
147.08008	1.5
147.11694	0.9
152.06241	1.9
153.06958	2.2
155.05997	2.0
156.05682	2.0
157.06459	10.7
158.07210	2.6
159.08041	28.7
160.05174	1.2
161.05954	5.5
161.09601	8.8
163.07530	1.5
167.06987	1.3
169.06395	1.8
169.07614	2.7
170.07260	8.4
171.04335	1.2
171.08032	8.3
172.05075	3.5
173.05959	4.9
174.06772	3.1
175.07550	4.1
177.05414	0.8
178.06215	2.1
184.05214	1.2
185.05901	1.4
186.06830	1.1
187.07527	19.9
188.08264	1.4
189.05431	2.8
189.09106	10.7
189.16411	0.9
190.06229	1.8
191.07068	1.4
193.08554	1.2
198.06741	1.4
199.07512	2.6
201.05354	1.5
203.07047	6.0
204.07806	14.9
205.08607	3.1
206.09290	1.6
216.07773	3.2
217.08562	1.4
218.09415	1.6
219.10117	3.3
221.11716	3.2
231.10136	7.3
231.14844	2.8
234.06694	0.9
234.08881	1.1
244.19511	0.8
249.11206	100.0
249.15697	4.0
249.18466	2.0
250.11574	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1118
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
54.60568	0.6
55.01843	0.8
55.02735	0.7
57.01831	0.5
60.65599	0.6
66.62720	0.5
69.03403	1.2
70.79290	1.2
77.22803	0.6
85.17169	0.7
91.05470	5.6
96.51440	0.6
103.05483	1.6
105.07011	3.0
107.04938	2.1
115.05412	5.6
116.06215	3.4
117.06985	2.6
119.04921	0.6
128.06210	9.0
129.06979	19.8
130.07736	1.0
131.04900	2.3
131.08551	16.4
132.05736	0.8
133.06468	2.8
133.10107	1.7
137.16559	0.6
141.06979	9.2
142.07770	4.0
143.08514	3.1
144.05676	10.1
145.06465	6.1
146.07210	3.5
147.04329	1.9
147.07986	0.8
152.06177	0.9
153.06934	1.8
155.06001	1.6
156.05688	1.8
157.06462	9.2
158.07245	2.1
159.08031	27.9
160.05182	1.2
161.05956	3.6
161.09586	7.7
167.06978	0.8
169.06396	0.8
169.07637	2.2
170.07237	7.7
171.04305	1.5
171.08026	6.3
172.05167	4.0
173.05972	4.3
174.06726	2.0
175.07524	2.2
177.05374	0.8
181.06454	0.8
185.05904	0.7
187.07536	17.7
188.08287	1.1
189.05467	3.0
189.09091	8.8
190.06233	1.3
191.06992	2.1
198.06718	1.8
199.07506	2.7
201.05464	1.1
203.06992	6.1
203.15474	1.0
204.07806	10.9
205.08548	2.1
206.09317	0.9
216.07793	3.8
217.08635	1.0
218.09378	1.5
219.10182	1.6
221.08067	0.8
221.11691	3.6
231.10104	6.2
231.14954	0.7
234.08861	0.9
249.11183	100.0
250.11485	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.112
Annotation	Microhelenin F
Peak:m/z	Relative Intensity
51.02373	1.2
55.01837	1.4
55.05503	3.4
57.03424	1.5
65.03946	1.4
67.05500	2.3
69.07066	1.4
69.35322	0.9
71.52309	2.2
73.97031	1.1
79.05470	2.9
81.07076	1.7
82.96230	0.9
83.04979	13.0
91.05479	16.2
93.07030	2.8
95.04943	1.9
102.04688	2.1
102.73012	1.0
103.05452	10.7
104.06226	2.0
105.07028	9.8
107.04939	4.4
107.43997	0.9
108.05705	1.1
109.06530	2.2
115.05453	16.2
116.06214	3.8
117.07019	18.9
118.04134	1.3
119.04961	5.2
119.08537	3.6
121.06499	28.3
121.10107	1.2
123.04405	1.4
127.02941	0.9
128.06223	2.8
129.07002	9.6
130.04149	3.4
131.04916	33.4
131.08539	3.3
132.05708	16.4
133.06482	15.6
133.10069	1.6
134.07239	3.0
135.07976	1.2
135.11777	1.3
136.05229	1.4
137.05977	2.9
138.06767	1.7
139.07526	3.6
143.08554	1.4
144.05724	2.3
145.06487	20.5
146.07256	100.0
147.04396	7.2
147.08057	9.9
149.05923	2.6
149.09612	2.3
150.10010	1.2
151.07510	8.1
153.05525	1.1
157.06476	3.2
157.10080	1.3
158.07265	2.7
159.04422	1.2
159.08046	6.7
160.05179	10.0
160.08806	5.6
161.05972	24.4
161.09586	7.3
162.06749	20.0
162.13315	1.1
163.07529	1.1
165.05466	2.2
165.09088	1.6
167.07030	11.2
172.08800	6.5
173.05959	7.0
174.06683	5.0
175.07526	34.3
176.08310	23.0
177.05536	2.8
177.09099	92.7
179.07060	1.9
187.07497	1.3
188.08325	14.1
189.09128	12.0
190.09850	7.8
191.07008	5.9
191.10643	8.2
192.07750	2.3
193.08571	1.2
203.06992	2.7
203.10646	7.3
205.08595	8.2
206.09415	2.0
218.09419	1.2
219.10211	4.3
220.10965	3.3
221.11697	15.7
231.10246	1.9
249.11185	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.112
Annotation	2-Hydroxy-1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-ethanone
Peak:m/z	Relative Intensity
67.05499	0.5
69.03407	0.2
69.27485	0.4
69.27895	2.3
71.04977	0.3
79.05492	0.4
80.73711	0.2
81.07054	0.9
83.08606	0.3
90.71375	0.3
91.05466	3.5
93.07027	0.6
95.08598	0.9
103.05457	0.5
105.07022	2.2
107.04928	0.5
107.08591	0.3
109.10136	0.4
112.08679	0.3
115.05440	0.7
116.06216	0.6
117.07052	0.6
118.07769	0.6
119.04905	0.4
119.08566	0.7
121.06498	1.6
123.04459	0.3
123.43867	0.2
128.06171	2.0
129.06993	8.7
130.07796	0.5
131.04948	1.3
131.08557	6.8
133.10135	1.8
136.89818	0.3
141.06946	0.5
143.08540	0.5
144.05663	0.5
145.06490	1.1
146.07254	5.8
147.04417	0.3
147.08054	1.3
147.11607	0.4
149.05972	2.2
151.07532	0.3
157.06482	3.8
158.07292	2.0
159.04381	0.8
159.08035	4.0
159.09239	0.4
161.05965	0.5
161.09602	16.4
171.08037	1.0
172.08749	0.4
174.06752	10.0
175.07515	1.2
176.08369	0.4
177.05443	0.8
177.09073	0.4
188.08177	0.3
189.09088	100.0
190.09454	1.5
192.07938	0.4
199.07480	0.6
202.06274	0.5
203.10602	0.6
217.06815	0.2
217.08571	16.1
249.11197	45.5
249.18225	1.7
250.11285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1481
Annotation	2-Oxoverboccidentafuran
Peak:m/z	Relative Intensity
50.17324	1.9
53.03943	5.2
55.05515	7.9
57.03429	27.8
57.07064	15.8
58.77003	1.5
67.05498	4.9
69.03435	2.5
69.07042	3.1
70.36445	1.9
71.52836	2.4
71.53228	2.3
72.96752	1.7
79.05483	10.8
81.07041	6.3
83.04991	2.4
83.08588	3.9
91.05472	7.0
93.07031	10.7
94.04214	3.1
95.04954	5.1
95.08590	5.6
105.07015	5.3
107.04971	3.1
107.08578	6.9
109.06540	2.9
109.10162	2.1
111.08077	16.5
117.07031	2.4
119.08574	4.6
121.06521	3.8
121.10132	5.4
122.03631	4.7
123.08095	3.2
124.05170	3.4
126.16082	1.8
129.06993	4.0
131.04930	2.8
131.08530	3.7
133.06511	2.5
133.10120	4.9
135.11641	3.1
136.05183	4.7
137.05954	7.5
138.06743	3.6
139.07501	3.1
143.08475	3.9
144.05647	2.3
145.06508	3.6
145.10129	3.2
146.07268	2.9
146.10666	1.6
147.07994	4.7
147.11664	3.0
149.09619	2.1
150.06781	3.5
151.07536	27.2
154.81177	1.8
155.07001	6.5
157.10114	3.3
158.07245	1.8
159.08080	4.8
161.05975	5.1
161.09616	4.2
161.50836	1.7
163.14815	1.9
165.05461	100.0
165.06850	4.9
165.09088	18.9
172.08885	3.0
173.09636	3.1
174.06706	3.8
175.07520	3.9
175.11189	3.6
176.08316	2.9
177.09061	4.8
178.09880	3.9
179.10666	13.2
185.09590	3.1
187.07576	4.4
189.09106	7.7
189.12753	2.6
191.10669	2.2
193.12239	26.3
200.11922	7.4
201.09087	4.6
202.09891	11.9
203.10619	13.6
207.10097	15.0
216.11458	7.6
231.10263	1.8
231.13768	21.3
231.17288	2.3
249.07489	2.8
249.11211	5.2
249.14874	33.9
249.18503	48.9
250.10733	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	249.1484
Annotation	(+)-Terrecyclic acid A
Peak:m/z	Relative Intensity
53.03943	3.3
55.01857	10.2
55.05509	20.1
57.03430	3.2
57.07056	4.5
59.04986	5.8
65.03946	2.9
67.05502	31.0
67.05839	3.7
69.03422	21.7
69.07068	11.9
71.01344	2.4
71.04987	10.8
71.08636	2.0
71.52905	1.6
71.53619	1.8
79.05489	38.1
81.03406	12.0
81.07050	38.0
83.04970	9.5
83.08602	7.2
85.02895	14.2
85.06525	5.9
87.00815	2.5
87.04449	2.5
91.04887	2.7
91.05472	52.9
93.07037	51.1
95.01328	2.0
95.04965	20.2
95.08593	32.8
97.02888	7.8
97.06531	5.3
98.07883	1.6
98.97557	1.9
99.04435	3.8
100.92042	1.8
103.05482	6.0
105.07021	56.4
107.04962	10.1
107.08585	35.8
109.02850	7.6
109.06528	10.7
109.10149	20.9
111.04463	9.6
111.08086	4.2
113.06011	2.0
115.05431	12.5
116.06213	6.3
117.07005	20.3
119.04969	3.9
119.08569	59.1
121.06487	17.1
121.10137	35.2
123.04443	17.5
123.08059	11.1
123.11734	4.8
124.07590	2.2
125.05972	2.5
125.09518	2.0
127.07533	4.0
128.06213	14.4
129.06117	3.1
129.06999	28.4
130.07755	3.6
131.04932	6.0
131.08554	32.4
132.05727	2.7
133.06482	21.9
133.10126	50.0
135.08025	11.8
135.11687	19.8
137.06004	4.3
137.09607	7.5
139.07535	3.0
141.06985	10.3
142.07776	8.8
143.08542	20.0
144.05679	15.4
144.09314	2.3
145.06488	12.9
145.10109	24.7
146.07259	3.6
147.04413	5.8
147.08038	24.3
147.11688	29.2
149.05966	2.5
149.09616	12.0
149.13246	8.6
151.07553	12.3
151.11176	2.6
152.06212	2.0
153.09094	2.0
155.06058	3.8
156.09354	5.1
157.06476	14.7
157.10147	15.4
158.07291	3.0
159.08038	37.2
159.11653	12.0
161.05963	7.7
161.09607	26.7
161.13261	12.2
162.10422	2.5
163.07527	10.3
163.11162	5.3
165.06982	5.6
165.09155	7.2
165.12720	4.8
167.10686	6.6
169.07658	2.0
170.07274	7.7
170.10890	2.9
171.04427	3.8
171.08047	11.7
171.11641	12.5
172.05144	3.0
173.05952	6.4
173.09570	5.0
174.06754	4.2
175.07533	22.8
175.11186	10.4
175.14824	3.6
177.05521	3.5
177.09076	4.7
177.12698	2.7
178.06136	2.2
178.07709	2.1
179.07039	3.1
179.10670	8.1
180.09380	2.8
183.08098	2.0
185.13235	14.3
187.07538	18.3
187.11194	5.7
187.14734	5.0
189.05414	4.4
189.09097	14.7
189.12756	17.0
189.16380	31.7
190.06216	2.1
191.06978	3.6
191.10680	6.3
193.08601	18.8
193.12204	6.4
195.11725	6.7
198.10394	3.7
199.07538	5.2
203.07103	9.3
203.10760	2.0
203.14241	12.1
203.18011	6.4
204.07825	11.8
205.08582	4.1
207.13759	8.5
213.12746	31.5
213.16263	11.2
216.07787	5.9
219.10172	3.6
219.13788	2.5
221.11623	3.4
221.15268	2.5
231.10162	8.2
231.13771	39.7
231.17310	12.6
249.07472	5.6
249.11218	100.0
249.14845	52.5
249.18494	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1846
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
55.01854	4.4
55.05513	10.7
56.96549	2.5
57.07069	4.3
64.12743	2.0
65.03927	2.9
67.05498	26.7
69.03424	2.5
69.07061	16.0
69.77263	6.8
69.77679	5.9
71.04989	3.5
79.05485	15.5
81.03432	2.3
81.07053	34.2
83.04977	3.0
83.08603	7.0
83.22068	2.2
85.06565	3.6
91.05470	17.4
93.07040	25.5
95.04948	7.0
95.08595	60.4
98.20821	3.7
101.61494	2.6
103.05460	2.0
105.07019	32.0
107.04942	2.2
107.08582	33.1
109.06520	4.5
109.10145	45.3
111.08043	3.7
112.43360	2.2
115.05439	3.2
117.06995	2.4
119.08575	36.3
121.06516	3.4
121.10130	22.0
122.35120	2.0
123.08034	3.9
123.11719	13.4
125.05992	2.7
128.06207	3.5
129.06990	5.5
131.04932	2.6
131.08565	7.2
133.06458	2.0
133.10121	33.3
135.08040	4.6
135.11703	12.0
137.09584	4.5
139.07545	2.8
143.08507	3.0
145.06464	3.1
145.10103	7.4
146.07219	4.1
147.08046	4.3
147.11658	53.9
149.09615	2.3
149.13243	7.3
150.22585	2.0
151.07542	9.4
157.06396	3.3
157.10153	10.1
159.08058	4.7
159.11748	3.5
161.05957	4.4
161.09592	8.2
161.13266	14.6
165.05452	5.3
165.09109	2.4
171.11707	6.5
172.08832	3.6
173.13237	3.1
175.07484	3.2
175.11198	9.2
175.14778	8.1
177.09111	2.2
179.10687	8.2
185.13382	3.3
187.07632	3.1
188.08296	5.8
189.05452	3.7
189.09019	4.8
189.12703	3.7
189.16377	2.9
191.14311	3.0
193.12245	13.4
203.07092	3.1
203.10609	13.8
203.17932	100.0
204.07690	2.0
213.16301	22.5
231.06456	2.8
231.10086	4.2
231.13834	4.8
231.17404	50.0
231.20978	3.5
249.07544	4.3
249.11227	12.6
249.14764	8.2
249.18445	53.4
249.22153	3.1
250.10724	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	249.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01845	0.7
55.05505	12.0
57.07070	11.8
65.03925	1.2
67.05499	34.5
69.03406	0.8
69.07063	20.9
70.78289	1.0
71.08633	3.5
79.05474	6.4
81.07047	74.1
83.04984	0.6
83.08612	15.1
85.10179	1.8
91.05479	4.5
93.07027	4.5
95.04952	1.5
95.08597	100.0
96.08948	0.9
97.10167	9.4
103.05448	0.8
105.07024	3.2
107.04926	1.9
107.08556	2.8
109.06468	1.0
109.10146	50.6
110.10475	0.8
111.04346	1.1
111.11716	4.0
115.05448	3.1
116.06206	1.5
117.06998	2.6
119.08585	2.8
121.06516	1.0
121.10126	1.5
123.11694	31.3
124.12024	0.8
128.06229	5.1
129.07010	9.9
131.04921	1.2
131.08565	9.9
132.05754	0.7
133.10101	1.7
135.08026	0.7
135.11673	1.1
135.84705	0.6
137.09598	0.9
137.13248	12.3
141.06955	4.1
142.07773	1.7
143.08546	2.8
144.05681	4.6
145.06552	2.9
145.10088	1.0
146.07222	1.9
147.04376	0.9
147.08070	3.2
147.11734	1.1
149.13214	0.6
151.14766	5.2
152.06203	0.8
153.06958	1.1
155.05959	0.9
156.05724	0.7
157.06502	4.7
158.07219	0.8
159.08037	12.9
160.05167	0.8
160.08533	0.8
161.05882	3.0
161.09616	3.8
163.07440	0.7
165.16365	4.4
169.06438	1.1
170.07198	3.2
171.04362	1.0
171.08075	3.2
172.05147	2.0
173.05943	2.3
174.06720	1.6
175.07483	2.2
177.05386	0.9
178.06259	0.7
179.17926	2.4
187.07523	8.8
188.08226	1.8
189.05458	2.2
189.09073	5.3
191.07024	1.3
191.10695	0.8
193.08548	0.9
193.19539	2.6
198.06679	0.7
199.07440	1.0
201.05450	1.4
203.06976	3.4
203.10727	0.9
203.14365	0.7
204.07784	6.5
205.08519	1.2
216.07758	2.1
218.09331	1.1
219.10202	1.8
221.08063	0.8
221.11697	1.8
231.10130	4.1
231.13736	1.3
231.17332	1.0
249.11195	44.5
249.15170	1.7
249.18451	3.1
249.25743	19.8
250.11459	2.5
250.21890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1073
Annotation	Semecarpifoline
Peak:m/z	Relative Intensity
56.96564	0.8
57.07053	1.2
67.05486	1.8
69.26244	0.7
71.52475	1.1
79.05468	1.8
81.07035	2.9
82.07364	1.2
85.06504	0.7
88.86852	0.7
91.05463	6.3
93.07022	2.3
95.04939	1.9
95.08604	3.7
95.09116	0.8
96.08927	0.9
98.98459	39.5
103.05446	1.5
105.06995	2.6
107.04926	3.3
107.08603	0.8
107.85612	0.7
108.05717	1.6
109.10108	0.8
110.10453	1.3
116.99471	1.3
118.04156	1.1
119.04942	3.9
121.06485	7.1
121.10062	0.9
123.08054	2.0
130.07310	2.6
132.08890	1.7
133.06461	1.2
134.10489	1.0
135.04369	1.8
136.05167	3.9
138.06763	0.8
139.07495	1.4
146.05939	1.3
147.04355	3.4
148.03922	1.6
148.05153	3.6
148.07446	1.6
149.02306	1.6
149.05937	3.3
150.06734	1.9
151.06282	1.1
151.07527	21.1
158.06870	1.1
160.07384	1.2
160.08496	1.3
161.05975	0.7
161.08319	1.5
162.05469	6.9
162.06721	1.6
163.03851	1.5
163.06207	1.7
163.07527	1.5
164.04680	7.2
164.07100	0.9
165.09108	3.4
166.06242	2.3
167.06956	1.2
171.07512	0.8
174.05373	0.8
174.99178	1.7
175.07428	1.2
176.07045	11.9
177.04041	0.8
177.05469	1.7
177.07840	1.3
178.06219	2.4
179.07018	13.5
181.08566	4.8
188.06932	7.1
188.15158	0.8
190.04971	2.8
190.09438	1.6
191.05617	3.9
191.07140	1.8
191.09377	2.0
192.06485	3.1
192.10124	1.9
193.08415	1.1
203.58318	0.7
204.06406	4.4
204.10286	0.8
205.07228	14.1
206.08112	41.5
207.08618	1.7
209.08087	1.5
216.06494	2.2
217.07339	3.3
219.08875	0.8
220.09673	32.5
232.09685	14.4
232.13199	1.2
246.73949	0.7
250.10739	100.0
251.11264	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35026	1.3
53.03918	4.6
55.01855	2.3
55.05484	2.3
56.31619	1.1
56.96553	13.0
57.03435	10.6
57.62650	1.3
58.99850	3.1
59.04982	2.2
61.02638	1.8
61.02919	19.8
69.03078	1.8
69.03419	22.2
69.85140	6.4
70.99837	2.4
71.04988	7.2
73.02908	12.2
77.00886	3.9
80.35267	1.3
81.03412	10.6
82.01424	12.3
83.04960	2.2
85.02898	41.5
86.03237	2.2
86.82677	1.4
87.04436	3.8
89.00864	1.7
91.02426	2.9
91.03923	3.1
91.05445	1.6
91.92668	1.2
95.03417	1.5
97.02293	2.5
97.02883	35.8
97.03510	2.3
98.01228	1.4
98.97578	14.4
98.98452	10.0
99.04439	5.7
100.02474	45.3
101.00877	6.4
101.02401	2.4
103.00594	3.7
103.02405	2.2
104.03970	1.4
104.10715	3.4
105.11068	1.5
107.03403	1.3
107.04933	1.3
109.02844	5.2
110.03910	2.5
110.54026	1.3
110.97594	1.6
111.02868	2.4
111.06350	1.7
113.00916	1.4
115.02443	6.5
116.03941	3.8
116.98613	6.3
117.04698	2.1
118.03522	18.2
119.01918	16.2
119.04475	1.8
120.02017	1.6
121.01648	7.6
122.03857	2.3
125.04468	7.8
126.00720	2.0
126.98743	5.7
127.02417	2.0
127.03901	10.8
128.02336	1.5
128.04169	1.5
128.98567	2.8
129.02219	1.4
129.03955	3.7
131.01852	4.5
131.04448	3.2
132.00694	1.2
132.03377	2.2
133.01599	1.4
133.03453	20.2
134.03470	1.7
134.04991	2.3
134.05957	2.2
134.99655	2.3
135.03178	2.6
137.02890	2.4
137.04439	1.8
137.05951	3.6
139.02661	1.7
139.04135	2.1
140.04990	5.7
141.03030	1.9
141.03993	2.0
143.01854	4.4
144.99802	31.5
145.01599	1.8
145.03438	5.6
145.04930	6.2
146.04973	3.8
146.99593	3.5
147.01360	3.1
147.03183	3.2
147.05008	8.6
148.02042	1.7
148.03796	3.7
149.01184	1.6
149.02859	1.9
150.01773	2.3
150.03650	2.7
151.04514	2.4
152.04929	2.6
153.04066	1.5
154.98180	2.7
155.01862	2.1
157.02531	4.0
158.99615	1.5
159.03212	2.2
159.05002	10.6
161.01181	2.1
161.02887	6.2
161.05539	56.5
161.55595	10.5
163.00830	5.7
163.02682	4.8
163.04471	1.9
165.06056	1.9
167.02335	1.3
168.01414	18.9
169.55426	3.2
170.06149	55.9
170.56158	10.2
171.04974	3.0
172.99292	32.9
173.02931	3.6
173.04692	1.6
175.00740	1.4
175.02684	1.9
175.04514	2.1
176.04604	1.9
177.00861	2.3
177.02400	9.9
177.04237	3.6
177.05972	10.0
177.99919	2.2
178.06203	1.9
181.56863	9.5
182.06900	2.2
185.02867	1.9
186.02643	1.8
187.00845	4.2
189.06033	5.1
191.00345	25.6
191.02019	2.4
191.03889	2.2
192.31871	1.5
195.03471	1.9
195.05238	3.2
195.07117	8.8
196.00905	100.0
197.00983	4.1
200.04123	1.9
203.04022	2.3
205.00169	1.5
205.01894	8.1
205.03735	2.2
209.03284	2.7
210.02402	3.1
213.06026	1.9
214.01955	51.0
219.02344	2.5
219.05014	2.3
219.07115	26.6
220.07295	5.5
221.05080	3.1
223.02939	2.2
228.03493	46.2
231.07176	7.1
242.05249	2.2
242.07507	2.7
246.04570	8.3
251.07910	4.5
251.10138	2.4
251.16748	4.1
261.08041	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1274
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
50.24688	1.5
55.01834	1.9
55.27873	1.5
60.61602	1.6
65.70264	1.6
67.05478	4.0
69.03399	2.3
69.07056	1.5
70.86016	5.0
79.05435	5.6
81.03368	3.7
81.07024	3.2
82.70255	1.7
83.04953	2.5
91.05471	26.9
93.06989	6.7
95.04913	3.2
95.08574	3.8
98.98454	90.8
103.05396	6.3
104.06231	2.2
105.07004	13.6
107.04944	38.2
107.08580	3.2
111.34737	1.8
115.05443	29.3
116.06197	3.1
116.99413	2.8
117.07011	27.8
119.08504	6.0
121.06495	13.6
121.10072	2.0
128.06212	19.5
129.07004	33.9
130.07695	5.1
131.04929	10.2
131.05774	2.4
131.07631	3.2
131.08560	16.4
132.05714	10.2
132.08810	5.0
133.06383	7.6
133.09145	3.5
133.10075	3.2
135.11563	1.6
137.05888	4.1
138.06703	2.7
141.06979	27.6
142.07594	3.5
143.04898	11.5
143.07639	2.8
143.08557	17.1
144.05685	16.4
144.09250	5.5
145.06479	43.2
145.10103	15.7
146.07234	1.9
147.04356	1.8
147.08072	12.4
147.11665	1.8
149.05901	2.1
151.07431	3.2
153.06877	1.8
155.05919	6.1
155.08463	6.2
157.06436	14.7
158.07266	36.6
159.08107	14.4
160.05101	4.3
160.08231	5.7
161.05850	6.9
161.08549	7.0
161.09555	7.3
161.18709	1.7
163.11192	1.7
165.00925	1.7
167.06961	5.6
169.06380	10.0
169.07617	3.8
170.07170	1.9
171.07858	7.7
172.05042	2.7
172.08687	10.3
173.04646	2.0
173.05998	20.9
173.09624	43.4
174.06676	1.8
174.99077	4.0
175.07530	30.9
176.07390	1.9
177.05388	5.3
181.08594	27.8
183.09207	2.4
186.06616	6.6
187.07423	5.3
188.07947	2.6
189.05324	2.1
189.07574	2.4
189.08980	15.2
190.05745	2.6
191.06921	4.9
191.10744	3.3
192.07660	6.6
193.08580	4.1
200.08253	2.5
201.09091	50.5
203.06885	6.6
205.08643	15.1
206.08315	6.7
207.10150	17.8
218.09167	6.9
219.08150	3.4
219.10135	40.7
220.10274	2.6
221.11705	22.8
233.11714	100.0
236.08228	3.9
251.11833	84.1
251.16219	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	251.1277
Annotation	Lachnumfuran A
Peak:m/z	Relative Intensity
52.15171	0.2
53.03948	0.3
55.01867	0.4
55.05500	0.5
56.96553	0.9
57.03407	0.3
57.07060	1.0
59.04988	0.3
67.05492	2.0
69.07051	0.7
69.64429	1.0
69.64862	0.8
70.06607	0.3
71.08625	0.5
77.01577	0.6
79.05491	1.7
81.07056	1.3
83.04964	0.2
85.06532	1.0
86.06064	0.4
91.05490	1.2
93.07036	1.3
95.04955	1.0
95.08601	1.2
97.06531	0.6
98.06057	0.5
98.98454	100.0
103.05464	0.3
105.07021	1.1
107.04952	0.5
107.08591	0.7
109.06509	0.5
109.10110	0.3
115.05476	0.3
116.99489	3.0
117.07017	0.4
119.08572	0.7
121.06499	0.9
121.10113	0.6
123.04420	0.3
123.08019	0.3
123.11738	0.2
124.05178	0.4
125.05982	0.3
129.07037	0.3
130.07773	0.2
131.08525	0.8
133.06517	0.7
133.10092	0.3
134.07039	0.2
135.08031	1.0
136.05186	0.5
137.06004	0.3
138.06767	0.3
139.07506	1.3
140.01012	1.2
141.12735	0.3
144.05708	0.4
145.06470	0.4
145.10095	0.5
147.04359	0.3
147.08066	1.0
149.06052	0.3
149.09560	0.3
149.13243	0.3
150.06789	0.6
151.07526	2.7
152.04720	0.6
153.05487	0.7
154.06273	0.3
155.07063	0.4
158.07259	0.9
159.08038	1.1
160.05260	0.2
160.08792	0.5
161.05965	1.6
161.08307	0.5
162.06755	0.8
163.07411	0.2
165.09061	1.8
167.07037	6.8
173.09579	1.1
174.06960	0.2
174.10399	1.3
174.99217	3.2
175.07507	1.4
176.08301	5.9
177.05447	1.7
179.10655	2.2
181.05016	0.2
187.07445	1.1
189.05463	0.4
189.09087	1.2
190.09911	0.8
191.07010	1.9
191.10664	1.8
191.72163	0.2
192.07819	3.1
192.10031	0.5
193.08574	3.0
194.09502	0.3
201.09103	0.9
202.09831	2.6
203.06989	1.3
203.10947	0.2
204.07846	0.4
205.08586	0.5
205.12230	1.7
206.07919	0.2
207.10114	4.1
215.17964	0.5
217.08575	0.6
218.09325	2.4
233.11684	14.4
233.19049	0.4
234.11960	0.3
239.02309	0.4
251.05919	0.7
251.10622	0.4
251.12483	1.2
251.16521	0.3
251.20023	1.5
252.12326	1.0
269.06900	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03928	0.9
55.01871	1.3
55.05508	4.5
55.35938	0.9
57.07063	4.0
59.04986	2.0
67.05170	1.2
67.05502	13.0
69.03439	1.2
69.07068	9.2
70.92620	1.8
71.04984	3.4
72.46881	1.1
79.05495	9.4
81.07054	19.7
83.04979	8.7
83.08607	2.8
85.06533	4.5
91.05474	11.8
93.06470	1.5
93.07040	18.8
95.04961	3.8
95.08599	21.0
97.06515	6.7
98.98462	100.0
99.04464	1.5
101.52839	0.9
105.07024	26.8
107.04955	22.8
107.08582	19.2
109.06522	4.6
109.10157	8.2
111.08059	2.8
113.09628	1.8
116.99500	3.2
117.07031	2.9
119.08575	11.3
121.06507	11.8
121.10134	9.6
123.08061	3.4
123.11718	2.1
125.05991	1.1
125.09644	3.8
127.07512	1.7
128.06181	1.3
129.06947	2.4
130.07751	1.4
131.08559	36.2
133.06476	1.6
133.10126	13.6
135.08049	5.1
135.11658	6.5
137.09605	4.6
137.13251	1.1
139.07556	3.7
143.08565	2.4
144.09291	1.3
145.06422	1.2
145.10112	27.4
147.08038	13.4
147.11687	15.7
149.06017	2.9
149.09612	38.3
149.13239	4.0
151.07486	1.3
151.11172	1.3
153.09082	1.8
157.10153	2.8
158.07233	2.2
158.10936	1.6
159.11671	3.8
161.09659	1.1
161.13242	3.8
163.07538	1.4
163.11218	3.7
163.14830	5.0
165.09111	2.1
167.06996	1.6
171.11641	1.4
173.09645	5.1
173.13257	29.3
174.99171	2.4
175.11131	4.9
177.07541	1.1
177.09103	2.6
177.16397	2.0
187.14836	16.5
189.12727	6.8
189.16388	1.7
190.13525	5.2
191.07042	1.6
191.10677	13.5
191.14297	43.0
205.12221	1.4
205.15852	11.2
207.08365	1.3
215.14275	6.7
215.18001	1.3
221.09854	2.2
223.16919	1.3
233.10052	1.2
233.15359	27.6
233.18980	1.8
251.11024	7.4
251.16328	11.7
251.20099	5.4
269.06998	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	251.2003
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03941	3.2
53.04643	1.0
55.01857	5.2
55.05503	15.3
57.07062	9.1
65.03922	3.0
67.05497	79.6
69.07059	17.5
70.18427	5.1
71.04977	2.7
71.08621	7.8
76.04907	1.1
77.03925	1.4
78.53940	1.3
79.05484	58.7
81.07047	88.5
83.04961	3.3
83.08605	6.7
85.06522	3.8
85.10162	3.4
91.05476	25.8
93.07030	100.0
95.04955	7.8
95.08595	62.6
97.06524	5.6
97.10169	4.0
98.98456	83.0
105.07012	14.5
107.04913	1.7
107.08582	66.9
109.06502	2.8
109.09382	1.4
109.10138	26.5
111.08070	2.1
111.11667	2.1
113.09589	1.7
116.99487	2.9
117.07000	9.0
119.08559	11.3
119.45210	1.0
121.06503	15.6
121.10133	44.6
121.35394	1.0
123.08037	2.3
123.11689	14.5
131.08548	17.3
133.10089	7.8
135.08044	23.8
135.11667	20.3
137.09595	3.4
137.13205	8.4
139.07497	4.4
140.00858	1.3
145.10117	9.4
147.11641	3.8
149.09607	17.6
149.13240	10.1
151.11140	3.2
151.14790	2.3
153.09085	11.6
155.14284	1.9
159.11678	7.9
161.13234	1.3
163.11162	11.3
167.10661	8.5
173.13200	3.9
174.99219	3.6
177.12717	4.1
181.12228	8.0
187.14798	1.8
189.16391	4.1
191.17934	26.9
193.10181	1.5
195.13808	4.7
205.19495	4.2
207.17416	1.8
215.17937	18.8
233.18961	17.9
251.14255	4.6
251.20036	51.3
273.71545	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2004
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03939	2.1
54.38416	0.6
55.01868	2.1
55.05502	8.6
57.03430	0.7
57.07063	5.3
58.43826	0.7
59.05008	0.8
59.29548	0.6
63.82183	0.6
65.03944	1.1
67.05499	42.7
68.38896	0.5
69.03419	0.9
69.07063	9.6
70.58819	2.0
71.04987	2.5
71.08621	4.6
77.03912	0.7
79.05486	32.4
79.56062	0.6
81.03431	1.3
81.07049	42.2
83.04974	2.8
83.08612	3.7
85.06538	3.8
85.10181	2.2
91.05472	11.7
93.07034	51.4
95.04968	5.6
95.08598	29.0
97.06516	4.0
97.10145	2.2
98.98457	100.0
99.08062	0.9
105.07004	7.6
107.04935	1.5
107.08585	33.4
109.06502	2.6
109.10146	14.7
111.08115	1.5
111.11754	0.6
113.09619	0.8
116.99497	4.6
117.06997	4.6
119.08565	7.5
121.06501	9.4
121.10135	20.5
123.08072	2.7
123.11710	7.7
125.05941	0.6
125.09585	1.0
129.06970	1.0
131.08554	9.5
131.09496	0.8
133.06480	0.7
133.10104	4.7
135.08049	9.4
135.11667	10.6
137.05948	0.8
137.09627	2.9
137.13237	5.4
139.07558	2.9
145.10114	5.6
147.11682	2.7
149.09618	10.3
149.13219	4.4
151.11162	1.7
151.14836	0.9
153.09090	6.1
153.12779	0.7
153.32521	0.5
155.10692	0.6
155.14238	1.1
159.08151	0.7
159.11678	4.6
161.13301	0.8
163.07484	0.7
163.11168	5.8
163.14694	0.7
167.10672	5.8
173.13234	2.4
174.99196	3.4
175.14746	0.6
176.08374	1.0
177.09097	0.9
177.12764	1.9
181.12222	4.8
187.14836	1.1
189.16396	2.1
191.06993	0.9
191.10666	1.4
191.14221	0.8
191.17937	12.8
193.08636	1.0
195.13806	2.8
203.07150	0.7
205.08524	1.1
205.12299	1.5
205.19514	2.1
207.17418	2.3
209.15361	1.0
215.17943	9.6
233.15398	1.4
233.18970	12.1
251.04744	0.8
251.11867	0.6
251.16350	1.8
251.20052	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2003
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03927	3.8
55.01851	3.9
55.05503	13.8
56.48800	1.0
56.98042	1.0
57.07058	7.1
59.04989	1.6
65.03930	2.4
67.05496	79.9
68.18640	0.9
69.03394	1.9
69.07062	17.2
71.04212	3.0
71.04971	3.8
71.08603	3.0
74.75830	1.0
79.05484	42.6
81.03433	1.1
81.07043	85.1
81.73132	0.9
82.07359	1.0
82.38763	1.0
83.04974	5.5
83.08598	7.0
85.06539	5.6
85.10126	1.2
87.04460	1.1
91.05467	20.9
93.07030	71.1
95.04979	5.1
95.08595	70.5
97.06519	6.4
97.10159	5.9
98.98453	100.0
99.04414	1.4
99.08064	1.4
101.05973	1.3
105.07030	10.9
107.04945	1.9
107.08582	41.8
109.06501	3.9
109.10139	31.6
109.10741	0.7
111.08051	2.1
113.05966	1.5
115.05447	2.2
116.99476	4.0
117.07010	7.5
119.08567	11.1
121.06506	13.0
121.10126	30.6
123.08030	4.4
123.11687	18.1
125.09693	1.1
127.07516	1.3
131.08554	14.6
133.06447	2.3
133.10101	9.9
135.08025	17.4
135.11661	17.6
137.05957	1.9
137.09589	3.9
137.13228	9.2
139.07530	3.8
141.09166	1.4
145.06476	1.9
145.10109	12.2
147.11647	4.9
149.09602	11.9
149.13228	10.7
151.11169	2.2
151.14795	2.1
153.09085	7.4
153.12726	1.3
155.08495	1.1
159.08083	1.3
159.11684	8.8
161.05952	3.0
161.13242	2.0
163.03792	1.3
163.07521	2.1
163.11157	11.8
163.14738	1.3
167.10645	6.6
173.09628	2.2
173.13252	3.5
174.06750	1.1
174.10382	1.9
174.99229	4.0
175.14746	1.4
177.05388	1.4
177.12740	5.5
181.12199	9.1
187.11221	1.9
187.14832	2.9
189.16411	2.7
191.06987	1.8
191.14250	2.1
191.17923	19.4
193.08630	2.7
195.08057	1.5
195.13777	6.8
201.09055	1.6
205.08508	2.0
205.10396	1.3
205.12047	4.8
205.19522	2.9
209.15329	1.4
210.04951	1.1
215.10638	2.4
215.17917	15.3
233.07919	1.5
233.11548	2.3
233.15311	2.5
233.18941	16.6
249.70647	1.1
251.06996	1.8
251.09039	2.1
251.12901	2.1
251.16325	3.6
251.20038	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07758	3.2
79.05436	0.7
81.07045	1.5
93.03365	0.9
95.04953	1.0
98.20812	0.8
98.98464	11.8
99.50359	0.6
100.36035	0.7
109.06484	0.8
111.04458	1.2
119.08537	0.7
119.30682	0.9
121.02858	1.2
136.05226	1.6
139.03900	5.7
149.02309	9.0
153.05489	0.8
164.04652	1.8
165.01825	1.2
167.03423	4.7
172.80255	0.7
177.01820	13.0
178.02568	1.3
182.05728	2.7
192.04158	2.7
193.04973	0.7
195.02876	6.8
200.53532	0.8
209.04460	1.3
210.05159	4.9
220.03690	4.1
222.01706	1.0
223.02370	27.4
224.02998	1.2
237.03865	2.4
238.04698	64.1
239.05025	1.4
240.05380	0.7
253.07048	100.0
254.07501	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.3
58.52142	0.4
59.90364	0.3
65.03924	0.5
67.05476	0.5
69.03450	0.4
69.07056	0.5
70.87716	0.6
70.88074	0.5
78.04747	0.4
79.05499	0.4
81.03392	0.6
81.07044	0.5
85.02867	0.4
91.05470	0.9
93.03401	2.3
93.07047	0.8
95.04940	0.4
95.08588	0.4
98.98457	11.4
102.04660	0.6
105.06973	0.4
107.08583	0.4
109.02874	0.6
109.06500	0.4
109.10155	0.4
111.04428	2.1
119.08551	0.6
119.85130	0.3
121.02864	1.0
123.04396	0.4
125.02316	0.7
125.09601	0.4
133.02838	0.4
136.05176	2.2
137.02298	0.5
137.05946	0.6
139.03888	4.4
147.04413	0.7
149.02328	16.3
150.13358	0.3
151.03912	0.6
151.11215	0.4
153.05415	0.4
154.02588	0.3
158.03578	0.5
160.01550	2.0
164.04646	0.4
165.05467	0.9
165.06911	0.5
167.03391	3.2
176.04680	0.8
177.01823	12.9
178.02577	3.0
182.05786	2.4
182.07132	0.5
192.04166	4.4
193.01311	0.7
193.04881	0.5
194.02037	1.4
195.02881	4.2
197.08018	0.5
197.11716	0.4
204.07799	0.4
205.01265	0.4
206.02068	0.9
208.03763	0.4
209.04439	2.2
210.05154	1.1
214.45947	0.3
216.66428	0.3
220.01532	0.6
220.03654	10.1
222.01573	1.4
223.02356	40.7
224.03046	1.4
235.16876	0.5
237.03932	5.4
238.04700	38.9
239.05159	0.7
253.07043	100.0
254.07382	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
56.96550	2.3
57.07064	2.2
60.08161	1.2
67.05495	1.3
69.03397	1.0
69.07049	1.3
70.06569	1.8
70.87695	2.1
71.04980	1.6
71.21139	0.6
73.05217	0.8
73.06548	8.2
74.19491	0.7
79.05475	1.1
81.03398	1.3
81.07040	2.5
85.02896	3.4
90.23881	0.8
91.05447	2.0
93.07005	0.8
95.04955	1.6
95.08585	2.6
97.02872	2.6
98.98451	100.0
99.04444	1.1
104.95968	0.7
105.07028	1.0
107.04908	0.8
109.02884	1.2
109.10141	1.6
110.07162	0.8
115.05482	0.8
116.98656	1.6
116.99496	4.4
119.61757	0.8
123.04399	1.2
127.03918	1.5
133.01836	0.8
133.06508	1.1
137.05978	1.0
141.05414	1.2
149.05911	1.8
151.07518	2.0
153.05426	1.4
159.02939	0.8
165.05489	2.5
174.99226	1.6
176.98891	2.4
177.05498	0.9
190.96538	0.7
193.05017	0.8
197.11653	3.8
202.81923	0.7
225.22229	0.9
238.74768	0.8
245.03282	0.9
248.74110	0.9
253.06982	2.4
253.66283	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01850	1.5
55.05499	4.6
56.96558	17.0
57.03421	3.0
57.07067	2.5
60.04532	0.9
60.95830	1.3
61.02926	5.6
65.09277	0.7
67.05490	2.0
69.03428	9.8
69.07055	1.3
70.06573	1.6
71.04988	1.9
71.52409	1.2
73.02907	2.5
73.06548	10.9
79.05482	1.6
81.03415	3.8
81.07042	2.2
81.93906	0.7
83.08620	1.0
83.68070	0.7
84.96045	2.0
85.02898	35.5
86.09692	1.3
87.04447	1.5
91.03947	2.3
91.05479	2.1
93.04538	1.0
93.07011	0.8
95.04984	1.9
95.08600	1.8
97.02883	13.6
97.06544	0.8
98.97601	8.9
98.98459	100.0
99.04450	2.0
100.98872	1.3
105.07022	1.9
107.04932	0.8
107.08630	0.8
109.02861	4.6
110.07155	3.3
110.97567	1.7
111.04443	1.2
111.08064	0.8
116.98621	7.0
116.99508	4.5
119.01862	3.3
119.04936	2.0
119.08560	0.8
124.04602	0.8
127.03913	7.9
128.98624	2.1
131.01826	1.3
134.01270	1.2
134.05969	0.8
134.99641	5.4
136.07487	1.0
136.93083	0.9
137.02899	1.0
137.05942	4.6
139.03947	0.9
141.05455	1.1
143.00165	0.9
145.04942	8.4
146.90166	0.8
146.99588	1.1
147.04343	0.9
149.01234	1.1
152.07018	1.2
155.04628	4.7
158.99625	2.1
159.03151	0.8
161.01215	2.9
161.05936	1.0
163.02756	0.9
163.04457	0.9
164.05070	1.3
165.00635	0.9
172.95255	1.5
174.99178	3.3
176.99039	1.5
177.00684	3.0
177.04263	0.9
179.07086	1.1
179.10600	0.8
187.00311	1.1
194.09232	2.7
197.11752	2.3
202.05414	1.0
208.05098	0.9
212.98293	1.0
219.01758	1.0
229.01640	1.3
229.03763	1.9
230.06773	1.3
237.02728	0.9
238.04726	1.6
248.99139	3.0
249.02907	1.7
253.07129	3.0
253.11467	1.4
267.00220	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1433
Annotation	a ubiquinol
Peak:m/z	Relative Intensity
53.03933	4.6
55.01863	10.9
55.05498	6.3
57.03428	1.9
57.07053	5.3
63.92892	1.7
67.05498	40.3
67.37087	1.8
69.07063	12.1
69.19140	23.4
71.04985	3.9
79.05482	18.0
81.03413	6.4
81.07047	39.9
83.04972	6.8
83.08585	2.6
85.06533	3.2
91.05476	30.1
93.07034	13.4
95.04955	5.5
95.08593	6.7
97.06499	3.5
98.98455	100.0
99.04468	4.0
100.98846	2.1
105.07018	24.6
107.08579	21.4
109.06490	4.8
109.10150	46.4
116.99495	5.1
119.08558	4.4
123.11687	8.8
127.07575	3.5
133.10124	51.5
140.01129	2.3
151.11148	24.3
161.09639	2.7
169.12236	5.1
179.10698	2.3
187.06575	2.0
190.48616	1.9
216.54156	1.7
238.04645	5.2
253.06920	3.5
253.14330	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1795
Annotation	Dysodensiol F
Peak:m/z	Relative Intensity
50.23103	0.6
53.03945	0.7
55.05505	3.1
56.96534	0.7
57.03419	1.2
57.07080	3.4
59.04978	0.9
63.23930	0.6
67.05492	4.6
67.47063	0.6
69.03423	1.0
69.07063	3.8
69.38171	1.4
69.38498	6.3
71.04985	1.4
79.05505	3.5
81.07052	10.7
83.04980	1.1
83.08616	2.1
85.06531	1.9
91.05470	2.9
93.07037	7.4
95.04973	1.3
95.08604	8.0
97.06516	5.3
97.10143	1.6
98.19170	0.7
98.20702	1.2
98.98455	100.0
99.04447	1.1
100.98866	1.5
105.07013	7.5
107.04948	0.9
107.08579	7.3
108.41180	0.8
109.06509	3.3
109.10148	6.4
111.04401	0.9
111.08054	3.9
113.05983	1.2
116.99498	3.0
117.07008	1.5
119.08572	5.1
121.06493	2.5
121.10137	5.1
122.07287	0.8
123.04401	0.9
123.08057	4.1
123.11670	4.3
124.08783	0.9
125.05988	2.1
125.09613	2.7
131.08546	2.1
133.06609	1.0
133.10109	5.2
135.08051	9.7
135.11670	2.5
137.09644	4.3
137.13264	0.8
139.07527	2.0
140.01074	2.1
143.08536	0.9
144.09383	0.8
145.10103	2.7
147.08044	1.4
147.11615	3.6
149.02364	1.0
149.09605	2.3
149.13277	1.4
150.10370	5.3
151.07570	1.2
151.11168	14.3
153.05463	3.9
154.09862	1.9
157.10051	1.7
159.11673	5.8
161.09569	1.9
161.13235	2.2
162.06726	0.9
163.11156	9.1
165.06964	0.9
165.09106	2.8
165.12749	2.0
166.13458	1.3
167.10678	3.5
173.13263	0.9
174.99213	2.2
175.11174	12.4
175.14807	2.9
176.11842	0.8
176.98914	2.5
177.01811	0.9
177.12724	2.7
178.06242	2.5
178.13551	1.1
179.10530	0.9
179.14333	1.2
189.12685	0.9
190.13477	2.9
193.08630	6.6
193.10387	1.7
193.12190	8.5
193.15816	3.5
197.11636	1.3
201.16368	1.3
203.14313	3.6
207.04990	2.0
207.13777	0.9
207.17398	2.3
208.14551	2.7
211.09593	1.1
217.15877	0.9
218.16681	4.7
219.17404	22.4
221.15321	2.5
223.02269	1.6
225.06032	0.9
225.14877	1.7
225.18388	1.0
230.06570	0.8
235.09560	2.3
235.16879	2.7
236.17714	1.9
238.04691	3.1
253.06740	5.0
253.12335	3.0
253.17943	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1796
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03933	2.3
55.01860	2.7
55.05511	8.0
56.96547	1.8
57.03419	3.8
57.07071	3.2
63.61264	1.4
67.05497	16.4
69.03414	4.0
69.07063	13.8
71.04986	13.1
71.53153	2.6
73.13171	1.5
79.05472	7.3
81.03405	2.0
81.07050	22.5
83.04953	2.6
83.08590	5.1
85.02860	1.5
85.06528	6.1
89.13671	1.4
91.05464	10.2
93.07030	14.5
95.04958	9.9
95.08586	18.1
97.06512	5.6
97.10140	2.9
98.98454	100.0
99.04368	1.3
99.08054	4.9
105.06997	13.5
107.04926	2.0
107.08576	16.2
109.02825	1.8
109.06496	5.6
109.09460	2.4
109.10140	27.3
111.08060	3.6
111.11660	1.8
113.06069	2.4
115.05480	1.3
116.98647	2.0
116.99492	4.4
119.08561	12.6
121.06488	3.3
121.10123	10.2
123.08085	2.5
123.11692	5.3
125.09618	8.6
127.07531	1.7
127.11193	2.3
128.98633	1.8
131.08557	3.2
133.10115	6.8
135.11703	8.1
137.09625	3.1
139.03873	4.1
143.08447	1.8
145.10097	5.4
147.11659	16.2
149.02312	4.0
149.09619	4.3
149.13235	3.1
151.03864	1.8
151.07530	1.9
151.11180	4.0
151.74594	1.4
153.09233	1.6
153.12729	3.0
157.10097	4.3
159.11670	2.4
161.13188	2.5
165.06956	6.0
165.12698	2.7
167.03415	2.5
173.13235	2.3
175.11194	2.9
175.14771	3.7
177.01816	6.0
179.10643	4.4
181.06361	1.7
182.07234	3.6
189.16302	6.8
192.04068	1.9
195.02956	3.0
196.08487	9.3
197.11717	3.6
199.14844	2.6
205.09077	4.5
207.17513	2.3
210.06699	3.6
217.12210	2.7
217.15868	5.6
220.03584	3.8
223.02373	16.4
225.09038	4.3
235.16849	15.8
238.04625	31.1
253.06799	41.8
253.12343	3.6
253.17787	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	253.216
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03955	2.3
55.01855	3.1
55.05504	47.4
57.03401	3.2
57.07068	27.1
65.03937	3.4
67.05498	63.4
69.07059	79.3
69.89069	13.9
71.04971	4.8
71.08619	7.5
79.05479	23.8
81.07047	99.7
83.04962	10.5
83.08610	46.9
85.06520	8.2
85.10166	6.0
91.05468	32.1
93.06480	3.2
93.07034	46.5
95.04923	4.9
95.08600	100.0
97.06508	9.4
97.10157	36.0
98.98454	86.7
99.08088	3.6
100.98877	3.0
105.07018	36.3
107.08588	36.1
109.06515	5.7
109.10135	43.8
111.08064	7.8
111.11728	18.6
113.05978	2.8
113.09629	4.8
116.99461	4.1
119.08549	38.7
121.10132	27.1
123.08052	9.6
123.11691	21.7
125.09604	5.3
125.13250	4.0
127.11157	2.8
133.10107	45.7
135.11682	25.9
137.09628	11.8
137.13214	10.3
139.11147	7.3
147.11676	28.4
149.13222	9.1
151.11159	11.9
151.14793	9.9
153.12759	5.7
161.13225	26.0
163.14803	4.0
165.12793	11.8
175.14783	12.4
177.16383	4.9
179.14291	9.3
189.16328	4.9
191.17880	8.2
193.19498	29.1
217.19492	87.0
217.21581	4.1
235.20538	53.6
253.06877	5.5
253.21588	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	254.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05882	2.5
56.88544	2.5
56.96560	3.8
57.03394	2.7
59.06116	2.6
61.02905	5.4
69.03423	3.1
70.96159	4.7
71.01342	8.8
75.04473	17.0
76.97617	2.3
81.03412	3.8
81.07051	4.0
85.02892	2.7
87.04437	4.3
89.02351	3.1
98.98463	46.4
103.03941	16.8
107.04942	2.8
108.62045	2.5
116.98645	2.4
116.99466	3.3
124.07556	4.3
130.14574	2.4
131.03368	5.0
159.02890	53.6
169.03070	3.3
176.07034	3.1
187.02428	5.5
213.95657	3.6
216.98077	3.3
219.02867	5.4
219.04990	100.0
230.99646	10.1
254.13882	5.1
265.75177	2.4
271.66153	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	254.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97272	1.9
56.96561	5.2
57.07046	2.4
61.02922	6.9
69.91633	8.4
71.01340	6.6
71.04983	6.3
75.04469	18.7
81.03452	2.5
85.02887	2.0
87.04440	4.4
89.02383	3.3
91.05484	2.8
97.02883	2.7
98.98455	35.1
103.03922	20.3
116.91913	2.0
120.08102	5.2
124.07575	3.8
131.03419	7.2
159.02885	57.5
187.02383	2.6
193.05043	2.4
197.38799	2.0
208.13354	7.0
214.99306	2.4
219.04988	100.0
230.99666	2.9
254.10237	3.1
254.13823	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	254.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89795	0.7
56.96545	1.7
60.08159	85.4
65.03940	6.0
66.20802	0.6
69.06716	0.6
70.58196	1.7
70.58559	1.4
82.79346	0.6
85.63625	0.7
89.03895	1.2
91.05468	8.0
93.03397	20.0
95.04931	1.1
98.97552	1.4
98.98446	2.7
103.05461	1.6
107.04916	1.3
110.03660	2.1
111.04440	23.8
119.04932	6.2
121.06483	3.3
125.05984	46.6
134.03572	1.2
149.05974	84.7
151.07483	1.7
153.05452	100.0
158.13419	0.7
163.03955	0.9
170.67874	0.7
177.05452	7.5
195.06514	69.5
195.11174	1.7
249.02696	0.9
254.13870	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1376
Annotation	1,2-Dimethyl-6-hydroxy-7-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
53.03953	1.0
53.76329	0.8
55.01866	1.2
57.03430	0.9
59.04951	1.0
65.03935	0.9
67.05487	4.1
71.13306	2.3
71.13651	1.1
75.04469	4.6
79.05486	5.8
81.07031	1.5
83.08630	1.3
91.05469	9.4
93.07014	4.3
95.08592	1.2
98.98443	5.0
103.05453	1.0
105.07011	3.5
107.04911	3.5
107.08574	2.6
108.05728	1.0
109.06499	1.3
115.05427	9.5
115.26246	0.9
117.07012	19.4
119.04929	1.5
119.08573	3.8
121.06461	1.6
128.06239	1.4
129.07001	1.4
131.04901	2.7
131.08533	1.4
132.05670	1.3
133.06438	0.9
135.04370	4.6
135.11656	2.6
136.05188	3.7
139.42482	1.1
141.06973	3.0
143.08559	1.4
144.05743	1.3
145.06479	3.8
146.07266	4.6
151.07530	17.7
152.06178	2.9
153.06963	4.6
154.07770	2.1
155.08521	2.3
157.06523	1.4
158.07251	3.1
159.08034	2.3
160.05199	2.3
161.05945	1.9
162.06741	1.2
163.07539	4.4
163.70598	1.0
165.06973	19.9
166.07780	6.5
167.08530	5.6
168.05574	2.2
169.06454	3.1
169.10103	3.8
170.49248	1.0
171.07977	1.3
174.06749	8.6
175.07530	9.8
176.08330	1.2
177.06969	1.7
177.09128	1.9
178.07762	10.6
179.08536	13.1
180.09311	7.8
181.06529	5.6
181.10107	12.9
182.07245	6.9
183.08034	11.5
184.08797	1.1
185.09676	1.3
189.09097	26.2
190.07938	1.6
190.09851	6.8
191.08508	3.7
192.09349	1.9
193.06403	5.4
193.10098	12.7
194.07280	12.4
195.08032	22.9
195.11708	2.0
196.05095	1.1
196.08829	6.8
197.06013	1.8
197.09570	16.3
199.07494	2.2
201.09114	2.5
207.07974	2.1
208.08791	16.6
209.09598	78.0
210.06741	2.1
210.10146	2.1
211.07529	15.4
211.11043	4.5
212.08281	3.0
212.11945	1.3
213.09073	3.7
214.09866	1.3
222.10335	1.7
223.11162	40.4
224.11942	66.0
225.09102	37.9
225.12546	2.5
226.09848	11.5
227.10640	11.1
238.10001	1.3
239.10634	7.2
240.11430	43.6
253.12177	1.5
255.13771	100.0
256.14194	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1952
Annotation	Yingzhaosu B
Peak:m/z	Relative Intensity
55.01868	5.8
55.05506	25.5
57.03419	13.3
57.07057	10.4
59.04995	4.3
67.05496	31.6
69.03411	9.5
69.07058	32.1
71.04980	10.3
71.08605	5.2
71.26212	6.7
75.04482	20.3
75.73015	2.7
79.05486	17.3
80.05642	2.7
81.03429	5.5
81.06591	5.0
81.07046	84.4
83.04972	12.8
83.08605	18.3
85.06533	16.6
87.04439	3.2
91.05460	17.9
93.07036	48.0
95.04947	8.6
95.08595	100.0
97.06512	11.6
97.10146	6.6
98.98446	25.2
99.08061	8.0
105.07007	31.8
107.08570	49.6
107.09297	4.5
109.06527	11.7
109.10135	38.4
111.04401	3.4
111.08070	8.8
111.11683	5.2
113.05996	13.9
113.09619	4.1
117.07037	3.2
119.08555	21.5
121.02779	3.1
121.06490	5.6
121.10123	36.2
123.08046	8.8
123.11703	12.8
125.09604	8.1
127.07472	3.4
131.04927	6.6
131.07069	5.8
131.08543	11.1
133.10083	18.0
135.11670	25.6
137.09613	9.7
137.13237	62.7
139.11153	8.9
141.09081	6.0
143.08562	5.1
145.10106	18.7
147.11707	7.1
149.09650	5.0
149.13219	10.9
151.11169	8.5
151.14847	4.7
152.06123	5.5
155.10646	4.6
157.58946	3.4
159.10313	4.5
159.11642	14.9
161.13254	36.0
163.11169	9.0
163.14795	29.4
165.07005	5.7
166.07866	3.6
167.08586	14.3
169.06555	3.8
173.11719	3.4
173.13232	7.2
175.14749	8.2
177.16406	9.8
179.14307	10.9
181.06519	5.4
189.16353	5.2
191.17924	10.3
195.04395	3.5
195.08072	19.4
196.90393	3.6
197.06061	4.1
197.09645	5.8
201.16364	21.0
207.17468	3.1
210.06357	3.0
212.08347	4.0
219.17447	46.0
223.07472	9.3
227.06912	3.1
227.10623	15.2
237.18472	23.8
240.07858	7.5
255.06534	10.6
255.10135	31.3
255.17195	4.4
255.19572	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	256.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	6.2
55.05501	2.4
56.96548	9.3
57.03438	18.3
57.07067	2.6
58.99864	19.8
61.02922	17.8
65.03911	3.7
69.03430	15.5
70.03806	2.2
71.01330	4.1
71.04995	3.0
71.52393	1.8
71.52789	2.2
73.02905	14.4
73.63316	2.1
77.00916	12.9
81.03437	4.7
82.01456	10.3
85.02901	35.4
85.06496	2.2
87.04477	3.9
91.05750	2.3
95.01962	5.0
97.01385	2.9
97.02882	19.3
98.97552	5.8
99.02982	6.0
99.04437	3.8
100.02481	49.1
101.00887	22.8
101.02354	6.2
103.02458	10.9
105.00391	3.5
109.02926	2.3
111.30252	2.2
113.00843	3.1
113.02352	2.1
115.02435	46.8
115.03941	6.0
116.98608	4.2
117.03995	69.2
118.03518	38.1
119.01918	100.0
120.02032	4.6
121.01657	2.7
121.02753	3.6
121.03490	7.3
124.02505	3.1
124.03948	34.2
126.05507	5.0
127.02422	8.0
127.03937	11.8
129.01831	7.8
131.01904	21.4
131.05489	3.2
133.02536	3.9
133.03462	42.1
133.04951	4.2
134.03577	3.8
134.06032	2.5
135.05035	75.9
137.02943	41.3
138.03001	2.3
138.04013	2.9
140.05577	28.2
142.03477	13.7
143.01898	37.0
143.03146	3.7
143.03355	3.2
144.99811	6.6
145.03465	56.2
145.04732	3.4
145.04977	2.6
145.99960	7.4
146.99580	4.7
147.01381	8.5
149.02921	3.4
150.04065	3.0
150.06612	8.0
152.07072	2.5
154.03481	3.0
155.01906	5.8
155.08138	3.6
156.05058	4.2
157.01308	6.7
157.03471	5.5
158.06615	32.1
159.01390	5.8
160.04584	5.3
161.02963	58.5
161.04449	7.3
162.03246	5.1
163.00925	3.5
163.04483	24.0
164.01013	3.2
164.08151	4.4
165.02556	2.5
166.03455	8.1
168.05084	36.1
168.99718	2.3
169.03502	11.6
169.05260	6.3
170.02937	6.3
171.01399	22.0
171.02774	4.0
171.05013	4.6
172.97537	2.5
173.02985	10.2
175.02521	2.4
175.04420	4.4
176.05984	3.2
177.02475	8.6
179.04016	8.3
182.03017	3.9
184.04541	53.3
185.02948	7.2
186.03136	2.3
186.06078	6.4
187.00920	13.5
187.02614	2.7
187.04532	7.3
189.02431	41.5
189.03955	15.5
190.98677	4.2
191.00323	4.2
191.06659	2.7
194.02977	6.4
196.07155	10.9
197.02979	8.2
199.04668	2.2
200.03941	4.6
202.05586	7.2
203.03906	5.5
203.05571	3.6
205.01907	9.9
207.03494	23.2
207.06128	3.3
210.02483	26.9
210.08777	6.5
212.04054	29.3
214.02235	3.8
215.00327	9.1
215.03952	7.9
220.02080	2.2
221.03003	3.9
226.05556	2.5
228.03525	6.5
230.05077	16.9
233.01442	46.4
238.01942	5.1
238.05618	3.5
244.05399	3.7
247.02867	4.9
251.02507	99.3
256.03021	75.0
256.06851	4.1
256.09241	14.8
256.11829	6.6
256.26376	9.0
257.05017	5.5
271.58862	2.4
274.04062	50.1
275.06088	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	256.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	11.8
56.19775	3.2
56.96556	13.2
57.03434	36.3
57.07069	5.9
58.07719	2.8
58.99865	10.2
59.04982	7.1
60.04509	3.5
61.02917	21.4
66.47224	3.5
67.05499	4.8
69.03422	23.0
69.68119	12.0
69.68555	11.1
71.01334	7.0
71.04982	9.0
71.50979	3.0
73.02910	19.4
77.00902	9.1
78.69235	3.6
81.03402	10.9
82.01424	4.9
85.02901	57.3
85.06521	5.4
87.04456	13.6
97.02872	29.8
98.97580	3.9
99.04467	6.7
100.02474	27.4
101.00874	18.2
101.02403	16.1
103.02418	11.7
109.02873	9.8
113.00835	3.7
113.02351	3.6
115.02434	41.5
115.03902	19.2
117.03976	42.4
117.04720	3.5
118.03522	22.7
119.01914	100.0
120.02043	6.2
121.03529	8.5
124.03937	26.4
126.05526	6.2
127.02395	7.7
127.03921	15.8
128.98590	3.8
129.01854	27.0
129.02719	4.6
131.01888	32.7
131.03416	3.6
131.05545	3.2
133.03453	41.4
133.05011	4.8
134.06003	3.5
134.99631	5.4
135.05042	49.0
137.02928	30.1
140.05521	17.4
142.03471	21.1
143.01901	39.7
143.03389	11.1
144.99829	8.2
145.03450	73.7
145.04753	5.7
145.99954	6.6
146.99596	6.1
147.01408	8.0
147.05023	5.7
149.01144	4.7
149.02950	9.2
149.06560	4.7
150.01822	4.4
150.06693	4.7
152.07069	10.4
153.05746	21.4
155.01869	7.8
157.01309	17.9
157.03482	9.9
158.06622	21.1
159.01376	7.6
159.04922	4.1
160.04686	5.6
161.02953	60.8
161.04424	17.5
161.06592	5.0
163.00935	4.7
163.02655	4.1
163.04434	30.9
166.03514	4.1
168.05026	21.6
168.99805	5.5
169.03407	24.9
170.03052	4.4
171.01373	20.6
171.02907	9.2
172.99409	3.1
173.01569	3.6
173.02965	19.2
174.03122	5.8
174.04494	4.3
175.04494	7.7
177.02376	9.1
184.04489	39.3
184.05862	4.7
185.02983	12.3
186.06129	6.1
187.00923	14.3
187.04541	38.0
189.02408	24.3
189.03955	46.4
194.02989	8.6
196.07167	10.5
197.02998	9.8
200.04303	6.6
201.02446	4.0
203.03943	8.0
203.05556	11.4
205.01865	6.6
207.03523	13.4
210.02499	14.8
210.06038	3.7
210.11235	5.6
212.03954	22.2
213.06128	3.8
215.00433	10.3
215.04025	10.0
230.05115	15.1
233.01433	40.7
233.05077	5.6
238.01897	5.0
242.27670	4.1
245.05069	4.2
247.03043	7.7
251.02496	97.1
251.06325	4.3
252.02682	4.8
256.03003	74.1
256.05927	5.0
256.09259	8.1
256.11862	17.7
256.26279	14.1
257.05060	11.5
274.04047	58.3
279.04919	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	256.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01860	14.9
55.05488	3.9
56.96559	13.7
57.03433	38.1
58.99854	10.6
59.04973	3.9
61.02929	20.5
67.05505	5.1
69.03429	27.3
71.01339	9.2
71.04977	9.7
71.52225	5.7
72.10101	3.8
73.02906	27.8
75.95398	3.5
77.00890	9.1
81.03413	8.8
82.01440	6.4
82.99844	4.1
83.01331	6.2
85.02895	55.9
85.06528	13.2
87.04449	12.9
89.02381	6.0
97.02888	27.0
98.97577	10.9
98.98431	4.3
99.02897	3.6
99.04444	7.7
100.02476	25.8
101.00890	21.9
101.02383	15.4
103.02471	7.8
105.00344	5.0
109.02869	5.3
113.00871	3.5
114.05571	4.1
115.02422	20.5
115.03917	19.5
116.98603	9.5
117.03995	37.9
118.03514	18.0
119.01910	100.0
120.01957	6.2
120.76778	3.5
121.01630	4.0
124.02493	6.2
124.03937	81.6
124.05900	5.7
126.05460	18.2
127.02368	8.0
127.03906	15.1
128.98645	3.7
129.01836	21.9
130.08603	7.5
131.01880	26.1
132.02260	3.7
133.03426	19.0
134.05984	9.0
135.05081	35.4
137.02942	30.5
138.54202	3.7
140.05553	11.7
142.03452	32.3
143.01886	47.1
143.03429	12.2
145.03456	73.6
145.04990	7.2
147.01341	10.0
147.03027	4.6
149.02980	7.7
150.06595	4.4
152.07082	12.7
153.05737	15.8
155.01895	10.2
157.01340	15.6
157.03497	10.0
158.06592	18.4
161.02951	76.5
161.04440	26.1
163.04642	21.1
166.03497	7.3
168.05064	21.6
169.03419	33.6
170.06274	3.9
171.01410	6.8
171.02820	6.3
171.05042	5.2
173.02953	15.7
174.04471	7.0
175.04471	5.9
179.04076	5.8
182.02975	6.7
184.04520	34.5
185.02946	7.4
186.04477	8.8
186.06177	11.5
187.00914	8.5
187.04526	44.9
189.00932	4.0
189.02438	13.8
189.03943	46.8
191.04015	5.4
192.05060	5.0
194.02989	4.6
196.07198	11.6
197.02959	8.4
200.04242	6.5
201.00673	4.4
203.03900	8.5
203.05554	17.0
204.05479	5.7
205.01906	8.6
207.03470	14.5
210.02519	10.8
210.06046	4.0
210.09096	4.3
210.11168	9.1
210.90091	4.0
212.04015	16.1
215.00412	6.3
215.03996	9.0
221.04871	4.7
221.06860	4.7
222.87105	3.9
228.03511	4.2
229.05081	3.9
230.05081	11.8
233.01393	16.5
233.05013	4.5
245.05122	7.9
251.02435	36.6
251.06148	7.5
256.02994	31.5
256.06711	5.6
256.09225	15.2
256.11823	38.3
256.26318	17.5
257.04935	6.5
269.07169	5.3
274.03918	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84724	0.5
55.01855	1.2
55.05496	2.0
56.96558	30.9
57.03431	3.5
57.07059	0.7
59.04985	0.6
61.02913	4.9
62.59380	0.5
67.05490	0.9
69.03420	3.3
70.06580	0.5
70.22360	1.7
70.98108	1.8
71.04973	0.6
71.95258	5.6
73.02893	3.3
77.00850	0.8
78.08291	0.4
81.03404	1.6
83.04954	0.8
84.08134	0.6
84.96013	0.8
85.02892	7.5
85.06534	0.5
85.26626	0.5
86.09686	0.6
87.04424	0.5
88.99155	0.9
93.03423	0.7
95.04943	0.6
97.02869	4.3
98.03134	0.6
98.97569	98.4
99.04439	0.9
101.00852	1.5
101.02402	0.5
106.00996	0.7
107.04931	0.7
109.02866	1.0
110.97536	1.5
111.00243	0.8
111.04484	0.7
112.99158	0.8
113.01772	0.5
115.02436	1.3
116.98605	100.0
117.01853	1.9
118.01008	2.1
119.01894	10.3
119.03516	0.4
119.04929	0.6
120.00687	0.7
120.01975	0.8
121.01641	0.5
121.02843	1.8
125.03596	0.5
126.00726	0.9
127.01553	1.5
127.03881	2.1
128.98602	2.1
129.17743	0.6
130.93283	2.4
131.00142	1.1
131.01863	2.3
133.01559	1.6
133.03427	1.9
134.06003	1.5
134.99637	74.1
136.91306	0.5
136.99994	0.6
137.02951	2.8
137.04639	0.5
137.05923	0.8
139.01581	0.9
139.03987	0.5
140.00162	2.7
143.00121	0.7
143.01848	1.5
144.02003	1.0
145.01625	1.0
145.03461	1.3
146.03546	0.8
146.55064	0.6
146.99629	3.1
147.01367	0.8
147.03152	0.7
147.05832	1.2
148.02029	1.9
148.03873	2.4
148.94328	1.1
149.01166	0.7
149.02959	0.8
152.00476	0.7
152.07043	3.3
153.00664	12.0
153.05719	0.5
154.03795	1.2
155.01897	0.7
155.04591	0.6
156.01776	0.8
157.02539	4.8
158.01241	4.2
158.99643	0.8
159.05017	0.8
161.01212	1.1
161.02913	2.3
161.06551	1.4
162.01797	0.8
162.03079	1.0
162.06358	1.0
162.56422	0.5
163.02783	1.1
163.04407	1.6
163.06261	1.0
165.00720	1.4
169.00760	0.8
169.03532	0.5
170.01204	0.5
170.05121	2.7
171.05103	0.8
172.94313	4.5
172.97594	1.2
173.01317	0.7
173.02956	1.8
174.97681	0.8
175.00822	0.8
177.00739	1.1
177.02563	0.6
177.04263	0.9
182.01526	0.8
185.02959	0.9
187.04420	0.9
190.01247	1.2
190.02942	0.6
190.95349	8.8
190.98636	2.2
191.02170	0.8
192.98666	0.9
195.05035	1.0
196.55766	0.8
197.01976	7.0
197.03453	0.6
197.05795	0.5
201.05679	0.5
203.02094	0.7
203.03986	1.3
203.07683	1.5
206.02600	5.9
206.52701	1.1
207.01768	0.7
208.96385	3.9
211.01553	0.8
211.04488	1.0
212.02484	0.8
213.06154	0.9
214.95383	1.2
215.03996	1.1
216.98615	0.9
217.05695	0.7
217.53458	0.9
219.01726	0.9
221.02988	1.8
221.05009	0.9
223.01222	0.6
229.05307	0.6
232.02132	0.7
232.96414	9.1
232.99550	0.8
233.01515	0.9
234.99704	1.5
248.03423	0.9
250.97488	6.6
251.02541	1.2
256.26266	0.8
256.96378	11.7
257.05060	4.6
257.11530	1.7
257.14941	1.4
269.56226	0.5
274.97470	86.3
275.06055	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57682	0.7
55.01862	1.5
56.63928	0.5
57.03428	4.3
69.71834	4.4
71.32050	0.6
73.53895	0.6
75.04464	2.7
79.05466	4.1
91.05450	1.5
94.04147	1.2
95.04925	0.9
103.05460	3.1
105.06299	1.5
105.07014	30.9
107.04921	2.1
109.06541	0.9
115.05440	1.6
122.03626	3.6
124.05228	1.0
131.04900	1.0
133.06473	47.6
135.04422	0.7
135.08067	0.8
137.05959	100.0
138.06310	1.0
161.05980	0.7
163.07516	4.9
165.09099	23.8
175.07538	2.6
177.09076	0.9
181.08617	2.2
182.09416	0.8
183.10141	4.6
203.10626	1.8
221.11722	2.6
244.03236	0.7
257.04529	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1535
Annotation	3,3-Bis(4-hydroxyphenyl)pentane
Peak:m/z	Relative Intensity
55.05506	3.8
57.07051	2.5
59.33121	2.1
60.08137	2.0
67.05494	4.5
69.07054	4.0
71.52715	2.5
79.05482	2.9
81.07045	5.7
91.05472	27.5
93.07038	4.4
95.08611	2.4
105.06995	3.1
107.04947	5.5
107.08546	2.3
108.05725	2.9
109.10132	2.4
117.07011	6.9
119.08568	26.2
120.02660	2.1
121.06501	3.5
121.10134	3.1
129.07022	2.5
131.08574	7.8
135.04396	3.2
136.05156	8.3
137.59431	2.0
139.07513	1.9
141.07036	2.8
143.08519	2.5
145.06390	2.2
145.10115	8.0
149.05983	3.4
150.06752	2.8
151.07527	50.8
151.08669	3.8
155.08479	2.0
157.06528	5.0
157.10074	3.9
159.08099	3.3
159.11655	4.6
163.07474	2.3
165.09091	15.1
167.08517	3.6
169.10158	2.5
171.08061	2.5
173.13148	2.5
179.08525	5.9
183.11655	2.6
184.08855	4.1
185.09618	2.8
186.10442	2.3
187.07527	4.5
188.08360	2.4
189.09206	2.4
196.08887	3.6
197.09532	3.6
197.13194	3.2
199.11194	5.3
200.08401	2.3
201.09106	8.3
202.09869	3.9
203.10423	2.0
210.10295	2.3
211.07790	1.9
211.11165	18.6
215.10660	9.5
225.12657	3.8
226.13521	12.0
227.10687	7.0
228.11420	3.6
229.12218	5.6
239.17995	2.7
242.13043	6.8
257.08160	7.3
257.15356	100.0
257.18912	10.6
257.22672	4.1
257.26572	4.8
257.30301	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	257.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01875	4.1
55.05499	11.7
56.62152	2.4
57.03434	2.6
65.03947	2.6
67.05495	18.3
69.03409	7.4
69.07059	3.4
69.71859	18.5
71.04985	13.6
79.05468	16.5
81.07048	21.1
83.04972	26.1
83.08636	2.6
85.06528	7.4
91.05467	28.7
93.07044	22.3
93.68842	2.3
95.04969	7.4
95.08585	20.8
97.06512	8.5
99.04420	3.2
101.06016	32.8
105.07021	39.8
107.04954	4.3
107.08571	26.7
109.06500	5.7
109.10148	14.6
113.06002	4.0
115.05407	3.0
117.07002	12.5
119.08575	39.6
121.06533	4.4
121.10128	19.6
123.08051	4.1
124.73369	2.6
125.09564	2.9
129.07005	9.9
130.07747	4.6
131.08568	17.7
133.06454	5.7
133.10118	21.2
135.08064	5.5
135.11674	6.5
137.05975	8.6
137.09566	3.6
141.06961	4.1
142.07822	2.9
143.08511	13.2
144.09370	4.9
145.10115	23.0
147.04413	8.6
147.11665	18.9
149.09694	3.7
157.10081	12.4
158.10959	3.0
159.11647	18.9
161.09550	3.4
161.13235	5.8
163.03926	3.1
163.11134	5.4
165.09114	4.6
173.13202	18.8
175.11124	5.4
175.14833	7.5
177.12750	8.1
181.12202	3.9
185.13217	10.7
191.14391	3.5
195.13811	5.4
197.05942	3.5
203.03384	3.3
203.14256	5.7
221.15359	11.3
229.04987	4.4
234.98822	3.6
239.16388	100.0
257.04407	9.4
257.08041	7.5
257.17471	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11304	2.3
53.03943	3.7
55.01864	4.1
55.05501	10.9
57.03415	5.3
58.16714	2.5
67.05504	21.5
69.03414	7.8
69.07053	7.0
69.69738	5.5
69.70159	12.1
70.06557	2.7
71.04986	14.6
79.05493	20.9
81.03379	2.9
81.07055	27.0
83.04974	35.8
85.06522	6.8
85.97385	2.4
89.21731	2.6
91.05488	28.3
93.07043	30.9
95.04967	8.1
95.08600	17.8
97.06503	6.0
98.21545	2.5
99.04441	4.6
101.06023	27.4
103.05421	3.4
105.07026	46.6
107.04958	4.4
107.08591	32.6
109.02841	3.1
109.06505	6.9
109.10149	13.9
111.08076	5.4
113.05994	6.4
115.07559	2.7
117.07021	12.8
119.04975	3.4
119.08572	37.9
121.06504	3.2
121.10142	22.0
123.08059	4.5
123.11742	3.5
125.09534	4.0
127.01534	7.7
128.06201	5.3
129.06961	9.3
130.07803	4.1
131.08562	20.9
133.06480	9.1
133.10112	27.0
135.11673	8.9
137.05988	7.1
137.09535	2.8
139.11176	3.4
139.13339	2.6
141.07002	3.6
142.07759	5.5
143.08549	16.9
144.09363	8.6
145.10124	29.7
147.04413	6.9
147.11693	17.9
149.09586	3.9
157.10101	10.6
158.10934	3.9
159.11687	19.1
161.09590	6.0
161.13196	7.7
163.03900	4.8
163.11147	4.6
165.06976	3.3
165.09084	7.1
165.12675	4.0
167.10637	5.1
173.13234	14.6
175.14709	4.9
177.12733	7.7
181.12199	7.0
185.13214	8.7
191.14261	3.6
195.13756	4.2
203.03363	2.9
203.14323	7.5
209.23660	2.6
220.26511	2.6
221.15395	14.8
229.04950	3.6
239.16409	100.0
240.16646	2.6
257.04419	7.9
257.08090	8.3
257.17349	18.1
262.80661	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	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03926	4.7
53.98638	5.1
55.05505	7.3
62.10331	3.8
66.85465	4.3
67.05492	11.6
69.07061	28.3
69.30740	42.0
71.04975	24.2
78.55172	3.5
79.05476	12.2
81.07069	20.8
81.07462	4.5
83.08632	9.5
85.06513	19.6
91.05471	11.5
93.07035	21.0
95.04964	5.8
95.08598	24.1
97.06535	6.4
105.03375	14.8
105.07036	28.4
107.08572	17.0
109.10146	13.2
111.08107	14.2
117.07005	7.4
119.08569	57.9
121.06495	9.9
121.10119	14.9
123.11719	22.0
129.06979	5.0
130.07742	5.0
131.08545	18.6
133.10103	33.4
135.08047	15.8
135.11679	5.1
137.13184	4.3
143.08592	5.6
144.09268	4.2
145.10094	40.0
147.11646	20.2
157.10104	14.1
159.11658	32.3
161.13245	35.3
171.11662	15.4
173.13266	13.0
175.14810	87.4
185.13295	12.5
187.14763	4.4
189.12752	5.3
189.16321	6.3
201.16393	29.3
203.14377	12.7
210.73248	4.4
216.15146	4.4
241.19464	16.8
246.67287	3.7
259.20560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.4
55.01846	1.4
56.96559	68.1
56.96841	3.6
57.03423	3.6
60.08155	1.7
60.95840	2.3
61.02917	3.7
64.05595	1.3
69.03426	7.1
70.98096	2.2
71.04970	2.1
71.52478	1.6
71.95255	3.6
73.02900	2.9
74.97594	6.7
77.00887	1.4
81.03410	4.1
81.04523	1.6
84.08130	2.5
84.96026	13.4
85.02888	11.1
86.09708	8.3
87.04455	1.7
88.99158	1.2
91.05473	1.9
91.79376	1.3
92.98650	3.1
93.47900	1.3
95.04966	2.0
97.02917	6.5
98.97575	100.0
99.04446	5.3
101.00874	7.6
102.96874	14.2
103.02440	2.6
109.02863	1.9
110.97548	14.9
112.99136	4.2
113.00847	2.8
115.02414	6.7
116.98611	73.0
117.03985	3.8
119.01904	27.1
120.97893	15.6
121.00916	1.3
121.01605	6.5
123.01300	1.5
123.04473	1.5
124.99103	3.4
127.00673	3.9
127.03915	5.7
128.98595	20.6
129.04019	1.4
131.00142	6.2
131.01884	13.7
131.04861	2.6
133.01672	1.4
133.03453	12.7
134.99655	37.7
135.03194	1.7
135.05029	1.9
137.02951	4.8
137.05954	2.7
138.98935	8.0
140.00162	2.4
140.98589	12.7
143.00156	18.4
143.01897	4.7
144.98055	1.9
145.01701	4.2
145.03500	8.4
145.04520	1.4
146.99649	15.7
147.01363	1.6
147.05029	4.4
147.07614	1.9
149.01208	3.3
149.02930	2.3
149.04861	2.4
151.02736	1.4
152.98611	3.2
153.00697	5.6
153.04057	1.6
155.00153	2.0
155.01930	7.4
156.02690	2.2
156.89700	1.3
156.99919	1.4
157.03418	2.0
158.01315	1.5
158.99646	20.9
159.03134	2.4
159.05031	7.4
161.01204	24.0
161.02802	11.0
162.99202	1.8
163.02628	2.0
163.04596	1.9
165.00676	4.5
168.03618	2.1
169.01093	3.2
170.99651	18.0
171.05025	11.0
173.01208	13.1
173.02945	10.4
173.04388	2.4
174.02965	1.5
174.99236	1.5
175.04546	2.1
176.93687	2.5
177.00703	24.3
177.04175	1.6
177.06065	4.7
179.02289	4.0
182.99699	3.0
183.04971	1.5
184.02826	1.5
185.02905	2.2
185.06599	2.0
186.99098	1.8
187.04533	1.9
189.00700	21.0
189.02367	3.3
189.04242	2.4
189.06007	9.0
190.98640	1.9
191.02257	13.8
191.03963	3.3
194.94551	2.0
195.01704	3.3
197.06612	2.4
201.00702	17.9
201.02330	2.7
201.04056	1.6
201.06061	3.2
203.03972	4.1
205.03761	1.4
207.01772	6.7
207.04977	11.1
208.05824	1.7
209.03470	2.5
213.00716	2.8
213.06149	2.7
219.01729	34.7
219.03580	2.8
219.09045	1.8
221.04973	17.7
225.06021	3.3
229.03261	16.9
231.01685	2.5
231.05139	8.6
237.02806	44.0
242.03441	2.2
243.01810	3.4
243.04745	5.6
243.07050	2.9
246.07361	8.4
247.03053	2.1
249.06070	26.1
254.96979	2.3
255.03896	3.5
260.04477	2.0
260.95789	2.6
260.99680	7.2
261.02921	44.9
261.05798	82.8
261.09222	28.2
264.08426	27.0
271.08920	1.6
278.96841	21.5
279.00589	11.8
279.03857	20.4
279.11160	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	261.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	2.7
69.13744	0.2
71.32080	0.5
74.97598	0.3
82.99358	0.2
82.99856	0.3
84.96005	0.3
98.96939	0.4
98.97573	4.9
101.00864	2.1
110.97569	0.4
116.98605	4.3
118.03464	0.2
119.01910	10.2
120.02002	0.3
121.48312	0.2
125.56514	0.2
128.98593	0.3
131.01910	0.3
134.99666	2.8
136.67545	0.3
137.02939	3.4
140.98593	0.6
142.03445	0.4
143.00096	0.3
143.01843	0.4
144.74110	0.2
146.99644	0.3
149.47928	0.2
150.94228	0.2
153.00819	0.7
158.99738	1.6
160.04446	0.3
161.01254	0.7
161.02916	0.7
165.99857	0.2
177.00932	19.7
178.01059	1.6
179.00673	1.1
180.00781	0.3
182.99835	0.6
189.00705	0.5
193.04092	0.4
195.01831	0.3
197.02887	0.8
200.02551	0.3
201.00858	1.4
215.04149	0.3
217.04062	3.0
218.03632	0.9
219.01984	24.0
220.02141	1.6
220.04311	0.4
221.01743	3.3
222.01804	0.3
225.00778	2.4
234.07301	0.3
236.99429	0.3
237.02821	0.7
237.98659	0.8
238.05556	0.5
242.03471	0.5
243.01958	7.7
243.04276	0.5
244.01964	0.3
256.06696	0.6
261.03033	100.0
262.03174	6.1
266.03522	0.4
279.00604	2.4
279.03403	0.5
284.04617	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	261.0756
Annotation	3,3',4,5,5'-Pentahydroxystilbene
Peak:m/z	Relative Intensity
53.03919	2.5
55.01873	3.9
56.96573	0.6
62.00888	0.8
67.05502	7.3
68.99779	9.1
69.03410	2.1
69.25511	1.9
69.25928	5.6
71.04986	1.6
79.05471	2.2
81.03411	5.9
81.07007	0.8
83.04965	2.7
85.02925	1.7
89.06027	1.6
91.05463	2.6
93.07064	1.8
95.04956	11.3
95.08586	1.0
97.02876	2.2
99.04441	0.9
103.05468	6.8
105.03378	0.9
105.07000	1.8
107.04948	23.2
109.02865	4.1
110.03618	1.1
111.00796	3.2
111.04438	1.2
115.05408	2.0
117.06979	1.9
118.06512	2.3
119.08549	1.6
121.02858	1.5
123.04419	72.6
123.08051	4.0
127.03910	9.3
128.06224	1.1
129.06987	1.6
130.06436	0.8
131.04912	20.2
131.08565	1.6
132.08069	2.2
133.06497	1.1
135.04395	9.3
136.05177	4.3
137.02303	2.2
139.03888	2.7
141.06963	5.4
144.08098	1.1
145.06494	3.5
145.07468	0.9
145.10085	1.3
146.05966	4.4
147.04388	2.6
147.08012	1.1
149.02324	2.2
149.05957	10.0
150.03104	1.4
151.03886	100.0
152.04655	5.3
153.05473	1.8
155.04948	1.2
156.09259	1.2
157.06453	0.9
159.04419	8.0
159.08037	2.6
161.05902	1.5
163.03882	2.4
169.06432	4.9
170.05994	2.9
171.04373	2.0
171.11674	0.9
173.05974	6.4
175.07487	1.7
177.05420	7.9
187.03926	1.0
187.07544	2.4
188.07031	10.2
189.05530	1.3
197.05975	9.7
199.11174	3.1
201.05458	4.5
214.02567	0.7
215.03448	0.8
215.07016	11.3
217.04916	0.8
217.12262	1.4
219.06526	3.8
219.10266	0.7
225.05347	3.6
243.06532	7.2
261.04050	2.7
261.07571	52.8
261.12003	2.6
262.07794	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1483
Annotation	Parahigginic acid
Peak:m/z	Relative Intensity
53.03941	2.1
55.01854	3.7
55.05490	4.0
57.03428	2.9
63.63350	1.7
64.86736	1.8
67.05481	7.1
68.99769	1.7
69.03399	6.6
69.07046	3.8
69.83153	2.8
69.83562	6.4
71.01295	1.6
71.04643	2.2
71.04984	25.2
73.02906	2.3
78.21246	1.7
79.05492	9.6
81.03413	15.7
81.07059	11.0
83.04946	2.1
85.02868	6.0
85.50943	1.3
91.05468	18.7
93.07033	11.0
95.04930	6.9
95.08559	5.5
97.02882	9.1
97.06524	2.2
98.20892	1.9
103.05473	4.0
105.07005	23.5
107.04967	9.3
107.08596	10.7
109.02875	2.9
109.06474	2.3
109.10107	5.0
111.04437	1.6
115.05436	5.3
116.83279	1.6
117.07011	13.6
119.04910	3.2
119.08559	11.8
120.08070	4.1
121.06461	4.9
121.10091	4.6
123.04411	16.4
127.03841	1.7
128.06201	9.0
129.06989	11.4
130.07787	8.5
131.04872	8.8
131.08549	15.1
133.06462	5.3
133.10115	9.6
135.04364	2.5
135.08032	3.7
135.11688	3.8
141.06961	4.0
142.07729	4.3
143.08530	11.3
144.09288	3.0
145.06444	7.4
145.10101	32.9
147.04352	1.9
147.07999	8.0
147.11650	4.7
149.05948	2.7
149.09569	2.1
151.03886	22.1
151.11133	2.1
153.06906	2.4
155.08537	6.7
156.09297	3.6
157.06425	5.1
157.10101	6.8
158.07248	6.2
159.04388	3.6
159.08034	10.8
159.11659	7.9
161.05908	3.0
161.09581	3.8
163.11153	2.0
165.12746	4.4
167.08574	3.0
169.10069	3.2
171.07982	9.7
171.11638	5.5
172.08878	3.0
173.09602	66.2
173.13182	4.6
175.07501	11.5
175.11130	5.2
177.05434	3.0
177.09010	4.0
177.12683	5.1
183.07985	2.7
183.11708	4.8
187.07497	2.0
187.11157	13.6
189.09047	6.4
189.12711	1.8
191.10661	11.6
197.13219	3.8
199.11163	3.1
201.09085	2.8
201.12698	10.6
213.12643	1.8
215.14229	10.0
217.12302	3.6
225.12695	5.4
230.87598	1.6
231.13733	5.1
233.15366	2.3
243.06435	2.8
243.13751	19.7
243.90912	1.8
247.25586	1.9
261.07346	9.9
261.14816	100.0
261.22400	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	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03933	3.1
55.01876	0.6
55.05505	13.1
57.03430	1.6
57.07070	4.5
59.04992	0.4
65.03934	1.9
67.05497	45.1
69.07061	13.5
71.04988	2.6
71.08622	1.7
77.03912	1.0
79.05483	58.1
81.07047	51.2
83.04981	0.8
83.08610	7.2
85.06525	3.5
91.04996	0.7
91.05470	31.1
93.07034	79.0
93.59046	0.4
95.04952	5.8
95.08596	38.7
97.06512	3.5
97.10156	3.0
99.08083	4.6
103.05431	0.6
104.91371	0.4
105.04506	1.1
105.07020	19.2
107.04948	0.8
107.08581	48.7
108.08910	0.5
109.06506	2.2
109.10140	14.7
111.08071	3.5
111.11725	0.5
113.09647	1.4
117.06998	7.9
117.07756	0.7
119.06062	0.8
119.08567	16.7
121.10128	45.8
122.10483	0.8
123.08071	1.9
123.11693	6.0
125.09612	1.3
129.06995	0.5
130.07780	0.5
131.08549	15.8
133.10115	14.7
133.11092	0.9
135.08006	0.5
135.11674	36.2
137.09624	1.5
137.13272	1.2
139.11188	0.8
145.10103	15.5
147.10501	0.6
147.11671	11.6
149.09601	0.9
149.13245	29.3
151.03958	0.8
151.11180	1.0
151.14833	0.9
153.12744	0.9
159.11682	10.8
161.13245	13.2
161.14601	0.7
163.14804	21.5
165.12706	1.1
171.11684	0.4
173.13242	10.5
175.14809	5.2
177.12732	0.7
177.16350	5.4
179.14224	2.0
187.14801	7.2
189.16254	1.0
191.14259	0.5
199.48950	0.4
201.16356	4.0
205.15825	0.8
215.17981	2.3
217.19455	0.7
219.17329	1.1
223.77165	0.4
229.21495	0.6
233.22597	1.0
243.21060	33.4
244.21289	0.6
261.22107	100.0
262.22403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03935	2.2
55.01870	1.1
55.05505	15.6
55.05758	1.3
57.03432	1.4
57.07063	4.4
65.03928	1.3
67.05496	43.5
68.18774	0.6
69.06725	0.9
69.07063	10.8
69.28895	3.9
69.29302	1.7
71.04977	2.4
71.08622	1.3
72.57841	0.5
77.03910	0.8
79.05484	60.7
81.07049	51.9
83.04966	0.9
83.08609	7.5
85.06525	4.0
90.27369	0.5
91.05471	29.8
93.07034	77.5
95.04945	5.2
95.08597	34.5
95.09057	0.8
97.06521	2.9
97.10152	2.7
98.20716	1.0
99.08083	3.7
103.05432	0.7
105.06313	0.9
105.07018	20.0
107.08583	45.4
109.06500	1.9
109.10148	14.7
111.08068	2.9
113.09634	1.1
117.07007	7.9
119.08566	15.8
121.10129	41.6
123.08058	2.3
123.11672	4.5
125.09595	0.7
130.07758	0.7
131.08546	13.6
133.10118	14.7
135.08102	0.7
135.11678	35.6
137.09598	1.4
137.13240	0.9
138.34653	0.6
145.10103	14.6
147.11679	11.2
149.09596	1.3
149.13234	28.4
151.11124	1.2
153.12755	0.8
156.53844	0.6
159.11676	10.9
161.13251	12.1
163.11075	0.7
163.14804	19.8
165.12643	1.1
172.08823	1.2
173.09656	0.7
173.13252	11.7
175.14783	4.2
177.12662	0.7
177.16362	6.2
179.14255	2.1
187.14804	7.3
189.16374	1.4
201.16377	3.1
205.15974	0.7
215.10667	4.4
215.17918	1.7
219.17366	1.0
230.93945	0.6
233.22632	1.0
243.21056	30.4
248.56877	0.5
261.11316	1.4
261.22107	100.0
262.22452	1.3
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
51.02368	0.9
53.03934	3.4
55.01875	0.9
55.05507	14.3
57.03431	1.7
57.07076	3.5
65.03528	0.6
65.03926	1.8
67.05498	45.0
68.63264	0.6
69.07061	13.2
69.88226	2.2
69.88638	1.0
71.04975	2.6
71.08610	1.2
71.74687	0.7
77.03880	0.9
79.05485	58.6
79.33584	0.5
80.05829	0.8
80.83844	0.6
81.03415	0.6
81.07047	49.6
82.10819	0.6
83.08611	6.3
85.06522	3.7
91.04893	1.2
91.05473	33.1
93.07032	79.3
95.04962	6.4
95.08595	35.2
97.06521	4.0
97.10140	2.1
98.21401	0.9
99.08070	3.4
103.05445	1.1
105.04535	0.9
105.07022	20.7
105.45587	0.6
107.04932	0.7
107.08581	50.8
107.28704	0.5
109.06503	2.7
109.10148	16.1
111.08087	2.7
111.11726	0.8
113.09624	1.4
114.53916	0.5
115.05463	0.8
117.06998	6.5
119.08566	17.3
121.10130	44.6
123.04440	1.2
123.08035	1.2
123.11692	5.0
125.09639	1.0
125.67683	0.6
127.11201	0.9
129.07025	0.6
131.08554	14.5
133.10124	14.5
135.08032	1.0
135.11678	36.3
137.09595	1.7
137.13248	2.4
139.11147	0.7
142.56519	0.5
145.10101	14.7
147.11671	11.0
149.09602	0.9
149.13246	26.4
151.03877	1.2
151.11208	1.1
153.12712	0.8
157.10216	0.7
159.11661	11.1
161.13252	11.2
163.11195	0.9
163.14812	17.6
165.12727	2.0
171.11679	0.6
173.13242	9.9
175.14828	5.5
177.12750	0.6
177.16376	5.5
179.14320	1.5
187.14804	7.3
189.16383	1.1
193.16000	0.7
201.16386	3.3
215.17981	1.4
217.19603	0.7
219.17345	1.0
233.22694	1.0
243.21063	32.9
261.07617	1.5
261.22110	100.0
262.22351	1.7
274.46820	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98655	0.5
53.03939	3.2
55.05505	15.5
57.03421	1.5
57.07072	4.1
65.03934	2.0
67.05497	42.6
69.07059	13.8
70.56474	2.3
71.04975	2.4
71.08613	1.8
72.83727	0.6
77.03920	0.8
79.05484	60.4
81.07047	47.4
83.08608	7.3
83.09071	0.9
84.76831	0.5
85.06548	3.4
91.05472	31.8
93.07033	78.6
94.07362	0.8
95.04962	5.5
95.08596	35.6
97.06519	4.0
97.10162	2.8
99.08099	3.0
101.47504	0.5
103.05436	1.0
105.04502	1.7
105.07019	20.0
107.08579	51.3
109.06500	2.1
109.10140	14.6
111.08080	3.5
111.11672	0.6
113.09673	0.7
117.07018	6.4
119.08562	15.6
119.09359	1.0
121.06528	0.6
121.10131	46.1
123.08067	1.8
123.11688	4.8
125.09599	1.1
129.07021	1.0
130.07785	0.7
131.08553	15.5
131.09531	1.1
133.10109	13.8
135.08049	0.7
135.11678	37.3
137.09579	1.8
137.13252	1.5
142.00908	0.6
145.10098	14.8
147.11665	12.8
149.09581	1.4
149.13243	27.5
151.03847	1.0
151.11150	1.0
153.12752	1.0
159.11682	10.6
161.13220	12.6
163.11150	0.8
163.14801	18.9
165.12732	1.4
173.13251	11.5
175.14838	4.5
177.16397	4.7
179.14253	1.6
187.14787	7.2
189.16367	1.3
191.14212	1.0
201.16374	4.0
205.15926	0.9
215.17882	2.2
233.22586	1.9
242.49855	0.5
243.18503	1.4
243.21056	30.1
261.22107	100.0
262.22339	1.6
275.61798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02347	0.6
53.03942	3.3
55.01863	1.0
55.05262	1.0
55.05507	17.3
57.03418	1.5
57.07071	4.9
65.03928	2.8
67.05498	46.9
69.07060	15.3
69.17867	4.8
69.18292	3.4
71.04965	2.8
71.08608	2.1
77.03894	0.7
79.05484	70.4
80.05785	0.8
81.07047	53.8
83.04980	1.7
83.08604	7.9
85.06531	4.6
91.04903	1.7
91.05473	34.2
93.07034	88.9
94.07336	0.8
95.04966	6.6
95.08597	43.3
97.06520	3.9
97.10156	3.8
99.08085	4.2
105.04498	2.1
105.07015	24.1
107.08584	57.0
109.06500	2.8
109.10135	17.0
109.10833	1.4
111.08085	3.7
111.11710	0.7
113.09644	0.9
117.07007	8.8
119.08561	18.1
121.10128	52.0
123.08046	1.7
123.11687	5.2
129.06963	0.9
130.07759	0.9
131.08566	17.7
132.08858	0.7
133.10114	17.2
135.11676	38.8
137.09621	1.3
137.13203	1.9
145.10101	16.6
147.11667	15.3
149.09631	1.1
149.13242	32.1
151.11156	1.1
151.14789	1.0
153.12766	1.4
159.11664	11.1
161.13225	13.8
163.14804	21.3
165.12686	1.0
171.11574	0.8
173.13254	12.9
175.14828	6.2
177.12711	0.8
177.16356	5.2
177.52808	0.7
179.14308	1.9
187.14796	8.4
189.16292	0.8
201.16342	4.3
203.17819	1.2
215.10654	0.7
215.17892	2.4
215.49939	0.6
217.19467	1.0
219.17393	0.9
233.18907	0.8
233.22562	1.3
243.21059	31.7
261.07541	1.0
261.22110	100.0
262.14355	2.3
262.22394	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.5
56.17017	0.3
56.96556	3.0
57.03423	1.4
57.07068	0.3
58.06610	0.7
59.04998	9.7
59.07384	0.6
60.08159	7.6
61.02925	0.5
62.89326	0.3
67.05520	0.3
69.03422	1.0
70.06595	0.7
70.10651	1.4
71.04993	0.6
73.02906	0.6
81.03405	0.6
83.04964	0.8
84.04498	0.3
84.08146	0.8
85.02898	100.0
86.03230	0.6
88.07607	0.3
91.05476	0.5
95.05002	0.5
97.02883	1.1
98.97571	2.8
103.03948	0.4
109.02934	0.4
110.97593	0.5
116.98597	2.5
119.01879	1.1
122.03692	0.4
124.07620	1.2
127.03912	0.3
128.98616	0.5
130.08609	0.5
131.01855	0.6
134.99648	1.4
135.04407	0.5
137.05978	0.6
137.29858	0.3
143.00165	0.3
143.01889	0.6
144.10173	2.8
145.04953	12.1
146.99661	0.4
147.04350	0.7
158.99641	0.8
161.01363	0.3
161.01770	0.3
161.02975	2.3
163.03914	1.4
174.04405	0.5
177.00749	0.9
184.83562	0.3
185.08054	2.1
191.03918	0.4
203.04074	0.4
203.09140	0.4
204.05458	0.4
204.12355	0.9
217.05464	0.5
219.01828	0.4
237.02823	0.9
242.03987	0.3
251.04202	0.5
257.03049	0.4
262.16498	45.4
263.05795	0.6
263.16840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2163
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
55.05519	1.0
57.05001	0.6
57.07059	1.3
58.06583	0.9
61.93788	0.6
62.98964	0.6
67.05489	1.3
68.05837	0.6
69.07044	2.3
70.03136	3.2
70.06581	0.8
72.08138	1.7
79.05463	2.5
81.07030	2.6
89.80222	0.6
91.05474	3.5
93.07030	3.4
95.08635	2.9
96.08085	1.8
105.07024	5.1
107.08585	2.9
108.08893	0.6
109.10108	1.7
110.09589	0.8
117.07015	0.9
119.08549	3.8
121.10090	2.2
121.71535	0.6
131.08559	3.1
133.10103	2.5
135.11656	1.1
143.08505	1.2
145.10077	4.5
147.11676	5.9
148.11122	0.7
150.55603	0.7
157.10156	1.1
159.11665	2.1
160.11140	0.7
161.13240	1.4
171.11647	2.0
173.13292	0.9
174.18895	0.6
175.14793	0.8
185.13133	0.7
186.12788	2.6
187.13553	0.6
187.14845	5.2
188.14264	1.5
190.15862	0.9
200.14305	2.1
201.15074	1.9
202.15959	1.0
203.17908	4.9
216.17453	1.4
227.17975	0.9
229.18291	1.2
233.19196	0.6
243.69484	0.6
244.20573	53.1
262.14444	3.0
262.21628	100.0
263.08282	0.9
263.21997	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2163
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
55.05496	3.0
57.07050	1.0
58.06591	0.7
60.04527	3.8
64.46346	0.6
67.05504	4.6
69.07055	6.6
70.06580	11.2
70.08789	1.2
70.09180	2.0
77.45557	0.6
79.05489	3.2
81.07050	9.1
83.08620	1.1
91.05465	4.9
93.07037	15.1
95.08053	1.1
95.08599	13.0
97.09058	0.6
98.29946	0.7
100.34283	0.7
105.07020	18.2
107.08579	10.4
109.10152	14.5
112.00740	0.6
112.07619	4.4
117.06967	1.0
119.08568	17.9
120.28930	0.6
121.10134	6.3
123.11674	6.2
131.08530	0.8
133.10107	10.3
135.11674	4.8
138.12694	1.0
145.10156	0.9
147.11678	12.4
160.12129	0.7
161.13245	10.8
175.14803	2.6
191.00685	0.7
203.12949	0.8
203.17943	7.4
216.11031	1.2
220.20595	1.2
244.21286	1.6
246.11234	2.7
247.11906	2.2
262.14355	20.4
262.21634	100.0
263.08578	0.7
263.22092	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43994	36.3
76.28145	18.5
77.82335	14.8
78.45148	16.3
84.22114	15.9
89.09923	16.0
91.77696	17.4
101.00863	31.6
119.01900	58.8
131.01901	30.7
143.01889	47.8
161.02956	100.0
161.24500	17.8
173.02954	40.1
203.03799	24.2
222.27548	16.7
263.01581	70.2
263.06177	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	263.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44880	4.9
69.47045	44.8
69.47383	9.1
70.74706	5.9
78.27255	4.9
85.02888	11.7
97.02870	6.4
98.20766	12.5
101.00863	19.9
119.01919	29.4
131.01898	16.9
143.01913	36.6
145.03416	7.6
155.01909	12.5
157.03459	7.0
161.02937	100.0
173.03000	30.1
185.02957	11.4
191.03987	16.5
203.03973	17.8
221.05017	8.1
263.01614	20.4
263.06006	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14375	0.7
63.18839	0.8
67.07882	0.7
69.65827	1.6
69.66241	4.1
70.99824	1.0
77.00901	2.1
81.03382	0.9
82.99843	1.3
89.00870	1.4
95.01910	1.1
101.00871	13.7
115.02399	1.8
119.01916	29.3
126.74617	0.7
127.02420	1.1
131.01883	3.8
137.02942	3.6
139.02423	2.5
143.01897	14.4
145.03448	6.3
155.01907	0.8
157.03445	14.9
159.01393	2.1
161.02943	46.0
162.02942	0.8
163.04564	1.1
163.31274	0.7
167.32472	0.7
173.02922	2.9
175.04565	5.5
179.03981	1.5
185.02950	5.1
185.67368	0.7
187.04480	1.6
191.03973	1.4
203.03996	17.5
221.05060	13.1
239.06071	7.5
263.06104	100.0
264.06235	1.4
281.07101	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	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14375	0.7
63.18839	0.8
67.07882	0.7
69.65827	1.6
69.66241	4.1
70.99824	1.0
77.00901	2.1
81.03382	0.9
82.99843	1.3
89.00870	1.4
95.01910	1.1
101.00871	13.7
115.02399	1.8
119.01916	29.3
126.74617	0.7
127.02420	1.1
131.01883	3.8
137.02942	3.6
139.02423	2.5
143.01897	14.4
145.03448	6.3
155.01907	0.8
157.03445	14.9
159.01393	2.1
161.02943	46.0
162.02942	0.8
163.04564	1.1
163.31274	0.7
167.32472	0.7
173.02922	2.9
175.04565	5.5
179.03981	1.5
185.02950	5.1
185.67368	0.7
187.04480	1.6
191.03973	1.4
203.03996	17.5
221.05060	13.1
239.06071	7.5
263.06104	100.0
264.06235	1.4
281.07101	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	263.1386
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
50.74429	2.6
60.77135	2.5
62.62728	2.7
67.02985	17.0
71.53035	4.2
80.04996	5.9
80.51003	2.9
81.07053	3.3
86.11641	2.5
94.06598	5.9
95.07331	10.5
95.08595	2.8
106.83620	2.4
107.06057	2.4
107.06955	3.0
119.08600	2.9
124.05138	2.8
125.07098	33.3
132.24580	2.4
145.06516	5.0
147.08038	5.7
151.07524	5.5
161.09586	2.9
162.09193	2.8
164.07065	4.3
165.09117	6.8
166.08559	6.1
172.08821	9.1
176.07039	14.9
177.09059	3.8
188.08328	9.3
189.09064	7.8
190.08540	4.9
191.08099	8.3
192.06642	6.3
193.10344	2.7
199.08621	4.3
203.10661	22.6
204.09998	4.0
204.11600	4.5
214.11011	5.2
218.11699	6.0
220.09744	3.2
220.13319	8.1
229.09619	5.3
231.11270	11.2
245.12779	14.5
246.11302	3.5
246.13562	5.1
263.08145	5.0
263.13885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.94839	0.9
53.03931	1.8
55.01867	1.2
55.05231	1.2
55.05502	17.9
57.03429	2.2
57.06832	1.1
57.07072	14.6
63.17926	1.1
65.03925	3.4
66.20390	0.9
67.05496	92.0
69.03414	1.3
69.07062	18.5
69.27885	8.4
71.04965	2.8
71.08616	7.6
79.05483	22.8
81.07045	100.0
83.04947	1.7
83.08607	14.9
85.06522	4.0
85.10149	3.8
91.05473	19.5
92.37630	1.0
93.06478	1.8
93.07034	26.8
95.04961	2.4
95.08595	91.6
97.06524	6.9
97.10154	6.9
99.08072	6.5
105.07022	13.7
107.08580	17.7
109.06479	2.0
109.10142	47.1
111.08073	5.3
113.09606	3.3
119.08572	12.5
121.10123	18.4
123.08102	2.7
123.11690	20.9
125.09592	2.0
131.08586	1.9
133.10110	16.4
135.11668	8.5
137.09616	2.6
137.13243	7.9
141.12724	1.5
147.11658	10.8
149.13239	8.8
151.14793	8.9
155.14288	1.4
161.13243	10.2
163.14824	9.3
165.16388	8.5
175.14795	7.6
177.16344	1.8
179.17914	3.8
181.15784	1.1
189.09041	1.1
189.16385	5.4
203.17964	2.1
245.22630	32.5
246.22849	1.3
263.08359	2.4
263.23676	64.5
264.23837	2.2
269.97021	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03955	1.8
54.39928	0.6
55.05507	12.7
55.05764	1.3
57.03428	2.2
57.07068	10.2
61.57019	0.6
61.70519	0.7
65.03934	2.9
66.50144	0.6
67.05499	84.9
69.03436	0.6
69.07063	16.9
69.07420	1.2
69.47227	5.1
71.04998	1.7
71.08618	6.9
79.05487	20.5
81.07049	100.0
82.07390	1.3
83.04982	2.4
83.08610	14.2
85.06548	4.0
85.10166	3.3
91.05474	15.5
93.07033	25.2
95.04979	1.7
95.08598	85.3
96.08906	0.7
97.06516	8.2
97.10172	6.0
99.08073	4.7
105.07011	10.9
105.07689	1.0
107.08591	13.7
109.06501	2.0
109.10148	42.2
111.08067	5.8
111.11720	1.8
113.09620	3.8
119.08574	13.1
121.09227	0.8
121.10130	17.2
122.81716	0.6
123.08066	2.4
123.11687	19.5
125.09652	1.4
127.11185	1.7
131.08574	0.9
133.10129	15.6
135.11678	9.5
137.09605	2.3
137.13254	6.8
139.11200	1.1
141.12749	2.0
147.11668	10.1
149.13232	6.4
151.11194	1.8
151.14806	8.3
155.14265	0.8
161.13251	11.1
163.14795	6.2
165.12869	0.8
165.16391	9.5
166.36797	0.6
167.14282	0.9
175.14804	8.6
177.16362	1.6
179.14380	0.9
179.17928	3.8
181.15865	1.8
189.16342	3.7
192.38591	0.7
193.15878	0.7
203.17999	1.5
207.17461	0.7
217.19745	1.2
245.22629	29.4
263.08258	2.8
263.23682	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
55.01855	3.9
55.05484	5.2
67.05486	4.3
69.03411	9.3
69.07062	5.3
71.04970	2.5
71.52776	2.9
75.70245	1.9
77.18562	2.3
79.05482	6.9
81.03400	24.3
81.07046	11.2
83.04961	3.9
83.08607	4.3
85.02876	6.7
91.05468	11.6
92.22948	2.1
93.07041	7.0
95.04953	4.1
95.08595	11.0
97.02885	3.2
99.04473	2.9
103.05454	6.6
105.07036	8.2
107.04941	4.6
107.08601	4.7
109.02855	15.6
109.10137	4.4
111.04427	3.2
115.05441	30.2
116.98647	2.8
117.07002	46.4
119.08552	6.0
121.02852	45.3
121.10115	3.9
123.07986	2.3
123.11678	4.2
127.03865	3.3
128.06165	3.7
129.06976	7.3
130.04108	4.1
131.04900	4.5
131.08551	9.0
132.05707	2.8
133.06480	3.4
133.10133	5.1
135.07994	2.5
135.11676	3.0
137.05922	2.8
137.09586	2.4
139.03880	4.1
141.06993	4.3
143.04901	3.5
144.05728	5.8
145.06468	87.4
145.10112	3.7
147.04477	2.5
147.08038	5.8
149.09572	3.9
153.05602	2.4
155.05997	14.7
156.05675	21.2
157.06453	3.8
159.08052	10.7
159.11646	2.6
160.05212	3.1
161.05960	7.6
163.03899	3.0
165.06979	7.5
166.07735	4.1
167.07022	4.5
169.06390	2.2
173.05969	100.0
175.07431	4.6
184.05261	3.4
187.07559	9.8
187.11092	2.4
190.06256	42.5
191.07010	4.1
193.06473	2.2
194.07236	16.5
202.06271	5.4
203.07030	18.8
205.06601	4.9
205.08562	76.5
217.08592	55.1
219.10135	4.3
221.05910	2.5
222.06741	8.2
229.15964	2.5
235.09660	5.4
237.09018	7.7
247.09650	8.8
247.13293	4.2
247.17021	3.4
250.06207	3.3
265.08789	20.1
265.10864	4.2
265.14371	4.7
265.17850	4.8
265.25146	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92313	0.5
53.03928	1.1
55.01864	1.4
55.05490	1.1
57.07080	0.7
67.05495	1.0
69.03413	0.6
69.07059	1.4
70.44300	1.5
70.67585	0.5
77.03933	0.7
79.05480	5.1
81.03407	0.7
81.07034	2.1
83.04943	0.7
83.08582	0.6
91.05481	3.6
93.07021	1.8
95.04945	1.4
95.08590	1.4
103.05461	4.2
104.06249	0.7
105.07026	12.2
107.04968	2.9
107.08588	1.8
109.06430	0.6
109.10158	0.9
115.05428	0.6
117.07027	1.1
118.04146	2.5
119.04945	2.2
119.08566	1.5
120.05722	1.8
121.06482	4.0
121.10133	0.6
122.07270	1.8
123.08064	0.9
131.04927	1.3
131.08588	0.9
132.05702	1.2
133.06477	10.2
134.07251	5.4
135.04407	3.5
135.08049	5.1
137.05911	0.6
137.09612	1.0
145.06468	1.4
145.10162	0.7
147.04385	2.1
147.08017	0.6
148.05193	1.2
149.05963	1.6
150.06749	24.1
151.07487	2.2
159.08086	1.0
159.11690	0.7
160.08835	0.7
161.05971	1.9
162.06754	11.0
163.07542	6.0
165.09102	100.0
166.09468	0.9
167.07089	0.7
173.05957	1.5
175.07443	0.8
175.11360	0.7
176.08403	0.6
178.06271	1.7
187.07509	0.6
189.09100	1.4
190.06174	1.1
191.07013	0.8
191.10649	1.5
192.07922	0.5
193.08588	27.0
201.16707	0.5
204.07832	0.9
205.08574	3.6
207.10120	1.4
217.08505	0.7
219.10179	1.0
235.09674	1.0
247.09663	1.0
247.16994	1.0
250.06146	0.5
265.08420	0.8
265.10489	2.4
265.21851	0.7
265.25366	0.7
288.47092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
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
53.03942	8.6
55.01865	8.4
55.05500	12.9
58.06613	4.1
64.69524	3.6
65.03921	8.6
67.05498	28.3
69.03424	27.8
69.07050	10.5
71.04987	8.1
71.52499	5.6
72.08148	17.2
72.37901	3.4
79.05492	20.2
81.03408	19.7
81.07059	17.4
83.04981	15.2
83.08589	3.8
85.02907	6.7
85.06509	4.0
87.04442	3.5
89.00606	4.1
91.05464	49.1
93.03388	5.9
93.07037	38.8
95.04959	34.5
95.08587	20.0
97.02885	7.6
97.06520	8.1
99.04443	5.5
105.03388	5.4
105.07022	65.4
105.07688	6.0
107.08578	22.5
109.02873	24.0
109.06513	22.6
109.10141	13.6
111.04430	24.8
111.08082	9.3
113.06017	13.6
115.05441	10.2
116.06237	6.1
117.06998	20.9
119.08574	73.4
120.08111	16.5
121.02845	36.1
121.06499	35.3
121.10143	9.8
123.04412	4.9
123.08045	25.4
125.05989	3.4
127.03876	6.8
128.06233	6.7
129.04822	3.9
129.07005	16.0
131.04886	4.8
131.08533	36.1
133.06488	14.7
133.10124	16.6
135.08038	63.2
137.06010	7.7
137.09612	9.5
139.03906	15.2
139.07518	6.9
139.12270	3.7
141.06955	5.9
142.07788	6.1
143.08525	11.5
144.05699	7.3
144.09338	6.1
145.06529	18.8
145.10086	22.6
147.08029	39.4
147.11681	14.9
149.06035	7.2
149.09613	12.7
149.13190	4.2
151.07538	8.4
153.09134	7.3
155.08513	10.4
155.10661	3.9
156.09253	5.9
157.06506	3.6
157.10075	20.2
158.07275	19.1
159.01085	4.9
159.08035	40.8
159.11690	29.1
160.07591	5.5
160.08850	5.8
161.05989	4.1
161.09610	34.3
163.07515	5.1
163.08759	6.4
163.12358	4.3
165.09116	20.8
167.06999	5.0
168.09393	7.5
169.10126	7.2
171.11670	7.8
172.08867	15.9
173.05998	8.3
173.09637	21.2
173.13185	18.0
174.06671	3.8
174.09114	6.0
175.07536	66.0
175.11104	29.7
177.02156	4.7
177.10333	5.5
178.08632	15.7
181.09991	4.2
183.11707	10.1
185.09499	6.4
186.10378	5.7
187.07593	10.5
187.11168	34.5
189.09047	8.5
189.12787	9.5
191.06972	6.7
191.08528	5.3
193.08585	18.6
193.10141	4.6
194.04767	4.1
196.08774	5.8
199.11200	12.3
201.12640	17.2
202.08626	7.0
203.10590	29.0
205.09914	6.3
205.12181	7.3
211.11107	18.9
217.12143	17.4
219.11510	5.4
219.13626	5.7
220.09637	8.9
229.12192	21.3
235.13220	4.7
247.13437	27.3
265.06979	10.7
265.08640	5.3
265.11813	100.0
265.14941	44.7
265.25339	6.9
266.18826	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
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
53.03940	8.0
55.01864	7.1
55.05502	17.8
57.03431	3.7
65.03937	11.4
67.05499	33.4
69.03419	43.1
69.07050	8.7
70.77652	8.7
71.04989	8.2
79.05487	30.8
79.59396	3.1
81.03394	17.4
81.07056	26.9
83.04963	9.7
84.02135	3.0
89.19978	2.6
91.05469	65.2
91.45231	3.6
93.03399	9.7
93.07034	53.5
95.04953	52.1
95.08592	30.5
97.02887	9.9
97.06524	11.4
99.04440	6.5
103.05457	7.4
105.07014	77.3
107.08570	31.4
109.02844	17.8
109.06521	39.4
109.10128	10.5
111.04427	36.6
111.08073	14.9
113.02322	3.8
113.05978	23.5
115.04697	3.0
115.05457	11.6
116.06261	6.1
117.06997	27.3
119.04951	3.4
119.08572	100.0
120.08172	3.0
121.02850	30.6
121.06493	53.7
121.10132	14.8
122.07128	4.9
123.04411	6.2
123.08023	38.6
125.05927	3.7
125.09628	3.2
127.03932	3.9
128.06171	14.3
129.06975	27.8
130.07768	9.8
131.04947	5.4
131.08540	47.3
132.05646	3.7
133.06482	11.4
133.10091	25.0
135.04459	4.0
135.08037	99.7
137.05983	8.6
137.09622	21.3
138.63670	3.3
138.82460	3.2
139.03891	16.3
139.07527	9.3
141.06984	13.6
142.07774	15.3
143.08565	18.4
144.05702	10.7
144.09358	9.2
145.06465	17.9
145.10110	38.9
146.07233	4.2
147.04401	3.4
147.08023	53.7
147.11678	19.3
149.06006	7.8
149.09581	14.2
151.07512	8.5
151.45903	3.2
153.06990	4.5
153.09015	6.2
154.07777	3.8
155.08566	12.0
156.09305	9.9
157.06488	6.4
157.10150	24.1
158.07262	27.4
158.10870	6.4
159.08049	52.9
159.11676	50.5
160.08826	5.6
161.06003	7.3
161.09601	41.0
161.13225	6.0
163.07526	7.2
163.11131	4.1
165.05534	3.5
165.09079	33.4
168.09352	10.8
169.10100	4.7
171.08040	10.3
171.11681	10.8
172.08810	22.9
173.05972	4.2
173.09590	22.6
173.13228	22.9
175.07530	92.2
175.11157	40.4
177.05458	10.0
177.09079	4.2
181.06476	4.4
183.11678	14.9
185.09610	7.4
186.10426	8.5
187.07544	8.7
187.11177	46.4
189.07478	3.4
189.08997	15.3
189.12691	15.8
191.07050	6.2
193.08615	22.3
193.10146	5.6
196.08806	10.1
199.11134	17.4
201.12704	43.2
203.10664	52.0
205.08643	9.1
205.12285	10.0
207.10123	4.4
211.11166	27.8
217.12195	34.7
219.10356	3.7
219.13869	13.8
229.12161	30.2
235.13351	8.0
247.09641	4.2
247.10626	4.2
247.13202	52.7
265.07193	6.3
265.10953	9.4
265.14462	61.6
288.07059	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	265.1432
Annotation	Merulanic acid
Peak:m/z	Relative Intensity
50.84673	4.4
53.03943	6.0
55.05503	6.6
55.56205	4.9
56.96549	9.6
57.03433	6.2
57.07074	7.7
59.04990	9.1
64.71346	4.3
66.03815	4.6
67.05502	7.4
67.69670	4.3
69.03427	18.0
69.07050	7.5
70.75082	10.4
70.75420	5.2
73.02893	9.8
79.05480	13.9
81.03422	34.9
81.07056	14.0
83.04981	48.4
85.02897	7.8
91.05455	18.0
93.07029	21.0
95.04966	21.1
95.08610	10.1
97.02887	13.5
97.06535	9.5
98.97553	5.4
105.07017	19.0
107.08589	31.4
109.02865	24.7
109.06509	12.1
109.10165	6.0
111.04445	25.1
111.08045	9.2
113.05991	18.7
115.05464	6.1
117.07011	18.0
119.08559	17.8
121.02859	40.5
121.06515	33.2
121.10162	8.6
123.08057	14.8
127.03896	8.0
128.98586	10.1
129.06923	5.8
131.08566	12.6
133.10144	10.9
135.08051	68.9
137.06003	9.3
137.09621	6.1
139.03929	6.3
143.08569	8.8
144.09193	4.9
145.06445	13.7
145.10107	7.8
147.08060	12.7
149.05974	6.6
149.09601	15.1
151.03879	6.8
151.07535	6.8
153.09093	17.7
159.08035	9.4
159.11638	14.1
161.09576	10.2
163.07530	59.0
163.11195	18.4
165.09079	6.0
172.08879	8.6
173.06021	6.9
173.09560	7.7
173.13272	20.1
183.11606	5.3
186.10371	10.2
187.11221	38.7
191.06949	22.0
201.12732	36.5
205.12286	13.2
209.08057	6.4
211.11188	8.3
219.13737	14.9
222.06726	6.2
229.12231	43.9
230.03358	5.9
247.13290	100.0
247.17041	6.0
257.04395	6.7
265.08658	8.3
265.11502	5.9
265.14365	31.7
265.17969	4.8
287.05380	25.8
288.05750	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	265.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
53.18594	1.1
55.05267	1.5
55.05507	16.0
57.07067	10.3
59.04986	2.2
65.03916	1.8
67.05501	22.2
67.41924	1.0
69.03417	3.0
69.07065	29.9
70.85802	1.9
70.86105	1.3
71.04972	3.0
71.08613	2.5
78.44518	1.2
79.05476	10.4
81.03417	11.5
81.07050	80.2
83.08613	14.0
85.06519	4.4
91.05463	3.9
93.07035	14.2
95.04971	1.4
95.08598	100.0
96.08968	1.3
97.10162	10.4
98.97554	1.2
99.04455	1.4
99.08036	1.2
105.07015	3.4
107.08595	16.5
109.02884	5.7
109.06511	1.9
109.10150	37.1
111.11732	7.3
113.09603	2.7
119.08556	2.5
121.02861	18.6
121.10124	12.1
123.11694	28.0
125.09563	1.5
125.13273	2.7
131.08595	1.9
135.07990	1.5
135.11676	13.8
137.13245	56.4
145.06444	1.5
147.04388	1.6
149.13223	9.0
151.14818	4.4
159.08008	1.3
163.14795	7.1
165.05376	1.2
165.16350	2.8
175.02295	1.0
177.16386	6.0
191.17865	6.9
205.08543	1.6
221.05792	1.4
247.24161	9.4
262.41769	1.1
265.07065	4.0
265.14587	1.4
265.18118	1.9
265.25241	13.7
276.16504	1.1
281.25717	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2523
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03938	2.0
55.01850	1.4
55.05506	27.7
57.03433	1.3
57.07073	13.1
57.41613	0.9
65.03917	1.9
67.05500	39.0
69.03421	2.5
69.07062	47.3
69.96154	4.2
71.04970	4.1
71.08633	5.9
77.03886	0.9
79.05482	18.1
81.03408	4.6
81.07047	89.4
81.34867	0.9
83.04979	1.2
83.08150	1.7
83.08609	25.4
85.02880	1.2
85.06536	16.8
85.10150	2.5
91.05474	5.9
93.07033	28.9
95.04963	2.0
95.08598	100.0
97.06514	2.4
97.10154	17.8
98.20817	1.2
98.97549	2.7
99.04411	1.0
99.08083	11.2
105.07001	3.4
107.08583	29.2
109.02857	3.8
109.10145	47.3
111.08046	4.0
111.11717	8.9
113.09626	2.6
116.60427	0.9
116.98640	2.1
117.06963	1.2
119.08557	2.0
121.02827	3.7
121.10133	20.5
123.11691	24.3
125.09615	3.7
125.13291	1.3
127.11178	1.7
131.04865	0.9
131.08542	2.5
133.10152	1.5
135.08046	1.2
135.11673	19.4
137.13252	15.0
139.11069	1.3
145.06503	0.9
145.10097	1.7
147.04382	1.0
147.11674	0.9
149.09564	0.8
149.13226	15.2
151.14810	9.6
153.12665	1.3
159.08075	1.3
161.05878	1.1
161.13168	0.9
163.07457	0.8
163.14796	12.1
165.16380	5.7
167.14276	1.3
177.00719	1.5
177.16396	8.8
191.17957	11.2
194.07181	1.0
195.17473	2.2
205.08490	1.2
205.19408	1.3
207.21083	2.1
209.19022	1.2
247.13254	1.2
247.16960	1.4
247.24188	19.6
265.08517	2.9
265.11002	1.2
265.14331	1.4
265.25244	29.5
266.25549	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16356	0.4
53.61906	0.5
57.03417	1.4
58.06606	0.9
60.08159	7.5
61.02920	1.4
69.03432	4.7
71.51506	0.4
73.02929	2.7
81.03397	1.4
85.02893	6.3
85.79176	0.6
87.04462	8.6
91.03983	0.5
92.62095	0.4
97.02881	1.8
98.97566	0.6
99.04444	3.4
102.00941	0.9
103.00626	0.9
104.10735	49.6
109.02860	0.9
119.01929	2.3
120.02014	3.7
121.01624	1.8
127.03899	1.9
137.02895	0.5
138.03035	0.5
143.01947	0.5
157.03464	0.6
158.03616	1.9
159.03197	0.5
162.02954	1.0
163.02641	0.6
164.03030	1.4
176.04715	1.4
177.04079	0.7
186.04681	0.9
206.05786	0.9
224.06790	2.1
233.05371	0.5
242.07948	0.8
261.03073	0.8
266.08121	7.4
266.15970	100.0
267.07477	1.2
267.16370	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01849	2.5
55.05500	2.6
56.47025	1.9
57.86831	1.9
67.05471	3.1
69.03432	3.4
69.07067	3.4
69.28685	20.2
71.04985	2.4
79.05474	5.8
81.03406	11.0
81.07033	5.3
82.03765	2.1
83.04961	3.0
85.15473	1.9
91.05497	8.9
93.07034	6.7
95.04952	5.6
95.08588	5.7
97.06496	2.4
97.97592	1.7
98.21476	3.6
98.97557	2.0
103.05453	3.1
105.03365	2.7
105.07026	10.2
106.05202	1.9
107.04945	100.0
107.08564	5.5
109.02871	7.8
109.06526	4.6
111.07946	2.0
115.05425	15.3
117.07011	3.7
119.08562	4.5
121.10129	3.6
123.08031	2.4
123.11661	2.3
128.06207	4.7
129.06996	10.7
130.87373	1.8
131.04907	5.2
131.08586	9.1
133.06483	2.6
133.10080	3.8
135.04414	8.4
135.08032	1.9
137.05930	3.2
141.06964	2.3
143.04910	11.7
143.08470	2.5
144.05664	6.7
145.06468	11.9
147.08115	1.9
147.11697	3.3
149.09517	2.5
151.03873	4.4
157.06477	5.2
159.08028	13.3
161.05960	6.6
161.09563	4.4
165.07008	2.5
170.07251	2.4
171.08041	3.5
173.05963	13.6
181.06558	2.9
181.10049	2.8
187.07530	10.4
189.09065	3.0
191.08525	4.4
194.07191	4.4
203.06995	2.7
204.07854	4.8
209.09564	10.4
219.10127	5.1
228.93939	2.3
231.10245	2.7
237.09085	9.7
249.11226	47.0
249.18579	2.4
267.10135	57.5
267.15955	6.7
268.10403	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	267.1588
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03951	4.0
55.01860	2.2
55.05508	8.6
56.80865	0.5
57.03431	20.6
57.07060	1.6
65.03939	0.8
67.05499	13.2
69.03410	2.1
69.07054	3.3
71.04344	1.4
71.04985	1.8
71.08625	0.7
75.73995	0.6
76.20711	0.6
79.05487	12.9
81.03408	100.0
81.07050	13.9
83.04982	5.2
83.08607	13.4
85.06518	1.3
91.05466	14.7
91.06016	1.2
93.07028	9.3
95.04955	20.3
95.08604	8.0
97.02878	2.3
97.06512	1.6
97.10150	3.2
97.69505	0.6
105.07017	12.5
107.04939	5.0
107.08612	2.3
109.06496	3.1
109.10145	3.7
111.04415	2.1
111.08059	6.2
113.06028	0.8
115.05483	1.1
117.07021	1.3
119.04910	0.8
119.08560	10.5
121.06479	1.8
121.10124	5.0
122.00529	0.7
123.08058	2.6
123.11675	1.8
129.06998	9.0
130.29663	0.6
131.08556	6.9
133.06482	2.6
133.10170	3.2
135.07959	0.7
137.09633	1.6
142.07788	2.8
145.10098	1.6
147.08029	1.9
147.11656	7.9
149.09621	4.1
157.10097	8.1
165.12769	2.2
175.11150	8.4
188.53940	0.7
193.12210	17.8
211.13300	2.3
249.14821	1.0
267.15881	41.1
269.31537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1588
Annotation	Connatusin B
Peak:m/z	Relative Intensity
53.03923	8.4
55.01860	14.9
55.05509	41.7
57.03416	15.6
57.07072	21.3
59.04987	5.7
61.02906	9.7
67.05177	5.6
67.05504	82.3
69.03411	31.6
69.07059	42.6
69.79791	3.2
71.04993	24.9
71.52351	3.1
73.02915	26.5
79.05492	49.0
81.03410	42.2
81.06590	5.5
81.07053	100.0
83.04977	24.1
83.08613	30.6
85.02896	23.7
85.06524	12.9
87.04446	3.4
91.05470	50.5
93.07039	83.7
95.04958	39.0
95.08050	6.4
95.08594	66.0
97.02864	25.5
97.06505	15.8
97.10122	7.0
99.04449	6.8
103.03946	7.0
103.05457	4.6
105.03403	3.6
105.07021	75.2
107.04961	31.4
107.08578	61.5
109.02840	18.1
109.06516	23.4
109.10145	86.3
111.04438	25.1
111.08064	10.2
113.05989	10.1
115.03909	7.5
115.05462	7.2
117.07008	17.8
119.04908	6.1
119.08578	49.9
121.02838	3.6
121.06511	20.9
121.10127	57.4
123.04401	11.7
123.08065	23.1
123.11694	27.9
125.05966	12.1
127.03899	8.0
128.06195	6.6
129.05478	6.1
129.07013	7.9
130.07777	4.4
131.08583	20.8
132.95735	3.7
133.06523	18.9
133.07368	3.5
133.10110	53.2
133.41490	3.7
135.04390	4.3
135.08037	14.0
135.11685	44.4
137.05978	8.2
137.09615	21.0
139.07550	6.7
139.11218	3.8
141.05453	4.8
141.06979	5.4
142.07747	5.7
143.08582	18.2
145.06464	6.2
145.10115	18.8
147.08044	10.7
147.11671	31.7
149.09601	12.1
149.13237	29.9
151.03902	4.1
151.07567	12.9
151.11180	10.4
157.10101	16.1
159.08003	5.4
159.11693	14.4
161.09557	18.4
161.13232	10.5
163.07521	7.2
163.11151	11.3
165.06898	4.2
165.12724	7.9
167.14400	9.1
171.11694	11.5
173.08197	4.0
173.13280	4.8
175.11182	15.9
175.14749	4.6
177.05437	7.3
177.12721	28.4
179.10666	12.1
181.08615	7.1
185.13304	4.9
187.11081	4.3
189.12692	17.0
189.16354	8.8
193.08589	5.6
201.12643	5.4
203.14279	7.2
203.17957	4.0
207.06412	5.0
207.13747	11.5
207.15532	3.5
208.40184	3.7
209.06046	4.6
213.12814	8.4
219.13797	14.8
221.15439	3.9
231.13843	23.7
231.17435	5.4
239.06995	4.9
249.14848	21.3
249.18430	14.6
267.06436	6.3
267.10236	16.3
267.15894	69.6
267.19217	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	267.1588
Annotation	Alliacolide
Peak:m/z	Relative Intensity
52.13448	0.7
53.03928	2.8
54.41552	0.8
55.01857	2.4
55.05502	7.2
57.03433	19.8
66.50802	1.0
67.05502	11.4
69.03417	2.3
69.07066	4.0
71.04987	2.0
79.05487	12.2
81.03410	100.0
81.07051	14.7
81.53735	0.9
83.04980	4.4
83.08611	13.9
85.06532	1.5
86.31535	0.8
87.38192	0.8
91.05470	17.7
93.07042	7.0
95.04958	21.0
95.08603	5.6
97.02891	2.2
97.06526	1.3
97.10155	1.2
105.07014	13.1
107.04941	4.4
107.08575	2.5
109.06516	3.4
109.10207	1.1
111.08070	6.7
115.05492	1.2
116.06250	1.0
117.07022	1.4
119.08572	12.6
121.06495	1.5
121.10129	3.3
123.08022	1.6
123.11673	0.9
129.06993	9.5
131.08539	8.5
133.06503	2.4
133.10161	4.0
142.07747	1.9
145.10208	0.9
147.08058	2.9
147.11674	5.2
148.10291	0.8
149.09572	5.4
157.10117	8.5
165.12740	2.4
174.70276	0.8
175.11150	8.4
189.25046	0.9
193.12222	18.1
211.13326	2.4
245.13432	0.8
249.14961	1.0
267.15906	42.9
268.16281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1588
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
50.16822	0.9
53.03926	3.8
55.01853	1.5
55.05508	7.9
57.03432	20.1
65.03930	1.1
67.05501	11.5
69.03416	1.7
69.07051	2.4
71.04971	1.7
71.52906	1.5
79.05489	14.9
81.03410	100.0
81.06668	1.0
81.07052	13.6
83.04973	6.9
83.08154	1.1
83.08615	16.2
85.63530	1.0
90.39921	1.0
91.04968	1.5
91.05475	18.1
93.07044	10.2
95.04957	19.3
95.08595	7.1
97.02871	1.8
97.06504	1.2
97.10182	1.2
105.07018	12.2
107.04922	3.9
107.08553	4.0
109.06486	1.9
109.10133	2.2
111.04406	1.3
111.08086	5.9
117.07018	1.5
119.04889	1.5
119.08564	11.1
121.06454	1.5
121.10106	5.1
123.08070	2.1
125.09612	1.3
127.03658	1.0
129.06995	8.2
131.08528	8.4
133.06480	2.6
133.10068	3.8
137.09601	1.6
142.07744	2.3
147.08046	1.9
147.11691	8.4
149.09612	3.2
157.10095	9.6
165.12717	2.2
175.11172	9.5
193.08482	1.0
193.12215	19.2
193.64464	0.8
211.13303	2.2
249.14868	1.6
267.15875	41.3
268.29242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01873	3.2
55.05506	34.0
57.03423	6.7
57.07072	41.8
59.04992	4.1
65.93561	1.8
67.05502	45.3
69.03428	3.2
69.07066	65.3
70.94032	1.8
71.04996	9.6
71.08627	33.3
71.52336	2.5
73.16664	1.7
79.05490	13.8
81.03420	19.3
81.07050	96.8
83.04957	2.2
83.08616	56.4
85.06522	6.8
85.10166	12.5
91.05467	10.0
93.07027	9.0
95.04951	8.2
95.08600	100.0
97.06531	2.8
97.10166	34.4
99.08094	5.7
99.11693	2.3
105.07042	13.3
107.04935	2.1
107.08566	7.6
109.06513	4.2
109.10149	77.6
109.63773	1.8
111.08067	3.3
111.11718	21.0
119.08572	7.3
120.32345	1.7
121.06518	2.9
121.10123	4.6
123.08102	2.6
123.11696	43.4
123.86547	1.9
128.06168	2.6
129.07024	2.6
131.08598	3.6
133.06485	3.0
133.10121	4.6
136.06126	3.1
137.05992	2.3
137.13251	17.8
139.07550	2.3
142.07806	1.9
143.08557	2.7
145.10185	3.2
147.11690	3.2
149.13223	2.1
151.07532	2.5
151.14766	4.0
155.08537	2.6
157.10132	5.8
159.11661	3.3
165.06895	1.8
165.12810	1.8
165.16356	3.0
169.10197	4.3
171.11681	2.7
173.13307	2.1
175.11194	3.5
177.05516	2.2
179.17978	2.4
183.11659	2.4
189.16376	2.4
193.12196	5.0
193.19473	5.0
197.13316	2.8
207.08165	2.7
210.08997	2.2
211.07549	2.5
211.14769	2.8
235.07344	3.1
249.18593	2.5
249.25841	7.2
267.10138	6.7
267.16034	6.9
267.21027	11.0
267.26801	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2681
Annotation	(9Z,12Z)-Octadeca-9,12-dien-1-ol
Peak:m/z	Relative Intensity
53.03932	5.8
55.01856	2.4
55.05507	35.7
57.03435	16.9
57.07071	42.6
59.05005	3.0
67.05500	50.2
69.03397	2.1
69.07065	56.0
69.89751	3.7
69.90160	7.7
71.04997	11.2
71.08627	33.5
79.05482	19.7
79.56821	1.6
81.03413	95.3
81.07049	92.0
83.04972	8.0
83.08617	53.7
85.06527	5.9
85.10176	12.6
91.05478	18.5
93.07025	9.7
93.71832	1.7
95.04957	22.1
95.08600	100.0
97.10161	37.9
99.08060	2.3
105.07030	19.0
107.04937	6.4
107.08566	4.1
109.06511	6.1
109.10151	63.8
111.04338	1.9
111.08054	6.6
111.11712	17.3
117.07066	2.2
119.04961	1.7
119.08568	11.8
120.45010	1.8
121.06486	3.3
121.10143	8.2
123.08063	2.0
123.10820	3.1
123.11700	44.8
125.13271	3.8
127.04032	1.8
127.11176	2.2
129.06976	8.6
131.08569	11.7
133.06424	3.5
133.10115	6.2
137.09567	3.8
137.13222	11.3
137.19246	2.0
147.04362	2.1
147.07993	3.1
147.11699	12.6
149.09610	3.9
151.14801	7.4
157.10110	10.9
165.16367	5.2
175.11192	11.7
179.17970	3.5
193.12236	18.0
193.19531	5.9
211.14839	2.3
249.14815	2.9
249.25784	9.5
267.10205	4.0
267.13693	1.7
267.15881	41.6
267.20956	5.9
267.26801	22.0
279.03937	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.268
Annotation	(9Z,12Z)-Octadeca-9,12-dien-1-ol
Peak:m/z	Relative Intensity
53.03931	2.9
55.05505	34.9
57.03419	5.5
57.06793	3.1
57.07068	49.5
59.04998	2.4
59.59465	1.2
61.17909	1.2
67.05498	48.1
69.07060	58.1
69.19388	15.9
71.04990	8.8
71.08624	34.1
72.60249	1.1
74.04280	1.5
79.05497	6.9
80.65504	1.5
81.03407	20.6
81.07047	91.7
83.08611	55.3
85.06522	5.1
85.10177	13.0
88.24043	1.3
91.05456	5.8
93.07034	4.1
95.04939	6.0
95.08599	100.0
97.10161	37.1
99.08070	2.4
105.07009	4.3
107.04884	1.9
107.08573	2.0
109.10148	77.1
111.11705	21.0
119.08553	3.9
121.10121	2.2
123.11694	46.0
125.13245	4.6
129.06993	2.3
131.08524	2.8
133.10088	1.8
137.13246	19.3
139.14838	1.8
147.11653	3.0
149.09419	1.4
151.14864	6.6
157.10135	2.7
165.16457	4.4
175.11145	2.5
179.17876	4.5
193.12215	4.0
193.19496	4.0
217.45763	1.5
249.25789	8.2
267.15958	7.9
267.21033	1.7
267.26801	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	267.268
Annotation	(9Z,12Z)-Octadeca-9,12-dien-1-ol
Peak:m/z	Relative Intensity
53.03932	3.2
55.05503	34.1
57.03417	4.4
57.07073	29.3
58.02593	1.1
58.72895	1.1
59.04985	2.0
61.20436	1.1
65.03941	1.4
67.05495	38.2
69.07063	54.2
70.08362	4.3
71.04988	9.6
71.08620	16.0
73.06554	1.6
79.05482	7.2
81.03410	10.2
81.07047	85.2
81.63063	1.3
83.04961	1.4
83.08613	49.0
85.06538	2.1
85.10184	7.1
91.05453	3.8
93.07024	3.9
95.04945	2.7
95.08596	100.0
97.10154	35.4
97.10780	1.7
105.07036	2.3
109.10143	71.7
111.11705	17.0
113.09638	2.0
121.10118	1.7
123.11688	41.1
123.12582	2.3
125.13251	4.3
133.10033	1.5
136.06186	1.2
137.13243	13.7
151.14854	6.0
157.10095	2.0
165.16370	3.8
179.17952	3.4
193.12338	1.9
193.19536	2.7
225.12770	1.2
249.25659	8.9
267.15857	7.7
267.26733	8.0
277.10526	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1038
Annotation	Adenosine
Peak:m/z	Relative Intensity
50.01200	0.2
54.01080	0.2
54.41360	0.2
55.01873	0.3
56.65553	0.2
57.03411	0.4
61.85863	0.2
69.03419	0.2
70.77345	0.4
70.77711	0.4
71.01305	0.2
72.83191	0.2
73.02896	0.2
85.02886	0.4
94.04029	0.4
94.78477	0.2
112.21645	0.2
119.03518	0.9
136.06160	100.0
137.04570	0.5
137.06483	0.6
247.12177	0.2
268.10397	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	268.1039
Annotation	Adenosine
Peak:m/z	Relative Intensity
51.74856	0.2
52.23409	0.2
55.01856	0.4
56.27737	0.2
56.96553	0.5
57.03428	0.6
61.02919	0.5
63.29714	0.2
69.03416	0.9
73.02905	0.6
81.03396	0.3
85.02881	1.2
94.04047	0.4
97.02853	1.2
98.97588	0.6
101.00817	0.2
101.94295	0.2
110.01237	0.3
112.35363	0.2
116.98596	0.6
119.01885	0.5
119.03523	0.9
121.55061	0.2
124.03946	0.4
127.03929	0.3
130.74327	0.2
131.01912	0.3
133.80836	0.2
136.06166	100.0
137.04579	0.4
137.05788	0.2
139.03897	0.3
140.39499	0.3
143.01875	0.3
145.03426	0.3
167.07062	0.3
167.79607	0.3
173.03029	0.2
185.02942	0.4
186.04666	0.4
186.54935	0.4
191.03935	0.2
263.02814	0.6
268.07690	0.5
268.10342	5.3
268.16400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03910	2.1
55.01870	3.7
55.05508	19.6
55.76838	2.1
57.03429	36.8
57.07059	6.2
67.05499	73.7
69.07057	29.3
69.36803	11.7
69.37224	5.5
70.62359	1.9
70.97096	1.7
71.04988	5.0
72.50000	1.9
79.05483	41.5
81.03397	2.6
81.07047	100.0
83.04974	12.3
83.08613	18.7
85.06536	5.4
91.05475	22.3
93.07034	74.2
95.04947	4.3
95.08598	22.5
97.06515	16.9
97.10195	3.3
97.59874	2.1
99.08076	3.1
105.07005	7.5
105.68754	2.1
107.08577	37.1
109.06520	4.2
109.10162	5.7
111.08071	8.8
117.06120	1.8
117.07011	9.7
119.08587	2.3
121.10129	25.5
131.08574	9.2
133.10107	8.0
135.08031	2.0
135.11697	10.7
139.07483	2.6
139.11171	1.9
149.09694	2.6
149.13234	47.6
159.11668	18.5
177.12733	7.2
195.13857	11.3
233.75771	2.2
269.08063	2.5
269.17535	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	269.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	20.9
55.58549	6.1
57.03424	37.3
57.07049	13.2
67.05495	76.9
69.07066	32.1
69.25580	31.5
69.26007	21.9
77.30576	4.3
79.05484	47.3
81.07048	100.0
83.04971	11.4
83.08604	14.2
85.06535	7.5
91.05476	28.3
93.07028	75.6
95.08585	29.5
97.06499	15.7
98.20690	10.6
99.53915	4.5
105.07015	9.4
107.08586	34.7
109.10162	6.3
111.08054	13.0
117.06998	7.7
119.08527	5.0
121.10091	11.6
123.11720	6.0
131.08536	14.3
133.10071	11.3
135.08022	5.8
135.11708	12.1
139.00238	13.5
149.13264	49.3
157.01245	9.0
159.11676	12.7
177.12755	13.6
195.13759	12.1
197.19620	5.3
214.72185	4.8
231.44937	5.0
269.08002	12.7
269.17383	33.2
273.84875	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	269.1746
Annotation	6alpha,7beta-Dihydroxydiihydrodrimenin
Peak:m/z	Relative Intensity
53.03938	2.4
54.56660	0.8
55.01865	1.9
55.05508	61.1
55.18729	1.1
55.67532	1.0
57.03429	1.1
57.07072	5.1
59.04994	13.9
67.05499	10.6
69.03426	2.5
69.07051	4.5
69.70588	3.0
69.71018	3.3
71.04980	4.2
79.05479	7.3
81.07052	36.9
83.04978	25.8
83.08623	5.6
85.06532	2.7
91.05453	4.8
93.07033	8.9
95.04957	1.3
95.08598	13.8
97.06538	1.7
97.10130	1.6
99.04481	2.1
99.08092	8.8
101.06009	96.0
102.06370	1.6
105.07018	8.4
107.08588	34.5
109.06512	3.5
109.10149	4.0
111.08083	3.2
111.74374	0.9
119.08566	6.4
121.06504	1.4
121.10134	9.6
123.08085	1.3
123.11697	100.0
125.09588	3.3
127.07540	14.6
129.05472	32.5
129.06943	1.3
131.08534	5.2
133.10129	11.5
135.08034	2.3
135.11699	2.9
139.07529	1.9
141.12738	4.5
142.07808	1.2
143.08548	2.2
145.09087	0.9
145.10100	6.1
147.06482	2.5
147.11684	5.1
149.09596	2.2
149.13266	4.7
152.06239	1.4
153.09116	2.8
157.10115	3.1
159.11710	4.0
160.08662	1.0
161.13222	1.7
163.11145	2.6
163.14854	1.5
165.09155	1.0
171.11694	2.7
173.13298	9.2
175.11165	3.7
181.12202	2.3
185.13249	1.9
187.14786	1.7
191.10687	1.4
191.14284	21.2
193.12305	3.2
195.08147	1.4
197.13194	1.6
198.06816	1.5
199.14813	2.1
205.15833	1.4
209.13478	1.1
209.15384	4.4
213.16310	2.5
215.14299	3.3
226.06122	1.2
233.15363	11.2
241.08553	2.0
243.18459	1.1
251.16446	13.4
269.08063	5.6
269.11618	2.8
269.17566	4.7
269.22592	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	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03928	4.3
55.01849	2.3
55.05268	1.7
55.05506	23.0
57.03435	31.1
57.07073	5.4
59.04979	1.4
62.27763	0.9
65.03943	2.4
67.05499	71.4
68.59249	0.9
69.03416	1.8
69.07062	33.0
70.90536	1.2
70.90881	2.4
71.01344	1.1
71.04987	6.4
71.05305	1.2
73.02911	1.8
79.05486	47.1
81.03416	3.0
81.07049	100.0
83.04967	11.6
83.08617	15.3
85.06533	7.3
91.05476	19.8
93.07037	70.7
95.04961	7.0
95.08595	30.5
97.06528	15.4
97.10175	3.4
99.08087	5.1
101.06010	3.3
102.12456	0.9
105.07018	8.7
107.04936	3.6
107.08582	37.6
109.06496	3.6
109.10147	6.5
111.08062	6.9
111.86581	1.0
113.05999	1.5
113.09653	2.0
117.07010	9.8
119.08584	4.6
121.06476	2.9
121.10129	26.4
123.11697	6.4
125.05988	1.3
125.09635	2.5
127.03873	1.2
127.07520	2.2
129.06999	2.0
131.08578	10.2
133.10107	9.4
135.08060	2.8
135.11670	9.3
139.11125	2.7
143.08577	1.5
145.10153	3.1
147.11688	3.7
149.09605	1.1
149.13242	46.7
152.06242	1.2
157.10187	2.2
159.11684	20.0
171.11667	1.9
173.13206	1.1
177.12729	8.7
181.06416	1.7
195.13774	8.7
199.14844	1.2
213.14624	1.0
213.16447	1.4
215.17986	1.3
226.06271	1.5
237.09126	1.0
251.20189	1.8
269.07990	6.9
269.11884	2.4
269.14890	1.7
269.17474	28.3
269.22403	7.9
270.08719	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03934	3.9
55.01867	5.2
55.05506	24.4
57.03434	31.0
57.07072	8.0
59.04988	2.0
61.02906	3.6
63.57658	1.5
67.05500	68.7
69.03425	8.4
69.07061	37.0
71.01367	1.5
71.04997	9.8
71.08631	2.2
71.53104	1.9
73.02903	1.4
73.06538	1.8
79.05489	43.0
81.03408	3.0
81.07050	100.0
83.04981	13.2
83.08615	17.4
85.02908	2.6
85.06540	7.4
87.04451	3.2
91.05476	25.1
93.07035	66.6
95.04945	8.2
95.08603	37.2
96.97636	1.2
97.02876	4.1
97.06526	17.1
97.10160	4.7
99.08105	5.2
105.07024	17.7
107.04982	5.0
107.08590	44.1
109.02891	1.6
109.05862	1.3
109.06514	8.4
109.10134	12.0
111.04446	2.3
111.08055	9.8
111.11784	1.9
112.50131	1.5
115.03879	2.2
115.05433	1.6
117.06984	9.4
119.08582	11.5
121.06477	3.7
121.10136	29.8
123.04389	3.1
123.07970	3.2
123.11710	7.5
125.05978	3.0
129.06970	1.9
131.08549	14.6
133.05005	1.4
133.10112	12.8
135.08063	5.0
135.11676	14.6
137.09622	2.0
137.13249	2.2
139.07565	1.5
139.11201	1.6
142.07799	1.8
143.08598	2.9
145.06499	1.7
145.10086	7.3
146.52399	1.4
147.11694	5.6
149.09599	3.6
149.13243	44.2
151.11258	2.5
151.14775	1.7
153.09155	1.9
157.10094	3.2
159.11684	22.3
159.12869	2.2
160.12015	1.6
161.13219	5.4
163.11183	2.0
163.14799	1.7
165.12738	2.3
171.11652	2.1
173.13274	4.2
175.14917	1.9
177.12714	9.9
179.14323	3.5
181.06560	2.4
185.13364	2.1
187.14859	2.8
191.17982	2.4
195.12230	1.8
195.13785	10.0
198.06717	1.9
199.14864	2.1
203.14348	1.8
205.15913	2.2
209.06015	1.9
213.09123	2.5
215.14366	2.1
221.15378	3.6
223.11287	1.7
226.06255	4.9
227.18001	1.6
233.15407	3.7
233.19026	1.9
237.05580	1.8
237.09222	1.6
241.08546	4.1
251.16473	5.8
251.20111	2.5
254.05809	2.0
269.08109	17.3
269.11584	5.2
269.14572	2.6
269.15317	1.9
269.17447	39.6
269.22385	13.0
270.08490	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	269.2109
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
52.61259	1.6
53.03942	3.1
55.01855	1.6
55.05505	20.5
57.06791	3.6
57.07068	71.2
59.42786	1.6
63.81911	1.5
67.05494	44.0
69.07059	40.1
69.39902	15.9
71.08622	100.0
76.12763	1.6
79.05482	66.9
81.03383	2.8
81.07043	83.9
83.04945	2.7
83.08604	9.6
85.06516	3.3
85.10168	50.5
91.05458	10.8
93.06483	2.7
93.07037	33.5
95.04974	5.2
95.08596	76.9
97.06518	21.9
97.10153	3.6
98.20775	4.1
105.07014	5.2
107.04954	2.6
107.08578	22.0
109.06471	2.6
109.10161	12.9
111.11710	3.0
117.06986	2.3
119.08565	4.4
119.72602	1.7
121.09328	2.4
121.10132	26.4
123.11700	10.2
125.05991	5.1
130.34358	1.6
131.08545	6.8
133.10117	3.2
135.08029	4.9
135.11655	17.2
137.13225	12.9
145.10104	4.8
147.11655	2.4
149.09616	2.5
149.13214	6.1
155.14279	74.8
157.10193	2.3
159.11649	4.4
163.11162	2.5
173.13205	2.3
205.19504	21.9
215.17981	7.9
223.20547	46.4
233.18976	7.3
241.11905	2.0
251.20036	95.1
269.08096	4.0
269.11942	1.8
269.15186	3.5
269.20929	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.0
55.01845	3.0
55.05503	21.7
57.03436	13.5
57.07073	7.9
63.70117	1.4
64.55032	1.6
65.03926	2.7
67.05496	70.3
69.07061	30.6
69.39724	15.3
71.04980	6.2
71.08620	5.9
76.50338	1.6
79.05482	35.4
81.03409	2.7
81.07046	100.0
83.04964	7.1
83.08620	14.4
83.72278	1.5
85.02895	3.0
85.06528	5.6
85.10159	2.9
91.05466	18.8
93.07034	59.0
95.04958	4.0
95.08598	65.1
97.06513	13.8
97.10170	5.2
99.08076	3.9
99.41517	1.6
105.07020	12.5
107.04909	2.5
107.08579	36.9
109.06503	3.0
109.10123	18.9
111.08070	4.5
111.11695	3.1
113.05976	2.1
117.07002	6.9
119.08558	10.6
121.06480	8.4
121.10135	26.1
123.08074	4.1
123.11697	13.5
125.05992	2.0
131.08530	15.1
133.10139	11.9
135.08054	9.2
135.11684	14.6
137.09599	4.2
137.12300	1.5
137.13243	7.8
139.07500	3.2
139.47641	1.4
141.09045	2.7
143.07025	2.0
145.10170	10.6
147.11690	5.3
148.65504	1.5
149.09593	5.4
149.13254	19.2
151.11139	3.0
153.09126	3.6
155.14268	4.9
159.11682	15.5
161.13229	2.8
163.11189	4.0
167.10678	2.2
171.11632	2.9
173.13243	6.2
175.14850	2.3
177.12743	6.3
181.12123	2.1
185.13077	1.8
187.14774	2.1
187.22322	1.6
189.16360	2.8
191.14198	2.3
191.17961	11.2
194.36658	1.9
195.13850	4.7
199.14798	2.6
205.19563	2.9
213.16342	2.7
215.17935	16.6
223.20578	3.9
233.19019	7.4
251.20047	13.8
269.04913	1.8
269.08115	6.4
269.17413	13.0
269.22583	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	269.2109
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
50.96901	1.6
53.03936	5.5
55.01863	3.3
55.05507	24.0
57.03438	13.9
57.07072	76.1
59.58946	1.6
65.03929	2.7
67.05502	68.5
69.07066	35.5
71.05000	5.0
71.08231	4.0
71.08628	84.5
71.52538	4.3
79.05488	59.1
81.03408	4.8
81.07051	100.0
81.80156	2.0
83.04984	9.0
83.08614	18.1
85.06537	6.0
85.10191	14.2
91.05476	20.0
93.07037	68.9
95.04951	26.9
95.08601	49.3
97.06528	18.4
97.10166	4.8
99.08115	2.1
105.07015	17.0
107.04951	3.2
107.08588	41.7
109.06501	4.8
109.10167	14.2
111.08085	6.0
113.09650	2.7
117.07000	8.7
119.08575	9.5
121.06520	8.7
121.10139	32.3
123.08053	4.6
123.11703	17.4
125.05971	4.1
129.06938	1.8
131.08571	16.4
133.10100	12.6
135.08049	23.2
135.11691	17.0
137.13268	6.4
139.07541	2.8
141.11700	3.4
141.12732	47.9
143.08606	3.9
145.10132	8.7
147.11697	4.5
149.09589	6.5
149.13249	25.3
153.09094	5.2
155.14310	22.1
157.10089	2.0
159.11714	17.0
161.13368	3.4
163.11182	1.9
171.11703	3.3
173.13327	5.1
175.11349	1.8
177.12782	5.0
185.13283	2.1
187.14786	2.3
189.16391	3.9
191.17931	3.8
195.13788	6.8
197.06042	2.2
198.06697	4.7
199.14856	3.2
204.44011	1.7
205.19475	11.0
213.16452	3.3
215.17937	15.8
223.20557	18.3
226.06329	1.7
227.17882	2.6
233.19000	19.1
241.08649	2.1
251.20049	80.6
269.07959	12.9
269.11719	7.9
269.14951	2.5
269.17435	12.3
269.22614	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	269.2108
Annotation	(+)-Juvabiol
Peak:m/z	Relative Intensity
51.48715	2.2
52.08128	2.2
55.01854	4.3
55.05502	21.1
55.84634	2.1
57.07067	12.0
57.20653	2.4
67.05499	85.4
68.95473	2.0
69.06728	3.2
69.07062	37.7
69.75269	12.1
71.04987	4.6
71.08624	14.1
79.05482	47.1
81.03377	2.5
81.07050	100.0
83.04971	5.2
83.08604	11.3
85.06531	4.9
85.10165	7.8
91.05476	21.1
93.07037	68.1
93.07632	3.6
95.04950	5.2
95.08598	93.7
96.08916	2.7
97.06541	12.0
97.10148	5.7
104.27408	2.3
105.04546	2.2
105.07014	16.9
107.04964	4.0
107.08585	43.9
109.06493	3.6
109.10138	37.3
111.08062	2.5
111.40163	2.0
114.04550	2.2
115.88069	1.9
117.07010	8.7
119.08598	12.1
121.06463	9.8
121.10130	30.7
123.08033	6.4
123.11723	15.2
125.05961	8.9
131.08560	19.9
133.10135	13.6
135.08034	15.0
135.11667	21.3
137.09590	4.9
137.13219	12.1
139.07500	6.1
139.83501	2.0
143.06984	3.9
145.10109	10.6
147.11604	6.1
149.09602	11.0
149.13249	9.7
151.11182	3.5
151.14795	2.3
153.09093	9.3
155.14278	7.0
159.11658	12.3
163.11179	6.7
167.10657	6.3
173.13239	9.4
177.12747	5.3
181.12254	2.8
187.14775	2.7
189.16380	5.9
191.17862	19.2
205.19518	5.8
215.17973	28.0
223.20578	8.3
233.19040	16.2
241.08704	2.7
250.53882	2.4
251.20059	28.3
269.08054	9.3
269.21002	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	269.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77932	1.7
53.03930	2.8
55.01867	6.0
55.05504	25.4
57.03420	3.3
57.07063	8.2
64.94877	2.0
65.03933	2.4
67.05496	81.6
69.03428	4.2
69.07059	28.5
71.04990	5.5
71.08640	6.8
71.52323	2.3
79.05482	44.9
81.03400	2.9
81.07047	100.0
83.04977	9.1
83.08614	12.1
85.02907	4.0
85.06538	6.6
85.10155	3.4
91.05453	16.8
93.07034	57.9
95.04955	5.4
95.08595	89.9
97.02892	2.4
97.06532	9.1
97.10149	10.3
99.08087	2.5
100.11257	5.4
105.07012	16.4
107.04919	10.3
107.08586	38.0
109.06525	4.6
109.09461	3.4
109.10147	36.9
111.08045	2.7
111.11718	2.8
112.72437	1.8
113.06048	1.9
117.07001	8.0
119.08572	14.8
121.06475	8.2
121.10124	28.6
123.08060	6.6
123.11698	15.8
125.05984	5.5
125.09618	2.3
131.08563	17.3
133.10135	17.3
133.55643	1.9
135.08043	10.7
135.11679	22.0
137.09616	7.4
137.13251	8.9
139.07539	4.6
143.07115	2.4
143.08536	2.9
145.10104	11.4
147.11662	7.3
149.09624	10.6
149.13260	10.0
151.11198	3.3
151.14819	4.9
153.09152	5.5
155.14365	4.7
157.10107	3.4
159.11679	12.9
161.13237	2.7
163.11195	6.0
167.10654	5.4
169.15938	2.6
171.11710	3.5
173.13239	6.5
177.12801	4.6
181.06570	2.0
181.08498	2.0
181.12247	3.7
185.16508	4.4
187.14851	3.2
189.16486	3.6
191.17953	12.5
195.13791	3.9
205.19521	2.5
209.06042	2.2
213.16432	3.5
215.17950	20.1
223.20638	3.9
226.06242	2.2
233.15227	2.3
233.19006	12.0
241.08443	3.4
251.16614	2.5
251.20021	19.2
269.08060	17.0
269.11182	3.2
269.17804	3.4
269.22559	10.7
270.08759	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	269.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
53.84262	1.7
55.01865	4.0
55.05507	20.0
57.03428	6.9
57.07069	28.8
65.03915	1.7
65.68592	1.6
67.05498	52.0
69.03403	1.7
69.07063	26.2
69.65067	1.7
71.04976	2.4
71.08626	37.2
71.52650	2.8
74.72630	1.7
79.05485	38.1
81.03410	3.6
81.07050	68.4
81.07529	3.5
83.04974	4.8
83.08624	13.0
85.02909	4.1
85.06525	2.5
85.10182	19.9
91.05467	16.2
93.07036	44.1
93.07632	2.6
95.04967	6.6
95.08600	100.0
97.06533	10.2
97.10168	4.2
105.07011	11.4
107.04928	2.7
107.08578	26.5
109.06501	3.2
109.10147	17.5
111.08097	2.7
117.07022	5.7
119.08578	9.4
121.06515	3.9
121.10133	23.3
123.08114	2.7
123.11709	6.1
125.06004	3.8
131.08542	8.1
133.10110	8.1
135.08037	4.4
135.11679	13.2
137.13229	6.8
143.08519	2.8
145.10135	6.6
147.11665	5.0
149.09593	3.8
149.13269	9.9
150.01497	1.7
151.14818	10.3
153.07069	2.0
153.09103	3.2
155.14291	23.9
157.10149	5.4
159.08168	1.6
159.11708	7.6
163.11160	1.8
169.15877	8.2
173.13249	3.5
177.12729	3.5
183.11624	2.1
185.13322	2.3
187.14845	2.1
189.16290	2.1
191.17923	7.7
195.13771	3.1
197.05998	2.4
198.06830	3.2
199.14828	1.9
205.19392	8.9
207.17282	2.3
209.06052	5.2
211.07526	3.6
212.08261	1.9
213.16422	3.3
215.17952	7.6
223.20508	16.8
226.06197	4.0
227.10669	3.5
233.19014	7.6
251.17650	3.5
251.20058	39.7
254.05705	2.8
269.08087	19.2
269.11725	8.1
269.15305	7.3
269.18933	3.8
269.22833	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	270.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01860	2.6
55.05497	0.8
56.96556	5.9
57.03434	4.8
58.99856	2.6
59.04989	1.1
61.02910	4.7
66.92995	0.9
67.05486	2.1
68.99789	2.4
69.03422	9.9
70.06575	5.1
71.04990	1.8
71.52117	1.3
73.02910	6.8
77.00894	3.1
81.03399	4.0
82.99821	1.3
84.08138	1.0
85.02892	20.0
85.06544	1.4
87.04459	1.4
88.77473	1.0
89.00864	1.0
91.03958	1.7
91.05447	0.9
91.42221	1.0
95.04995	1.5
97.01398	1.0
97.02888	12.7
98.06015	1.2
98.97569	7.3
99.04446	1.8
100.02471	3.3
101.00211	1.1
101.00872	18.8
103.02471	1.9
104.63532	0.8
105.07004	0.9
109.02882	4.1
110.07114	1.5
112.07635	4.9
113.00836	2.1
115.02419	17.2
115.03865	1.0
116.01357	0.9
116.98617	4.3
117.03954	2.6
118.03491	2.6
119.01907	100.0
120.01962	2.1
126.03668	2.0
126.98788	1.5
127.03908	5.9
127.51403	1.2
128.98598	1.1
129.03958	6.3
129.06931	1.3
131.00154	1.0
131.01891	10.6
132.04953	1.1
133.03465	24.4
134.99660	2.6
135.05031	3.1
136.06183	3.2
137.02107	1.1
137.02946	29.4
137.05865	1.3
138.03996	1.3
138.05493	17.0
138.07745	1.5
140.07018	2.4
142.03502	5.9
143.01854	6.4
143.02814	1.1
144.99776	7.8
145.03488	7.3
145.04942	2.7
146.03560	1.4
146.99631	1.3
147.01350	2.3
147.05167	4.8
149.02946	1.8
151.04536	3.0
154.03465	1.3
155.01869	2.2
155.08141	1.3
156.05046	2.9
157.03473	3.6
158.06610	10.1
158.99734	1.3
159.01366	3.8
159.05055	1.8
160.04602	1.7
161.01224	1.5
161.02939	10.6
163.00856	1.4
163.04002	1.5
166.56519	1.0
167.06967	1.2
168.05052	1.3
168.99815	9.7
170.03145	0.9
170.06651	2.1
171.01363	2.2
171.05005	1.8
172.04486	1.3
173.02890	7.8
173.06059	1.4
174.56448	1.0
175.04491	3.1
176.07692	12.3
177.00793	2.3
177.02408	2.7
177.03960	1.4
182.03004	3.5
183.04910	1.9
184.04474	1.6
185.02907	2.0
186.99364	0.8
187.00879	23.1
187.02571	1.6
187.04483	1.2
187.23134	1.0
188.06035	2.3
188.07637	12.9
188.54948	2.7
189.02510	5.3
189.06656	1.4
191.00362	1.7
191.03963	3.8
193.00162	1.2
196.99318	4.7
197.03036	1.9
198.02843	1.6
199.00830	2.5
200.04144	1.4
201.00662	1.2
201.02400	4.1
201.05582	2.8
201.07759	1.4
203.04025	2.9
203.07112	1.4
205.01930	7.3
207.03445	2.0
210.02501	3.4
211.10835	2.1
212.07695	1.1
214.03870	2.2
214.98227	1.5
215.00342	30.4
215.03810	1.7
216.00684	1.0
217.01970	6.2
217.03711	1.2
219.01631	1.8
219.03500	4.1
221.05135	2.0
224.07675	3.5
224.12764	1.6
225.05260	1.4
229.01894	2.6
229.05159	2.5
232.04930	4.1
233.01399	3.9
233.05014	1.3
237.02716	1.4
238.01866	2.5
241.01945	1.2
242.08755	2.8
247.02913	8.8
247.04913	1.2
249.25026	1.0
250.05946	1.0
251.02432	2.5
256.02823	1.4
256.05069	1.3
257.05209	1.4
258.08224	1.0
265.04086	4.8
270.04938	2.1
270.08133	12.2
270.12982	4.6
270.15833	1.8
271.06067	9.2
288.09500	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	271.0598
Annotation	5,7,3'-Trihydroxyisoflavone
Peak:m/z	Relative Intensity
50.58403	0.6
53.03944	0.8
55.01860	2.4
61.81232	0.6
65.03925	2.3
68.99782	20.4
69.03409	0.8
71.03899	1.6
79.05466	1.6
81.03433	1.2
81.07037	1.3
81.95750	0.7
84.23511	0.7
85.06541	1.2
91.05473	9.2
93.06979	1.2
97.02854	1.4
105.07004	1.0
107.04950	6.3
107.99747	0.7
109.02872	1.1
111.00770	2.0
115.05441	2.3
117.07020	0.9
119.04912	4.3
119.08471	0.9
121.02856	13.1
128.06168	1.2
129.06985	2.6
131.04904	3.3
131.08594	1.6
135.04376	1.0
137.02287	1.4
138.66742	0.7
139.05437	0.9
141.06972	8.1
144.05693	1.5
145.02898	2.0
145.06462	2.9
147.04391	2.4
147.08017	3.2
149.02321	67.0
150.03198	1.6
151.11147	1.2
152.06189	2.3
153.01808	16.8
153.06981	4.5
155.04910	8.1
155.08562	1.7
157.06490	5.9
159.04405	3.7
159.08029	1.7
161.05925	0.8
163.03893	1.2
165.06993	6.0
167.03325	0.9
168.05634	1.3
169.06467	9.9
173.05963	11.9
181.06384	3.6
182.07265	1.0
183.04404	8.5
183.08034	2.6
185.05931	4.1
187.03864	4.0
187.07550	4.1
197.05966	19.2
198.06691	0.8
199.07481	0.9
200.04753	0.9
201.05446	12.4
203.07036	6.0
207.04459	0.8
211.07559	2.7
213.05524	1.1
215.06999	74.0
216.07355	1.0
221.05827	0.9
225.05406	6.7
227.07124	0.9
229.04950	15.4
239.06972	1.2
243.06503	58.6
244.06862	1.1
253.04890	7.7
271.05991	100.0
271.09421	6.5
272.06412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	Apigenin
Peak:m/z	Relative Intensity
51.13459	0.2
53.03939	0.4
55.01856	0.7
55.05489	0.7
57.03420	0.4
57.40535	0.2
65.03931	0.5
67.01858	1.6
67.05490	0.8
68.99445	0.3
68.99787	4.8
69.03420	0.7
69.07054	0.7
71.04969	0.6
71.52712	0.4
79.05477	0.7
81.03412	0.5
81.07056	1.5
83.04995	0.3
83.08599	0.5
85.02899	0.5
85.06538	0.5
91.05478	3.6
91.55997	0.2
93.07031	0.8
95.04958	0.7
95.08591	1.0
97.02885	0.3
98.97562	0.7
105.07010	1.1
107.04940	0.4
107.08582	0.9
109.02861	0.4
109.06487	0.8
109.10118	0.5
111.00773	0.4
115.05412	0.7
117.06990	0.5
117.84812	0.2
118.04172	0.3
119.04941	6.7
119.08540	0.9
121.02833	1.6
121.06452	0.4
121.10110	1.5
123.04445	0.2
123.08041	0.3
127.03903	0.4
128.06221	0.7
129.01825	0.3
129.06972	0.6
131.04909	0.4
131.08554	1.0
133.10089	0.7
135.11658	0.3
137.05978	0.5
137.09653	0.3
139.05469	0.3
141.06956	1.6
143.08542	0.4
144.05705	0.3
145.02789	1.4
145.06491	0.6
145.10022	0.2
147.08124	0.3
147.11702	0.5
149.02271	0.4
149.05898	0.5
149.09576	0.9
149.13255	0.4
151.03838	0.3
152.06210	0.9
153.01823	10.2
153.07004	3.0
154.07784	0.4
155.04893	1.6
155.08542	1.9
157.06458	1.7
159.04445	0.3
159.08043	0.4
161.05956	0.3
163.03906	0.8
165.05574	0.4
165.06989	7.1
167.08595	0.3
167.10681	0.3
168.05675	1.2
169.06432	1.5
171.02899	1.5
173.05974	3.0
177.00691	0.3
177.09097	0.8
181.06502	2.0
182.07231	0.6
183.04462	1.4
183.08066	3.9
184.04929	0.3
185.06026	1.5
187.03862	0.8
191.14192	0.3
193.06355	1.5
195.08086	0.3
195.10071	0.4
196.05206	0.9
197.05966	3.0
198.06737	0.3
200.08337	0.4
201.05449	2.7
202.06316	0.3
203.06964	1.2
207.04427	0.4
207.08124	0.3
209.06204	0.4
210.06760	0.5
211.07535	3.8
212.08267	0.6
213.05533	0.4
215.07022	1.0
221.06012	1.2
223.01755	0.3
225.05405	1.7
225.09061	0.5
227.07025	0.4
228.07841	0.6
229.04956	3.8
239.07025	1.0
242.09366	0.4
243.06357	1.8
243.10187	0.5
253.04903	1.4
253.08881	0.8
271.06003	100.0
271.09476	8.8
272.06287	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0598
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.05492	0.6
57.03407	0.3
63.46568	0.2
63.84064	0.2
65.03914	0.2
67.01862	1.6
67.05480	0.9
68.99783	1.5
69.07047	0.5
69.96744	0.4
69.97149	0.8
74.69140	0.2
79.05451	0.3
81.07051	1.1
83.08594	0.4
91.05479	2.3
93.07032	0.3
95.08612	1.2
97.10142	0.3
100.66548	0.2
100.83645	0.2
105.06976	0.3
109.10174	0.3
119.04923	5.1
119.08606	0.4
121.02842	1.3
129.01839	0.4
133.10130	0.2
135.11649	0.3
141.06978	0.5
145.02832	1.4
145.10133	0.4
153.01810	10.1
153.06927	0.5
155.08519	0.2
157.06497	0.3
159.11646	0.4
160.77695	0.2
161.13235	0.4
163.03915	0.9
165.06937	1.0
169.06500	0.6
171.02861	1.2
173.05931	0.3
181.06485	0.4
183.08023	0.8
187.03922	0.3
193.06371	0.3
197.05984	0.3
211.07535	0.5
215.17975	0.3
221.06053	0.3
225.05504	0.9
229.04878	0.7
229.08411	0.4
239.07011	0.3
243.06491	0.8
271.05981	100.0
271.24170	0.7
272.06323	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.096
Annotation	3,5-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
54.56321	1.2
55.01860	6.2
59.68568	1.0
65.03933	1.6
67.05505	1.9
68.99776	9.6
69.03422	1.5
69.43204	5.9
69.43613	1.9
70.18044	0.9
81.07035	2.6
85.06535	1.5
91.05462	16.2
95.04967	3.7
95.08572	1.5
98.20722	1.8
103.05448	1.0
105.07024	1.6
107.04955	4.1
109.02864	1.1
109.10191	1.1
111.00823	1.2
115.05449	4.2
117.07027	1.5
118.04156	2.1
119.04922	10.6
121.02827	1.3
121.06492	4.3
123.04409	1.6
124.05192	1.3
128.06175	2.1
129.06993	4.6
131.08501	1.1
133.02809	1.0
133.06500	1.6
134.03596	2.6
135.04407	2.6
137.05936	7.5
139.05443	1.0
141.06976	8.1
144.05650	1.1
145.06474	2.9
147.04338	2.2
149.05977	2.7
150.06787	1.3
152.06178	8.2
153.06963	32.2
154.07744	4.2
155.04922	3.9
155.08530	18.9
157.06453	8.1
161.05841	1.0
165.06984	79.9
166.07642	1.3
168.05664	13.7
169.06483	7.6
170.07280	3.3
173.05952	8.4
179.04898	1.9
180.05676	2.0
181.06451	20.0
182.07198	8.0
183.04451	4.7
183.08025	43.2
185.05945	7.9
187.03972	1.2
187.07564	1.6
193.06340	15.5
194.07289	2.0
195.07997	2.1
196.05197	8.5
197.04189	1.5
197.05937	10.9
197.09680	1.5
198.06790	1.7
199.07574	3.0
200.08243	5.8
200.70068	1.3
201.05403	6.9
203.07031	3.5
207.04320	5.9
209.05991	1.8
210.06773	4.7
211.07509	47.8
212.08200	7.9
213.05476	2.2
213.08963	1.3
215.07051	1.3
221.05927	16.4
225.05492	5.1
225.09062	3.4
227.07024	2.2
228.07817	5.8
229.04945	11.4
239.07025	10.1
241.08542	1.3
242.09332	5.9
243.06502	3.4
243.10188	5.9
253.04935	3.0
257.08081	2.1
270.09048	1.3
271.06052	35.1
271.09634	100.0
272.06232	1.3
272.10056	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	271.0962
Annotation	3,5-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
50.58664	1.0
55.01873	5.8
58.86195	1.1
65.03928	1.9
68.99781	8.2
69.96999	2.1
69.97396	3.1
79.05463	1.0
80.99982	1.0
81.07072	1.4
82.41047	1.0
83.61296	0.9
85.06531	1.2
89.03894	1.1
91.05473	13.2
93.77869	0.9
95.04980	3.5
105.07035	1.3
107.04911	5.5
111.04451	1.1
115.05428	4.4
115.68353	1.0
118.04141	1.5
119.04924	13.3
121.06505	3.7
123.04463	1.8
127.89075	1.1
129.06990	3.4
131.05011	1.1
134.03651	1.2
135.04366	2.3
137.05960	6.4
139.05333	1.1
141.06972	10.4
145.06462	2.2
147.04420	1.4
149.05978	3.3
152.06180	9.1
153.06966	35.5
154.07729	4.4
155.04918	3.5
155.08543	19.4
157.06467	5.2
165.06989	92.3
167.08490	1.2
168.05673	14.1
169.06468	9.9
170.07310	2.6
171.08029	1.3
173.05983	5.4
181.06456	22.2
182.07213	8.4
183.04427	4.4
183.08035	47.1
185.05984	6.5
193.06352	14.0
193.07967	2.2
194.07147	1.8
195.08067	1.3
196.05214	8.3
197.05969	9.5
198.06760	2.4
199.07605	3.8
200.08241	5.8
201.05443	4.8
203.07063	2.4
207.04410	5.1
209.04225	1.2
209.06027	2.6
210.06749	5.3
211.07512	51.6
212.08247	6.7
213.05560	1.9
213.09084	3.0
215.07007	2.0
221.05948	15.4
224.04597	1.0
225.05414	2.5
225.09026	5.1
227.06956	2.6
228.07823	4.6
229.04971	9.1
239.07028	9.2
240.07787	1.5
242.09348	7.6
243.06392	2.6
243.10172	6.8
253.08783	1.7
256.07248	1.6
271.06067	25.5
271.09641	100.0
272.06320	1.3
272.09985	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67734	0.5
53.03939	0.9
55.01871	4.2
57.03429	3.8
61.03725	0.6
65.03929	2.5
67.05483	1.9
68.23541	0.5
68.99434	1.0
68.99785	12.9
69.03438	0.6
71.04987	0.6
71.44810	0.9
73.02910	30.0
75.04475	2.7
79.05491	1.5
81.07031	1.1
83.04952	0.9
85.02900	1.2
85.06551	0.8
91.03954	1.4
91.05473	4.1
93.03408	2.3
93.06997	0.7
95.04958	2.4
95.08595	0.7
97.02908	0.5
101.61176	0.5
103.05478	1.6
105.07023	1.8
107.04955	1.9
108.02100	1.2
109.02882	1.3
109.06491	0.7
109.10157	0.6
110.03680	5.4
111.00788	1.5
111.04431	5.5
115.05456	1.1
119.04946	2.2
119.08557	0.9
121.02803	0.9
121.06468	0.7
122.03646	0.8
123.04433	1.7
125.05981	38.9
127.03886	1.3
128.06233	0.7
129.07008	1.4
130.21022	0.6
131.04915	1.6
131.08546	0.7
133.10127	1.1
135.08025	0.9
137.05949	2.3
141.05443	2.0
141.06984	3.6
145.06476	1.4
147.04393	2.4
147.06505	2.7
147.08112	0.6
148.76988	0.5
149.02339	0.7
149.05975	3.7
151.03893	100.0
151.04987	7.4
151.07484	6.2
152.04260	0.6
153.06950	0.6
155.04904	4.5
155.08466	0.8
157.06479	2.5
159.04407	1.7
161.05989	1.1
161.42023	0.5
163.03874	0.7
163.07556	2.8
165.06961	1.1
168.05772	0.5
169.06451	3.3
173.05986	11.0
175.07472	0.8
177.05437	0.6
179.07022	21.4
181.06490	0.9
183.04387	5.5
183.08038	1.1
185.05963	2.2
187.03828	3.5
187.07538	1.3
197.04388	0.7
197.06000	7.6
197.08076	20.4
199.09457	1.2
201.03738	0.9
201.05476	9.8
203.07002	4.1
211.07530	1.4
215.07004	2.4
225.05444	5.3
225.07576	3.4
226.06082	1.0
229.04958	11.5
229.08513	0.7
243.06529	7.3
253.05055	3.4
253.10686	4.1
271.05994	46.8
271.11755	19.6
272.06189	1.0
272.10461	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33942	1.3
53.03932	2.6
55.01846	1.4
56.96548	4.3
57.03400	1.6
57.07062	1.2
59.05006	1.2
65.03922	1.7
68.99764	7.0
69.03408	3.6
69.07073	1.9
70.06578	1.5
71.04996	1.6
71.16000	2.5
71.16359	1.9
75.04468	1.7
79.05478	3.9
81.03403	2.7
81.07030	2.2
83.04955	1.5
83.08641	1.1
85.02890	4.2
87.04429	1.3
91.05458	12.0
94.04150	2.5
95.04948	4.2
95.06003	1.2
95.08559	1.4
97.02876	3.6
98.97581	7.4
98.98113	1.4
103.67867	1.2
105.03369	4.5
105.06980	2.0
107.04947	3.7
109.02855	2.0
109.06511	7.0
111.04421	3.8
116.98617	4.5
119.04924	3.1
121.02902	1.5
121.06492	1.2
121.08376	1.5
122.03616	2.1
125.05958	2.6
129.72122	1.1
133.02814	24.7
133.08452	1.7
134.99611	2.4
135.04391	2.8
135.08035	1.3
137.05963	15.7
139.03873	4.8
141.06935	2.5
147.04417	2.8
151.03835	1.7
153.01883	1.3
153.05447	28.7
155.04803	5.0
157.06480	1.5
158.99582	1.3
159.04407	2.1
161.01178	2.7
163.03848	1.2
165.04160	2.5
165.05461	27.3
165.06871	1.5
167.02148	1.2
167.03357	7.0
167.07022	4.2
169.06488	1.9
173.05946	6.7
175.07704	1.2
177.00644	1.8
182.05725	100.0
183.04413	2.3
185.05963	1.5
195.06532	7.3
196.07283	5.7
197.06006	4.9
197.08044	28.8
201.05464	7.7
203.06944	3.2
215.06956	2.6
225.05423	2.9
225.13000	4.3
229.04916	7.8
243.06422	2.8
253.04832	1.4
271.05969	36.4
271.08905	1.6
271.10367	1.8
271.13428	6.4
271.26367	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.01868	1.6
55.05494	0.9
60.62057	0.6
67.05491	2.8
68.05000	2.0
68.99784	4.8
69.03414	1.1
69.07050	2.0
70.09149	0.8
70.09422	3.3
77.03914	0.8
78.04715	1.2
79.05484	7.1
80.05001	2.3
81.03404	0.9
81.05788	2.2
81.07053	4.7
82.72907	0.6
83.04981	0.7
85.02887	0.8
85.06503	1.0
91.05471	10.2
91.42565	0.7
93.05779	2.4
93.07029	4.5
94.06570	4.9
95.04962	2.1
95.08612	1.6
96.08118	13.9
103.05451	1.5
104.04985	3.6
105.05785	0.9
105.07023	2.3
106.06529	1.7
107.04944	2.4
107.08608	1.0
109.02886	0.8
109.10172	1.3
110.06075	1.5
110.62401	0.7
111.00864	0.7
111.10470	0.7
112.84511	0.6
115.05447	1.5
116.04959	2.5
117.05752	1.0
117.07048	2.0
118.06532	100.0
119.04951	1.5
119.07330	16.7
119.08588	1.2
120.08099	12.7
121.10133	1.1
122.06017	5.1
124.07580	74.8
126.09148	4.9
128.05260	0.7
128.06177	1.7
129.06984	5.3
131.08566	1.9
131.10248	0.7
133.10103	1.3
137.05986	0.9
141.06981	3.0
143.08571	2.9
145.06516	0.8
145.10162	0.9
146.05997	34.8
147.05583	1.6
147.06778	38.4
148.07558	81.8
149.05975	0.9
149.07927	0.9
151.03880	1.0
152.06154	0.8
153.06979	2.8
155.04910	1.4
155.08563	2.7
157.06525	1.3
157.10120	2.4
161.09598	0.7
164.07082	2.4
165.06998	6.8
168.05736	1.7
169.06587	1.7
169.10112	1.5
170.09697	0.8
171.11618	3.5
173.05968	3.5
181.06491	2.1
182.07169	0.9
183.04408	1.3
183.08034	4.1
183.11708	1.1
185.06029	1.2
185.24495	0.7
187.07626	1.1
193.06407	0.9
196.09966	0.7
197.05957	2.7
198.12796	2.1
198.56108	0.8
200.14371	4.6
201.05528	3.8
203.07057	2.7
209.13254	1.1
211.07500	4.8
211.14865	1.9
214.11073	0.8
215.07156	0.8
215.15475	5.7
218.08179	1.6
221.05838	1.0
225.05464	1.2
225.14001	1.2
226.12303	1.8
229.04970	5.5
229.13342	0.7
235.14867	1.9
239.07166	1.6
243.06535	2.0
243.10266	1.0
243.14908	16.2
243.17213	1.2
245.16444	1.0
253.04787	1.6
253.13409	2.3
253.15797	1.5
254.11845	3.7
256.07224	1.0
271.06064	18.5
271.09683	9.2
271.14401	23.0
271.17004	4.5
289.12170	1.3
289.15411	16.9
289.18509	1.1
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	Hexestrol
Peak:m/z	Relative Intensity
54.95741	0.5
55.05488	2.3
57.03418	0.8
61.22728	0.6
67.05502	7.5
69.07049	2.6
69.77970	0.6
71.52964	0.9
73.56087	0.5
78.04704	0.6
79.05493	3.7
81.07045	9.3
85.06596	0.6
91.05471	7.0
93.07043	4.6
94.17683	0.6
95.04949	1.4
95.08596	11.1
105.01353	0.6
105.07024	9.1
107.04956	1.0
107.08591	9.9
109.06493	1.3
109.10150	9.7
115.05430	1.4
117.07013	2.2
119.08583	4.3
121.06506	9.2
121.10115	2.6
123.08068	5.2
125.06007	0.8
128.06207	1.3
129.06975	2.0
131.08568	1.5
133.06534	0.8
133.07497	0.6
133.10115	9.9
134.07225	0.7
135.08038	7.6
137.05933	2.1
137.09579	0.9
141.06934	0.7
142.07695	0.8
143.08508	1.4
145.06448	2.1
147.08061	2.1
147.11687	0.6
148.03893	0.9
148.05115	0.7
149.05939	6.4
149.09560	3.1
150.06709	1.0
151.07532	16.7
151.11148	1.1
153.06999	1.3
154.07706	0.9
155.08539	4.5
156.09473	0.8
157.06519	1.3
157.10133	2.7
158.07246	2.3
159.08038	2.2
161.09669	1.7
163.07544	5.1
163.11150	0.9
165.06985	0.7
165.09113	4.8
167.08522	0.9
169.10104	4.6
170.01292	0.7
171.08096	0.8
172.08833	7.1
173.06044	0.9
173.09596	4.0
174.06793	1.4
175.07559	5.5
177.09074	7.7
179.10658	1.2
181.10081	1.4
182.10876	1.0
183.08011	0.7
183.11644	1.1
184.08841	0.8
185.09622	1.7
186.10420	1.1
187.07527	1.7
187.11147	4.7
188.08322	1.2
189.09096	10.2
191.10623	5.5
195.07965	0.9
195.11623	0.9
196.08737	1.1
196.12524	1.7
197.09566	2.1
198.10506	0.9
199.11130	0.9
200.08282	0.8
201.09090	6.3
201.12724	1.2
202.09868	1.8
202.44382	0.7
203.10680	4.0
205.52545	0.7
209.09596	1.5
210.10387	1.6
211.11162	1.6
211.14799	8.3
213.09018	0.9
213.12697	1.0
213.16273	1.3
214.09859	1.7
215.10657	15.3
216.11420	0.7
221.13235	0.9
223.11200	1.3
224.11975	1.6
225.12650	1.2
227.10638	1.1
228.11467	0.9
229.12193	4.0
229.15820	0.8
239.14342	3.8
241.12254	2.0
242.12917	0.9
243.13799	1.4
243.17406	5.1
253.15939	4.5
256.14536	2.7
271.06012	5.4
271.16907	100.0
272.17191	2.4
293.90750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1689
Annotation	Hexestrol
Peak:m/z	Relative Intensity
51.09402	0.7
51.14437	0.6
53.03931	1.2
55.05490	2.6
57.07063	0.7
57.66472	0.6
64.52721	0.6
65.03913	1.4
67.05493	7.3
69.03372	1.0
69.07063	5.7
71.52917	1.1
77.01279	0.8
79.05483	4.6
81.03415	0.9
81.07045	10.7
83.08590	2.1
91.05470	8.0
93.07027	5.5
93.44029	0.7
95.04961	1.8
95.08593	10.2
103.05451	1.6
105.07023	11.6
107.04957	0.8
107.08585	8.3
109.06495	1.0
109.10146	9.0
115.05470	1.7
117.06989	2.2
119.08565	4.3
121.06495	14.9
121.10141	5.2
123.08051	6.8
128.06224	1.9
129.06973	3.4
130.07777	0.8
131.08565	1.8
133.10123	7.8
135.08051	9.5
137.05949	3.9
141.06947	2.5
142.07715	2.3
143.08534	3.2
144.05652	1.1
145.06445	2.1
145.10089	1.8
146.07288	0.8
147.08012	1.8
147.11693	2.0
148.05206	0.8
149.05991	7.5
149.09592	3.1
150.06670	0.9
151.07521	18.7
153.07016	1.8
154.07742	2.1
155.08548	8.8
156.09300	2.1
157.06453	2.3
157.10109	2.1
158.07249	3.3
159.08018	4.2
159.11691	2.1
161.05946	0.9
161.09621	2.1
162.06775	0.9
163.07536	6.4
163.11179	1.7
165.07019	1.6
165.09067	5.1
167.07057	0.9
167.08476	1.9
169.06441	0.9
169.10074	7.0
171.08038	2.8
171.11758	1.2
172.08810	10.2
173.05904	0.9
173.09612	7.0
173.13286	1.0
174.06746	1.3
175.07544	5.5
175.11208	1.2
177.09077	8.9
179.10669	1.2
181.10112	3.0
182.10899	2.8
183.08011	1.6
183.11687	2.2
185.09613	3.1
186.10374	2.1
187.07555	3.2
187.11197	5.8
188.08310	1.0
189.09084	14.6
191.10683	7.7
195.08087	1.9
196.08849	1.2
196.12500	2.1
197.09587	3.5
198.10431	1.3
199.07495	1.8
199.11147	2.5
200.08299	2.6
201.09087	9.5
201.12703	2.0
201.16365	0.9
202.09900	2.6
203.10625	5.9
209.09636	2.3
210.10333	2.4
211.11314	3.8
211.14795	11.8
213.09073	2.0
213.12726	2.4
213.16391	2.5
214.09868	3.2
215.10638	27.3
216.11282	1.9
216.29366	0.7
221.13249	1.4
223.11160	2.0
224.11917	3.4
225.12709	2.2
227.10646	2.2
228.11400	2.4
228.15031	1.1
229.12236	7.1
229.15845	1.7
238.13535	1.7
239.14297	5.3
240.15060	1.5
241.12189	3.4
242.13014	1.5
243.13733	1.1
243.17418	7.2
253.15878	6.1
256.14502	3.8
271.05994	6.4
271.16901	100.0
271.24225	3.0
271.31714	0.8
272.17236	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1688
Annotation	Hexestrol
Peak:m/z	Relative Intensity
53.03933	1.2
55.05497	2.1
57.03436	0.7
57.46774	0.7
62.32474	0.6
65.03931	0.8
67.05495	9.5
68.99789	2.3
69.03461	0.7
69.03861	0.9
69.07059	3.7
71.53120	1.1
79.05486	5.0
81.07042	12.4
82.01151	0.7
83.08590	1.6
85.06525	1.4
87.97825	0.6
88.77236	0.7
90.68810	0.7
91.05460	9.5
93.07032	4.4
95.04950	1.6
95.08595	15.4
97.06502	0.9
97.10139	1.2
103.05444	1.0
103.98758	0.7
105.07007	9.2
107.04865	0.9
107.08592	8.9
108.05666	0.8
109.06525	1.6
109.10126	8.9
115.05412	1.3
117.07009	2.6
119.04888	0.9
119.08575	3.9
121.06493	11.0
121.10111	2.5
123.08039	4.9
123.11691	0.7
128.06206	1.8
129.06975	2.5
129.69904	0.6
131.08522	2.8
133.10121	8.2
135.08057	7.7
137.05942	1.7
137.09581	0.9
141.06999	2.7
142.07767	1.7
143.08569	2.3
145.10046	0.8
146.07224	0.9
147.08040	1.6
149.05959	4.7
149.09612	2.9
150.06769	1.5
151.07530	17.6
155.08499	3.7
157.06435	1.8
157.10121	1.5
158.07237	2.3
159.08008	3.3
161.09537	0.9
161.13272	3.3
162.06795	0.8
163.07526	7.0
165.06999	1.1
165.09079	5.4
167.08580	2.1
168.09395	0.8
169.10106	3.9
171.08093	1.3
171.11604	1.0
172.08763	6.6
173.05939	1.7
173.09607	3.4
174.06712	1.1
175.07491	5.3
176.08324	0.8
177.09081	8.2
179.08540	0.9
179.10626	0.9
179.14241	2.0
181.10117	1.2
182.10953	1.1
183.04539	0.7
183.08049	1.4
183.11696	1.6
185.05890	0.8
185.09587	1.8
187.07469	2.2
187.11131	5.0
188.08279	1.4
189.09071	8.6
190.09932	0.9
191.10690	4.6
196.08847	1.1
196.12486	1.8
197.05980	1.0
197.09601	2.3
199.07504	0.8
199.11064	0.8
200.08475	1.2
201.09055	7.4
201.12666	1.2
202.09837	0.9
203.10666	3.1
209.09579	1.3
210.10345	1.2
211.11176	1.8
211.14795	8.1
213.09174	1.2
213.12723	2.0
213.16348	0.9
214.09854	1.7
215.10646	18.3
216.11304	1.3
221.13139	0.9
222.72498	0.8
224.11922	1.8
227.10640	0.9
228.11436	1.0
229.04880	1.8
229.12177	4.1
239.14285	3.3
240.14911	0.8
241.12167	2.4
243.13660	1.1
243.17398	4.0
253.15678	4.2
256.14563	3.0
271.05960	10.5
271.16885	100.0
272.17090	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	271.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.05503	55.8
57.07075	20.8
65.03926	3.8
67.05498	64.2
68.99772	3.5
69.03409	3.5
69.07063	97.4
69.26627	2.8
70.69031	9.2
71.04973	10.1
71.08628	8.2
79.05492	24.6
81.07047	100.0
83.04963	7.2
83.08613	48.6
85.02889	4.1
85.06521	7.0
85.10165	6.5
91.05469	40.5
93.07027	34.5
94.16222	2.8
95.04961	3.5
95.08598	75.4
97.06524	9.8
97.10163	40.6
99.08076	4.3
99.97075	3.1
103.05451	2.9
105.07016	34.8
107.08589	29.8
109.06516	8.9
109.10145	38.8
110.64565	3.1
111.08147	2.7
111.11711	22.5
112.97227	3.1
119.08569	35.5
121.06499	4.4
121.10110	25.9
121.27535	3.1
123.08064	10.1
123.11691	17.1
125.09611	4.3
125.13302	3.5
131.08556	4.3
133.10121	41.8
135.11682	18.6
137.09619	16.8
137.13284	10.4
139.11171	6.7
147.11662	27.5
149.13228	6.7
151.07472	3.2
151.11139	10.8
151.14804	10.4
160.80226	3.5
161.13240	24.3
165.12796	10.1
173.88445	2.7
174.06648	4.3
175.14790	7.0
179.14320	5.5
185.04462	7.5
185.06013	3.9
189.09102	11.2
189.16422	3.1
191.17926	7.2
193.19507	10.6
197.54686	3.2
201.09070	13.2
215.10704	9.1
217.19502	73.7
229.15891	5.3
235.20558	29.5
243.10121	3.1
271.05942	23.0
271.16922	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.2
55.05510	68.0
57.07072	21.5
57.72212	3.2
58.07434	3.3
67.05498	62.9
68.99777	7.8
69.07067	96.3
71.04974	6.3
71.08624	7.7
71.52231	3.6
71.52608	4.3
73.83338	3.2
79.05475	19.7
81.07050	98.8
83.04963	8.2
83.08613	57.0
85.06535	7.7
85.10162	6.2
91.05476	35.1
93.07047	39.5
95.04956	4.7
95.08604	88.4
97.06538	9.0
97.10159	36.9
99.08064	4.2
105.07021	34.6
106.94740	3.3
107.08607	28.7
109.06498	8.9
109.10153	35.7
111.08125	4.2
111.11736	20.9
113.06010	4.2
119.08577	35.3
121.10136	25.9
123.08044	11.7
123.11680	17.0
125.13266	6.4
127.03851	4.0
127.07453	4.3
130.85443	4.2
133.10129	47.0
135.11674	23.2
137.09584	19.1
137.13248	11.7
139.11186	7.8
141.07030	5.7
147.11671	36.7
149.13254	9.1
151.11159	15.7
151.14822	14.8
153.12766	5.1
155.08499	3.7
157.06438	5.0
161.13266	21.4
163.14874	5.7
165.06937	4.5
165.12749	6.6
169.06427	7.6
175.14825	6.3
179.14362	5.3
189.16267	6.2
191.17975	6.1
193.19501	14.7
197.05821	5.0
211.07608	8.7
217.19514	100.0
225.09062	4.2
229.04956	7.8
235.20525	45.9
254.24753	9.0
256.71588	4.0
271.05972	45.2
271.09570	12.7
271.12903	4.5
271.16876	8.6
271.20529	7.0
271.24295	8.2
272.06134	4.0
272.10455	13.2
272.25827	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	272.1127
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
53.03937	0.5
55.01862	1.0
56.96298	0.7
56.96560	9.9
57.03422	1.7
61.02922	2.8
61.63855	0.3
65.03928	3.0
69.03422	5.2
70.06585	0.8
70.12093	0.3
70.12422	1.5
71.01331	0.5
71.04982	0.8
71.95267	0.3
73.02905	2.0
76.76199	0.4
80.04998	0.6
81.03409	2.0
83.01319	0.4
84.08154	0.5
84.96014	2.2
85.02895	12.0
85.05124	0.4
86.42697	0.4
87.04461	1.3
92.04996	33.8
93.05802	3.4
94.06560	5.4
97.02882	4.9
98.97571	9.5
99.04453	1.6
101.00878	0.6
107.04910	0.5
109.02857	1.5
110.06027	100.0
110.97562	0.7
111.06408	0.6
112.05102	1.7
116.98615	5.6
117.02155	1.0
118.03551	0.4
119.01877	1.7
121.01683	0.8
124.99089	0.7
127.03923	2.4
128.02332	0.4
128.98575	1.0
130.93279	1.0
131.00180	0.8
131.01884	0.9
131.03711	0.5
133.01697	0.6
133.03427	1.0
133.76169	0.3
134.99652	3.4
135.03214	0.6
137.05952	0.5
143.00157	2.6
143.01846	0.8
144.98018	0.4
145.01717	0.4
145.03441	0.6
145.04939	1.4
146.03835	0.3
146.05029	0.5
146.99588	0.7
147.05028	0.4
149.01190	0.6
149.04718	0.6
152.07047	1.7
153.00644	0.5
153.05754	1.9
153.55919	0.5
154.54057	0.4
155.04633	1.3
157.03441	0.5
158.99596	1.7
161.01219	5.4
161.02873	1.0
161.04547	0.4
161.06613	1.7
162.06352	1.3
162.56392	0.4
162.99124	0.9
163.04402	1.2
170.05159	0.8
171.05142	0.5
171.06747	0.4
172.94315	1.8
173.01195	0.4
173.02965	0.8
174.03169	0.5
174.99123	0.6
175.02528	0.4
177.00725	2.3
177.04210	0.8
178.04913	1.0
179.02275	0.9
179.07642	1.0
185.02885	0.5
186.99097	0.5
189.00824	0.5
189.04147	0.4
190.95354	2.8
191.03888	0.7
193.00125	0.6
201.00806	0.5
203.02119	0.5
203.03902	0.8
203.07570	0.7
205.00237	1.2
205.03802	0.5
208.14502	0.4
208.96410	1.1
213.00699	0.7
215.07550	0.6
219.01787	0.8
223.01251	1.6
227.06984	0.4
232.96452	2.9
237.02777	0.9
248.96014	0.6
248.99196	2.0
249.02788	1.1
250.97523	2.4
254.10211	1.7
257.05286	0.4
266.97385	0.7
267.00189	2.2
267.03720	0.9
272.11258	15.9
272.15735	0.6
273.09415	1.9
289.07355	0.4
291.03949	0.5
291.23505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1278
Annotation	(R)-Norcoclaurine
Peak:m/z	Relative Intensity
53.03942	0.7
55.01855	0.6
55.88794	0.5
56.96562	0.6
64.96073	0.6
66.35168	0.4
67.05505	0.6
68.99785	1.3
69.03432	0.7
69.64230	3.7
70.00066	0.4
70.06564	0.9
73.57644	0.5
77.03951	0.5
79.05469	1.8
84.04477	0.5
84.08120	0.5
85.02879	1.0
85.06551	0.7
86.06032	0.5
91.05453	2.4
95.04943	1.8
97.02868	0.6
103.05458	1.0
105.06996	1.2
107.04942	100.0
108.05254	1.0
110.06000	0.8
114.81419	0.5
115.05440	6.1
116.48503	0.5
117.07036	1.3
119.04940	2.6
121.02824	0.6
121.06493	1.0
123.04412	13.9
124.07577	0.5
130.06523	1.9
131.04918	1.6
133.06491	1.4
137.05942	1.9
143.04907	10.5
145.06459	7.0
147.04417	1.5
149.02371	0.5
149.05986	1.6
151.03918	0.6
155.05975	0.6
157.07628	3.7
161.01295	0.5
161.05957	18.3
164.07071	1.2
166.07631	0.8
173.05951	0.6
174.06378	1.1
181.06462	1.1
181.10167	0.6
183.04361	0.7
184.70781	0.5
190.07755	0.8
191.08551	1.3
194.07187	1.3
197.06032	1.0
198.06331	1.0
202.05824	0.9
209.09586	2.9
211.07529	1.0
219.07983	0.6
226.06042	1.4
226.10709	1.0
230.05345	1.3
237.09039	3.2
239.06982	0.6
240.07799	1.1
242.09174	0.7
244.10596	0.8
245.07945	0.5
254.05188	0.7
255.10132	29.0
257.06897	0.8
272.06604	6.5
272.10165	4.4
272.12802	35.1
273.07596	1.3
273.13312	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	Hydramacrophyllol B
Peak:m/z	Relative Intensity
53.03932	1.8
55.01868	1.6
55.05499	1.0
65.03919	1.4
67.05493	2.6
68.99786	4.0
69.03429	1.2
77.03901	0.8
78.81812	0.6
79.05481	1.6
81.03394	2.1
81.07063	1.7
83.04958	2.1
85.02897	1.0
91.05474	9.4
93.07056	1.1
95.04961	29.4
103.05454	1.2
105.04452	0.7
105.07001	1.7
107.04946	36.5
107.08614	0.9
109.02836	0.6
109.10172	0.8
111.00805	1.9
111.04434	2.1
115.05438	1.4
117.06980	1.4
119.04932	100.0
120.05183	1.0
121.02853	9.9
121.06491	3.2
123.04417	67.6
124.04760	1.2
127.03903	0.8
129.06985	0.8
131.04924	1.1
133.06482	7.5
135.04372	1.2
138.03041	0.9
139.03865	6.6
141.06987	2.8
145.06491	2.8
147.04390	15.0
149.02335	24.3
149.05974	2.6
151.03891	20.6
151.11217	0.9
153.05453	10.6
153.06911	1.7
155.04913	1.4
157.06493	3.1
159.07997	1.0
161.05997	4.2
163.03864	2.2
169.06490	3.4
171.04372	1.5
173.06038	0.7
175.07549	1.0
179.03354	1.7
181.06497	2.4
181.08542	3.7
185.06018	1.7
187.03928	1.3
189.05449	2.2
197.06007	2.7
199.07524	2.6
201.05469	1.9
203.07130	1.5
213.05540	1.9
215.07002	27.1
216.07486	0.8
225.05487	1.4
227.07040	1.8
229.04933	1.3
229.36244	0.7
231.06563	1.5
241.08730	1.1
243.06502	23.8
243.11385	1.4
245.04417	2.4
245.08041	6.7
255.06551	5.3
273.04208	1.2
273.07568	16.0
273.11932	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.86681	0.5
52.28494	0.6
53.03924	0.4
65.03933	0.8
67.01872	2.8
67.05476	0.5
68.99789	2.6
69.03419	2.0
69.07031	0.4
69.69962	1.2
69.70370	1.8
81.03426	0.5
81.07047	0.7
83.08615	0.5
87.26899	0.5
90.87538	0.4
91.05479	8.4
95.04959	3.8
96.41828	0.5
97.02879	1.6
107.04942	4.2
111.00768	1.3
115.05458	0.7
119.04933	25.9
121.02837	0.9
121.06500	0.9
123.04422	10.0
133.06496	0.6
139.03865	0.8
143.42262	0.4
145.06448	0.7
147.04399	44.1
148.04832	0.5
149.02290	1.5
149.05968	0.6
151.03922	1.5
153.01817	100.0
153.06834	1.0
154.02136	0.7
162.94620	0.4
163.03925	0.5
163.07509	0.9
168.05724	0.5
171.02914	5.2
171.04321	0.9
171.08101	0.7
179.03406	1.1
181.06485	1.4
189.05463	1.7
197.06007	0.7
201.72858	0.4
209.06030	0.5
213.09090	0.9
215.06940	1.4
227.03304	0.5
229.04907	0.5
231.06436	0.7
241.08545	0.6
243.06512	1.3
255.06490	1.4
273.04257	3.7
273.07547	87.2
274.04816	0.9
274.07806	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	273.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.1
65.03954	0.8
67.01860	2.6
68.99778	2.5
69.03411	2.1
70.59004	1.5
91.05474	7.7
95.04960	2.3
97.02890	2.8
98.97567	0.7
107.04956	3.0
111.00784	0.7
119.04095	1.0
119.04933	17.5
119.99225	0.5
121.02891	0.6
123.04401	4.7
126.07585	0.5
128.98579	0.6
129.61069	0.5
137.02325	0.6
146.99582	0.5
147.04404	40.6
148.04677	0.6
149.69931	0.6
151.03905	1.5
153.01817	100.0
154.02151	1.5
158.69757	0.7
171.02869	3.9
179.03363	0.7
181.06535	0.5
189.05499	0.8
215.07059	0.7
222.83910	0.5
231.06599	0.7
255.06622	0.8
273.07550	76.6
274.04639	1.5
274.07883	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	273.0753
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.03931	0.5
55.01849	0.6
55.05481	0.5
65.03925	0.8
67.01538	0.3
67.01862	5.4
67.05483	1.1
68.99773	3.2
69.03427	1.8
69.07057	0.5
69.75043	0.3
71.53233	0.6
74.08660	0.3
79.05474	1.1
81.03404	0.8
81.07045	1.7
83.01309	0.8
85.02862	0.5
85.06512	0.4
91.05474	8.6
93.07019	0.9
95.04952	4.6
95.08617	0.5
97.02878	1.0
98.97575	0.9
99.61151	0.3
103.05412	0.4
105.07005	0.6
107.04948	4.9
107.08612	0.5
109.10114	0.6
111.00765	0.7
111.04388	0.4
112.32259	0.3
116.98614	0.9
117.06973	0.5
119.04929	22.8
119.08554	0.8
121.02865	0.8
121.06494	1.9
121.10120	0.7
123.03564	0.6
123.04411	9.3
123.11726	0.3
125.02387	0.8
127.03896	0.8
129.01840	0.6
129.06990	0.5
130.07700	0.3
131.08572	0.3
133.06435	0.6
135.04333	0.4
136.49742	0.3
139.03917	0.6
145.10085	0.6
147.04391	38.9
148.04715	0.7
149.02332	1.5
149.05983	1.0
149.13235	0.4
151.03894	2.8
151.07539	0.6
152.06186	0.3
153.01808	100.0
153.06871	2.0
154.02119	1.3
157.06462	0.5
161.05908	0.4
163.07487	0.4
167.03319	0.3
169.06357	0.5
171.02870	17.7
172.87199	0.4
173.13225	0.5
174.00131	0.3
179.03351	1.3
181.06450	2.3
185.06024	0.4
189.05447	1.4
197.06021	0.4
198.06740	0.4
209.05957	0.4
213.09079	1.4
213.16498	0.4
215.06966	1.5
215.10669	0.3
217.08572	0.3
219.93143	0.3
227.10706	0.4
231.06493	0.9
241.08565	1.4
243.06444	1.2
245.07997	0.4
249.02568	0.4
252.09335	0.6
255.06500	1.2
273.07547	65.1
273.18552	1.0
274.07925	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	2beta-5,7-Trihydroxyflavanone
Peak:m/z	Relative Intensity
53.03934	1.2
55.01858	0.7
55.05508	5.7
56.96554	0.8
57.03458	0.6
57.07058	2.9
63.26683	0.7
65.03933	1.1
66.88580	0.7
67.01847	2.3
67.05499	8.9
68.99767	2.6
69.03411	2.4
69.07062	8.6
70.58988	0.6
71.08634	0.8
71.52367	1.0
71.52747	1.3
72.70177	0.6
79.05486	5.8
81.03419	0.8
81.07050	15.1
83.04960	0.9
83.08608	4.6
91.05473	14.2
93.07033	11.2
95.04964	6.0
95.08602	16.6
97.02869	1.2
97.06520	0.9
97.10174	1.6
98.97592	1.9
105.07028	11.6
107.04942	6.0
107.08591	9.9
109.06530	1.7
109.10159	9.7
111.00794	1.0
111.04438	0.8
116.98609	1.4
117.07000	2.3
119.04935	29.2
119.08569	7.8
121.02849	2.2
121.06504	2.2
121.10121	8.0
123.04427	14.3
123.11711	5.0
123.51927	0.7
128.06186	0.8
129.06996	1.1
131.04951	1.0
131.08559	3.0
133.06485	1.5
133.10120	6.9
134.99655	1.2
135.04367	0.8
135.08043	1.4
135.11684	5.2
137.13229	2.1
139.03923	1.6
141.06985	1.1
142.07793	0.9
143.08554	2.0
145.06427	0.9
145.10086	4.1
147.04398	47.2
147.11676	5.5
148.04765	1.0
149.02354	1.6
149.06015	1.8
149.13245	5.5
151.03880	6.5
151.07526	2.7
153.01819	100.0
153.06964	3.8
154.02173	1.4
155.08556	1.1
156.09384	0.9
157.10130	3.0
159.11690	1.9
161.06027	1.2
161.09651	1.0
161.13280	4.4
163.03929	1.9
163.11130	0.9
163.14835	3.2
165.05530	1.0
167.08440	0.8
169.06468	1.4
169.10063	1.0
171.02917	3.3
171.08073	1.0
171.11700	2.5
173.09578	1.1
173.13214	1.0
175.11205	0.8
175.14835	2.2
177.16388	2.4
179.03415	1.2
181.06439	4.3
185.13263	0.7
189.05495	1.8
189.16388	1.5
195.08035	1.3
197.06004	1.3
197.13263	1.6
199.07542	0.7
199.11200	1.1
203.07068	1.1
203.17908	1.8
211.14871	1.4
212.15692	0.9
213.09140	2.7
213.16438	2.2
215.07008	2.5
217.08516	1.5
217.19484	1.8
227.10768	1.1
241.08557	2.9
243.04402	0.8
243.06645	1.8
245.08101	1.4
255.06544	0.9
255.17461	3.1
273.07568	94.2
273.11005	5.1
273.14941	3.6
273.18378	7.8
273.22644	1.5
273.25723	16.1
274.07886	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	273.1845
Annotation	Przewalskin
Peak:m/z	Relative Intensity
53.03938	2.0
55.05505	5.1
58.36693	0.6
59.11242	0.5
65.03919	0.7
67.05491	6.0
69.07059	6.6
70.00253	2.1
77.03909	0.7
79.05490	4.2
81.07047	8.4
83.08597	1.8
91.05468	10.9
93.07039	10.0
95.04965	3.2
95.08598	6.5
97.10137	1.3
103.05449	1.3
105.07018	5.3
107.04968	0.8
107.08578	5.2
108.05764	2.6
109.06484	1.4
109.10140	9.2
110.66496	0.6
111.11708	0.8
115.05416	0.9
117.06993	2.2
119.04919	2.1
119.08540	2.8
121.06493	28.1
121.10140	3.1
123.04426	0.8
123.08052	24.4
123.10809	1.0
123.11691	16.3
128.06248	0.9
129.06999	1.5
131.04880	0.6
131.08565	2.1
133.10124	1.4
135.08040	9.0
135.11681	5.8
137.05971	5.0
137.09616	0.9
138.06744	1.0
139.07558	1.0
142.07742	0.7
143.08572	2.7
145.06439	1.6
145.10143	0.6
146.07205	1.0
147.08032	2.2
148.05197	0.7
149.05969	12.9
149.09608	3.1
150.06779	1.0
151.07524	100.0
152.07907	1.3
153.01981	0.6
155.08601	0.7
157.06464	0.7
157.10117	1.4
158.07269	1.2
159.08041	2.6
159.11679	0.8
160.08820	1.2
161.05940	1.8
161.09579	2.6
162.06775	0.8
163.07529	5.7
163.11166	1.3
165.09067	6.6
167.06987	1.2
171.08040	1.6
171.11662	0.8
172.08736	0.9
173.09595	2.2
174.06836	0.7
174.10498	0.7
175.07533	6.4
175.11168	2.0
176.08301	1.4
177.09087	11.2
179.10593	1.6
185.09608	3.0
186.10526	1.0
187.07524	1.4
187.11182	1.1
188.08340	2.5
189.09100	10.4
189.12662	0.8
190.09830	0.6
191.10658	9.2
193.12155	0.6
198.10497	0.6
199.11238	3.0
202.09941	1.8
203.10638	8.7
205.12228	1.3
213.12741	0.8
213.16434	1.0
217.12209	9.6
231.13734	2.0
237.12009	1.2
241.15788	1.8
243.11981	1.7
245.18822	0.6
255.17409	5.0
273.18460	70.9
274.18738	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	273.1846
Annotation	Przewalskin
Peak:m/z	Relative Intensity
51.02371	0.6
51.98877	0.4
53.03941	1.5
53.69614	0.5
54.18906	0.4
55.05511	4.5
65.03934	0.6
67.05501	4.9
69.07060	3.5
69.98297	1.1
69.98719	2.0
74.20596	0.4
79.05487	3.0
81.07052	7.1
83.08616	1.3
85.27522	0.4
87.88837	0.5
91.05474	10.0
92.91474	0.4
93.07039	9.1
95.04958	3.0
95.08597	4.7
97.10136	1.4
103.05451	1.0
105.04501	0.9
105.07018	4.3
107.04946	0.9
107.08589	3.9
108.05727	1.6
109.06487	0.8
109.10139	7.5
115.05416	0.8
117.07002	1.6
119.04906	1.2
119.08550	1.9
121.06488	24.8
121.10123	2.6
123.04420	0.7
123.08053	22.0
123.11691	17.6
128.06201	1.5
129.06964	1.0
131.08525	1.2
133.10147	1.3
135.08049	7.8
135.11684	6.2
137.05968	4.3
137.09561	0.5
138.06732	0.6
143.08533	0.8
145.06479	0.7
146.07335	0.5
147.08057	1.6
149.05966	11.5
149.09586	3.1
150.06657	0.6
151.07529	100.0
152.07838	1.7
157.10094	1.2
158.07188	0.7
159.08076	1.4
159.11772	0.5
161.05940	1.1
161.09608	2.1
162.06808	0.8
163.07512	4.9
163.11189	1.1
165.09111	5.9
167.07007	0.7
171.07959	0.8
173.09608	1.5
174.06844	0.9
175.07515	4.8
175.11166	1.5
176.08340	0.9
177.09103	7.7
179.10585	1.2
185.09523	2.5
186.10246	0.5
187.07474	0.5
187.11174	0.9
188.08353	1.5
189.09084	8.0
191.10643	6.4
199.11162	2.0
200.11591	0.4
203.10637	7.2
205.12279	0.8
213.12657	0.9
217.12206	7.6
227.14226	0.6
231.13751	2.0
241.15790	1.2
255.17416	3.6
270.30862	0.6
273.18472	56.0
274.18823	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1845
Annotation	Przewalskin
Peak:m/z	Relative Intensity
55.05489	4.0
55.70152	0.9
57.07058	1.0
67.05482	3.0
69.07057	9.7
71.31972	1.0
71.32325	1.0
79.05455	2.2
81.07056	4.6
83.08601	2.5
88.13255	0.9
91.05465	6.2
93.07019	4.1
95.04940	1.7
95.08584	3.1
97.10107	1.2
105.07006	3.8
107.04946	1.9
107.08565	1.9
108.05690	0.9
109.10140	5.1
117.06969	2.0
119.04914	2.8
119.08562	2.6
121.06491	13.3
121.10118	1.3
123.04409	3.5
123.08074	8.9
123.11665	4.1
128.06238	1.5
129.07036	1.9
131.08543	2.4
133.10074	1.8
135.08029	7.9
135.11681	2.0
137.05992	2.2
141.06941	0.8
142.07753	1.5
143.08543	3.8
145.06421	1.3
145.10114	1.8
147.04413	1.6
147.08020	1.7
149.05969	9.5
149.09605	2.6
151.07523	43.2
153.01814	1.1
157.10104	3.7
158.07211	1.4
159.08031	1.5
161.05969	4.4
161.09602	2.4
163.07512	7.1
163.11235	2.2
163.39903	0.9
165.09073	1.9
171.07991	2.3
171.11627	1.2
173.09639	2.5
175.07530	14.3
175.11230	1.8
176.08281	2.8
177.09077	8.6
178.71590	0.8
185.09604	2.6
188.08328	3.6
189.09061	11.8
190.09811	0.9
191.10641	18.8
199.11182	1.4
202.09863	2.0
203.10657	18.3
205.12196	16.6
213.12769	2.6
217.12253	10.8
227.10681	1.6
231.13718	8.2
245.15329	13.1
255.17404	2.2
260.36682	0.9
273.07663	2.1
273.18460	100.0
274.18842	3.0
274.27441	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1845
Annotation	Przewalskin
Peak:m/z	Relative Intensity
51.10635	0.4
53.03932	1.4
55.05509	3.7
55.87062	0.4
57.07062	0.9
65.03931	0.7
67.05495	5.5
69.07063	5.3
69.99709	1.3
70.00114	0.8
74.70325	0.4
76.43098	0.4
77.03920	0.4
79.05481	3.9
81.07049	7.1
83.08606	1.9
89.59184	0.3
91.05470	10.6
93.07032	8.1
95.04955	2.8
95.08600	5.1
97.10159	1.1
103.05449	0.8
105.07017	4.9
107.08580	3.6
108.05727	2.5
109.06508	0.8
109.10146	7.8
111.11673	0.5
115.05446	0.7
117.06997	1.7
119.04934	0.9
119.08550	1.9
121.06489	24.6
121.10126	2.3
121.68760	0.4
123.04385	0.5
123.08054	23.6
123.11690	16.3
128.06154	0.6
129.06995	1.1
131.04857	0.4
131.08559	1.4
132.05708	0.6
133.06528	0.6
133.10083	1.1
135.08035	8.3
135.11667	6.9
137.05948	4.4
137.09586	0.9
138.06699	0.9
139.07544	0.8
142.07739	0.9
143.08582	2.0
145.06451	1.0
145.10197	0.5
146.07254	0.7
147.08014	2.1
149.05969	12.0
149.09531	2.7
151.07524	100.0
152.07863	1.1
153.09187	0.4
157.10107	1.3
158.07266	0.7
159.08032	1.5
160.08818	0.7
161.05962	1.4
161.09607	1.6
162.06778	0.9
163.07521	5.7
163.11168	0.8
165.09097	6.2
167.06964	0.5
171.08046	0.7
171.11633	0.6
172.08769	0.4
173.09644	1.5
174.06712	1.0
175.07527	5.2
175.11142	1.8
176.08237	1.0
177.09081	8.9
179.10645	1.2
185.09581	2.9
187.11185	0.6
188.08270	2.0
189.09090	6.6
189.12703	0.6
191.10643	6.6
199.11140	2.2
202.09822	1.1
203.10645	8.8
205.12244	1.3
213.00096	0.8
213.12683	1.1
213.16412	0.9
217.12212	8.1
226.13528	0.6
231.13762	2.0
241.15860	0.9
245.15442	0.6
245.18967	0.9
246.24529	0.4
255.17403	4.5
257.35791	0.3
273.18457	57.3
274.18835	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1846
Annotation	Przewalskin
Peak:m/z	Relative Intensity
52.97849	0.7
53.00298	0.7
53.03937	1.9
55.05507	6.6
57.07063	1.4
65.03933	0.9
67.05499	6.0
69.07060	9.0
69.13096	0.7
69.34556	0.6
79.05486	5.5
81.07041	8.8
83.08598	2.5
91.05473	11.3
93.07035	8.3
95.04940	2.5
95.08604	6.0
96.07753	0.7
96.26968	0.7
97.10148	2.9
103.05447	1.2
105.04499	0.9
105.07025	6.0
107.08586	7.9
108.05727	1.2
108.71950	0.6
109.06498	2.4
109.10148	7.5
115.05437	1.5
117.06992	2.6
119.04963	1.2
119.08562	2.8
121.06493	27.8
121.10148	2.0
123.04517	0.7
123.08059	22.6
123.11694	17.0
125.05974	1.3
126.38593	0.8
128.06236	1.4
129.07001	1.9
131.08543	2.7
132.05702	0.7
133.10143	1.2
135.08041	11.3
135.11681	7.9
137.05968	9.3
138.06734	1.6
139.07524	1.2
142.07773	1.6
143.08592	3.6
145.06485	1.4
146.07256	0.8
147.08058	2.4
149.05966	14.7
149.09573	4.7
150.06664	0.8
151.07530	87.0
152.07875	1.0
157.10101	2.7
159.08061	2.9
160.08853	1.8
161.05946	2.7
161.09601	2.9
161.13260	0.8
163.07536	10.1
163.11200	1.3
165.09111	8.1
171.08012	2.1
172.08865	0.9
173.05943	1.1
173.09636	2.0
174.06824	0.8
175.07532	12.4
175.11140	3.1
177.09093	11.3
179.10693	1.8
185.09610	4.6
186.10283	1.0
187.07504	1.1
187.11223	1.3
188.08240	3.4
189.09103	13.9
189.12740	2.3
191.10641	13.2
193.12193	1.0
199.11160	4.9
201.12619	0.9
202.09924	2.5
203.10654	12.5
205.12241	2.0
213.12622	2.0
213.16286	1.7
217.12216	14.7
231.13770	3.9
231.17276	1.0
241.15849	1.4
245.15338	1.1
245.18849	0.9
255.17380	6.3
273.18472	100.0
274.18793	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1845
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03921	2.1
55.01853	3.3
55.05516	7.9
56.05387	1.6
56.94734	1.2
57.07061	2.6
65.03929	2.4
67.05491	16.3
69.07063	10.9
69.75928	8.7
71.04982	6.5
71.31171	1.3
74.67250	1.4
77.04411	1.5
79.05476	18.9
81.03358	1.7
81.07044	21.8
83.04952	2.7
83.08589	3.2
85.02896	2.7
85.06523	1.8
86.09669	2.0
91.05466	35.7
93.07031	24.2
95.04957	8.2
95.08595	18.7
98.97527	2.2
105.07026	33.2
107.04920	3.8
107.08586	15.4
109.06526	2.5
109.10130	9.5
110.77871	1.3
111.04379	2.7
113.05960	1.8
115.05418	5.1
116.06206	1.7
117.07004	57.4
117.07836	2.9
119.04916	13.1
119.07785	2.8
119.08566	25.6
121.06490	6.6
121.10112	10.5
123.04403	12.0
123.11685	3.6
128.06204	4.9
129.06976	19.5
130.07756	5.7
131.08549	72.1
133.06470	4.0
133.10121	20.8
135.07985	3.5
135.11688	5.2
139.03856	1.9
139.07478	1.7
141.06964	3.4
142.07771	3.2
143.08546	20.4
145.06494	2.3
145.10106	35.2
147.04402	3.2
147.07988	3.1
147.11710	7.3
147.12648	1.5
149.02304	1.7
149.05936	4.5
149.13272	2.5
151.03885	8.7
151.07539	2.7
153.01807	2.7
153.06950	5.6
155.08519	5.0
157.10095	15.7
159.08066	1.8
159.11681	42.3
160.12384	1.5
161.13193	3.4
163.07542	3.2
165.05528	2.8
165.06953	2.1
167.08553	4.3
169.10071	6.8
171.08018	2.2
171.11653	20.0
173.09631	3.4
173.13254	69.8
175.14816	8.4
177.09203	2.0
181.06447	5.0
181.10097	4.1
183.11681	2.7
185.09601	4.7
185.13293	8.7
187.11110	1.6
189.09053	2.0
191.10696	2.5
195.08047	1.5
195.11694	6.7
197.13135	1.8
198.14119	1.4
199.07559	1.8
199.11212	2.4
199.14772	1.5
203.10628	3.6
203.70233	1.6
205.12088	1.5
208.12428	2.3
209.13229	4.2
211.14836	12.4
213.09074	4.8
213.12708	4.1
213.16359	29.9
217.08521	3.9
217.19398	1.8
227.10693	2.0
227.14345	3.4
227.17906	6.1
231.13681	3.1
237.16391	15.5
241.08563	4.8
243.06635	2.0
255.17409	13.6
273.07513	6.0
273.11151	5.5
273.14948	6.5
273.18454	100.0
273.25565	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	273.221
Annotation	androstenone
Peak:m/z	Relative Intensity
55.05502	7.4
62.81758	3.1
67.05490	12.7
67.71560	2.8
68.99752	3.9
69.07053	9.7
71.04980	10.8
71.52209	3.1
71.52603	4.2
79.05483	12.5
81.07058	31.7
83.04984	2.9
83.08611	4.9
91.05466	10.5
93.07038	25.2
95.04950	13.2
95.08591	26.6
97.06480	3.6
97.10140	3.3
105.07017	39.4
107.04932	11.4
107.08581	26.4
109.06486	9.1
109.10113	15.8
111.08054	17.4
113.09619	7.0
117.07015	6.4
119.04940	29.9
119.08572	49.7
121.02832	4.1
121.10134	17.4
123.04395	23.5
123.11674	12.3
124.89774	3.2
129.06996	3.3
131.08571	16.2
133.10149	17.4
135.11678	11.7
143.08546	15.2
145.10100	31.6
147.04376	7.2
147.11671	13.1
149.02338	5.7
149.13297	8.2
151.03851	6.0
151.07523	4.4
153.01775	3.2
157.10110	12.8
158.53743	3.9
159.11665	57.9
161.13280	13.1
163.14854	4.3
171.11697	7.2
171.92218	3.1
173.13234	19.2
175.14868	5.6
177.12791	8.2
185.13243	12.2
187.14764	6.5
189.16379	4.3
199.14775	14.2
213.16335	10.1
215.07022	4.6
215.17947	63.9
229.19547	9.4
243.06505	5.8
255.21065	56.4
273.07446	8.5
273.11172	8.2
273.18820	8.5
273.22095	100.0
274.22308	3.4
274.27328	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2573
Annotation	Trixagoene
Peak:m/z	Relative Intensity
54.47227	2.5
55.05501	22.7
57.07058	12.1
65.03938	3.3
67.05499	35.0
69.07059	48.2
79.05487	21.1
81.07050	83.9
83.08610	20.2
91.05493	19.6
93.07034	47.3
95.08601	96.9
97.10142	11.5
105.06511	3.2
105.07030	37.0
107.08581	69.9
109.10140	64.3
111.11692	5.2
119.08574	34.0
121.10121	58.4
123.11697	47.6
130.21767	3.0
133.10141	20.6
133.98648	2.9
135.11682	42.0
137.13231	18.3
145.10136	3.3
147.11664	23.5
149.13239	55.9
150.13507	2.6
151.07527	4.1
151.14804	9.3
161.13248	28.2
163.14810	29.7
165.16382	3.8
175.14848	15.8
177.16388	23.4
189.16376	24.4
191.17935	11.3
203.17944	20.3
217.19511	33.5
229.47556	2.9
231.21094	5.1
273.18427	8.3
273.25745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
55.61269	0.9
56.96558	75.4
57.03413	1.4
58.99842	2.5
60.04511	1.0
61.02915	2.5
64.73354	1.0
69.03436	4.7
70.06588	2.0
70.97739	2.1
70.98111	28.2
71.52216	1.0
71.95258	5.4
73.02891	2.9
74.97586	3.3
77.00881	1.2
81.03400	2.3
84.95996	3.2
85.02899	6.5
87.04465	1.1
88.99152	12.0
95.06085	2.0
97.02872	4.2
98.97571	100.0
99.04473	1.2
101.00870	11.4
103.02423	2.0
107.00159	4.3
109.02857	1.1
110.97562	7.3
112.99129	1.2
113.00818	2.7
113.02345	0.9
113.07104	6.3
115.02396	1.9
116.98608	78.2
117.03963	1.8
119.01910	47.2
121.03540	1.4
124.95496	1.1
125.07052	1.7
127.02458	1.6
127.03916	1.8
128.98590	11.1
130.13162	1.0
131.00183	2.1
131.01892	12.9
133.03471	4.9
134.99638	41.4
135.04970	1.5
137.02933	13.1
140.00116	2.1
141.05455	1.2
142.01141	1.1
142.03484	1.3
143.00146	1.3
143.01881	5.2
145.01646	3.0
145.03448	16.9
145.04553	1.9
146.03629	1.0
146.99637	11.9
147.01379	1.9
147.04973	2.1
149.01222	2.0
149.02937	3.0
153.00693	6.7
154.96495	3.2
155.01939	6.0
156.02654	1.8
157.03459	3.5
158.01237	1.7
158.99637	2.7
159.05058	8.0
160.97545	1.7
161.01257	2.2
161.02928	9.1
163.02739	3.0
163.04610	4.7
165.00694	11.7
165.04030	1.5
169.03424	3.1
170.99666	1.1
171.04974	2.5
172.94307	3.3
172.97563	17.7
173.02971	6.9
173.06590	7.9
174.99101	2.8
175.04506	2.8
177.00703	3.6
177.02403	0.9
177.06140	5.1
183.01680	1.8
185.01442	1.4
185.02914	5.2
185.05048	1.5
185.06544	10.3
186.99174	1.2
187.02896	1.4
187.04469	6.4
187.72298	1.1
188.97102	2.5
189.02414	4.5
190.95340	4.9
190.98616	72.0
191.07587	2.5
193.00215	3.3
195.01761	1.3
195.05115	1.2
197.02937	1.9
200.96968	1.1
203.03992	8.8
203.07639	6.9
205.00217	7.0
205.03714	3.0
205.05504	2.2
206.98111	2.1
207.03369	2.5
208.96515	1.4
208.99690	20.0
214.00189	2.9
214.95302	1.5
214.98596	2.3
215.03992	1.8
215.07614	2.6
216.98633	1.2
218.98109	14.4
219.01570	4.9
220.99663	3.0
221.03004	1.9
221.05014	10.0
223.01273	3.6
227.07712	2.2
229.01961	1.5
229.05568	1.7
231.03453	2.9
232.96475	4.4
232.99626	27.3
234.99744	3.1
235.06526	1.6
236.99188	6.5
237.02654	6.2
245.05122	1.4
247.06555	3.3
250.97511	3.7
251.00688	17.8
256.01312	1.7
256.96353	6.4
257.04800	2.9
274.02097	1.2
274.27429	1.1
274.97461	60.6
275.06378	7.1
275.10373	13.0
292.80090	1.1
292.98489	45.3
293.03601	4.1
293.10767	3.9
297.99045	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	275.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28288	0.8
55.01866	1.4
55.05484	1.1
56.67904	0.9
56.96560	98.3
57.03413	2.5
61.02914	1.9
68.09193	0.9
69.03423	5.3
69.64210	5.8
70.06569	1.3
70.98114	39.0
71.95251	4.1
73.02885	3.0
74.97594	2.8
76.89265	1.0
77.00893	1.2
81.03406	1.7
84.08103	1.3
84.95998	3.4
85.02891	6.8
87.04461	1.3
88.99150	20.2
91.05437	2.6
92.57026	0.9
94.64698	1.0
95.04955	1.1
97.02871	4.2
97.99158	0.9
98.97575	59.8
101.00873	8.6
103.02419	3.0
105.00340	1.6
107.00179	5.9
109.02833	1.3
110.97536	3.8
113.00840	1.7
113.07113	1.1
115.02386	2.1
116.98608	52.9
117.04025	2.2
119.01911	47.9
119.04797	1.0
120.01987	1.6
121.02823	1.4
121.03577	1.3
122.06012	1.3
125.07075	2.7
127.02364	2.3
127.03867	1.6
128.98596	9.0
130.93301	1.2
131.00194	1.5
131.01871	9.6
133.03445	4.1
134.99648	35.4
135.05045	2.3
137.02945	16.2
137.05963	2.1
140.00128	2.0
142.03484	1.3
142.96465	1.2
143.01849	5.5
145.03461	15.2
146.99631	18.5
149.01155	1.1
149.02971	2.4
149.06647	1.7
151.04599	1.3
153.00671	4.2
154.96518	3.3
155.01883	4.4
156.02649	2.0
157.03462	2.8
158.01251	2.1
158.99629	2.3
159.05017	8.4
161.01410	1.6
161.02933	13.3
163.02698	1.2
163.04445	3.3
165.00703	21.9
167.03403	1.5
168.79022	1.1
169.03461	2.1
170.01118	1.4
170.99762	1.3
171.01311	1.1
171.05023	1.4
172.04568	1.2
172.94310	2.1
172.97571	22.9
172.99059	0.9
173.02905	6.3
173.06543	4.7
174.99115	3.6
175.00722	1.4
175.04480	1.1
177.00674	2.9
177.06059	4.1
179.03819	1.0
183.01765	3.2
185.02928	6.3
185.06660	4.9
186.06477	1.2
186.99156	1.8
187.04474	9.4
187.08131	1.5
189.02415	5.8
189.99947	1.0
190.95389	4.0
190.98615	100.0
193.00241	6.3
197.02948	2.0
200.97028	2.0
201.00671	1.3
203.03966	9.1
203.07593	4.2
205.00188	8.3
205.03627	1.6
205.05482	3.4
206.98169	1.5
207.03459	3.5
208.96490	1.4
208.99657	29.7
213.02357	3.1
214.00172	4.7
214.98618	3.7
215.04056	2.1
217.05466	3.0
218.98135	20.6
219.01689	2.8
220.99641	1.6
221.03088	1.9
221.05037	14.8
223.01285	5.4
227.07700	1.3
229.05411	2.7
231.03455	4.0
232.96379	3.9
232.99634	44.6
234.99658	2.3
236.99181	9.4
237.02826	5.8
245.04977	1.6
247.06636	6.8
250.97905	1.4
251.00624	24.2
256.01169	3.2
256.96347	5.9
257.04883	3.2
257.08856	1.1
269.01660	2.4
274.02240	1.5
274.97461	45.9
275.02271	2.4
275.05841	4.8
275.10803	24.2
275.13873	2.4
292.98495	29.6
293.03506	3.9
293.06921	1.2
293.10544	1.8
297.99020	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07296	0.8
56.96549	1.3
57.03430	1.0
58.99856	1.8
59.82940	0.8
67.05486	1.4
68.33431	0.8
69.03413	1.0
70.58385	2.5
79.35014	1.0
82.99842	2.6
83.04964	1.2
85.02863	1.1
93.03382	1.0
95.04970	2.3
97.02898	1.2
98.97581	1.3
101.00869	23.2
103.02416	2.9
105.00356	1.2
115.02390	1.7
116.98634	1.4
117.04015	2.0
119.01910	100.0
120.01986	2.2
121.02834	5.4
121.03577	1.1
127.02403	8.3
129.03987	1.1
131.01894	4.4
133.03423	2.5
134.99809	1.3
135.05020	3.3
137.02946	28.0
138.03050	1.0
141.03853	1.0
142.03494	3.0
143.01874	6.1
143.05566	1.4
145.03445	44.0
147.01382	2.0
151.02362	1.3
153.03928	1.3
157.03444	10.3
159.05020	20.9
161.02948	15.3
163.04510	7.5
167.01912	1.8
168.05052	1.8
169.03445	37.8
171.01431	3.7
171.05023	6.5
173.02974	1.1
175.04498	3.1
177.02470	1.8
177.06090	7.6
179.03970	2.2
183.01335	0.9
185.02930	24.1
187.04500	62.9
188.04665	1.1
189.00916	1.5
189.02437	12.0
189.06076	1.1
195.05013	3.3
197.02972	7.6
201.02487	7.5
203.03990	28.7
204.04175	1.2
205.02103	1.8
205.05548	13.7
207.03519	6.8
210.06110	2.2
211.04469	2.6
213.02364	7.7
213.06013	2.7
215.00401	2.4
215.03992	12.0
219.03481	10.0
221.02898	3.8
221.04944	2.0
226.05637	1.2
229.05542	34.8
231.03455	13.8
233.01390	3.5
239.03943	2.1
247.06610	25.9
249.04541	3.6
257.02292	1.3
257.04901	5.6
270.08212	1.1
275.02567	8.6
275.06082	97.7
276.06332	2.4
292.98557	1.2
293.03516	4.6
293.07117	20.7
293.10413	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89508	0.7
56.96556	1.6
58.99847	1.4
62.22918	0.7
65.03923	1.1
67.05496	1.8
69.03425	1.7
70.14001	3.1
77.00882	0.9
77.30700	0.7
82.99873	2.6
83.04945	1.3
93.03404	1.7
95.04961	2.3
97.02876	1.5
98.97590	4.1
101.00866	24.4
102.64333	0.8
103.02454	1.7
105.00346	1.3
109.01357	1.4
111.04430	1.6
115.02414	1.6
116.98614	1.7
117.03971	2.9
119.01909	100.0
120.02012	1.9
121.02868	4.8
127.02383	7.5
128.98601	1.3
129.03969	1.0
131.01909	3.7
133.03447	1.8
134.99698	1.1
135.05072	1.1
137.02948	26.8
141.03969	1.1
142.03448	2.4
143.01884	5.4
144.99782	0.9
145.03452	49.6
147.01411	1.6
149.02927	1.5
151.02382	1.0
153.03966	2.0
157.03430	9.5
159.05008	12.0
161.02948	16.5
161.06526	1.1
163.04477	7.9
167.01834	1.2
168.04997	0.9
169.03450	41.3
171.01378	2.2
171.04997	7.4
173.02940	1.3
175.04500	4.4
177.02409	2.0
177.06111	5.0
179.03995	2.0
180.20502	0.8
185.02936	22.4
185.06557	1.6
187.04504	70.6
189.02412	7.3
189.06061	1.4
193.03336	0.9
193.77753	0.8
195.05067	4.0
197.02948	10.0
201.02415	3.9
203.02432	0.8
203.03999	18.0
205.05556	14.2
207.03583	3.1
210.06053	2.6
211.04517	3.9
213.02425	3.5
213.06023	2.8
215.00540	1.9
215.03984	12.9
219.03517	5.3
221.02957	4.7
221.04979	1.4
229.02176	1.2
229.05573	32.4
230.05736	0.8
231.03513	8.0
233.01431	1.6
239.03949	2.9
242.01935	0.8
247.06638	20.4
249.04578	2.7
256.96579	0.8
257.05045	4.1
275.02795	2.8
275.06088	72.3
276.06305	1.7
293.03595	2.3
293.07092	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	275.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46112	1.1
56.96567	2.4
58.99836	1.4
59.48301	1.2
67.05509	1.2
67.72787	0.9
69.03393	2.0
69.90076	5.2
74.32981	1.0
77.00899	1.2
79.30241	1.0
81.03326	1.0
82.99847	2.0
83.04970	1.8
85.02887	1.9
90.78972	1.0
93.03384	1.2
95.04936	3.0
97.02867	1.8
98.20834	1.5
98.97551	2.1
101.00864	24.4
103.02404	2.3
111.04402	1.5
113.00854	1.5
116.98622	1.6
117.03995	3.4
119.01906	100.0
120.01971	3.8
121.02821	4.4
125.04395	1.1
127.02390	8.4
131.01894	4.5
133.03418	1.4
135.05032	3.3
137.01981	2.0
137.02945	25.6
137.35269	1.1
139.02403	1.3
141.03973	1.3
142.03447	2.2
143.01862	5.6
143.05548	1.5
145.03453	49.6
146.03561	2.5
147.01353	1.7
157.03471	10.2
159.05006	13.3
161.02939	18.7
161.06589	1.8
163.04510	9.0
167.01837	2.4
169.03444	39.3
170.03586	1.1
171.01366	2.3
171.05037	6.6
172.99252	1.1
173.02957	2.7
175.04474	4.2
177.02446	1.5
177.06042	6.0
179.01979	1.1
179.04030	1.8
185.02928	21.1
185.06450	1.5
187.04498	68.1
188.04697	3.7
189.02422	7.1
191.03909	1.4
195.05052	3.4
197.02913	10.2
201.02475	5.2
203.02182	0.9
203.03981	22.0
204.04091	1.2
205.05569	12.7
207.03419	4.0
210.06065	3.1
211.04520	3.0
213.02437	3.9
213.06042	3.2
215.00517	1.1
215.03990	13.9
219.03554	6.6
221.02861	3.5
221.05008	1.9
229.05548	27.0
229.07721	2.0
231.03444	7.3
233.01366	1.3
239.04024	2.5
239.06190	1.4
245.05312	1.2
246.97870	1.1
247.06616	16.6
248.06711	1.5
249.04561	1.8
257.04926	3.4
271.61935	1.2
275.02661	4.0
275.06079	57.3
276.06332	2.4
293.03577	2.8
293.07135	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	275.0911
Annotation	Fomajorin S
Peak:m/z	Relative Intensity
55.01869	8.6
56.74142	1.6
57.03434	1.2
60.01685	1.5
60.85179	1.3
62.99499	1.2
67.05464	1.4
67.55277	1.3
68.99775	3.8
69.03412	2.8
69.66140	9.4
71.01348	1.3
71.04985	6.6
79.05482	2.2
81.03410	2.2
85.02917	1.7
91.05446	6.3
98.21531	2.8
103.05457	5.4
104.06207	1.4
105.07021	3.2
107.04915	2.0
109.02842	2.0
115.05445	26.2
116.06243	3.5
117.05488	1.8
117.06993	5.8
118.04157	3.9
119.04911	3.7
121.02853	1.9
123.04397	2.3
126.39131	1.4
127.05408	2.0
128.06230	7.7
129.03357	5.6
129.07010	11.4
130.07730	3.8
131.04929	8.2
131.08562	3.7
132.05701	8.3
133.06461	3.5
137.05966	2.2
139.05397	2.7
140.06183	5.0
141.06979	51.8
143.04900	12.4
144.05698	10.9
145.06476	13.6
146.03610	11.0
147.04393	5.5
147.08008	2.0
149.05956	1.8
152.06161	2.9
153.06984	3.0
155.04898	8.2
155.06006	2.7
155.08519	2.8
156.05670	2.1
157.02850	13.2
157.06465	14.2
158.03654	1.5
158.07277	13.1
159.04391	4.5
159.08022	10.5
160.05188	12.8
161.05986	18.6
162.03087	4.9
163.03894	2.1
165.05559	1.9
165.06908	3.6
167.03336	3.4
168.05696	12.2
169.06468	46.0
169.07837	2.8
170.03607	1.9
170.07214	2.1
171.04398	21.3
171.07973	2.3
172.05211	9.1
173.05966	14.6
173.09593	2.1
174.03110	3.8
175.03993	2.2
175.07530	10.3
176.04674	3.2
177.05426	6.9
179.03339	1.6
179.07108	2.6
181.06390	2.3
183.04384	3.2
183.08075	7.9
184.05156	3.3
185.05971	14.3
186.06741	24.7
187.03937	1.9
187.07535	20.3
188.04680	8.4
189.05444	28.5
190.06216	5.5
191.03363	7.1
191.07007	23.4
196.05141	10.5
197.05960	50.3
198.06700	3.9
199.03932	10.0
199.07507	1.9
200.04659	14.9
201.05409	8.4
201.09062	14.9
203.03313	3.2
203.06973	15.9
204.07852	8.3
205.08574	6.2
210.15849	1.5
211.07552	11.4
213.05383	7.2
214.02895	1.5
214.06187	15.4
215.03702	1.9
215.07005	47.3
216.04144	3.1
217.04880	8.6
218.05730	1.8
225.05452	4.2
226.06210	4.5
229.05045	8.9
229.08549	30.9
230.05762	3.4
231.06494	23.9
232.07256	6.8
233.04440	2.6
239.06996	4.4
242.05721	11.4
243.06497	33.7
244.07225	2.1
245.04427	15.0
247.06000	1.5
247.09622	29.8
257.04379	3.3
257.08051	25.0
260.06763	51.8
260.09525	2.6
275.05484	4.9
275.09094	100.0
276.09494	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84373	0.2
54.04483	0.2
55.05500	0.8
65.03925	1.2
67.05499	0.9
69.03405	0.3
69.07057	0.5
71.52682	0.3
79.05495	0.6
81.03426	0.3
81.07056	1.5
83.04964	1.7
85.02889	0.4
91.05473	13.7
93.07035	0.8
95.04978	0.5
95.08589	1.4
105.07034	0.7
107.04957	2.4
107.08580	0.6
109.10131	0.6
111.04434	2.2
117.07029	0.5
119.04928	29.6
119.08591	0.8
120.05264	0.4
121.06488	0.3
121.10151	0.5
122.64483	0.2
123.11678	0.6
128.06244	0.2
129.05515	0.3
131.04915	0.3
131.08559	0.3
133.10124	0.6
135.11676	0.7
143.08572	0.2
145.06477	0.3
145.10139	0.4
147.04395	100.0
147.11649	0.5
148.04759	1.3
149.13246	0.3
151.03902	0.2
155.08467	0.2
157.06480	0.5
159.11626	0.4
161.06052	0.3
169.06482	0.3
173.01556	0.2
173.06000	0.4
175.07529	0.2
175.14804	0.2
187.07561	0.3
187.15036	0.2
189.05376	0.3
201.05461	1.8
210.56363	0.2
215.17862	0.2
217.04994	0.9
221.20711	0.2
257.19104	0.3
275.09033	1.1
275.17368	0.2
275.20087	1.4
275.23718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.091
Annotation	Phloretin
Peak:m/z	Relative Intensity
53.03939	0.7
54.61864	0.2
55.01866	0.3
57.82506	0.2
66.75369	0.2
67.01868	0.4
67.05487	0.3
68.10799	0.2
68.96438	0.2
70.52763	0.8
71.36954	0.2
73.13860	0.2
79.05489	1.4
81.03421	0.4
81.07035	0.5
81.11092	0.2
85.02900	0.5
91.05482	0.6
93.07014	0.4
95.04948	0.8
95.08602	0.5
97.06471	0.2
98.21465	0.2
105.04503	0.3
105.07039	0.6
107.04945	100.0
108.05267	1.0
109.10096	0.2
110.12815	0.2
112.97238	0.2
119.08630	0.4
121.06496	0.6
121.10108	0.5
123.04457	0.5
127.03950	1.2
133.10120	0.2
135.26775	0.2
139.29712	0.2
149.05951	0.8
151.03886	1.5
151.07489	0.4
153.05583	0.3
155.02017	0.3
155.08463	0.3
169.04947	11.3
192.78362	0.2
275.09058	1.6
275.20163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03933	1.8
53.63345	0.7
55.01858	2.1
55.05506	8.3
57.07052	1.3
65.03931	0.9
67.05499	25.5
68.26328	0.7
69.07061	9.7
70.65380	1.6
70.65714	0.9
71.04993	5.1
73.19920	0.7
79.05006	1.2
79.05479	27.6
81.07047	36.3
83.08613	4.7
85.06493	1.1
88.07603	1.1
91.05467	36.7
93.07032	42.4
95.04952	3.0
95.08598	25.9
97.06541	1.0
97.10144	2.3
103.05471	0.8
105.07019	41.6
107.04945	1.2
107.08579	27.2
109.06473	2.1
109.10144	17.5
111.04427	1.2
114.60452	0.7
115.05423	0.9
117.07001	7.4
119.08566	42.0
121.06494	5.9
121.10117	19.6
123.08090	1.9
123.11692	8.1
129.06963	2.6
131.08554	16.8
133.06482	1.6
133.10115	34.5
135.08032	5.1
135.11671	35.2
137.09572	1.4
137.13319	0.8
137.46480	0.8
139.07532	2.4
141.06963	2.2
143.08530	2.8
145.10100	15.7
145.11159	1.5
147.04399	4.1
147.07999	2.4
147.11676	34.8
149.09627	3.8
149.13260	7.9
151.07455	0.9
153.09061	3.4
155.08585	1.5
157.10112	4.0
159.11665	15.0
161.09581	3.8
161.13237	37.5
163.11176	2.7
165.09100	1.5
167.10609	3.3
169.10127	2.9
171.11699	2.2
173.09604	1.4
173.13234	9.7
175.11157	3.1
175.14813	17.3
179.10612	4.2
181.12242	1.4
183.11638	3.5
185.13292	2.3
187.11203	2.8
187.14757	3.8
189.12659	1.9
191.10660	1.8
193.10715	1.0
193.12209	5.9
197.13266	2.6
201.12726	3.1
205.12222	2.3
207.13765	2.3
211.14807	2.4
213.16405	5.8
215.14368	2.8
215.17929	31.6
219.13789	2.8
229.15855	3.1
229.19553	1.8
233.15363	2.6
239.17899	12.8
247.17007	1.0
257.18964	17.0
258.19351	1.0
275.20029	100.0
275.27591	3.6
276.20364	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.97140	0.9
55.01847	3.0
55.05507	11.0
57.07050	2.6
58.68293	1.1
65.03940	1.7
67.05499	26.8
69.07055	10.4
70.31760	4.8
70.77254	1.1
71.04966	3.1
75.58939	1.1
79.01060	1.0
79.05486	28.0
81.07047	31.5
83.04942	1.7
83.08608	5.9
85.06541	1.9
91.05473	55.9
93.07036	31.5
95.04943	3.1
95.08588	20.2
97.06506	3.5
97.10152	2.6
98.20709	1.1
98.93172	1.1
103.05428	1.8
105.07021	59.1
107.04984	2.6
107.08578	16.8
109.06506	2.7
109.10123	9.7
111.04435	1.5
117.06998	19.1
119.04929	1.1
119.08569	39.9
121.06502	6.9
121.10130	13.9
123.04384	1.4
123.08022	2.2
123.11674	4.7
129.06990	4.7
131.08554	29.5
131.57111	1.2
133.10120	36.6
135.08023	4.9
135.11687	10.7
137.09605	2.6
139.07530	2.6
141.06960	2.2
143.08563	4.6
145.10106	30.9
147.04402	7.0
147.08003	2.1
147.11665	19.6
149.09634	3.9
149.13274	2.1
155.08531	3.5
157.10133	5.4
159.07967	1.9
159.11674	15.9
161.09578	1.5
161.13219	12.5
163.07524	1.4
163.11131	2.0
163.14783	1.4
169.10078	5.6
171.11623	1.7
173.09612	3.7
173.13237	9.3
175.11227	1.8
175.14799	17.3
177.16351	1.4
180.55437	1.1
181.12244	1.7
183.11720	2.5
185.13213	1.3
187.11145	5.2
187.14757	4.1
189.12788	1.7
191.10612	2.6
193.12199	2.5
197.13229	2.4
201.12639	2.6
205.12279	3.3
207.38760	1.1
211.14853	1.5
213.16397	4.7
215.14510	1.6
215.17903	23.7
217.08075	1.2
219.13809	3.2
229.15843	2.6
229.19498	3.5
233.15358	2.0
239.17969	7.8
242.15857	1.1
257.19028	13.2
275.20038	100.0
276.20496	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	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03931	1.5
55.05503	8.5
57.07064	2.2
63.01447	0.9
65.03918	1.6
67.05499	26.9
69.07069	10.5
71.04996	4.9
71.41938	1.5
77.03891	1.2
79.05485	29.5
81.07052	39.9
83.04981	1.2
83.08609	5.1
83.41123	0.9
85.02872	1.3
85.06535	1.3
91.05473	34.2
93.07037	44.2
95.04948	2.8
95.07992	1.7
95.08596	27.8
105.07022	41.6
107.07872	1.5
107.08583	28.0
109.06557	1.3
109.10150	12.7
111.04369	1.3
117.06993	6.8
119.08573	45.1
119.97527	0.9
121.06541	5.3
121.09316	1.5
121.10133	19.9
123.11697	8.3
129.07022	3.3
131.08563	15.7
133.06520	1.2
133.10123	36.6
135.08067	4.3
135.11679	36.4
135.12717	1.9
137.09595	1.8
139.07555	2.3
141.06990	1.8
143.08546	3.3
145.10104	16.8
147.04315	1.2
147.08014	2.2
147.11674	28.6
149.09593	3.9
149.13251	11.6
153.09106	3.0
155.08566	1.5
157.10094	4.4
159.11682	14.1
161.09644	2.6
161.13246	40.4
162.13591	1.3
163.11165	1.8
163.14691	1.1
165.09145	2.5
167.10686	2.2
169.10109	3.6
171.11734	2.8
171.28543	1.0
173.09579	0.9
173.13254	10.2
175.11192	3.7
175.14792	17.8
179.10632	2.8
181.12282	1.3
183.11676	3.6
185.13164	1.9
187.11136	2.2
187.14764	3.6
189.12811	1.3
193.12247	6.6
197.13260	2.8
201.12721	2.6
205.12247	2.3
207.13815	1.9
211.14792	2.0
213.16389	5.6
215.14449	2.1
215.17928	27.2
219.13789	4.2
229.15837	4.4
229.19373	1.7
233.15384	3.7
239.17943	13.2
257.18985	17.5
269.94019	1.0
275.20041	100.0
275.27682	11.2
276.20313	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03925	3.1
55.01626	1.2
55.01869	16.4
55.05275	1.0
55.05506	16.8
56.47014	1.1
57.03413	1.3
57.07062	1.3
65.03938	2.2
67.05499	24.5
67.91730	1.1
69.07059	17.2
70.19406	3.9
71.04967	2.2
71.68042	0.9
73.06550	1.4
73.17261	1.1
76.76908	0.9
79.05488	27.5
81.03426	1.3
81.07049	43.7
82.07362	1.2
83.04957	3.7
83.08618	7.8
85.06527	1.9
91.05473	62.0
93.06481	1.6
93.07035	24.6
95.01312	1.5
95.04949	6.3
95.08051	1.7
95.08601	18.9
97.06525	21.5
97.10151	3.3
98.20724	1.1
103.05427	1.9
105.07022	100.0
106.07346	1.5
107.04955	7.7
107.08591	14.3
109.06502	4.7
109.10125	7.1
111.08060	1.3
115.05424	1.6
117.07005	13.8
118.07740	1.3
119.08569	49.3
121.06494	2.1
121.10138	7.6
122.66666	1.2
123.08051	2.9
123.11650	1.5
125.09594	2.2
129.07019	2.2
131.08562	21.1
133.06438	1.6
133.10118	67.3
134.10428	1.1
135.08018	2.4
135.11673	5.9
137.09578	2.6
139.07465	1.3
143.08562	3.5
145.10104	16.0
147.07948	1.3
147.11679	24.7
149.09621	5.1
149.13260	2.5
151.11133	2.7
155.08591	2.0
157.10132	2.8
159.11684	9.2
160.30963	1.1
161.09673	1.1
161.13245	3.4
163.11140	3.8
165.09120	3.2
171.11725	3.0
173.13252	4.0
177.12721	2.9
179.14214	1.8
183.11703	3.1
185.13104	1.3
187.11182	1.8
193.60568	1.0
197.13171	1.4
219.13728	1.7
222.06152	1.1
229.19411	2.6
239.17960	3.0
247.16893	1.5
247.20561	2.6
257.19064	7.7
275.04895	1.6
275.20029	97.9
275.27542	5.1
276.20355	3.4
293.85968	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03930	2.5
55.01849	3.8
55.05509	26.1
57.03424	1.7
59.04993	2.0
67.05499	35.6
69.03407	2.4
69.07066	8.4
70.21474	1.7
70.77961	6.0
71.04980	1.8
79.05062	3.0
79.05489	44.1
81.07046	20.1
83.04946	2.8
83.08603	6.6
85.06499	2.2
91.05479	38.1
93.07027	24.6
95.04943	6.7
95.08597	11.3
97.06518	5.2
97.10146	7.1
105.07025	47.1
107.04946	22.0
107.08582	31.7
109.06509	2.2
109.10143	13.1
117.07008	13.3
119.07779	3.1
119.08566	32.0
121.06483	4.8
121.10129	12.1
123.11687	4.3
125.09615	4.1
129.07019	3.0
131.08565	17.2
133.10129	34.4
134.10341	1.9
135.08018	6.1
135.11661	5.9
145.10110	16.6
147.11676	22.2
149.08406	2.3
149.09598	46.8
151.11177	2.2
153.09065	2.4
159.11746	10.4
161.13235	5.7
163.11133	3.9
169.10115	2.9
169.12248	3.8
173.11777	5.4
173.13254	5.2
177.09346	1.7
183.11766	3.4
197.13196	2.5
203.63516	1.7
205.12093	1.7
215.17909	3.0
229.19492	7.0
239.17995	2.2
247.20630	1.8
257.19049	15.9
275.04883	2.4
275.20047	100.0
275.27811	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	277.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00657	4.3
56.96333	5.6
56.96563	64.6
57.03429	10.7
61.02910	11.1
69.03414	20.7
70.06660	18.7
70.98108	15.0
73.02912	7.4
77.36523	7.5
81.03410	7.6
84.96021	11.8
85.02892	23.8
88.99152	7.2
97.02881	19.2
98.97575	100.0
101.00856	20.2
110.97521	25.6
112.99165	6.4
115.02384	6.6
116.98624	45.4
119.01900	49.1
121.01649	6.8
127.03873	7.1
128.98599	31.1
131.00134	10.1
131.01881	10.0
133.03447	9.3
134.99608	8.1
137.02983	6.6
143.01889	11.3
145.03473	9.7
146.99646	17.0
147.03067	5.5
147.04994	10.9
149.01186	7.3
157.03470	8.4
158.99673	8.6
159.04944	4.8
161.01372	7.5
161.02925	45.4
165.00732	11.3
170.61302	4.8
173.01353	4.9
173.02933	11.5
173.62617	5.2
175.02962	6.0
175.04509	14.6
176.08150	30.5
177.00676	13.0
185.02884	7.3
186.62508	5.4
189.00691	5.9
191.04007	9.8
219.01746	14.3
237.02800	41.1
245.05013	12.2
259.06702	12.0
277.03082	12.5
277.07510	16.5
295.06683	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	277.216
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03927	4.8
55.01849	3.7
55.05509	19.0
56.96548	1.6
57.03421	1.8
57.07074	7.9
59.28089	1.3
65.03934	1.6
65.60456	1.2
67.05501	43.2
69.07066	15.2
71.04987	4.4
71.08623	21.1
71.52282	1.3
79.05489	49.2
81.03406	5.2
81.06596	2.9
81.07052	43.2
83.04958	3.8
83.08607	9.7
85.06545	2.5
89.96654	1.5
91.05479	31.5
93.07037	75.2
95.04963	12.8
95.08597	26.8
97.06517	4.6
97.10144	2.5
98.97569	4.3
99.08092	16.7
103.05451	1.6
105.04513	1.8
105.07029	28.7
107.04943	4.6
107.08592	37.4
109.06496	4.2
109.10143	16.1
111.08087	2.2
116.98624	3.8
117.06990	6.7
119.08578	15.3
121.06498	3.2
121.10143	20.5
123.08063	4.0
123.11670	3.3
125.09605	2.5
129.07005	4.1
131.08534	5.4
133.10143	12.2
134.99637	5.4
135.08044	2.8
135.11684	26.3
137.09596	2.8
137.13274	1.6
141.12732	5.1
143.08542	4.9
145.10080	11.1
147.08066	2.6
147.11679	13.0
149.02255	2.5
149.09628	2.9
149.13257	15.1
151.11211	8.7
157.10130	2.1
158.01367	1.4
159.11662	4.0
161.09641	2.5
161.13257	9.5
163.11218	12.8
163.14844	6.5
165.12781	3.1
167.10716	1.6
169.12187	2.9
171.11697	5.0
173.13222	2.7
175.11227	2.3
175.14796	5.0
179.10733	2.0
179.14261	3.7
185.13240	3.9
189.12729	3.3
193.12170	2.1
203.14334	1.7
207.13788	3.4
217.19427	2.3
221.15341	4.5
221.86455	1.6
231.21027	1.5
235.16927	10.5
241.19456	7.4
241.69829	1.4
247.06004	2.7
259.20627	12.2
277.10962	2.0
277.18216	6.2
277.21606	100.0
278.21869	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
50.07111	1.2
53.03931	6.2
55.05503	17.8
57.07064	2.1
65.03907	1.5
67.05499	36.5
69.07058	16.1
69.79681	3.0
69.80090	5.1
71.04976	1.6
79.05482	77.2
81.06583	2.4
81.07045	36.9
83.08614	7.4
85.06492	1.7
91.05467	27.8
91.30727	1.3
93.07031	100.0
95.04958	6.0
95.08596	26.1
97.06518	1.6
97.10129	5.5
98.21580	2.2
105.04510	2.9
105.07026	14.6
107.08580	56.2
109.06506	2.1
109.09438	2.2
109.10127	15.2
109.51832	1.2
117.06980	3.7
119.08565	10.5
121.10127	41.9
123.11691	4.7
131.08553	5.6
133.10110	8.8
135.11674	60.9
145.10124	4.3
147.11652	8.1
149.09599	2.1
149.12061	1.9
149.13246	27.4
159.11713	2.9
161.13225	3.9
163.14822	6.2
171.11627	2.7
173.13229	2.1
175.14870	2.4
185.13200	2.4
195.13908	1.5
199.14793	1.7
207.13850	1.9
213.16348	1.8
221.15381	2.8
235.16881	3.0
259.20618	3.3
277.21588	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	Stearidonate
Peak:m/z	Relative Intensity
52.59481	2.1
53.03941	5.3
55.01850	2.9
55.05510	19.1
57.03427	9.0
57.07079	15.1
59.11760	2.2
65.76693	2.1
67.05503	45.0
69.07065	18.0
70.05648	12.9
71.05014	2.7
71.08629	15.1
72.26293	2.4
79.05064	4.1
79.05490	61.7
81.03407	3.7
81.07053	55.9
82.93291	2.0
83.04971	4.0
83.08623	11.0
85.06519	3.6
91.05474	26.2
93.07039	100.0
95.04976	10.9
95.08598	41.2
97.06493	6.6
97.10153	2.6
99.08088	10.9
105.07019	24.2
107.08588	59.9
109.06509	6.4
109.10126	13.2
117.07017	3.8
119.08580	16.8
121.06445	3.1
121.10140	49.4
123.08101	3.3
123.11691	2.8
131.08551	7.5
133.10152	13.6
135.11691	59.5
137.09604	4.5
145.10104	7.3
147.11668	8.6
148.24486	2.2
149.13258	17.5
151.11198	4.8
157.10223	3.2
161.13237	8.9
163.14836	6.2
171.11629	3.0
177.12737	4.2
179.10590	5.2
179.14275	22.9
181.12148	3.0
185.13228	3.1
187.14810	5.6
195.13716	2.7
199.14731	3.1
221.15350	4.2
235.16904	26.8
241.19350	4.0
247.05952	3.1
259.20563	6.7
275.66650	2.4
277.10773	5.6
277.17999	24.4
277.21603	85.1
278.21851	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	277.216
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03935	5.2
55.05507	18.1
57.07059	4.3
65.03918	1.9
67.05499	31.6
69.07068	15.4
69.25365	10.6
71.04979	2.3
77.03924	1.6
77.17121	1.0
79.05489	78.7
81.07054	36.6
83.04942	1.8
83.08608	8.4
85.06535	1.8
91.05480	28.0
93.07035	100.0
95.04951	7.3
95.08596	25.3
97.10159	3.4
105.07023	15.0
107.08585	48.8
109.06519	2.6
109.10146	12.1
109.22768	1.1
117.06979	3.1
119.08575	12.9
120.97820	1.1
121.10133	44.6
123.08137	1.2
123.11682	4.3
125.37032	1.0
129.06981	1.9
131.08537	4.4
133.10124	13.6
135.08096	1.4
135.11681	48.7
137.13255	1.5
143.08530	2.3
145.10103	4.5
147.11679	7.2
149.09589	1.6
149.13249	21.7
151.11140	1.2
157.10175	2.3
159.11626	3.2
161.13211	5.1
163.14822	5.0
171.11678	2.8
173.13251	3.3
175.11101	1.2
175.14745	2.9
177.16298	1.0
177.92528	1.2
181.12241	1.4
185.13307	2.3
189.12737	1.3
193.12169	1.6
194.84827	1.0
195.13771	1.9
199.14839	1.7
207.13826	2.1
217.19475	2.3
221.15384	3.8
235.16835	2.8
259.18298	1.1
259.20407	5.2
261.87018	1.1
269.68359	1.2
277.21609	63.4
278.22046	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	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03931	6.2
55.01844	4.6
55.05505	20.4
57.03437	7.5
57.07071	7.8
65.03936	2.0
66.92430	1.4
67.05497	40.6
69.07059	18.9
71.04955	3.5
79.05482	69.2
81.06675	1.9
81.07044	49.7
83.04950	3.0
83.08614	12.7
85.06515	3.7
91.05471	28.0
93.07034	100.0
95.04953	6.8
95.08595	40.1
97.06501	4.2
97.10139	4.0
105.07021	24.0
107.04941	1.7
107.08580	62.1
107.89933	1.6
109.06493	5.9
109.10152	11.5
111.08060	2.8
117.06998	5.5
119.08559	16.5
121.10132	52.3
123.08047	5.4
123.11674	5.1
125.09634	2.0
129.06938	3.1
131.08531	8.9
133.10098	15.6
135.08052	1.6
135.11674	50.9
137.05956	3.6
137.09599	4.3
145.10072	7.9
147.11644	9.5
149.02274	2.2
149.12175	2.7
149.13248	26.1
151.11183	3.7
157.10063	1.8
159.11700	6.6
161.09668	2.5
161.13239	6.6
163.14781	5.4
165.05524	1.6
165.12787	1.5
171.11700	5.3
172.61909	1.5
173.13229	3.6
175.14844	2.5
185.13351	3.1
187.14905	7.4
199.14780	3.3
205.15823	5.1
207.13724	2.7
213.16481	1.7
221.11716	6.7
221.15349	4.0
221.18860	2.3
229.16292	1.5
235.16994	8.2
241.19478	4.3
247.05981	3.7
249.84964	1.8
259.20438	8.7
277.10638	2.8
277.18088	9.7
277.21597	93.1
280.28903	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53046	3.6
52.14340	3.0
56.96558	15.4
57.07059	4.2
69.65194	16.8
69.65609	7.9
81.03410	3.3
84.95991	3.6
85.02885	7.7
85.10075	3.2
97.02865	4.2
98.97571	90.2
101.00871	3.2
110.97575	15.2
116.98608	55.4
119.01894	9.6
121.01708	3.4
127.03903	3.7
128.98587	24.3
131.00194	4.0
134.99638	30.4
140.00157	3.8
143.00223	4.8
146.99652	18.5
149.02312	23.1
158.99631	44.5
161.01164	4.3
161.03021	4.1
165.00752	3.5
170.99612	13.6
177.00706	100.0
183.26442	3.2
189.00703	41.2
195.01709	9.0
198.02113	4.6
200.02324	4.8
207.01735	28.3
219.01743	11.9
237.02812	38.0
239.06189	4.4
255.03856	37.2
275.05896	4.5
279.04248	21.6
297.04895	17.1
302.64539	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	279.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39516	0.8
55.01856	1.1
55.05497	1.8
56.96555	27.4
57.03437	4.6
57.07071	4.7
59.04989	1.1
60.95834	1.8
61.02914	5.7
65.03926	1.1
67.05488	2.5
69.03423	9.0
69.07050	0.8
70.01786	4.3
70.06575	2.5
70.98122	0.9
71.04974	2.2
71.95245	1.8
73.02898	5.3
74.97624	1.4
80.84427	0.8
81.03397	3.2
81.07052	2.0
84.96019	2.4
85.02892	16.2
86.03259	1.2
86.09686	1.5
87.04440	2.5
91.03923	1.3
93.70829	0.8
94.06526	0.8
95.08585	1.6
97.02303	1.0
97.02874	9.8
98.21519	0.9
98.97567	100.0
99.04426	1.4
101.00841	1.6
101.02389	1.0
102.83128	0.8
102.96918	1.6
109.02842	4.3
110.97559	16.3
112.99090	2.0
115.00687	1.2
115.02383	1.9
116.07080	2.2
116.98604	73.9
117.05479	1.3
117.52238	0.8
119.01906	6.2
119.04879	1.1
120.97878	1.2
121.01625	1.6
121.02835	2.1
124.99078	0.9
127.03905	4.7
128.98582	27.8
129.04008	0.8
131.00125	2.8
131.01880	2.7
133.01669	2.6
133.03439	3.8
134.05936	1.4
134.99641	46.3
135.03195	0.9
136.07559	1.0
137.05937	2.2
138.07034	1.0
138.77425	0.8
138.98912	0.9
140.00166	2.2
140.98471	0.8
143.00165	4.0
143.01863	1.0
144.98055	0.9
145.01709	1.7
145.03444	2.5
145.04950	2.0
146.98482	1.8
146.99629	23.1
147.03130	1.6
147.04211	0.9
149.01212	2.5
149.02299	31.0
150.99031	0.7
152.07018	2.1
153.00705	7.5
153.05759	2.9
158.01202	2.4
158.99626	28.8
159.03220	3.7
160.03845	1.1
160.06520	1.1
161.01161	6.8
161.02937	2.6
161.04556	3.7
161.06566	2.4
162.06351	1.8
162.56310	1.3
163.02670	2.8
163.03894	1.8
163.06252	1.1
165.00690	3.7
166.05396	1.0
168.03639	1.0
168.55177	1.0
169.04427	3.1
170.05147	17.4
170.99638	10.9
171.04990	2.1
173.01172	1.7
173.02864	1.2
175.02705	1.4
175.04437	0.9
177.00691	75.2
177.04115	5.3
179.02171	1.6
179.07695	1.2
181.55919	1.4
182.03342	1.1
184.04762	1.2
185.02888	0.9
187.04356	0.8
189.00682	32.1
189.04118	1.8
189.05896	1.2
189.96432	0.8
191.02202	1.9
191.03940	1.1
194.97893	1.4
195.01744	10.0
195.05232	2.3
197.02911	1.3
199.08087	1.0
200.02328	4.2
201.00743	3.7
201.02431	1.3
202.03735	1.3
203.03928	1.3
203.07626	2.2
203.09395	0.8
207.01735	21.4
207.05000	2.0
212.02252	2.0
215.04128	0.8
215.07567	1.7
219.01724	12.0
219.05011	4.1
220.04753	2.6
221.04941	1.8
223.04741	1.0
225.02812	1.5
230.03256	3.9
231.05101	1.4
235.06415	1.3
236.99057	1.1
237.02769	23.9
237.06329	1.1
238.05681	1.1
246.07329	1.2
248.04390	2.3
249.02979	1.1
249.06071	5.3
251.02333	1.6
255.03838	24.0
256.03018	1.4
260.04495	1.3
261.08472	1.5
264.08432	3.7
270.06638	1.1
273.05005	1.3
275.09738	1.0
278.96887	1.4
279.00790	1.6
279.03729	11.2
279.10382	3.6
279.13373	1.0
288.05157	1.2
288.55063	0.9
296.97931	1.4
297.04810	9.6
297.07611	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89065	2.1
56.96296	4.1
56.96559	49.2
56.96836	1.7
57.07058	7.6
66.00510	2.0
69.47615	9.3
69.48035	8.5
71.95244	3.5
81.07037	4.6
84.96016	2.4
88.51598	2.4
90.79257	2.3
91.05822	3.4
93.03374	2.5
95.08603	2.3
98.97573	95.8
100.02509	3.4
101.00880	3.5
103.05457	3.8
110.97546	9.4
116.98609	93.7
118.03513	2.2
118.97195	2.2
119.01889	23.4
121.01655	5.6
121.02854	5.4
128.98596	19.9
131.01878	4.1
131.04915	6.9
134.99648	75.3
137.02948	15.6
137.50012	3.6
138.00069	2.7
138.49852	3.9
138.98959	2.8
139.02678	6.8
140.00212	5.3
142.03510	8.5
143.00166	4.0
144.03242	2.8
146.99626	24.6
149.02321	60.7
149.50792	2.4
150.00691	4.0
153.00710	20.2
153.03983	4.0
155.99637	3.3
158.01260	3.5
158.99632	19.8
160.04544	3.1
161.01227	6.8
163.02705	3.2
165.00690	6.1
167.03358	2.6
169.03421	2.8
170.99683	8.1
171.04941	5.9
174.00735	6.4
174.97647	7.7
177.00775	83.0
178.01022	4.2
187.04507	3.0
189.00719	26.8
192.98688	11.1
193.98808	5.0
194.06558	4.6
195.01793	7.4
197.02972	6.6
200.02386	6.0
203.02466	3.0
207.01799	14.0
207.04953	21.5
212.92279	10.1
214.95535	3.6
215.03951	6.3
215.95590	2.4
216.98659	20.0
217.76433	2.5
218.03543	2.9
219.01924	20.4
220.04578	5.5
221.01747	3.6
221.06563	3.2
225.06084	9.9
226.06758	3.2
230.03291	3.4
230.93265	22.5
231.05013	21.0
231.93291	14.2
232.92957	6.0
232.96623	4.7
233.03471	3.2
234.94489	4.0
234.99734	63.9
235.99895	7.3
237.02737	19.4
237.06087	2.9
238.05692	6.6
238.95587	6.3
243.95036	6.9
244.95161	4.9
245.45175	3.3
245.94879	4.0
246.07364	16.6
246.45262	6.6
248.94286	15.2
249.06047	83.3
249.94456	5.1
250.06277	5.2
250.94333	2.8
251.93863	5.6
254.93175	4.0
255.03873	18.0
255.46057	4.0
255.93289	3.4
256.06686	6.0
256.96597	100.0
258.01212	3.5
258.96533	3.6
259.27603	3.1
260.28082	7.5
260.94611	3.2
261.09711	11.1
264.08392	56.9
265.08810	3.8
265.95056	7.0
266.28378	4.6
266.61694	7.6
267.62170	3.0
267.95364	3.3
271.92877	3.0
272.94360	63.8
273.94403	47.1
274.94199	24.3
274.97665	52.8
275.00781	3.4
275.04453	13.5
277.00949	5.2
278.97079	3.2
279.00565	5.6
279.03934	10.7
279.07666	5.2
279.10767	81.9
279.98190	54.3
280.11160	4.7
285.42712	5.9
287.10001	3.9
288.05176	2.8
288.92264	4.0
290.95425	42.1
291.95514	37.3
292.95145	15.9
295.43530	2.9
296.95847	3.7
297.04843	9.4
297.08514	7.0
297.96008	3.2
297.99335	8.7
302.12424	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	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.04567	0.9
55.05502	7.8
57.07056	3.0
65.03925	1.9
65.21089	0.9
67.05501	100.0
67.94176	0.8
69.07055	8.3
69.76021	0.9
70.83911	2.8
71.24314	0.9
79.05486	9.4
81.07051	94.1
83.08618	5.3
91.05454	2.3
93.07038	6.5
95.08601	72.2
96.08904	1.4
97.06529	1.1
97.10149	2.8
100.44774	1.0
105.07007	2.6
107.08571	6.9
109.10149	50.3
117.06952	1.4
119.08520	2.4
121.10145	5.2
123.08068	1.3
123.11698	31.1
127.07513	1.0
131.08554	2.5
133.10149	1.8
135.11679	3.6
137.09645	1.0
137.13254	10.0
145.10088	1.4
147.11632	2.7
149.02338	8.3
149.13234	1.7
151.11113	1.1
151.14793	3.0
159.11688	2.6
161.13268	2.3
163.14859	1.7
163.90475	1.0
173.13272	3.3
187.14766	2.8
191.14354	1.1
195.13791	3.2
209.15344	2.3
213.54158	1.0
223.16914	2.5
237.18452	2.2
261.22113	3.6
279.23187	38.2
280.23541	2.8
281.57242	1.3
285.62024	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03942	1.4
54.68058	0.5
55.05505	10.2
55.93661	0.5
57.03440	0.8
57.07064	4.9
65.03919	2.8
67.05497	97.6
68.05842	1.2
69.07059	8.5
69.37779	0.6
69.81026	2.8
70.07413	0.5
71.04987	1.2
79.05482	12.8
81.07048	100.0
82.07404	1.0
82.27707	0.5
83.04979	1.4
83.08616	4.9
85.06554	1.1
91.05460	4.4
93.07029	13.8
95.04952	1.2
95.08596	83.4
96.08918	0.7
97.06527	1.4
97.10147	3.5
105.06999	3.8
107.08571	7.8
109.06500	1.7
109.10146	46.7
111.08070	1.0
111.11732	1.0
113.06036	0.7
117.07040	1.6
119.08565	3.3
121.06465	1.0
121.10131	7.8
122.36810	0.6
123.08057	1.5
123.11696	23.1
125.09589	1.1
127.07583	0.9
131.08539	4.1
133.10120	2.8
135.11688	5.2
137.09564	1.2
137.13228	9.7
145.10094	3.1
147.11670	2.5
149.02325	18.0
149.09605	1.5
149.13231	3.2
151.11182	1.1
151.14815	3.2
159.11705	2.4
161.13271	2.3
163.11186	1.2
163.14795	1.9
164.29391	0.6
165.12790	1.1
165.16391	1.1
167.10675	1.0
173.13228	3.9
177.12808	0.9
177.16364	0.7
179.14330	1.2
181.12201	2.4
187.14792	3.2
191.14301	1.4
195.13800	2.1
201.16348	0.9
205.15839	1.3
206.81010	0.6
209.15392	3.5
219.05786	0.6
222.51186	0.6
223.16870	2.7
237.18423	1.1
243.20897	2.8
261.22104	4.1
279.09259	1.7
279.19653	3.6
279.23132	34.9
280.23581	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03947	0.9
53.86747	0.4
55.01849	0.6
55.05504	10.9
57.03429	1.1
57.07069	4.5
65.03934	2.9
67.05498	100.0
68.05824	1.0
68.18868	0.5
69.07059	9.7
69.26521	5.1
71.04990	1.4
71.08650	0.8
79.05489	13.9
81.07049	98.9
82.07373	1.0
83.04964	1.0
83.08614	5.2
85.06536	1.6
91.05464	5.3
93.07034	12.9
94.07379	0.5
95.04976	1.3
95.08598	80.5
96.08916	1.1
97.06532	1.7
97.10141	3.9
99.08101	0.8
101.05997	0.9
105.07011	3.6
107.08585	8.2
109.06524	0.5
109.10148	43.9
111.08040	0.7
111.11726	1.1
117.07007	2.0
119.08566	3.2
121.02859	0.9
121.06528	0.5
121.10135	8.0
123.08051	1.3
123.11693	24.4
125.09644	0.5
127.07561	0.7
131.08566	4.4
133.10121	3.2
135.02170	0.5
135.08057	0.6
135.11690	5.2
137.09650	0.9
137.13237	8.8
139.11217	0.6
145.10092	3.1
147.11668	3.0
149.02325	18.9
149.09581	2.4
149.13257	3.1
151.11180	1.2
151.14766	3.6
153.00494	0.9
153.09123	0.5
158.03282	0.6
159.11694	2.5
161.13255	2.3
163.11208	1.4
163.14822	1.4
165.12755	1.3
167.03490	0.5
167.10632	0.7
173.13235	2.5
177.12747	1.2
177.16412	0.7
179.14279	0.7
181.12202	1.4
187.14827	2.9
191.14339	1.5
195.13800	2.2
205.15889	1.0
209.15390	2.4
213.30736	0.6
219.05632	0.7
219.21103	1.0
223.16899	3.6
237.18399	1.4
243.21008	2.3
261.22125	4.5
279.09274	1.2
279.19861	1.8
279.23163	33.5
280.23526	1.2
295.42856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.05262	1.3
55.05507	14.6
57.07068	8.5
65.03927	1.7
65.10354	0.9
67.05498	30.8
69.07060	28.8
69.38231	1.7
69.38629	5.5
71.05001	1.5
71.08624	3.0
74.45847	0.7
79.05483	12.2
81.07047	100.0
82.07379	0.8
83.08615	14.7
85.06533	3.5
85.10162	1.2
91.05472	2.5
93.07035	11.5
95.05000	1.0
95.08597	80.2
97.10149	12.2
99.08096	1.9
99.28912	0.8
105.07028	1.6
107.08601	9.6
109.10143	40.5
111.11700	5.7
113.09658	0.7
118.82328	0.9
121.02904	0.9
121.10123	7.0
123.11691	13.1
125.09603	1.2
125.13238	1.9
133.10150	0.8
133.18477	0.9
135.11679	9.1
137.13249	6.7
149.02315	16.9
149.13246	7.7
151.14793	3.8
163.14799	3.5
165.16441	2.5
177.16376	2.2
179.17906	1.9
191.17976	1.7
205.19518	1.6
243.91084	0.8
260.31393	0.9
261.25604	3.7
279.08594	1.8
279.26816	10.4
294.26971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1012
Annotation	Xestodecalactone B
Peak:m/z	Relative Intensity
51.02394	1.5
54.03444	1.9
55.01859	5.0
55.04220	3.0
57.03436	1.4
57.07067	1.4
59.72799	1.5
59.99057	1.3
61.02916	2.3
67.05484	2.5
69.03422	8.0
69.03721	1.5
70.06601	1.7
70.22017	2.5
70.22431	5.2
73.02886	4.6
73.04775	1.9
79.05475	2.9
81.03400	8.1
81.04534	12.4
81.07034	3.0
82.05305	8.7
85.02885	6.8
86.95502	1.4
91.05409	13.5
93.07030	4.6
95.04944	3.4
95.08621	1.8
97.02883	59.2
97.03519	2.8
102.16286	1.5
103.05465	7.0
105.07008	7.0
107.04927	3.1
109.02856	3.1
109.06509	2.0
109.10088	2.2
111.04453	4.1
115.05439	9.6
117.06995	7.3
119.03493	2.1
119.04930	8.0
119.08654	1.8
120.06616	2.0
120.08093	5.1
121.06514	10.8
122.07132	21.4
123.04413	17.5
123.07923	100.0
127.03896	1.9
128.06189	12.6
129.06992	17.9
131.04912	10.3
131.08582	3.4
133.06480	6.3
135.04390	3.3
136.05154	2.8
136.06168	39.7
137.05966	23.0
141.06961	8.2
143.04915	5.1
143.08548	8.0
145.06462	14.0
147.04417	11.1
147.08029	3.9
149.05972	21.4
150.05519	2.5
151.07556	4.5
152.06155	2.0
153.06932	8.2
155.05989	2.1
155.08598	1.7
157.06483	17.1
159.04419	2.4
159.08037	3.8
160.05205	4.3
161.05962	18.8
162.04109	23.9
163.03899	6.4
163.07501	6.6
165.05473	22.7
165.07718	5.5
166.08701	2.0
167.07019	11.1
169.06470	5.7
171.08047	12.4
173.05951	15.4
174.06721	4.0
175.07544	30.5
176.04680	2.1
177.05437	7.0
177.09113	2.1
179.07014	4.8
181.04970	2.1
181.06430	11.6
185.05946	6.4
187.07494	8.0
188.08379	1.8
189.05444	14.8
189.09135	11.7
191.07018	22.0
193.03180	3.5
195.06552	2.4
197.05960	4.6
199.07510	18.3
201.05377	3.6
202.06145	1.6
203.01698	2.4
203.06961	20.6
205.08635	3.5
207.04771	2.0
207.06516	6.2
209.06033	2.4
209.07982	1.7
215.07031	6.4
217.03075	2.3
217.08624	17.0
219.06464	4.3
221.08043	3.7
226.99763	1.4
227.07031	12.9
233.08081	13.8
235.03967	2.7
235.06067	2.4
235.09602	3.3
243.15547	1.4
245.08069	43.1
251.09062	7.4
263.03748	2.1
263.09119	49.6
263.86703	1.5
266.99939	9.1
281.04767	3.9
281.10513	95.9
282.10840	1.8
283.03085	8.8
299.06137	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	281.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03463	2.4
55.04245	3.2
58.66228	0.3
70.02919	0.5
70.70777	1.0
74.38217	0.3
81.04530	13.0
81.07034	0.4
82.04844	0.7
82.05310	9.4
83.63051	0.3
85.02872	0.3
93.78561	0.3
97.07648	0.4
100.02125	0.3
108.05572	0.9
110.07162	0.8
121.07625	0.4
122.07136	18.9
123.07915	100.0
124.08267	1.1
136.06189	0.4
144.04805	0.4
146.35747	0.3
160.04222	1.0
161.85350	0.3
165.07698	6.7
281.10635	69.8
282.10876	1.1
299.06097	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.2
55.05503	18.7
57.03421	20.0
67.05499	85.4
67.16801	5.9
69.07058	15.2
69.37657	53.6
69.90722	6.1
71.04990	5.3
79.05489	100.0
81.03384	17.4
81.07051	59.9
83.04967	39.2
83.08604	12.0
91.05462	57.5
93.07027	58.2
95.04953	31.6
95.08598	32.9
105.07033	45.5
107.04971	7.2
107.08589	24.6
117.06977	9.2
119.08565	25.5
121.10177	5.6
129.06993	18.9
133.10106	16.3
134.09615	7.2
145.10078	10.7
147.11710	33.5
155.30632	6.7
161.09625	8.3
161.13234	14.1
171.11687	23.4
189.12643	13.7
207.13860	8.7
210.12848	7.5
210.37924	6.0
214.25917	6.1
281.17426	33.9
281.38443	5.8
282.22122	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	281.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.7
55.01860	6.3
55.05507	36.2
57.03428	24.3
57.07066	3.6
59.04992	2.3
65.03941	3.6
67.05499	81.9
69.03413	4.2
69.07061	19.4
70.92364	3.1
70.92693	2.5
71.04964	3.8
73.06551	2.2
79.05486	100.0
81.03407	19.4
81.07049	71.1
83.04973	35.0
83.08612	8.9
85.02914	1.9
85.06525	6.2
91.04892	3.2
91.05468	69.0
93.07033	74.9
95.04963	31.8
95.08597	47.0
97.02913	2.6
97.06505	8.3
97.10150	5.6
103.05491	2.6
105.04528	1.5
105.07020	53.1
107.04940	9.6
107.08575	22.0
107.25993	1.7
109.02755	1.3
109.06512	7.9
109.10139	13.4
111.08080	4.4
113.09642	1.6
115.05476	3.8
117.07011	13.3
119.08563	31.9
121.06493	5.3
121.10137	8.2
123.08065	10.3
123.11720	2.9
127.03857	1.9
128.06236	4.5
129.07007	17.1
131.07695	1.5
131.08577	5.8
133.06491	3.4
133.10118	13.6
135.11690	3.2
137.05923	1.6
141.06927	1.6
142.07829	2.6
143.08559	8.1
145.06438	2.7
145.10098	11.3
147.08043	4.9
147.11676	40.7
151.07643	1.6
151.14848	2.3
158.07220	1.4
159.11636	1.9
161.05986	3.4
161.09639	4.9
161.13264	14.4
169.10211	2.2
171.11685	27.3
181.04909	3.2
189.05435	1.9
189.12689	9.4
207.12003	2.4
207.13731	10.8
221.08006	3.5
223.07475	2.2
251.09071	3.0
253.12279	3.6
263.09171	2.9
281.11926	3.7
281.17444	32.1
281.22574	1.9
283.03052	2.0
299.06110	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	281.1744
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02377	1.8
53.03941	11.1
55.01857	6.1
55.05504	41.9
56.01395	1.8
57.03432	36.1
57.07073	9.9
65.03912	5.3
67.05495	95.1
69.03400	4.6
69.07063	26.7
69.44548	12.3
71.04974	3.8
71.08625	7.1
73.06552	2.5
79.05485	100.0
81.03406	18.2
81.07047	91.8
83.04977	37.2
83.08607	11.0
85.02892	2.2
85.06531	5.5
87.94381	1.9
91.04899	3.5
91.05469	78.5
93.07033	87.8
95.04959	30.0
95.08596	52.4
97.02884	4.5
97.06515	7.1
97.10150	8.0
99.08067	4.1
103.05487	2.2
105.04507	2.2
105.07021	53.9
107.04973	11.5
107.08587	30.2
109.06500	9.3
109.10150	20.8
111.04375	1.8
111.08054	3.9
115.05416	3.0
117.07001	11.6
119.08559	32.9
121.06478	4.2
121.10132	9.2
123.08023	8.5
123.11682	5.2
127.07510	2.9
128.06219	3.1
129.07005	21.6
131.08554	4.7
133.06465	3.8
133.10103	17.1
135.08026	3.2
135.11696	5.9
137.09639	2.2
138.35367	1.8
143.08566	11.7
144.94289	1.7
145.10092	13.9
147.07970	4.1
147.11661	48.3
151.07503	2.4
161.05989	2.5
161.09596	7.3
161.13237	18.0
168.74171	1.8
171.11671	32.7
189.12692	11.4
189.16267	2.0
207.13766	12.6
221.08032	2.7
225.09009	2.3
232.92897	1.8
250.09758	2.7
281.10284	3.5
281.14639	2.9
281.17505	35.9
281.25061	1.9
281.28293	4.2
299.06122	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	281.1747
Annotation	Myxostiolide
Peak:m/z	Relative Intensity
51.31544	1.1
52.23229	1.1
53.03934	4.9
55.01860	4.7
55.05507	64.4
57.03431	14.1
57.07071	52.7
58.06576	2.1
62.77634	1.1
64.48293	1.1
65.03934	1.6
67.05499	51.2
69.03428	2.2
69.07063	100.0
69.80304	7.3
70.06595	2.7
71.04984	3.8
71.08626	26.5
72.04507	3.7
72.08144	9.2
79.05486	48.0
81.03394	3.8
81.07050	58.6
83.04976	18.0
83.08610	67.4
85.02918	1.3
85.06527	4.3
85.10184	12.7
86.06061	13.7
86.09708	4.1
91.04896	1.5
91.05469	27.1
93.07036	44.9
95.04948	12.1
95.08598	51.3
97.06526	23.5
97.10162	56.6
99.08076	2.4
100.07607	20.2
105.07026	18.7
107.04944	4.2
107.08588	24.7
109.06501	4.3
109.10149	22.4
111.08082	16.1
111.11714	21.4
113.09621	1.6
114.09149	15.9
117.07008	3.6
119.08582	10.1
121.06490	2.2
121.10139	24.4
123.08066	3.7
123.11674	6.9
125.09603	9.5
125.13274	7.4
128.10707	9.8
129.06985	6.8
133.10123	3.2
135.11671	23.6
137.13237	4.1
139.11166	5.6
142.12250	7.1
143.08537	3.6
143.21089	1.1
145.10083	4.1
147.11700	12.6
149.13248	15.3
151.14818	4.1
153.12737	4.3
156.13808	4.7
161.09619	1.9
161.13251	5.9
163.14815	9.4
165.16394	1.8
167.14328	3.3
170.15373	2.4
171.11736	11.1
177.16362	5.4
181.15875	1.8
184.16914	2.1
189.12727	4.0
191.17934	3.0
198.18523	1.9
205.19553	1.5
207.13800	4.9
209.19041	2.4
212.20097	2.8
226.21707	2.1
226.70493	1.3
240.26840	1.9
247.24197	32.0
265.25247	27.8
281.17621	11.0
282.27884	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2836
Annotation	6,10,14-Trimethyl-2-methylenepentadecanal
Peak:m/z	Relative Intensity
53.03930	3.7
55.05507	40.2
56.04010	1.7
56.96553	3.4
57.03410	7.1
57.07071	80.3
58.36829	1.7
59.82473	1.6
61.47734	1.5
65.03907	2.2
67.05498	49.0
69.03413	7.2
69.07062	67.9
71.04971	5.9
71.08627	55.9
71.53024	1.8
71.53406	2.0
73.02901	1.6
79.05484	29.5
80.89785	1.8
81.03395	6.8
81.07049	100.0
83.04959	7.4
83.08141	2.9
83.08608	41.6
83.36928	1.5
85.02919	2.8
85.06539	17.4
85.10179	26.8
88.84525	1.7
90.70328	1.7
91.05457	19.5
93.07023	22.5
95.04943	8.0
95.08598	72.3
96.08925	2.0
97.06510	5.5
97.10168	29.3
98.97550	2.7
99.08086	13.2
99.11720	3.6
105.07037	15.6
107.04894	2.5
107.08584	13.7
109.02831	2.5
109.06506	4.2
109.10151	45.8
111.04391	1.9
111.08032	2.4
111.11697	17.5
111.80635	1.6
113.09590	4.1
117.06982	4.5
119.04893	2.5
119.08573	8.9
121.02836	1.7
121.06485	3.3
121.10122	7.5
123.08030	4.0
123.11694	24.8
125.13249	6.0
127.03884	4.4
127.14745	1.9
129.06990	7.7
131.08537	3.9
133.06430	5.1
133.10081	4.7
135.08040	3.4
135.11700	4.6
137.05937	3.0
137.13234	17.2
143.08522	3.1
145.06401	3.2
145.10089	4.7
147.11691	10.2
149.13274	2.6
151.14827	4.0
153.16356	2.2
159.08043	2.7
161.05994	8.5
161.13234	4.2
163.14784	2.6
165.16347	3.3
167.07048	2.6
171.11676	7.4
173.05956	2.4
173.09558	1.7
181.04907	6.4
181.08560	2.2
183.35452	1.9
189.05405	4.4
193.19482	3.7
201.05394	1.9
207.06444	1.8
207.21260	2.4
221.07932	8.7
233.08023	3.6
239.10620	2.1
251.09117	3.7
263.09250	4.3
263.27319	4.1
281.07831	3.9
281.10422	5.8
281.14786	3.8
281.17581	6.6
281.22046	2.1
281.28345	65.9
282.21906	2.4
282.28622	3.0
299.06113	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	281.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.1
55.01857	2.9
55.05270	2.6
55.05506	40.2
56.96544	1.9
57.03419	7.0
57.07071	77.0
59.80896	1.6
61.14813	1.8
65.03929	2.9
65.53155	1.7
67.05501	56.9
69.03407	6.4
69.07061	78.1
70.92458	3.8
71.04975	4.2
71.08627	56.1
79.05489	28.7
81.03404	7.8
81.07048	100.0
83.04982	11.6
83.08611	53.1
85.02888	4.2
85.06533	14.9
85.10170	29.2
91.05461	22.2
93.07039	28.5
93.11848	1.9
95.04984	10.9
95.08599	85.9
97.06519	2.6
97.10162	37.2
98.97557	2.8
99.08081	11.7
99.11725	4.3
105.07027	20.0
107.04932	4.6
107.08595	12.4
107.43755	1.8
109.06499	4.8
109.10145	51.7
111.08065	2.2
111.11713	23.1
113.09610	7.3
113.13299	2.9
115.05443	3.8
117.06977	5.0
119.04950	2.0
119.08582	12.0
121.06487	2.3
121.10117	6.3
121.23970	1.9
123.08064	4.6
123.11687	29.0
125.13235	3.7
129.07002	5.4
131.08543	1.9
133.06456	3.2
133.10103	6.4
135.11662	4.1
137.05980	4.0
137.13251	14.4
143.08531	3.7
145.10121	3.7
147.04335	2.1
147.11671	14.5
147.60957	2.2
149.09521	3.4
149.13211	3.2
151.07535	2.3
151.11180	2.1
151.14815	5.0
155.14314	2.2
157.06546	2.3
161.05952	9.9
161.09618	2.0
161.13203	5.3
165.16360	2.6
169.10088	2.2
171.11626	8.8
181.04955	6.5
188.64479	2.0
189.05441	4.7
189.12686	2.3
198.34758	2.0
203.06956	3.3
207.08102	2.4
209.09413	2.3
221.08051	7.3
233.08072	4.4
249.09204	2.6
263.09058	5.1
263.16327	3.4
263.27301	4.6
266.99847	3.1
281.11563	6.7
281.15018	3.8
281.17645	5.7
281.28342	64.9
299.06308	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	282.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01865	2.6
55.05484	1.5
56.96547	4.1
57.03445	7.1
61.02919	10.4
67.05495	2.4
69.03429	16.3
69.21585	7.3
69.22007	8.4
71.04964	2.9
73.02906	4.5
75.27056	1.8
81.03398	6.9
85.02898	100.0
85.06530	15.4
86.03248	2.4
87.04456	2.7
91.03966	9.8
91.05455	2.5
97.02885	23.3
98.21462	3.1
98.97557	7.5
99.04431	4.6
101.02342	1.9
103.03943	2.7
109.02856	8.7
112.07584	1.6
116.98608	3.6
127.03905	28.3
128.98563	1.6
130.08626	2.9
134.99573	2.0
136.06143	1.7
137.05939	2.4
145.04950	45.1
150.07726	4.1
163.05989	13.5
174.04361	1.9
177.00671	2.9
186.04343	1.6
193.03177	5.2
196.04329	3.1
204.05380	3.0
217.05353	2.3
229.10686	5.2
237.02783	1.5
252.12419	1.8
267.99872	2.0
270.13568	4.7
282.13593	5.7
282.22079	2.1
300.06030	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	283.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01855	0.4
55.05486	0.2
57.03435	1.0
57.03654	0.2
60.21547	0.1
61.02904	0.4
65.03931	3.0
67.05505	0.3
68.99796	0.3
69.03423	5.2
69.07031	0.2
70.06586	1.1
71.01328	0.4
71.04987	0.4
71.52331	0.2
73.02911	0.3
79.01832	0.2
79.05486	0.2
81.03408	9.2
81.07027	0.2
83.04981	0.2
85.02900	5.0
91.05475	0.3
93.07012	0.3
95.04364	0.4
95.04958	5.9
95.08571	0.2
97.02890	1.6
99.04433	0.9
105.06998	0.2
107.04943	1.2
109.02872	3.9
111.04437	3.0
112.07614	0.4
115.05428	0.2
119.04893	0.3
119.08576	0.2
121.02853	100.0
121.03862	3.0
121.10086	0.2
122.03174	1.6
127.03918	1.2
139.03883	7.8
140.07040	0.2
147.04352	0.2
151.03915	0.3
165.06940	0.2
171.67705	0.2
173.05890	0.2
191.08311	0.2
207.06503	0.5
211.40288	0.2
240.07922	0.3
265.07040	4.7
267.06805	0.2
267.10242	0.4
276.29169	0.1
283.09433	0.6
284.12701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	8.8
53.70612	7.1
55.01876	33.3
55.05507	61.2
57.03431	50.4
57.07061	12.9
58.86669	6.2
59.04996	5.9
61.57337	6.5
66.11402	6.2
66.52111	6.1
67.05503	42.3
68.71277	6.3
69.07047	17.7
69.39287	57.3
71.04996	13.2
74.96761	7.1
79.05489	54.3
81.03413	31.1
81.07062	57.3
83.01336	26.9
83.04993	34.9
83.08602	29.7
85.02930	9.0
89.06055	50.9
89.23731	7.0
91.05470	42.9
93.07034	78.4
95.04963	27.7
95.08587	37.1
97.06533	15.7
101.14458	7.8
105.07021	35.6
107.04951	20.0
107.08550	39.8
109.06508	13.9
109.10196	7.5
117.06984	15.4
119.08568	27.3
121.06490	17.4
121.10146	33.2
123.08049	22.7
125.06002	8.2
131.08585	18.4
133.08603	18.7
133.10136	7.8
135.11671	54.3
137.09671	7.6
145.10118	58.0
153.12740	14.9
155.08572	9.3
163.11169	100.0
173.09595	12.2
180.36792	6.4
181.12215	22.1
191.10704	10.5
209.11713	19.0
227.12793	56.9
283.15311	62.8
283.20319	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	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
53.35225	1.3
54.50315	1.5
55.01859	4.3
55.05509	12.5
57.03432	12.2
57.07066	2.4
65.03933	2.2
67.05501	23.0
67.67876	1.2
69.07058	11.1
69.24330	1.9
69.24731	14.5
71.04974	3.4
73.02902	2.1
79.05482	35.4
81.03416	4.8
81.07041	26.8
83.04971	6.2
83.08607	9.0
85.06557	2.1
89.06027	1.5
91.05470	10.0
93.07033	43.0
95.04960	11.0
95.08591	39.6
97.02881	5.2
97.06532	4.4
98.20776	2.2
99.04446	5.2
103.05474	1.7
105.07028	9.9
105.65161	1.5
107.04946	12.5
107.08581	32.0
109.06496	4.0
109.10151	2.8
111.04449	2.7
111.08076	2.2
117.06996	13.8
119.08564	12.2
121.02790	2.5
121.06485	7.3
121.10142	17.6
125.05963	3.1
128.98206	1.5
130.07785	3.8
133.10130	3.3
135.08049	3.1
135.11671	48.7
139.07449	1.5
145.10104	29.3
153.12706	3.3
163.11156	71.0
164.11488	2.5
171.11729	1.3
173.09579	3.6
179.90009	1.3
181.12190	13.8
191.10699	2.5
209.11650	2.3
227.12749	100.0
283.09674	1.5
283.15286	18.4
283.20422	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14596	1.1
53.03933	2.4
55.01859	5.2
55.05508	13.3
57.03435	11.0
57.07066	3.3
67.05498	17.7
69.03429	2.4
69.07062	7.9
70.12573	4.7
71.04974	1.7
71.25027	1.1
73.02906	1.2
79.05489	29.6
81.03403	3.5
81.07047	21.4
83.04966	4.7
83.08618	9.2
83.76402	1.2
89.06010	1.3
91.05478	9.7
93.07039	42.3
95.04939	7.6
95.08601	41.5
95.82900	1.4
97.02883	5.2
97.06508	3.9
97.10147	1.5
99.04427	4.3
105.07024	7.8
107.04941	11.7
107.08588	25.8
109.06473	2.8
109.10131	5.0
111.04427	3.4
117.07023	9.3
119.08571	11.0
121.06496	7.4
121.10136	14.6
125.05971	3.8
130.07750	2.3
131.08530	1.6
133.10114	3.3
135.08086	2.2
135.11679	49.3
136.11954	1.3
139.07561	2.9
145.10126	31.0
149.09630	2.4
153.12732	1.8
157.11769	1.3
163.11168	68.9
164.11372	1.3
181.12222	15.1
209.11685	1.6
227.12764	100.0
228.13028	2.9
283.15280	19.3
283.20197	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69985	0.9
53.03924	2.4
55.01864	3.7
55.05510	13.7
55.56236	1.0
57.03435	13.7
57.07077	1.7
59.33651	1.1
61.02909	0.8
65.03931	1.8
67.05177	1.6
67.05502	21.1
69.03405	2.3
69.07063	10.4
69.79881	3.7
69.80303	1.7
71.04988	2.6
71.08597	1.1
79.05488	34.0
81.03416	3.4
81.06588	1.5
81.07050	26.0
83.04977	5.4
83.08617	10.1
87.74675	1.0
88.18009	1.1
89.06017	2.2
90.00764	1.0
91.05467	11.6
93.03402	1.0
93.07035	47.5
95.04961	8.5
95.08601	47.1
97.02860	4.9
97.06516	4.6
99.04455	5.9
103.05480	1.2
105.07024	10.3
107.04948	11.1
107.08587	31.3
109.06490	3.2
109.10142	2.1
111.04437	2.5
111.08080	1.7
111.53907	0.9
116.23531	0.8
117.07005	13.0
119.08578	12.2
121.02859	1.2
121.06491	6.9
121.10129	16.0
123.08063	0.9
125.05973	3.5
127.07557	1.4
129.06998	2.5
130.07777	2.1
131.08594	2.1
133.10109	2.3
135.08046	3.3
135.11681	57.0
139.07587	2.3
143.08580	2.3
145.10109	33.2
153.12724	1.2
155.08571	1.7
157.10095	1.1
163.11169	69.9
169.09949	0.8
171.11682	1.3
173.09634	2.1
181.12251	16.1
209.11761	1.5
227.12764	100.0
228.13132	2.4
234.78529	1.0
251.25937	1.1
276.20276	1.2
283.10574	1.1
283.15338	20.3
283.20508	2.8
283.23752	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.169
Annotation	4-Prenyldihydropinosylvin
Peak:m/z	Relative Intensity
55.05492	7.6
57.03421	3.0
57.07077	4.2
67.05489	11.5
69.07066	6.4
79.05485	12.3
81.03400	3.6
81.07051	14.9
83.04984	5.2
83.08625	5.9
91.05482	13.7
93.07047	16.3
95.04969	2.4
95.08607	8.6
97.02853	2.9
105.07031	10.4
107.04945	9.4
107.08604	5.8
117.07000	9.3
119.08598	8.6
121.06538	5.5
121.10154	4.1
123.08047	3.0
130.07785	3.8
131.08543	3.1
135.04402	5.0
135.11710	6.8
136.05209	21.4
143.08565	2.8
145.06470	3.0
145.10138	16.2
146.07173	3.8
150.06729	2.7
151.07536	59.5
153.12822	3.8
159.08086	4.1
161.05943	2.7
163.07536	3.7
163.11174	10.9
165.06924	4.5
165.09131	6.4
179.08525	6.6
181.12321	3.9
183.08049	3.8
189.09013	3.0
191.10664	3.0
193.10139	5.0
194.07291	4.9
195.08116	8.6
196.08902	3.7
197.09567	4.2
201.09190	2.8
207.08185	3.0
208.08899	11.5
209.09674	18.6
209.11488	4.3
210.10414	11.5
211.11073	3.7
215.10770	6.9
222.10390	7.9
223.11151	37.8
224.11813	3.5
225.09099	12.9
226.09933	11.1
227.10667	5.9
227.12704	6.7
227.80077	2.6
237.12752	18.6
239.10686	22.3
240.11472	8.1
241.12198	22.1
251.14403	9.8
252.15060	30.0
253.12332	9.3
254.13008	19.0
255.13644	3.9
268.14655	12.2
283.16974	100.0
284.17389	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	283.169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72994	2.3
54.17523	2.9
55.01855	2.9
55.05502	5.1
57.07062	3.5
63.76138	2.9
67.05504	7.9
69.07057	7.0
71.52912	4.0
74.85019	2.4
75.59395	3.1
79.05491	11.1
81.03433	4.1
81.07043	12.5
91.05472	18.0
93.07027	9.0
95.04967	5.5
95.08605	12.4
102.03270	2.6
103.05414	3.3
105.07026	18.9
107.04940	8.2
107.08585	7.8
108.05743	4.2
109.06534	2.9
109.10100	3.7
115.05459	2.6
117.07014	8.8
119.08586	10.1
121.02936	2.9
121.06496	4.2
121.10147	5.1
123.76429	3.1
130.07726	5.2
131.08574	3.9
135.04399	4.2
136.05188	29.9
143.08525	4.1
145.06563	2.8
145.10150	20.1
145.54338	2.7
147.08063	2.9
150.06778	4.9
151.07535	100.0
157.10123	3.7
161.05898	3.0
163.11118	3.3
165.09108	12.1
175.07486	3.6
177.05516	5.8
179.08522	4.8
181.06374	3.9
181.10182	3.9
189.09134	6.3
193.10039	6.3
195.08086	7.8
196.08844	5.3
197.09615	3.6
199.68994	2.8
201.08961	3.7
205.04919	7.6
208.08760	4.9
209.09619	9.8
210.10468	7.3
212.08279	2.9
215.10712	5.4
219.11795	3.2
221.09636	4.1
221.13069	3.2
222.10350	10.8
223.11127	16.7
224.11887	2.9
225.09137	7.4
226.09813	3.2
227.10625	4.9
236.11853	5.0
237.12762	19.9
239.10658	17.8
239.14296	3.2
240.11299	4.6
241.12224	9.1
251.14278	6.7
252.15070	15.2
253.12207	14.5
254.12921	7.6
268.14551	7.2
283.09952	4.7
283.13770	3.6
283.16962	82.8
283.20300	7.6
284.10629	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	283.1692
Annotation	4-Prenyldihydropinosylvin
Peak:m/z	Relative Intensity
53.03942	2.4
55.05509	4.5
57.07062	2.2
57.52097	1.6
67.05495	6.4
69.07067	3.5
71.52383	2.5
74.47516	1.4
79.05502	9.3
79.75710	1.3
81.07055	9.5
81.07472	1.8
89.06021	2.1
91.05463	13.9
93.07053	8.7
95.08591	6.2
103.05473	2.0
105.07031	13.8
107.04948	7.0
107.08571	6.6
108.05722	2.8
109.06514	2.6
115.05455	2.1
117.06993	9.2
119.08583	12.1
121.06544	2.9
121.10144	4.9
123.08087	1.8
129.06993	6.6
130.07787	4.6
131.08586	3.8
133.06456	1.8
133.10115	2.2
135.04405	5.9
135.11694	1.8
136.05194	35.6
137.05936	2.1
145.06438	2.1
145.10123	18.2
146.07277	2.7
147.11639	2.7
150.06755	4.8
151.07536	100.0
157.06340	1.6
158.07259	1.8
159.08078	3.0
159.11720	2.7
160.08751	2.4
161.05995	3.2
163.07530	2.5
165.07051	3.4
165.09053	10.8
166.07809	2.6
167.08577	2.4
172.08749	1.9
173.13239	1.7
174.06760	4.3
177.09164	3.3
178.07716	2.5
179.08556	5.4
181.06468	4.6
181.10124	4.1
182.07274	3.1
183.08086	3.7
187.07439	2.0
188.08324	1.8
189.09038	8.8
191.08733	2.3
191.10588	3.8
193.10161	6.1
194.07347	3.2
195.08037	8.1
195.11667	1.6
196.08844	4.1
197.05904	2.5
197.09724	3.4
201.09062	3.6
202.09892	2.8
203.10706	3.7
205.10123	2.1
208.08803	6.0
209.09581	13.7
210.10452	8.3
211.07542	3.8
211.11131	2.2
212.08385	3.0
213.09109	2.7
214.09898	2.0
215.10699	6.9
221.09589	5.8
222.10349	8.3
223.11160	17.6
224.08205	3.2
224.11975	3.2
225.09074	7.6
225.12689	2.1
226.09871	3.8
227.10634	6.2
235.11026	2.5
236.11946	4.3
237.09027	1.7
237.12735	25.9
238.09996	1.6
239.10674	15.7
240.11412	6.9
241.08322	1.9
241.12180	15.0
250.13539	2.0
251.14204	10.4
252.15111	20.0
253.12209	14.4
254.12939	6.7
255.10005	3.0
268.14569	9.1
283.09753	6.5
283.16943	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2265
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
53.03925	1.3
55.01870	4.3
55.05512	14.2
57.03432	26.0
57.07075	7.8
60.68012	0.8
67.05505	5.9
68.99786	1.0
69.03398	2.5
69.07056	17.3
71.04971	0.9
71.08613	2.9
71.52537	1.4
73.02905	3.4
79.05485	4.9
81.07049	7.6
83.04989	4.4
83.08608	8.6
85.06541	5.8
85.10195	1.1
87.00830	5.4
87.04461	2.7
89.06004	3.3
91.05473	3.3
93.07031	5.5
95.04941	1.5
95.08591	5.8
97.02872	1.5
97.06523	3.7
97.10173	5.2
99.04427	3.5
99.09528	0.7
104.47388	0.7
105.07008	2.3
107.04916	1.7
107.08605	3.7
109.10132	2.7
111.04418	1.6
111.08088	1.3
111.23386	0.8
116.08051	1.0
117.05486	3.6
117.07028	0.8
119.08562	1.8
121.10123	3.6
123.11744	0.8
125.09629	1.1
127.03884	1.2
129.05455	2.6
131.08556	1.3
135.11670	2.9
145.10114	1.2
163.11156	1.6
227.12694	1.1
237.22093	1.2
283.09592	1.2
283.22659	100.0
284.22971	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2632
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
53.03930	2.6
55.05509	32.6
57.07075	16.4
59.04984	3.3
65.03954	2.1
65.66875	1.9
67.05504	41.4
69.03416	3.2
69.07064	72.8
69.43580	14.3
69.43983	6.1
70.06584	2.5
71.04989	6.2
71.08621	6.1
73.06538	2.8
79.05485	14.2
81.03407	3.0
81.07053	100.0
83.08620	36.4
85.02914	2.8
85.06532	16.1
85.10179	3.5
87.08130	2.3
91.05504	2.7
93.07040	30.1
95.04984	3.4
95.08602	98.6
97.10160	21.9
99.08093	9.0
107.08597	34.8
108.80209	2.2
109.10151	65.8
111.08114	3.0
111.11710	10.7
112.07595	2.2
113.09655	6.7
121.02859	33.4
121.10148	26.5
123.11697	29.6
125.09573	2.2
125.13250	2.1
127.03877	2.1
135.11687	27.5
137.13232	17.7
139.03911	3.2
139.11133	2.6
149.13245	21.3
150.13579	2.6
151.14873	10.5
153.12723	2.4
163.14879	14.1
165.16338	10.2
176.88200	2.1
177.16428	12.6
185.93797	2.3
191.17863	12.2
194.07231	2.2
247.24161	26.5
265.25327	7.6
283.09625	6.5
283.26285	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.263
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
53.03936	4.3
55.01854	1.8
55.05508	39.8
57.03422	4.4
57.07069	19.2
59.04984	3.1
65.03931	4.2
67.05170	2.9
67.05501	31.2
69.03410	6.9
69.07063	55.1
69.55820	4.3
69.56222	9.6
70.06592	3.3
71.04994	9.4
71.08633	7.7
79.05492	17.2
81.03423	9.2
81.07052	98.8
83.04982	3.3
83.08614	31.1
85.02894	6.8
85.06536	16.3
91.05460	6.2
93.07041	28.9
95.04967	8.5
95.08601	100.0
97.02872	2.9
97.06503	3.4
97.10165	19.1
99.08079	6.8
99.62003	1.7
105.06995	4.5
107.08586	24.7
109.02850	4.0
109.10150	68.3
110.10463	1.9
111.04430	3.0
111.08041	2.5
111.11708	12.4
112.07614	2.2
113.09619	5.5
121.02858	81.6
121.06409	2.0
121.10138	26.4
122.03158	3.4
123.11707	31.7
125.09588	4.4
125.13251	1.9
126.52308	1.5
127.03970	1.7
127.11195	3.7
131.04924	2.8
131.08519	1.9
135.11681	24.6
135.57063	1.9
137.12273	3.0
137.13239	22.9
139.03857	4.4
139.11165	2.3
145.10115	1.8
149.13257	18.5
151.14783	9.1
155.14288	2.0
163.14810	13.2
165.06970	2.4
165.16367	9.1
177.16397	13.8
181.15831	2.4
183.17506	3.3
191.17915	15.9
195.08104	2.0
197.05867	2.7
205.19475	3.2
223.07513	2.2
240.07750	5.4
247.24181	23.0
248.24602	2.8
251.06871	2.0
265.25259	15.4
268.07324	4.2
275.97934	1.7
278.73846	1.5
280.25937	1.6
283.06219	3.4
283.09650	15.0
283.12921	3.1
283.26309	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64523	0.6
51.94121	0.5
56.96542	0.7
57.07042	0.6
60.08168	2.7
69.03413	1.1
70.06585	17.0
71.44015	1.0
81.03387	0.7
85.02869	1.0
86.09676	0.5
89.39262	0.5
93.65357	0.5
94.02901	1.1
95.04947	0.8
97.02875	0.6
99.04452	0.7
109.02884	0.9
112.07595	11.5
113.79656	0.5
119.07315	1.1
123.04429	0.9
127.03883	1.5
133.05206	0.7
134.05978	2.5
135.06789	0.6
136.07541	0.6
140.06978	2.5
147.06770	0.6
150.05482	0.6
151.02145	0.6
152.05646	1.3
158.08110	1.4
162.05481	6.7
163.06244	6.6
164.85017	0.5
165.02437	1.9
165.04173	2.9
166.03194	2.3
168.04735	1.3
174.33688	0.5
176.07037	2.0
178.03186	1.4
179.07034	5.9
181.01871	0.6
191.59749	0.6
194.02693	31.0
195.03476	56.0
196.04251	20.2
208.04272	1.0
222.05768	1.0
225.07507	0.7
238.05299	40.2
239.05511	1.3
284.05838	100.0
284.29382	2.9
285.06207	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	284.0988
Annotation	Guanosine
Peak:m/z	Relative Intensity
52.77384	0.2
55.01869	0.6
55.05517	0.3
56.96559	3.4
57.03433	1.0
57.07048	0.3
61.02909	0.9
67.05514	0.3
69.03429	2.2
70.06091	0.6
70.06541	1.0
71.04992	0.4
71.95253	0.3
72.08138	0.2
73.02898	1.0
81.03412	0.6
81.07028	0.3
84.08127	0.4
85.02895	3.0
85.11320	0.2
87.04462	0.4
88.99123	0.3
95.04977	0.3
97.02880	2.2
98.97570	4.2
99.04508	0.4
101.00855	0.4
107.04957	0.4
108.08102	0.3
109.02882	0.4
109.05110	0.5
110.03522	2.0
110.06109	0.3
110.07104	0.3
112.07579	0.2
116.98614	3.6
119.01920	1.7
124.07571	0.3
127.03899	0.6
128.04573	1.5
128.98640	0.4
129.05460	0.3
131.01854	0.6
134.99652	3.1
135.03017	3.4
136.06184	0.8
136.07495	0.6
137.02927	0.9
143.00076	0.3
145.03430	0.4
146.99643	0.6
149.02907	0.3
152.05661	100.0
153.00674	0.6
153.04073	8.3
153.05336	0.4
153.05969	0.4
154.03838	0.5
155.01979	0.3
157.03485	0.3
161.01195	0.5
161.02899	0.9
163.03934	0.3
164.05713	0.3
164.07088	0.9
172.94359	0.3
173.02791	0.3
174.00768	0.6
177.00891	2.9
179.03587	0.3
181.04359	0.3
185.02831	0.4
193.00154	0.2
196.04205	0.6
197.04630	0.9
203.04004	0.5
205.03914	0.3
215.03989	0.3
217.03984	0.3
217.98601	0.3
219.01897	3.0
219.03633	0.3
220.02138	0.4
221.04837	0.3
225.00970	0.2
226.05948	0.4
231.09035	0.2
234.99669	0.4
237.02829	0.8
242.03226	0.3
243.02031	1.0
256.06693	0.2
260.99655	0.8
261.03018	11.1
262.03024	1.2
279.00598	2.1
284.04593	0.7
284.07828	0.7
284.11099	0.6
284.29382	0.6
302.05090	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1276
Annotation	Norcinnamolaurine
Peak:m/z	Relative Intensity
53.03937	0.7
54.43604	0.4
55.01870	0.4
59.20430	0.4
68.99792	0.7
69.07043	0.4
70.06583	4.2
70.22203	1.5
79.05484	1.8
79.91949	0.4
81.03409	0.6
81.07072	0.4
84.08150	0.4
85.02880	0.4
88.03934	0.4
91.05470	1.8
93.07009	0.4
95.04967	0.9
97.02920	0.4
103.05447	0.9
105.03421	0.4
106.53648	0.4
107.04945	100.0
108.05283	1.6
111.18140	0.4
112.07592	3.0
113.10904	0.4
115.05449	8.9
117.07014	1.2
119.04925	1.1
121.02857	2.0
121.06500	1.8
122.03210	1.2
129.40561	0.4
131.04922	3.9
135.04395	6.6
137.06010	0.4
137.43518	0.4
140.07013	1.0
143.04907	12.0
144.05731	0.5
145.06470	5.3
149.05954	1.7
155.04916	0.8
155.12004	0.4
160.05165	0.7
161.05949	3.5
165.07074	0.6
166.07800	1.3
173.05971	14.9
176.07065	1.5
181.06496	1.5
181.10109	1.7
183.89830	0.4
187.01743	0.3
187.03749	0.5
190.07713	0.9
191.08522	3.3
194.07251	3.5
194.95883	0.4
195.08000	0.5
201.05423	1.0
202.16907	0.4
209.09596	10.7
219.07932	1.9
220.08621	0.4
222.06859	0.6
229.04962	3.4
237.09071	11.7
237.11415	0.8
252.07730	0.6
253.08754	0.5
255.10274	0.5
257.04385	1.8
267.10141	38.7
268.10550	0.9
284.12784	40.9
284.29465	0.8
285.03879	8.9
285.13165	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0754
Annotation	Acacetin
Peak:m/z	Relative Intensity
55.01877	0.1
55.05498	0.2
57.03411	0.3
67.01851	0.6
67.05461	0.4
68.99804	0.1
69.03398	0.2
69.07060	0.6
69.47458	1.0
79.05447	0.2
81.03399	0.2
81.07018	0.3
83.04969	0.8
83.08583	0.1
85.02885	0.2
85.06471	0.2
87.04420	0.2
91.05485	0.6
93.07004	0.4
95.04967	1.6
95.08575	0.2
97.06496	0.2
99.04453	0.2
99.08100	0.2
105.06992	0.2
107.08566	0.3
109.10137	0.2
111.04395	0.2
112.78028	0.1
115.03841	0.2
119.04916	1.9
120.05699	0.5
121.02847	0.9
121.10139	0.3
124.01553	2.7
131.04890	0.2
136.26401	0.1
137.05908	0.1
139.58601	0.1
140.10710	0.1
141.05389	0.1
141.06897	0.1
145.02831	1.0
147.11743	0.2
151.11151	0.2
160.05159	0.3
161.05945	0.3
165.06982	0.5
167.03381	4.7
168.05693	0.4
169.06378	0.3
171.04385	0.2
181.06421	0.2
182.07254	0.2
185.04411	0.6
185.05974	0.3
186.06662	0.3
187.03877	0.9
193.06459	0.4
196.05132	0.5
197.05969	1.5
210.06674	0.3
211.07576	0.2
213.05438	1.3
214.06174	0.4
221.05975	0.4
224.04648	0.3
224.08331	0.1
225.05435	0.7
225.09056	0.4
239.06993	0.2
239.10634	0.2
241.04909	0.3
242.05708	21.1
243.06154	0.6
253.04839	0.2
253.08582	0.8
254.05850	0.1
257.08093	0.3
267.10068	0.2
270.05206	8.3
271.05627	0.3
285.07532	100.0
286.07904	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0754
Annotation	Acacetin
Peak:m/z	Relative Intensity
55.05494	0.3
57.03419	0.3
61.70788	0.2
62.51232	0.2
67.01849	0.5
67.05478	0.4
69.37433	1.3
74.27818	0.2
74.81780	0.2
74.93265	0.1
79.05489	0.3
81.03399	0.6
81.07056	1.0
83.08651	0.2
85.02911	0.5
91.05474	0.7
93.06997	0.3
95.04964	0.3
95.08595	0.2
99.04457	0.2
105.07028	0.4
107.08562	0.4
111.04459	0.2
119.04919	1.9
119.08592	0.3
120.05694	0.5
121.02840	0.8
124.01548	2.6
130.59021	0.2
133.10081	0.3
137.09651	0.2
143.08540	0.2
145.02826	1.1
145.10126	0.2
147.11700	0.3
157.10146	0.4
160.05147	0.4
161.05931	0.2
165.06978	0.2
167.03387	3.6
169.06474	0.3
175.11137	0.2
185.04422	0.6
185.05933	0.3
186.06744	0.2
187.03862	0.7
193.12227	0.6
196.05148	0.3
197.05954	1.4
211.13277	0.3
213.05431	1.3
214.06210	0.3
221.06100	0.3
224.04575	0.3
225.05470	0.5
225.09096	0.4
241.04965	0.3
242.05719	20.5
243.06073	0.7
253.08554	0.7
257.08008	0.3
270.05206	8.1
271.05652	0.3
285.07541	100.0
285.22009	0.7
286.07913	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	285.1117
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
53.03933	1.0
53.95599	0.9
55.01873	1.3
55.05508	1.4
57.03425	1.0
59.75889	0.8
63.00019	1.5
67.05513	1.5
69.03411	3.0
70.06561	3.6
70.59310	0.8
71.04955	1.3
71.06909	2.3
71.52711	1.4
79.05470	1.3
81.03402	2.0
81.07049	1.5
82.22974	0.8
85.02890	1.2
91.05434	1.8
93.07019	1.7
95.04935	2.2
97.02873	1.3
98.98422	1.3
99.04408	2.0
99.98348	0.9
105.07002	3.1
107.04922	1.6
107.08547	1.0
109.02834	1.7
109.06481	1.9
112.07574	2.1
115.05484	1.0
118.04174	1.0
119.04940	1.3
121.02864	1.2
121.06478	1.2
123.04393	2.7
125.05947	0.8
126.87926	1.0
127.03894	2.9
129.07005	1.2
131.04866	1.1
131.69557	0.9
133.06435	2.3
135.08110	1.0
137.02283	0.9
137.05946	3.6
140.07074	1.1
146.03629	7.8
147.04321	2.5
149.05907	1.0
151.03896	1.0
153.06924	2.1
153.08998	1.0
154.07738	2.3
161.05960	23.2
162.06750	1.5
163.03853	0.9
165.06979	28.0
167.08562	1.2
178.07893	0.9
181.04959	2.0
181.06474	4.7
182.07274	10.9
183.08109	1.2
187.07431	1.4
193.04800	2.0
193.06473	25.8
194.07242	4.5
196.05368	1.2
197.09535	2.8
209.05939	2.8
210.06726	21.0
210.48776	0.9
211.07457	3.7
221.05939	27.2
222.06662	1.9
224.08344	1.0
225.09077	67.6
227.06963	3.5
237.05312	1.2
238.06238	10.6
239.07002	3.7
241.08540	1.9
253.08574	100.0
254.09192	5.3
255.06473	2.1
260.36691	0.9
267.06671	1.2
270.08719	4.9
285.04242	1.6
285.07675	4.7
285.11148	70.7
286.11420	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64198	1.8
53.01156	2.3
53.03943	1.9
55.01859	5.7
57.03423	5.1
59.53180	1.7
63.83017	1.7
68.99772	3.1
69.03423	3.4
69.92000	10.3
70.06573	6.2
71.06902	1.7
71.17548	1.7
79.05476	8.0
81.07029	2.5
87.81184	2.1
91.05463	16.8
93.03387	2.4
93.07038	2.6
95.04942	2.8
98.21461	2.6
103.05450	6.7
105.03374	4.0
105.07023	18.2
107.04940	17.7
109.06488	3.4
115.05457	4.2
118.04119	3.6
119.04937	23.9
121.06489	11.4
123.04407	5.5
123.08047	4.2
125.05980	2.9
127.03881	2.9
131.04915	3.1
133.06479	19.9
134.03552	3.2
135.04399	10.8
136.05185	5.7
137.05978	4.2
139.03889	2.0
140.04678	10.2
147.04384	6.9
149.05968	16.0
151.03862	3.6
151.07521	18.1
153.05449	100.0
161.05963	33.0
163.03856	4.3
165.05482	3.2
165.06998	3.0
167.07022	19.2
167.48715	2.1
168.07806	75.9
175.07512	4.2
177.05458	3.3
178.06195	2.6
179.07034	7.9
181.04939	3.3
181.08601	6.6
182.09430	2.1
193.08586	33.4
196.07295	75.9
200.12517	2.1
209.08018	4.2
210.06764	3.0
210.08607	2.1
211.07628	3.2
211.09645	48.8
221.05968	6.3
225.09114	6.2
249.07597	2.1
253.08548	8.2
257.12173	2.1
258.68466	2.3
267.09973	3.0
269.11874	2.0
278.39063	1.9
285.04495	1.9
285.07538	11.0
285.11224	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	285.1483
Annotation	Magnatriol B
Peak:m/z	Relative Intensity
51.56104	2.4
51.83549	2.4
55.05488	4.9
57.03420	6.0
63.10897	2.4
65.29083	2.6
67.05467	10.8
69.03403	2.5
69.30751	8.1
69.31176	19.0
71.04967	2.8
79.05468	6.0
81.03415	12.1
81.07027	10.2
83.08582	8.2
85.02872	8.2
91.05459	13.1
93.07034	4.9
95.04928	8.4
95.08585	4.7
105.06995	8.4
107.04922	3.6
107.08530	3.3
109.06507	3.1
111.08044	3.9
119.08574	5.8
121.06467	3.6
121.57583	2.5
129.06952	5.3
131.04909	2.7
131.08545	3.3
133.06400	3.2
133.10127	4.3
139.66515	2.8
141.07040	2.6
142.07664	2.5
147.07974	4.2
147.11681	6.8
151.07533	5.7
157.10010	3.1
165.06961	4.2
167.08493	4.9
171.01398	6.5
171.08014	3.5
175.11188	4.4
178.07742	4.0
179.08533	4.1
180.09232	2.6
181.04915	7.6
181.06447	4.5
182.07202	6.6
183.08072	6.4
186.06702	3.1
193.10393	2.8
193.12202	11.7
194.07251	3.0
195.08084	12.3
196.08786	10.1
197.05939	2.9
197.09677	4.9
198.06754	2.7
199.07471	2.9
207.08032	4.6
208.08705	6.0
209.09534	6.7
210.06746	4.3
211.07509	10.3
211.11203	4.4
211.13191	11.5
212.08267	4.9
213.08997	3.0
215.10535	6.7
222.10387	8.5
223.07442	7.6
223.11009	3.1
224.08276	11.0
225.09120	36.2
227.10703	16.1
229.08446	3.1
237.09248	6.0
238.09811	11.4
239.10629	38.1
240.07777	2.8
240.11302	3.3
241.08496	13.0
241.12167	3.0
242.09245	4.5
243.10088	4.3
244.10962	3.3
253.12402	12.6
254.13005	55.6
255.10162	19.0
255.12633	3.5
256.10944	5.7
257.11597	10.5
270.05026	2.7
270.12454	23.2
285.07556	10.0
285.11536	4.1
285.14737	100.0
285.17291	5.7
285.21680	3.7
285.29752	4.0
285.33270	5.1
286.15070	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.2
55.01860	7.9
55.05513	30.4
57.03431	68.9
57.91892	4.8
67.05502	51.1
69.03437	5.6
69.07055	14.2
69.22696	52.8
71.04981	12.3
79.05485	58.7
81.03410	85.0
81.07053	59.9
83.04975	22.0
83.08611	38.8
85.02899	95.9
91.04953	5.9
91.05476	53.6
93.07028	38.1
95.04961	46.1
95.08629	22.4
97.02882	8.0
97.06512	7.8
97.10116	5.6
105.07024	48.4
107.04955	9.1
107.08581	11.3
109.06512	10.3
111.04379	5.2
111.08044	19.5
112.86541	4.7
113.05994	7.5
117.06979	6.4
119.08558	31.0
121.10136	14.6
123.08037	7.0
129.06987	14.7
129.32724	5.3
131.08525	17.0
133.10069	14.6
142.31979	4.6
147.11674	27.1
149.09581	11.5
157.10097	25.4
165.12714	7.5
171.01413	6.4
175.11140	27.4
193.12234	100.0
211.13251	63.3
238.83456	4.8
285.04074	5.7
285.07507	10.7
285.10724	4.7
285.16895	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	6.4
55.05508	41.1
57.03437	58.3
57.07051	11.6
61.35995	6.0
63.51294	6.3
67.05492	51.2
69.07046	29.8
69.87840	33.1
71.04992	14.0
79.05486	47.9
81.03411	95.0
81.07034	59.9
83.04961	20.7
83.08615	39.3
85.02895	100.0
91.05465	57.8
93.07029	39.1
95.04964	38.2
95.08595	24.9
97.06522	6.7
105.07013	47.0
107.04958	8.8
107.08577	19.3
109.06522	11.5
109.10144	9.0
111.08073	22.0
119.08568	32.9
121.10109	23.0
129.06992	14.5
131.08548	13.9
133.10136	22.1
147.11719	36.8
149.09572	13.8
157.10098	25.7
165.12761	14.5
175.11133	30.0
181.04915	9.4
193.12215	95.7
211.13264	66.4
285.07623	19.4
285.16782	55.6
285.29224	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12634	1.6
53.03935	2.8
53.24130	1.7
55.01851	5.3
55.05230	2.0
55.05507	31.4
55.17476	1.5
55.81743	1.7
57.03158	2.6
57.03433	50.6
58.10741	1.9
63.14265	1.7
65.03931	2.5
67.05180	2.8
67.05500	42.7
69.03413	5.9
69.07052	10.9
69.83865	2.8
69.84283	7.1
71.04992	12.8
75.09557	2.0
79.05066	3.1
79.05485	39.1
81.03415	77.4
81.07052	55.9
83.04981	21.0
83.08154	2.7
83.08615	40.1
85.02901	100.0
85.06529	4.5
90.43978	1.6
91.05478	45.1
93.07041	30.2
95.04958	40.8
95.08049	2.9
95.08598	21.2
97.02859	3.2
97.06520	8.9
97.10132	2.5
99.08087	2.2
105.07024	37.5
107.04947	6.6
107.08582	10.0
109.06509	7.0
109.10137	7.3
111.04414	4.8
111.08076	19.3
113.05998	7.9
119.08576	27.9
121.10138	17.6
121.83823	1.6
123.08070	3.6
123.11690	6.0
129.06984	15.2
131.08572	15.0
133.06444	4.5
133.10126	19.8
135.94102	2.1
137.09583	3.3
141.11227	1.7
142.07761	4.9
145.10120	3.6
147.08028	4.3
147.11676	29.6
149.09656	10.7
152.27452	1.9
157.10129	24.7
163.11156	3.7
165.12715	6.5
175.11182	28.2
181.05011	3.1
193.12234	94.9
211.07796	1.9
211.13286	61.7
285.07602	4.4
285.16962	58.6
292.49405	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09077	2.0
53.03934	5.0
55.01864	2.6
55.05504	25.1
55.53418	1.9
57.03433	61.0
57.07054	2.8
59.04974	2.6
62.46029	1.8
64.01714	1.9
65.03934	1.9
67.05502	44.8
69.03418	5.7
69.07069	11.4
71.04990	11.9
79.05486	42.0
81.03410	100.0
81.07047	53.0
82.03726	2.5
83.04981	22.6
83.08616	38.9
85.02898	92.5
91.05472	43.6
93.07037	27.7
95.04965	44.1
95.08592	16.3
96.28732	1.8
97.02898	3.7
97.06522	7.2
97.10137	4.9
98.20748	3.1
99.08098	2.4
103.05476	2.1
105.07026	34.6
107.04949	7.3
107.08595	10.0
107.09203	2.1
109.06519	9.1
109.10124	5.8
111.04423	4.8
111.08073	20.7
113.05985	4.6
117.07068	2.5
119.08568	34.7
121.10131	15.1
123.08085	4.3
123.11674	5.1
125.06091	2.3
129.06990	14.7
130.63559	2.2
131.08568	14.6
131.67273	2.3
133.06477	4.7
133.10118	14.0
137.09599	3.7
137.34317	2.7
142.07735	4.5
145.10028	2.5
147.08040	5.6
147.11668	30.1
149.09612	12.4
157.10112	21.3
163.11212	2.5
165.12688	5.5
171.01453	3.9
175.11177	27.2
181.04971	2.2
193.12228	95.2
193.39873	1.8
201.09177	3.8
211.13266	71.9
215.10640	4.4
225.09097	2.0
227.85542	2.1
229.14253	2.0
285.07571	6.3
285.11191	3.3
285.16898	53.9
285.33203	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.0
55.01867	4.7
55.05503	33.7
57.03146	4.1
57.03427	55.3
57.07064	4.6
57.75134	2.3
59.05000	1.6
65.03941	2.6
67.05499	42.1
69.03413	6.0
69.07066	11.2
69.58499	1.8
71.04980	11.2
71.52524	3.8
78.49938	1.9
79.05487	38.6
80.05836	1.8
80.67348	1.9
81.03410	100.0
81.07046	48.7
83.04968	23.4
83.08610	38.5
83.51028	1.8
85.02895	95.8
85.06541	6.5
91.04901	3.0
91.05467	52.0
93.07039	25.8
95.04955	52.2
95.08596	22.7
97.02880	3.3
97.06514	7.6
97.10172	4.7
105.07024	41.6
105.07690	1.8
107.04955	6.1
107.08578	14.5
109.06511	6.2
109.10173	6.0
111.04430	3.4
111.08057	19.1
113.05989	8.8
115.05476	2.8
117.06980	2.5
119.08562	33.3
121.10113	16.2
123.08054	5.4
123.11718	4.6
124.74337	1.9
128.45854	1.9
129.06985	15.6
131.08559	15.6
133.06497	3.1
133.10095	15.8
135.04401	9.1
135.08112	2.1
137.05940	2.2
137.09627	3.4
142.07750	5.8
145.10118	5.3
147.08031	4.9
147.11664	27.2
149.08559	2.1
149.09570	9.3
155.08554	3.9
157.10080	20.1
165.12766	5.8
172.08784	3.6
175.11186	28.4
181.04932	4.4
187.14810	3.2
193.12218	95.6
194.12573	3.2
197.09680	2.3
200.08322	7.8
201.09087	5.5
211.11191	4.6
211.13257	65.3
215.10648	53.5
225.09192	2.3
229.12288	3.7
253.08527	3.4
253.15945	2.8
285.07648	7.1
285.11264	10.7
285.16690	44.2
285.22183	8.5
286.11884	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01868	5.3
55.05508	31.0
57.03157	3.3
57.03435	62.7
57.07065	2.1
63.00042	2.3
64.70063	1.8
65.03924	2.5
67.05498	44.8
69.03411	8.5
69.07068	13.9
71.04985	15.2
73.77551	2.0
79.05482	45.9
81.03415	97.8
81.07050	52.8
81.24041	1.9
83.04974	24.2
83.08609	32.8
85.02900	100.0
85.06522	3.3
91.05471	56.3
93.07034	30.2
95.04964	48.0
95.08597	22.9
97.02875	5.0
97.06519	8.6
97.10163	4.8
98.20696	4.6
99.04465	2.2
99.08057	2.2
99.24697	2.2
103.05450	2.4
104.76542	1.8
105.07024	43.3
107.04938	7.5
107.08594	12.7
109.06528	11.9
109.10165	6.2
111.04417	3.0
111.08074	20.4
113.05991	6.8
115.05463	2.8
117.07003	2.2
119.08571	34.1
121.06522	1.9
121.10127	21.5
123.08017	4.4
123.11657	3.0
125.09599	2.3
129.06992	15.1
131.08565	19.7
133.06450	4.4
133.10146	15.5
135.11665	2.4
142.07765	5.5
145.10141	2.8
147.08047	6.2
147.11690	27.3
149.09648	9.9
157.10126	20.4
159.11681	2.6
165.07021	2.4
165.12726	7.1
173.05826	2.4
175.11179	30.9
181.04979	12.9
181.06329	2.0
193.12234	98.9
211.07443	2.1
211.13263	62.2
225.09068	3.3
242.09109	2.1
242.76971	2.6
253.06216	2.1
253.08670	6.4
285.04547	2.0
285.07581	9.6
285.11157	9.4
285.16949	54.6
285.21881	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
55.01855	13.7
55.05504	39.1
57.03442	22.3
57.07062	17.0
61.02910	13.6
64.21539	3.7
65.03921	7.0
67.05244	3.2
67.05506	43.7
69.03426	34.6
69.07072	30.0
70.97559	8.2
71.01354	6.7
71.04993	52.8
73.02912	35.1
73.06551	5.0
79.05492	35.0
81.03415	26.5
81.07048	74.4
83.04976	22.5
83.08617	20.7
85.02901	23.6
85.06529	7.7
87.04436	7.1
87.11833	3.8
88.14323	4.4
91.05471	38.6
93.07037	62.7
95.04977	27.2
95.08605	48.7
97.02880	15.4
97.06531	13.7
103.03939	21.2
105.07030	62.3
107.04947	11.2
107.08587	48.6
109.02856	4.9
109.06506	75.1
109.10146	50.9
111.04435	36.1
111.08050	11.0
115.03902	8.3
115.05468	6.1
117.06988	12.4
119.08572	45.6
121.06483	21.3
121.10146	34.8
123.04399	9.6
123.08059	35.8
123.11697	12.1
125.06011	6.7
127.11189	14.7
128.06241	5.7
129.05496	7.0
129.06979	6.8
131.08542	26.6
133.06488	8.8
133.10114	34.1
135.08064	14.6
135.11702	23.8
137.05971	8.7
137.09630	33.4
137.13246	6.8
139.11198	18.2
143.08510	12.8
145.06511	8.9
145.10139	10.4
146.03667	4.4
147.08041	16.0
147.11694	19.1
149.09599	11.4
149.13222	21.1
151.07513	7.4
151.11182	15.9
152.06215	4.4
153.09120	6.1
153.12688	9.0
154.07730	6.1
157.10078	11.0
159.06664	5.4
159.08038	18.1
159.11716	12.0
161.05986	16.6
161.09573	24.4
161.13251	5.9
163.07599	4.4
163.11185	22.3
165.07001	28.8
165.12729	39.3
167.14401	5.0
171.11647	9.8
173.02223	3.6
173.05954	7.8
175.07344	4.6
175.11183	7.3
177.12750	34.1
179.08572	6.3
179.14342	5.6
181.04955	7.7
181.06438	8.2
181.12234	8.7
182.07234	14.4
183.04263	4.2
185.13184	5.0
187.11105	5.0
189.12749	12.2
189.16379	7.2
193.06479	19.6
193.12195	9.2
195.13824	16.6
197.09633	4.8
199.07553	5.5
200.04865	3.9
201.05499	8.1
203.14378	5.0
207.06529	9.2
207.13895	5.4
209.05920	5.0
210.06715	19.6
211.07436	8.1
213.12839	7.8
219.13815	11.2
221.05951	24.5
225.09094	40.0
227.06956	7.3
229.04950	37.1
230.05174	4.4
231.13774	37.0
238.06238	5.8
239.06842	6.3
241.77776	4.1
245.10135	3.7
249.14854	20.1
253.08546	50.5
254.09247	6.4
255.06442	6.4
257.04456	22.1
257.07996	4.2
267.10065	16.2
267.15955	21.1
270.08768	4.0
285.03903	100.0
285.07538	13.6
285.11050	64.2
285.16876	60.6
286.04266	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09343	1.1
55.01863	3.2
55.05510	9.4
57.03434	6.4
57.07052	2.0
59.04984	1.8
61.02912	2.6
65.03930	3.7
65.67336	1.0
65.73838	1.0
67.05494	12.4
69.03420	14.8
69.07065	17.9
70.06551	1.5
71.04995	1.5
71.52315	1.2
71.52672	1.9
75.95419	0.9
79.05476	7.9
81.03395	3.7
81.07046	14.8
81.15100	1.2
83.04971	42.7
83.08614	2.8
85.02889	11.1
85.06528	3.1
87.04465	6.8
91.03961	1.5
91.05497	8.3
93.07030	12.8
95.04958	100.0
95.08603	9.8
95.87099	1.2
97.02867	7.8
97.06518	13.2
99.04434	2.2
99.08071	4.5
101.90559	1.0
103.05398	1.1
105.07045	9.8
106.41143	1.1
107.04935	2.4
107.08584	12.8
109.02900	1.3
109.06535	6.7
109.10146	8.0
111.04430	3.3
111.08038	2.7
115.03912	5.4
117.06981	2.1
119.04846	2.8
119.08543	8.7
121.02865	3.2
121.06476	3.5
121.10139	8.2
123.04423	4.2
123.08034	4.7
123.11681	3.9
124.01495	1.8
125.05950	2.0
125.09620	2.2
127.03872	1.3
128.06204	1.1
131.04924	1.6
131.08536	3.2
133.04935	5.1
133.06413	1.4
133.10110	4.5
135.07999	3.4
135.11647	4.2
137.06001	1.3
137.09625	2.8
139.07520	2.1
139.11177	2.4
143.08563	1.8
145.10091	3.1
146.03564	1.5
147.08040	2.5
147.11639	2.9
149.09688	1.3
149.13228	3.7
151.07487	1.8
151.11177	12.3
153.12724	11.9
157.10088	2.3
159.06467	1.5
159.07925	1.6
159.11664	2.9
161.05969	5.3
161.09444	1.2
163.11174	2.5
165.06999	8.2
165.12755	1.6
167.03363	1.6
167.10672	1.6
171.11649	1.5
175.07646	1.4
175.11133	1.4
177.12712	3.3
179.08539	1.6
181.04883	1.8
181.06369	1.4
182.07253	2.7
185.11636	1.6
185.13181	1.6
187.21262	1.3
193.06454	4.9
193.12236	2.3
197.05910	1.7
201.12788	2.2
210.06737	4.7
211.07515	2.3
213.12778	1.3
219.13835	3.0
221.05968	6.2
225.09050	12.7
227.07062	1.4
231.13753	3.4
237.14798	1.7
238.06256	1.9
239.07126	1.8
242.05669	13.8
249.14909	3.5
252.07907	1.1
253.08607	18.9
254.09261	1.5
255.06334	1.9
257.08032	1.2
267.15845	6.6
270.05185	7.6
270.08887	1.4
285.07526	70.7
285.11139	18.4
285.16833	13.3
285.22000	3.0
286.07834	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.3
53.04179	1.2
55.01859	3.6
55.05270	2.4
55.05504	30.1
57.03431	58.9
59.04976	1.8
64.49723	1.4
67.05495	45.7
69.03417	8.3
69.07056	13.5
69.19848	3.7
69.20255	12.4
71.04978	12.8
74.09698	1.4
79.05482	39.1
81.03409	93.4
81.07044	54.7
82.03769	1.5
82.07372	1.5
83.04974	19.7
83.08611	37.6
85.02894	94.9
85.06524	5.6
86.93086	1.4
87.04429	2.0
88.07639	2.4
91.04902	2.5
91.05469	49.0
93.06480	2.3
93.07029	32.3
95.04957	45.1
95.08594	22.9
97.02864	5.0
97.06514	9.6
97.10143	3.8
98.20698	2.7
99.08063	2.6
105.07019	38.7
107.04975	7.6
107.08578	14.8
109.06507	5.2
109.10165	7.8
110.73001	1.3
111.04414	4.5
111.08067	21.6
113.05994	8.9
115.05432	3.1
117.07026	3.4
119.04868	1.5
119.08565	37.2
121.06512	2.3
121.10126	20.6
123.08034	4.8
123.11684	4.7
129.06989	13.3
131.04880	1.5
131.08531	13.0
133.06454	4.5
133.10120	16.7
135.11636	2.1
137.05995	2.1
137.09573	2.7
142.07755	3.4
143.08557	1.5
145.10068	4.8
146.03506	1.7
147.08026	5.0
147.11659	28.5
149.09602	12.2
153.07016	1.4
157.10109	23.3
161.05975	6.5
165.07019	8.2
165.12753	5.6
175.09767	2.4
175.11172	33.0
182.07172	4.1
187.14767	1.8
193.06468	5.8
193.12215	100.0
194.12511	1.8
210.06624	7.1
211.07564	1.7
211.13261	74.4
221.05957	10.7
225.09114	16.7
236.79359	1.4
238.06218	3.2
253.08559	32.1
254.09177	3.3
267.21341	2.6
267.24377	3.9
270.08786	2.6
285.07535	5.7
285.11191	17.7
285.16916	59.0
285.21976	4.6
285.25079	10.9
286.17029	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.6
55.01851	9.4
55.05507	32.5
56.96555	4.3
57.03431	36.6
61.02899	6.1
63.10980	3.7
65.03947	4.4
67.05230	3.4
67.05502	41.0
68.99792	8.1
69.03402	12.7
69.07051	17.0
70.06571	5.2
70.81598	6.5
70.81943	7.0
71.04981	20.0
71.06895	4.5
73.02903	10.6
79.05128	3.6
79.05485	40.0
81.03407	100.0
81.07043	47.3
83.04965	18.3
83.08600	25.4
85.02890	59.5
85.06519	5.4
87.04436	4.5
91.05459	46.1
93.07032	42.0
95.04953	46.6
95.08602	29.9
97.02884	10.3
97.06520	12.7
99.04445	6.9
99.08096	6.2
103.03925	5.5
103.05452	3.9
105.07020	47.8
107.04938	20.4
107.08578	26.2
108.05257	6.4
109.06483	14.9
109.10129	13.6
111.04417	9.0
111.08094	19.6
112.07565	4.8
113.05984	5.5
113.07950	4.1
115.03941	3.9
115.05438	8.7
119.04899	5.4
119.08559	40.4
121.02840	14.0
121.06471	8.9
121.10115	21.6
123.04420	8.6
123.08037	9.6
123.11681	10.2
129.06973	14.8
131.04933	8.7
131.08542	17.4
133.06445	10.7
133.10117	18.9
135.08069	6.6
135.11678	12.9
137.05914	9.1
137.09547	8.3
141.07005	5.2
142.07806	5.4
143.08571	6.2
145.06477	8.6
145.10165	8.3
146.03664	5.9
147.04399	4.4
147.08018	11.5
147.11673	31.3
149.05983	5.1
149.09604	12.0
151.11201	4.7
153.07063	5.4
157.10155	20.7
159.07962	9.5
159.11644	9.0
161.05933	21.7
161.09647	5.5
163.11177	7.4
165.06978	23.1
165.12720	21.7
173.05920	7.5
173.09547	4.0
175.11148	29.5
176.72099	3.6
177.09125	4.4
181.04971	10.8
181.06415	7.3
182.07227	7.4
183.04297	4.7
193.06450	17.9
193.08374	4.2
193.12215	80.7
195.07845	4.8
201.05472	8.8
209.06055	5.1
210.06766	17.8
211.07513	5.5
211.13223	37.2
221.05930	19.3
225.09064	24.4
227.07016	7.5
229.05022	33.2
231.13799	6.9
238.06233	5.9
249.14894	5.7
253.08554	44.5
254.09142	5.1
255.06479	5.9
257.04425	41.9
267.10172	8.8
267.15887	16.5
268.10486	4.3
270.08786	8.1
285.03906	81.9
285.07581	15.4
285.10928	48.5
285.16861	42.3
286.04578	12.7
287.05362	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03937	5.7
54.64938	2.4
55.01870	8.5
55.05502	30.7
56.91096	2.8
57.03434	58.2
57.07050	2.9
59.04984	2.9
65.03926	4.2
67.05501	48.4
69.03426	9.5
69.07057	13.0
70.81680	7.3
71.04999	13.2
73.02905	2.7
79.05486	42.6
81.03412	100.0
81.07052	61.4
83.04985	22.1
83.08610	35.6
85.02896	88.7
85.06513	6.3
91.04912	4.5
91.05473	60.3
93.07032	32.0
95.04958	48.8
95.08578	22.7
97.02901	4.5
97.06528	9.7
97.10180	4.9
101.06016	2.6
105.07027	37.2
107.04938	13.3
107.08588	14.3
107.45289	2.6
109.06515	10.0
109.10153	6.6
111.04427	7.2
111.08062	18.9
113.05974	7.2
117.07013	3.0
119.08578	28.3
121.06519	5.2
121.10124	20.7
121.66113	2.3
123.08067	11.6
123.11672	4.0
125.05935	2.9
129.07004	17.6
131.08589	16.6
133.06525	5.2
133.10144	19.0
137.09631	4.1
142.07764	7.5
147.08012	6.0
147.11670	30.2
149.09573	13.9
151.11102	3.0
157.10117	26.3
161.06003	5.0
165.07019	6.3
165.12758	4.8
175.11186	26.5
182.07306	3.1
193.06429	3.4
193.12231	90.6
210.06714	3.6
211.13280	62.6
211.15276	4.6
221.05989	5.3
225.09065	14.6
249.14842	3.2
253.08542	16.5
267.15964	4.1
268.10526	2.9
285.04007	3.8
285.07892	4.2
285.10974	17.6
285.16916	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
55.01855	13.7
55.05504	39.1
57.03442	22.3
57.07062	17.0
61.02910	13.6
64.21539	3.7
65.03921	7.0
67.05244	3.2
67.05506	43.7
69.03426	34.6
69.07072	30.0
70.97559	8.2
71.01354	6.7
71.04993	52.8
73.02912	35.1
73.06551	5.0
79.05492	35.0
81.03415	26.5
81.07048	74.4
83.04976	22.5
83.08617	20.7
85.02901	23.6
85.06529	7.7
87.04436	7.1
87.11833	3.8
88.14323	4.4
91.05471	38.6
93.07037	62.7
95.04977	27.2
95.08605	48.7
97.02880	15.4
97.06531	13.7
103.03939	21.2
105.07030	62.3
107.04947	11.2
107.08587	48.6
109.02856	4.9
109.06506	75.1
109.10146	50.9
111.04435	36.1
111.08050	11.0
115.03902	8.3
115.05468	6.1
117.06988	12.4
119.08572	45.6
121.06483	21.3
121.10146	34.8
123.04399	9.6
123.08059	35.8
123.11697	12.1
125.06011	6.7
127.11189	14.7
128.06241	5.7
129.05496	7.0
129.06979	6.8
131.08542	26.6
133.06488	8.8
133.10114	34.1
135.08064	14.6
135.11702	23.8
137.05971	8.7
137.09630	33.4
137.13246	6.8
139.11198	18.2
143.08510	12.8
145.06511	8.9
145.10139	10.4
146.03667	4.4
147.08041	16.0
147.11694	19.1
149.09599	11.4
149.13222	21.1
151.07513	7.4
151.11182	15.9
152.06215	4.4
153.09120	6.1
153.12688	9.0
154.07730	6.1
157.10078	11.0
159.06664	5.4
159.08038	18.1
159.11716	12.0
161.05986	16.6
161.09573	24.4
161.13251	5.9
163.07599	4.4
163.11185	22.3
165.07001	28.8
165.12729	39.3
167.14401	5.0
171.11647	9.8
173.02223	3.6
173.05954	7.8
175.07344	4.6
175.11183	7.3
177.12750	34.1
179.08572	6.3
179.14342	5.6
181.04955	7.7
181.06438	8.2
181.12234	8.7
182.07234	14.4
183.04263	4.2
185.13184	5.0
187.11105	5.0
189.12749	12.2
189.16379	7.2
193.06479	19.6
193.12195	9.2
195.13824	16.6
197.09633	4.8
199.07553	5.5
200.04865	3.9
201.05499	8.1
203.14378	5.0
207.06529	9.2
207.13895	5.4
209.05920	5.0
210.06715	19.6
211.07436	8.1
213.12839	7.8
219.13815	11.2
221.05951	24.5
225.09094	40.0
227.06956	7.3
229.04950	37.1
230.05174	4.4
231.13774	37.0
238.06238	5.8
239.06842	6.3
241.77776	4.1
245.10135	3.7
249.14854	20.1
253.08546	50.5
254.09247	6.4
255.06442	6.4
257.04456	22.1
257.07996	4.2
267.10065	16.2
267.15955	21.1
270.08768	4.0
285.03903	100.0
285.07538	13.6
285.11050	64.2
285.16876	60.6
286.04266	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47094	1.0
50.57542	0.9
53.03938	2.7
55.01860	3.7
55.05506	19.7
57.03431	20.9
57.07064	1.7
65.03931	2.0
65.23875	1.1
67.05499	40.2
69.03419	4.8
69.07063	23.9
70.06575	3.5
71.04982	7.5
71.06890	1.6
71.52302	1.4
79.05483	24.3
79.05918	2.4
81.03418	5.7
81.07050	100.0
83.04974	11.4
83.08608	10.0
85.02885	2.7
85.06532	7.3
91.05475	28.3
93.07037	20.9
95.04980	6.0
95.08600	28.3
97.06515	10.4
99.04427	1.5
99.08089	6.6
101.06039	1.2
103.05463	1.9
105.07022	42.5
107.04940	3.2
107.08586	19.7
109.02907	1.5
109.06520	7.5
109.10146	6.2
111.04449	1.3
112.07601	1.9
113.06004	1.5
113.07968	1.7
115.05445	2.5
117.06988	1.8
118.34833	1.1
119.08573	32.6
121.06499	2.1
121.09322	2.3
121.10135	27.0
122.57638	1.1
123.04420	4.8
123.08056	5.2
123.11694	31.1
127.03912	2.0
127.07567	2.8
129.07010	3.4
131.04965	1.5
131.08559	5.2
133.06476	1.5
133.10115	7.2
135.11659	3.3
137.05951	2.2
137.09650	1.3
137.13263	1.4
139.11121	1.7
141.06998	1.3
141.09099	2.2
143.08565	2.7
145.10088	5.8
146.03630	3.8
147.04378	3.0
147.08089	1.7
147.11676	77.8
147.58432	1.1
148.12064	2.7
149.05952	1.5
149.09564	1.5
149.13260	2.2
151.03905	1.7
151.07483	1.7
151.11143	2.3
153.07013	1.2
154.07712	1.6
155.08508	1.9
157.10088	6.4
159.11710	4.6
161.05971	8.0
161.13243	1.5
163.03908	1.9
165.07024	13.8
165.12758	33.6
167.08519	1.7
169.10133	1.3
171.08052	1.3
173.09613	1.3
173.13196	1.7
175.11208	4.0
177.12700	1.3
179.08553	2.9
181.04970	2.4
181.06537	4.9
182.07219	5.6
183.11787	1.6
183.13814	4.5
185.13234	1.8
187.14841	2.6
189.05443	1.6
189.09148	1.3
189.12903	1.5
193.06467	9.8
193.12222	3.6
194.07111	2.4
197.05962	1.6
197.09572	2.3
197.13271	1.3
199.14690	2.0
209.05988	1.2
210.06726	12.0
211.07486	4.5
211.14850	2.3
221.05997	11.8
225.05510	1.3
225.09084	20.5
225.16362	1.9
227.07126	2.4
229.05164	1.1
229.14328	5.4
238.06236	3.4
239.07076	1.6
253.08574	34.0
254.09164	2.3
257.08212	1.4
267.10172	2.7
267.15829	3.6
267.21127	2.9
270.08798	3.5
285.07611	16.2
285.11240	31.1
285.16989	42.4
285.21835	9.2
286.11676	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.0
55.01868	9.3
55.05506	29.3
57.03433	46.0
57.07074	26.7
63.00027	2.1
65.03927	3.5
67.05175	2.6
67.05501	42.9
67.39990	2.1
69.03400	7.1
69.07065	22.7
71.04991	12.1
79.05065	2.9
79.05488	44.3
81.03412	84.0
81.06580	3.8
81.07049	74.9
83.04972	19.4
83.08613	34.0
83.69726	2.1
85.02899	74.2
85.06539	20.3
91.05476	63.0
93.07038	38.2
93.48306	2.1
95.04965	42.6
95.08607	25.7
97.02882	4.2
97.06502	9.0
97.10136	3.7
98.98473	2.4
103.05424	2.8
105.07025	50.4
107.04953	9.5
107.08583	19.1
107.95289	2.0
109.06511	12.2
109.10149	9.3
111.04404	4.5
111.08054	15.1
113.05978	5.1
115.05435	4.8
117.06992	4.3
119.04926	8.6
119.07804	2.8
119.08581	40.3
121.06496	6.5
121.10149	21.5
123.04431	4.1
123.08042	5.4
123.11658	8.1
128.06158	4.5
129.06995	16.4
131.04834	2.1
131.08568	23.0
132.38409	2.2
133.06490	5.7
133.10135	23.0
135.08020	2.3
135.11650	4.4
137.05904	5.9
137.09592	13.2
141.06949	7.8
142.07726	6.5
143.08499	8.5
144.78423	2.2
145.06564	2.1
145.10126	13.4
147.08014	7.0
147.11684	33.7
149.05891	3.1
149.09560	8.3
151.07518	4.3
151.11124	6.0
152.06255	2.3
153.06981	19.0
155.08536	17.4
157.06467	2.5
157.10127	27.5
159.11710	12.0
161.05972	9.5
161.09593	6.0
161.13190	5.9
163.11095	3.8
165.06990	58.5
165.12683	6.4
168.05623	2.9
169.06467	2.4
169.10097	6.7
171.11656	6.2
172.08809	3.7
173.13231	4.9
175.11174	24.9
175.14743	2.8
181.04922	7.5
181.06474	10.2
182.07245	10.8
183.08047	24.9
183.11647	3.8
185.05943	3.5
185.13229	15.0
187.11064	3.3
187.14734	3.9
191.14224	5.4
193.06435	22.7
193.12230	71.8
196.05176	4.3
197.05882	6.0
197.09479	2.9
197.13353	3.4
199.07483	4.0
199.14726	4.7
200.08292	4.2
201.09082	3.2
201.12720	2.8
201.16396	4.8
203.14246	5.5
205.15773	3.0
207.04402	3.8
209.05864	3.3
210.06738	15.5
211.07561	38.6
211.11313	4.3
211.13226	58.6
211.14743	3.9
212.08307	3.9
215.10678	3.3
215.14328	4.2
217.15901	11.6
221.05937	22.7
225.09058	38.7
225.16351	3.3
227.06947	5.5
228.07777	3.2
229.15823	4.7
238.06166	4.5
239.06898	8.1
239.10669	2.3
241.08482	2.9
242.09247	6.0
243.10129	5.8
253.08580	54.0
254.09219	6.0
267.20950	6.8
270.08670	5.6
271.09634	59.2
285.04599	2.9
285.07507	17.0
285.11096	35.8
285.17041	42.6
285.22031	64.4
285.25302	3.2
286.11981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.8
55.01868	8.9
55.05510	21.7
55.42949	1.6
57.03435	39.8
59.05001	2.3
60.89287	1.4
61.02917	2.2
63.34351	1.5
65.03925	3.6
67.05180	2.4
67.05502	36.8
69.03423	15.9
69.07073	9.6
70.06589	3.2
70.83543	2.8
70.83891	2.5
71.04987	12.2
71.85968	1.4
79.05489	28.4
81.02921	3.2
81.03413	79.9
81.07050	44.2
83.04971	16.2
83.08617	27.1
85.02899	100.0
85.06536	3.7
87.04440	2.9
91.03956	3.2
91.05470	38.6
93.07037	19.1
95.04956	32.9
95.08611	18.0
97.02902	13.5
97.06526	7.6
97.10187	2.8
99.04440	3.9
99.08071	2.6
101.02393	1.7
103.05474	4.3
105.07028	32.4
107.04961	21.8
107.08578	10.4
109.02879	5.4
109.06509	7.3
109.10150	6.6
111.04424	5.6
111.08070	15.4
113.05988	5.0
113.07946	1.9
115.05469	5.3
117.06976	4.9
119.04883	1.9
119.08575	27.7
121.02872	2.6
121.06466	3.7
121.10129	14.8
123.03564	1.6
123.04435	4.2
123.08050	6.8
123.11685	1.9
127.03905	10.8
128.06259	2.3
129.06989	15.8
131.08577	13.7
133.06453	4.3
133.10080	11.1
137.05977	3.2
137.09595	2.7
141.85162	1.7
142.07777	4.8
143.04912	2.8
145.04956	7.4
145.10118	2.0
146.03555	2.6
147.08072	4.8
147.11693	20.7
149.09610	5.9
149.13324	1.8
153.06953	2.6
154.07695	2.1
155.08565	2.7
157.10118	15.8
161.05934	8.9
165.01836	5.8
165.06972	11.4
165.12723	4.3
173.06023	2.2
175.11169	20.5
181.04907	3.7
181.06461	3.8
182.07225	5.6
183.02878	4.5
183.08081	2.1
193.06494	8.4
193.12239	64.2
201.05457	3.4
210.06760	5.7
211.13287	40.2
211.15265	3.1
213.05353	2.5
221.05893	8.4
222.23267	1.9
225.08994	11.4
229.04892	8.3
238.06235	3.3
239.07220	1.9
253.08557	21.5
253.32626	1.8
254.09016	2.4
257.04459	4.6
257.64273	1.8
267.10257	4.7
267.15918	5.3
269.11755	3.6
274.74420	1.8
285.04083	24.2
285.07635	9.0
285.11057	22.6
285.16940	36.2
286.14319	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	285.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	76.4
57.03442	13.5
57.07063	35.4
67.05502	63.1
68.26707	8.4
69.07056	89.2
69.35559	84.3
71.08611	17.8
76.67933	9.5
79.05489	44.2
81.03387	18.3
81.07056	100.0
83.04951	17.9
83.08617	81.5
91.05480	46.9
93.07047	38.6
95.04936	9.8
95.08599	81.8
97.06558	14.3
97.10163	65.7
98.20753	16.4
103.37798	8.5
105.07022	45.6
107.08569	30.8
109.10147	47.2
111.11726	17.5
119.08568	47.8
121.10167	35.7
122.40491	9.1
123.07986	10.1
123.11669	12.4
129.06990	9.0
131.08603	9.4
133.10114	47.3
135.11693	19.8
137.09593	14.6
145.10144	10.1
146.29080	7.7
147.11668	33.5
149.13229	10.3
151.11194	18.2
161.13261	24.2
165.12794	11.6
175.14809	17.3
181.04944	28.6
193.12228	22.6
207.21040	13.2
211.13202	17.0
231.21039	77.0
249.22142	29.6
253.08623	17.4
285.04541	10.3
285.07587	55.3
285.11099	34.1
285.14429	14.6
285.17465	16.5
285.21878	15.0
285.33426	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.8
55.01860	4.0
55.05506	36.0
57.03431	39.6
57.07052	16.2
62.99998	4.2
67.05502	45.9
69.03416	9.9
69.07063	44.6
69.36988	7.8
69.37411	27.9
71.04976	12.1
71.08608	11.0
79.05486	32.5
81.03410	68.9
81.07048	90.8
83.04962	15.2
83.08607	54.8
85.02895	65.4
85.06522	6.6
85.10188	5.1
91.05489	33.6
93.07040	25.4
95.04972	32.4
95.08601	64.1
97.02835	7.1
97.06487	7.2
97.10165	23.3
98.21455	6.4
98.98471	4.1
103.05421	4.1
105.07021	37.1
106.75050	3.6
107.04937	10.1
107.08592	21.4
107.09176	3.7
109.06532	6.4
109.10147	40.7
111.08067	14.9
111.11707	18.4
112.84740	3.5
113.05984	5.7
119.08559	26.6
121.06487	5.4
121.10112	18.0
123.11689	23.0
125.13230	3.7
127.11189	3.9
128.06230	3.6
129.06982	9.9
131.04924	4.8
131.08531	14.3
133.06485	4.8
133.10158	17.8
137.05983	8.3
137.09636	5.0
137.13225	14.3
143.08566	7.3
145.10123	12.9
145.62209	4.3
146.03517	5.1
147.11661	19.8
148.33908	3.7
149.09619	4.6
153.06938	8.4
154.07712	4.2
157.10077	18.1
159.11652	6.6
161.05994	22.5
161.13219	5.4
165.06987	31.4
165.12698	6.8
167.08449	4.9
175.11177	22.8
179.08549	5.8
179.17911	4.7
181.04945	6.9
181.06448	12.6
181.10080	3.8
182.07220	12.9
183.07961	5.8
185.13275	6.4
193.06468	29.3
193.12221	76.1
210.06761	21.7
211.07492	14.4
211.13219	50.0
211.14917	5.3
216.42256	4.1
221.06000	31.8
222.06764	4.7
225.09099	52.1
226.09534	5.0
227.06924	4.6
238.06241	7.6
239.06926	9.7
242.09033	4.2
249.25650	6.9
253.08591	100.0
254.08984	15.0
255.06216	4.6
267.26816	5.6
270.08881	10.4
285.07562	17.9
285.11139	66.3
285.16931	38.6
285.21866	21.6
285.25085	6.8
286.11813	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	285.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.05505	42.3
57.03187	5.5
57.03429	57.9
57.07059	9.8
65.03925	5.2
67.05497	61.5
69.03408	5.4
69.07061	43.1
70.56070	11.5
71.04971	13.6
71.08611	7.4
79.05482	40.0
81.03413	79.5
81.07050	79.6
83.04973	20.1
83.08612	53.3
85.02893	100.0
85.06549	8.4
85.10225	4.0
91.05476	53.2
92.86486	3.7
93.07029	38.1
95.04973	36.0
95.08609	58.5
97.02850	6.3
97.06544	4.9
97.10140	17.9
105.07035	39.9
107.04916	10.4
107.08582	18.9
109.06509	7.6
109.10166	27.6
111.08056	17.9
111.11664	6.7
113.06006	10.3
117.07025	4.5
119.08566	33.7
121.06573	6.1
121.10161	9.2
123.08078	6.5
123.11674	16.4
129.06996	14.1
129.98544	4.0
131.08553	16.9
133.10118	16.2
137.09555	3.9
137.13347	5.8
147.08003	5.2
147.11668	24.7
149.09613	10.2
157.10136	21.9
165.06961	5.8
165.12747	7.3
171.01395	7.7
174.87123	4.5
175.11107	25.5
181.04915	14.6
183.08005	5.0
193.12204	78.2
205.28809	4.1
211.07564	6.8
211.13248	54.2
215.10567	8.1
222.37416	4.8
225.09097	13.6
239.10649	5.4
253.08655	8.4
254.13145	10.6
271.09634	7.6
285.07526	16.2
285.11078	11.0
285.14413	9.6
285.17130	35.0
285.33582	8.5
286.11926	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	286.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68373	0.2
55.01865	1.6
57.07046	1.0
58.07360	0.3
65.03913	0.5
65.89648	0.3
67.05465	0.5
69.07030	0.3
70.37213	0.3
77.01835	0.3
79.05501	0.6
81.03381	0.6
81.07019	1.2
82.07372	0.7
85.02883	0.7
85.06505	0.8
86.09673	0.3
87.01819	0.3
91.05472	5.3
92.05775	0.3
93.07007	0.6
94.07348	0.4
95.04952	1.5
95.08590	0.8
103.05447	0.4
105.06995	0.9
106.07347	0.4
107.04929	1.2
109.10165	0.4
115.05446	0.7
118.04090	0.4
118.97939	0.3
119.04936	4.3
119.08550	0.6
120.08889	0.4
121.02862	1.0
121.06452	1.1
123.04469	0.3
123.15332	0.3
129.06943	0.4
133.10095	0.4
134.03641	0.6
135.04396	0.4
137.05978	2.5
137.69720	0.3
141.06963	2.0
145.06442	0.5
147.11752	0.4
148.05138	0.4
149.05948	1.2
150.06685	0.7
151.03920	0.3
152.06177	1.0
153.01842	0.6
153.06979	8.1
154.07703	1.0
155.07399	0.6
155.08556	6.5
155.10556	0.6
156.08990	0.4
157.06503	0.6
165.06996	24.4
166.07341	1.5
167.08517	0.7
168.05684	2.6
169.06416	1.2
170.07225	0.8
174.06758	0.3
177.06964	0.4
179.04781	0.3
179.08493	0.5
181.06459	6.2
182.07251	3.6
183.08046	18.6
184.08406	0.6
184.11969	0.4
185.06052	1.4
186.13612	0.8
187.07474	0.3
193.06326	5.1
193.07980	0.5
194.07124	1.1
195.07979	1.1
196.05200	2.3
197.05984	2.3
197.09489	0.5
198.06706	1.0
199.07544	1.0
200.08295	1.8
200.15346	0.3
207.04393	2.1
209.05981	0.9
210.06750	2.8
211.07524	19.1
212.08275	3.3
213.05464	1.3
213.09074	1.0
215.10614	0.7
221.05917	5.4
222.06526	0.8
225.09097	5.2
226.06149	0.4
226.09511	0.7
227.06967	0.7
228.07762	2.7
230.16251	0.4
238.06174	0.4
239.07021	3.6
240.07710	0.8
241.08678	0.4
242.09351	2.4
243.10243	2.5
253.08562	2.3
254.08948	1.0
256.07251	0.6
257.08017	0.6
270.08859	0.4
271.09628	39.9
272.09860	1.6
286.11975	100.0
286.22375	3.8
287.05478	5.7
287.08649	0.4
287.09286	0.4
287.12274	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	286.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.2
57.07053	0.3
59.35867	0.3
67.05483	0.5
69.07029	0.6
70.93223	0.8
75.50602	0.3
77.19319	0.3
81.07030	0.7
91.05477	6.5
93.07044	0.8
95.04912	1.3
97.02908	0.3
103.05397	0.4
105.06998	0.7
107.04951	1.8
107.08568	0.4
115.05405	1.0
117.03310	0.4
118.04118	0.7
119.04938	5.5
121.02814	0.9
121.05784	0.4
121.06496	4.1
123.04399	0.8
124.05177	0.5
129.06949	0.7
130.30762	0.3
131.04892	0.9
133.06412	0.5
134.03600	0.8
135.04343	1.1
137.05978	4.5
138.06735	0.7
140.06160	0.5
141.06944	2.6
145.06433	0.7
147.04358	0.7
148.07597	0.8
149.06023	2.1
150.06703	1.5
151.07480	1.2
151.23203	0.4
152.06160	1.3
153.01735	0.7
153.05748	0.6
153.06978	11.8
154.07674	1.3
155.08546	7.2
157.06454	1.6
161.06047	0.4
165.06993	29.7
166.07449	0.4
167.08507	0.7
168.05661	3.1
169.06471	2.2
170.07132	0.4
171.08031	0.6
175.07375	0.4
178.07683	0.4
179.04828	0.7
180.05548	0.6
181.04997	0.7
181.06468	7.5
182.07283	3.6
183.08038	21.2
184.08539	0.3
185.05945	2.3
185.09531	0.5
187.07425	0.5
193.06334	6.3
193.07970	0.7
194.07176	1.2
195.08020	1.5
196.05127	3.8
197.05974	2.7
197.09636	0.5
198.06718	1.2
199.07516	1.7
200.08313	2.6
201.09000	0.4
203.10645	0.4
207.04393	2.2
209.05975	0.9
210.06726	3.8
211.07523	23.7
212.08263	5.5
213.05569	1.7
213.09070	1.5
213.16350	0.3
215.10692	0.6
221.05980	6.3
222.06613	1.1
223.07465	1.0
224.04553	0.4
225.05615	0.6
225.09094	6.1
226.06171	0.5
226.09654	0.4
227.07016	1.1
227.10429	0.3
228.07779	4.2
238.06216	0.7
239.07014	4.7
240.07658	0.8
241.04951	0.6
241.08594	0.9
242.09430	2.8
243.10190	6.0
253.08549	2.6
254.09183	0.4
255.10106	0.9
256.07214	0.6
257.08035	1.5
260.00708	0.4
261.05774	0.4
270.08768	0.7
271.09619	47.1
272.10013	1.5
286.11963	100.0
287.05487	12.5
287.12546	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	286.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03376	1.1
69.03417	2.2
69.80341	1.7
69.80752	4.3
70.06553	1.6
79.05465	2.8
81.03397	1.5
85.02880	4.3
91.05482	2.9
95.04980	1.1
97.02876	2.0
104.11332	1.0
106.06544	100.0
107.06773	1.4
115.72118	1.0
118.06538	16.4
120.08117	1.2
121.02866	1.9
124.07552	3.7
130.06516	2.9
132.08017	2.4
134.05875	1.3
135.04335	1.2
143.01743	1.0
146.06020	1.5
148.07491	2.2
160.07584	1.1
175.03862	1.5
203.03398	1.1
226.09314	1.6
250.10640	1.6
250.40735	1.0
254.08879	2.3
259.06079	0.9
268.11786	1.4
286.11417	2.1
287.05441	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	286.1433
Annotation	(R,S)-Coclaurine
Peak:m/z	Relative Intensity
53.03933	0.9
55.01872	0.6
67.05507	0.4
68.99791	0.8
69.03443	0.5
69.90124	0.3
79.05483	1.7
81.03427	0.4
85.02879	0.4
91.05479	1.9
93.07031	0.6
95.04988	1.7
103.05442	0.8
105.04469	0.5
107.04945	100.0
108.05285	1.0
109.02888	0.4
111.00783	0.4
115.05447	9.6
117.07006	1.2
119.04910	0.9
121.02842	3.8
121.06482	2.7
122.03637	1.2
124.03916	0.6
131.04900	2.2
133.02806	0.3
134.03644	0.4
135.04431	0.8
137.02339	0.8
137.05966	16.1
138.06346	0.5
141.07091	0.3
143.04913	15.2
144.05644	0.5
145.06473	6.8
147.04417	0.6
149.05998	0.6
151.07510	1.0
153.01831	5.1
155.06033	0.5
157.06531	0.8
160.05190	1.2
161.05968	1.3
163.06242	0.7
163.07532	0.9
165.01895	1.6
165.06992	1.1
166.07782	1.2
167.08467	0.4
175.07516	6.4
177.05450	1.2
178.08641	4.9
181.06488	1.0
181.10144	1.0
182.07118	0.4
183.02904	0.6
183.08064	0.6
185.05986	0.6
190.07779	0.8
191.08565	1.9
192.10214	0.4
194.07259	3.7
195.08046	0.8
197.05917	0.6
208.08917	0.4
209.06058	0.5
209.07736	0.6
209.09608	8.3
210.81380	0.4
211.07381	0.7
211.11140	0.5
213.05530	1.0
219.08080	1.8
222.06664	0.5
223.07625	0.4
226.09410	0.5
227.10658	0.7
231.06566	0.7
237.09088	8.4
239.07042	1.5
240.07831	0.8
240.11307	0.6
241.04909	0.9
241.08562	0.4
245.04201	0.4
251.10561	0.5
254.09167	1.0
254.11658	0.4
256.10764	1.2
258.04974	1.0
259.05975	0.4
268.10712	0.6
269.11710	27.3
270.12134	0.6
285.03632	0.4
286.04294	1.5
286.07751	0.6
286.12033	2.1
286.14362	47.0
287.05481	47.5
287.14395	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1434
Annotation	(R,S)-Coclaurine
Peak:m/z	Relative Intensity
53.03937	1.4
55.01873	0.6
60.72334	0.4
63.22458	0.4
68.99773	0.9
69.03425	0.5
70.87704	0.8
79.05480	1.4
81.03410	0.7
86.56649	0.3
91.05470	1.8
95.04951	1.3
103.05452	0.9
107.04942	100.0
108.05282	1.4
109.02872	0.6
109.06516	0.3
115.05436	6.3
117.07023	1.5
119.04941	0.7
121.02850	2.5
121.06506	1.6
124.07593	1.0
131.04903	3.2
137.02357	1.3
137.05978	7.6
143.04903	10.8
144.05608	0.5
145.06468	6.5
147.04413	1.0
147.07988	0.6
151.07503	1.9
153.01794	2.4
155.06001	0.6
157.06523	0.4
160.05183	3.5
161.05894	0.5
161.95477	0.4
163.07530	1.7
165.07019	0.8
166.07776	1.2
175.07532	13.2
178.08601	1.8
181.06450	1.1
181.10052	0.9
183.02878	0.9
185.05917	0.6
190.07751	0.7
191.08502	3.1
193.04797	0.5
194.07230	4.1
195.07967	0.5
197.06012	0.6
209.09583	9.4
213.05386	0.7
219.08067	1.6
223.07541	0.5
231.06599	0.4
237.09073	10.8
239.06999	0.9
240.07733	0.4
254.09265	2.4
256.07883	0.4
258.05237	0.6
269.11691	34.6
270.12085	0.8
286.14352	39.8
287.05475	29.4
287.14636	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Fisetin
Peak:m/z	Relative Intensity
52.42031	0.2
55.01862	0.3
57.07074	0.3
62.75761	0.2
63.55310	0.2
64.91198	0.2
65.03910	0.4
67.01846	0.3
67.05491	0.4
68.99788	2.1
70.32023	0.8
74.85201	0.2
79.05469	1.0
81.03408	0.6
81.07045	0.7
83.99886	0.2
85.50201	0.2
91.05471	0.6
93.07068	0.6
95.04929	0.5
95.08603	0.5
103.05444	0.9
105.03362	0.6
105.07029	0.5
107.04951	1.5
107.08571	0.6
109.02892	0.4
111.00791	1.7
111.04409	0.4
115.05431	0.5
117.07006	0.3
119.04899	0.4
119.08551	0.5
121.02858	5.8
121.03853	0.3
121.06470	0.4
121.10095	0.3
124.86727	0.2
125.52909	0.2
129.06943	0.5
131.04945	0.6
131.08493	0.4
133.02861	1.0
135.04382	0.4
135.11668	0.3
137.02356	2.3
137.06004	0.7
141.06964	0.3
143.04993	0.4
144.52521	0.2
144.90816	0.2
145.06482	0.5
145.10081	0.3
147.04393	1.6
147.11629	0.4
149.05922	0.7
151.07587	1.3
153.01817	10.8
153.07002	0.4
157.06483	1.6
157.92834	0.3
161.05949	0.8
163.07571	0.4
165.01811	3.5
165.07001	0.6
166.07349	0.7
167.08565	0.4
169.06497	0.6
171.04407	0.6
181.06502	0.4
182.07260	0.3
183.02875	1.7
183.08015	0.5
184.08478	0.5
185.05997	1.5
187.14746	0.3
190.11037	0.3
195.08003	0.6
196.08859	0.3
197.05971	0.9
198.06764	0.3
203.03490	0.3
203.07047	0.3
207.16533	0.3
211.07500	0.7
212.08087	1.0
213.05463	3.5
213.09036	0.6
215.10696	0.6
225.09021	0.4
227.10606	0.5
229.08522	0.4
231.06546	1.3
239.06830	0.4
241.04961	1.8
241.08604	0.9
243.10205	0.5
254.09312	0.3
255.10143	0.7
256.10901	0.6
257.05099	0.3
257.07938	1.4
258.05240	2.2
259.06003	0.9
271.09579	0.5
272.09988	1.4
287.05481	100.0
287.12320	9.1
287.23483	1.0
288.05786	3.4
297.30472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Luteolin
Peak:m/z	Relative Intensity
52.83132	0.2
55.01862	0.2
65.03932	0.5
67.01872	0.4
68.99786	2.5
69.03427	0.3
69.53688	1.1
69.54095	0.3
79.05490	0.9
81.03410	0.5
91.05500	0.2
94.75279	0.2
95.04944	0.3
98.21587	0.2
99.39977	0.2
103.05466	0.2
104.15682	0.1
105.03370	1.1
107.04948	1.4
109.02863	0.7
111.00813	1.5
111.04450	0.5
115.05405	0.3
119.04884	0.2
121.02858	6.9
121.06484	0.3
123.04365	0.2
127.03917	0.3
128.06206	0.3
129.07034	0.4
131.04977	0.2
133.02808	0.9
135.04413	0.3
135.08052	0.2
137.02333	2.5
141.06961	0.3
145.06462	0.7
147.04393	1.6
153.01820	10.7
157.06509	1.7
161.05969	0.7
165.01839	3.5
167.08612	0.3
169.06430	0.2
171.03004	0.2
171.04416	0.5
183.02882	1.8
185.05952	1.3
189.05496	0.4
194.02130	0.2
195.08032	0.5
197.05922	0.3
198.53490	0.2
199.03824	0.3
203.03290	0.2
213.05437	3.2
217.05006	0.2
223.07495	0.3
225.87691	0.2
227.10735	0.4
229.04851	0.6
231.06496	1.5
241.04893	1.9
242.05644	0.2
245.04378	0.2
258.05228	2.3
259.05911	1.0
269.04391	0.3
287.05481	100.0
288.05832	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04610	0.2
56.36174	0.2
65.03941	0.3
67.01843	0.3
68.99783	1.5
69.03402	0.2
70.84956	0.2
70.85284	0.4
79.05475	0.4
81.03408	0.2
81.52446	0.2
81.77007	0.2
84.22746	0.2
87.10447	0.2
91.92147	0.1
92.46720	0.2
95.04943	0.3
103.05432	0.3
105.03374	0.7
107.04956	1.1
109.02850	0.7
111.00805	1.0
111.04410	0.3
119.04919	0.3
121.01991	0.4
121.02847	5.1
129.06972	0.3
133.02861	1.0
135.04372	0.2
137.02332	1.7
145.02856	0.2
145.06465	0.3
147.04411	1.1
153.01816	8.2
157.06439	1.3
161.05951	0.3
165.01820	3.0
168.64772	0.2
171.04306	0.5
175.03918	0.3
183.02910	1.1
185.05946	0.8
189.05478	0.3
194.24310	0.2
197.05942	0.4
199.03821	0.2
203.06836	0.2
213.05435	2.4
227.10657	0.3
229.04892	0.4
231.06506	1.1
241.04892	1.2
258.05215	2.3
259.06003	0.6
269.04453	0.2
287.05463	100.0
288.05823	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.01863	0.1
65.03937	0.3
67.01847	0.3
68.99786	2.3
69.03408	0.3
70.56367	0.2
70.56741	0.2
71.01319	0.1
73.38423	0.1
79.05484	0.8
81.03408	0.3
91.05469	0.1
95.04951	0.3
96.26125	0.1
97.02877	0.1
97.23227	0.1
103.05465	0.3
103.33793	0.1
105.03375	0.9
105.04504	0.1
105.06940	0.1
107.04949	1.1
109.02870	0.9
111.00786	1.6
111.04427	0.4
115.05440	0.2
117.06970	0.1
119.04894	0.2
121.02852	7.2
121.03899	0.3
121.06534	0.1
123.04356	0.1
127.03858	0.2
128.06200	0.2
129.06985	0.3
131.04907	0.1
133.02829	1.0
135.04391	0.4
137.02322	2.3
139.05392	0.2
141.06972	0.3
142.32632	0.1
143.04919	0.1
145.06465	0.6
147.04399	1.6
151.03880	0.1
153.01811	11.1
157.06464	1.5
161.02364	0.1
161.05940	0.5
163.03894	0.2
165.01820	3.7
166.02426	0.1
167.04907	0.1
169.06393	0.2
171.02994	0.1
171.04362	0.6
173.05891	0.1
175.03781	0.2
175.07649	0.1
177.05533	0.1
183.02870	1.8
184.05141	0.1
185.05934	1.3
189.03679	0.1
189.05426	0.3
194.02074	0.1
197.05975	0.3
199.03940	0.2
201.05443	0.1
203.03397	0.2
203.07010	0.3
212.04709	0.1
213.05443	3.3
216.04280	0.2
217.04900	0.1
218.05878	0.1
219.06383	0.1
229.04959	0.4
231.06471	1.4
241.04918	1.5
242.05528	0.1
243.06461	0.2
245.04306	0.1
257.04535	0.2
258.05209	2.2
259.05951	0.8
263.05405	0.1
269.04343	0.4
286.04752	0.1
287.05463	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	287.0546
Annotation	Fisetin
Peak:m/z	Relative Intensity
55.01851	0.2
56.17887	0.2
57.93161	0.2
65.03937	0.4
67.01850	0.3
68.99776	3.1
69.03411	0.3
69.47465	0.9
69.47886	1.1
75.97363	0.2
79.05486	0.9
81.03403	0.6
95.04954	0.4
98.20792	0.5
103.05479	0.4
105.03377	1.3
107.04924	1.3
108.86390	0.2
109.02876	0.9
111.00783	2.1
117.06931	0.3
121.02847	8.3
127.03847	0.3
129.07005	0.6
133.02809	1.0
135.04396	0.3
137.02332	2.4
141.07100	0.3
145.06450	0.7
147.04356	2.0
153.01805	12.9
154.02217	0.2
157.06476	1.5
161.05946	0.5
165.01810	4.3
171.04424	0.9
175.07544	0.3
183.02876	1.9
184.05064	0.3
185.05942	1.6
189.05525	0.4
197.05962	0.3
203.03387	0.3
203.07004	0.4
213.05447	3.5
216.04175	0.5
229.05016	0.4
231.06532	1.5
241.04947	1.8
254.54208	0.2
258.05240	2.8
259.05972	0.7
269.04581	0.3
287.05460	100.0
288.05801	3.0
300.64233	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Fisetin
Peak:m/z	Relative Intensity
51.65590	0.1
53.03914	0.3
65.03926	0.4
66.36103	0.2
67.01853	0.4
68.99503	0.2
68.99793	2.1
69.34946	0.8
69.35374	0.9
79.05468	0.5
81.03400	0.4
89.66508	0.2
95.04967	0.3
105.03365	0.7
107.04945	0.9
109.02853	0.6
109.23846	0.2
111.00793	1.5
111.04436	0.6
121.02864	6.2
128.06174	0.2
129.06987	0.3
133.02850	0.8
135.04395	0.4
137.02339	2.1
139.05403	0.2
141.06926	0.2
145.06465	0.6
147.04408	1.4
151.03864	0.2
153.01820	9.6
157.06505	0.9
161.05969	0.5
165.01831	3.6
171.04385	0.6
175.03845	0.2
183.02887	2.0
185.05948	0.8
189.05371	0.2
197.05960	0.4
203.03529	0.2
203.07100	0.2
213.05405	2.9
229.04996	0.6
231.06531	1.0
240.96268	0.2
241.04926	1.4
243.06494	0.2
258.05246	2.3
259.06061	0.6
269.04459	0.5
287.05475	100.0
288.05835	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.01855	0.3
65.03925	0.5
67.01845	0.6
68.99786	2.6
69.03407	0.4
69.43636	0.7
69.44061	0.7
71.01318	0.2
79.05476	0.7
81.03397	0.5
95.04942	0.4
97.02890	0.2
103.05434	0.3
105.03381	1.1
107.04947	1.6
109.02863	1.1
111.00776	2.0
111.04422	0.8
115.05382	0.3
117.07042	0.1
119.04863	0.2
121.02854	8.0
121.03858	0.4
127.03879	0.2
128.06206	0.2
129.06992	0.3
133.02840	1.3
135.04399	0.4
137.02330	2.3
137.06067	0.2
141.07019	0.2
145.06427	0.7
147.04404	1.5
151.03918	0.2
153.01813	12.7
157.06465	1.7
161.05962	0.5
163.04024	0.3
165.01816	4.1
171.04364	0.7
175.03961	0.3
183.02888	2.2
185.05972	1.4
189.05435	0.4
195.07977	0.2
197.05875	0.4
199.03748	0.2
203.03413	0.3
203.06987	0.3
213.05437	3.7
216.04330	0.2
217.05046	0.2
227.10793	0.3
229.04898	0.5
231.06479	1.4
241.04974	1.8
243.06444	0.2
258.05206	2.7
259.05969	1.1
269.04443	0.4
287.05463	100.0
288.05789	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	287.0546
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.25200	0.2
52.85194	0.2
55.01867	0.3
55.05488	0.6
63.57787	0.2
64.32210	0.2
65.03914	0.3
65.68793	0.2
66.40871	0.2
67.01831	0.2
67.05506	0.9
68.99443	0.3
68.99780	2.4
69.03407	0.4
69.07048	0.5
70.84269	0.5
71.04991	0.3
79.05478	1.3
80.27705	0.2
81.03407	0.4
81.07053	1.8
83.04968	0.2
83.08601	0.2
91.05462	0.8
93.07033	1.0
94.57435	0.2
95.04950	0.4
95.08585	1.8
97.02892	0.2
97.06530	0.2
103.05459	4.0
105.03383	1.0
105.06998	0.8
106.45615	0.2
107.04951	1.5
107.08582	0.7
109.02862	0.8
109.10139	0.6
111.00770	1.5
111.04421	0.6
115.05463	0.4
119.04958	0.2
119.08561	0.7
121.02850	6.7
121.06470	0.4
121.10109	0.5
123.08041	0.2
123.11670	0.4
127.03860	0.3
128.06174	0.3
129.06985	0.3
131.04929	2.2
131.08530	0.3
133.02831	0.7
133.10080	0.5
134.03539	0.2
135.04401	0.4
135.08046	0.5
135.11659	0.5
136.07503	0.3
137.02344	2.4
137.05957	1.7
139.40111	0.2
141.06955	0.5
144.76146	0.2
145.06471	0.8
145.10104	0.4
147.04411	1.9
148.05167	1.2
149.05983	0.3
149.13249	0.3
153.01813	10.8
157.06468	1.8
159.11667	0.3
161.05952	0.5
163.03833	0.2
163.07564	1.2
165.01828	3.0
165.07033	0.3
167.08527	0.3
171.04372	0.8
175.03903	0.3
183.02866	1.7
184.05226	0.2
185.05919	1.3
185.97945	0.2
189.05464	0.2
195.08002	0.4
197.05945	0.3
203.06941	0.4
212.07826	0.2
213.05421	3.1
215.17949	0.5
223.07466	0.3
227.10593	0.3
229.04904	0.5
231.06424	1.2
233.18843	0.4
241.04858	1.5
243.06514	0.2
251.20059	0.3
255.10078	0.3
258.05203	2.1
259.06015	0.8
269.04517	0.4
269.12762	0.4
269.21143	0.4
272.10214	0.3
287.05463	100.0
287.23569	0.5
288.05832	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88675	0.2
55.01849	0.3
65.03925	0.4
66.99636	0.2
67.01842	0.4
68.99784	2.4
69.03404	0.2
69.07043	0.3
69.55466	1.4
79.05475	1.0
81.03407	0.5
81.07037	0.7
81.35651	0.2
87.82587	0.2
91.05460	0.5
93.07025	0.3
95.04939	0.5
95.08601	0.6
103.05450	0.7
103.37266	0.2
105.03387	1.2
105.07006	0.6
107.04935	1.6
107.08593	0.4
109.02873	0.8
109.10111	0.3
111.00784	1.9
111.04399	0.5
117.06962	0.3
119.04895	0.3
119.08572	0.3
121.02850	6.8
121.10120	0.3
127.03897	0.3
129.06982	0.6
131.04930	0.5
131.08539	0.2
133.02849	1.0
133.06430	0.2
133.10086	0.3
135.04408	0.5
137.02318	2.4
137.05942	0.5
141.06952	0.3
145.06479	0.8
147.04407	1.6
147.11678	0.2
148.05197	0.2
152.06267	0.2
153.01811	11.6
154.02263	0.2
157.06480	1.4
159.11670	0.3
161.05983	0.6
165.01822	3.5
169.06496	0.2
171.04370	0.9
183.02841	1.5
185.05978	1.4
188.04524	0.2
189.05438	0.3
197.05994	0.3
203.03348	0.3
203.07036	0.4
213.05428	3.7
229.04922	0.5
231.06519	1.4
241.04903	1.5
258.05228	2.6
259.06046	1.0
269.04324	0.5
269.22336	0.2
287.05463	100.0
288.05814	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03933	0.3
53.33167	0.2
54.54294	0.2
55.05492	0.7
57.07062	0.3
65.03916	0.6
67.01839	0.2
67.05493	0.6
68.99781	2.3
69.03417	0.5
69.07050	0.8
70.16250	0.8
70.16650	0.5
71.04983	0.3
78.06531	0.2
79.05472	1.8
81.03415	0.5
81.07040	2.1
83.08594	0.5
91.05463	1.0
93.07032	1.8
95.04958	0.6
95.08607	1.5
97.10133	0.3
103.05457	1.9
105.03391	0.9
105.07027	1.9
107.04942	1.5
107.08596	1.3
109.02888	1.3
109.10146	1.3
111.00806	1.6
111.01999	0.2
111.04439	0.3
115.05435	0.5
115.14618	0.2
117.07021	0.4
119.08595	1.6
119.70107	0.2
121.02853	6.7
121.06509	0.3
121.10113	1.1
123.08060	0.4
123.11675	0.5
124.86456	0.2
125.09612	0.4
128.06207	0.5
129.06973	0.6
131.04919	1.4
131.08543	0.6
133.02835	0.9
133.10100	1.2
135.04413	0.6
135.11702	0.4
137.02315	2.3
137.05956	1.0
143.08536	0.4
145.06480	0.7
145.10109	0.9
147.04373	1.6
147.11708	1.4
148.05206	0.6
149.05983	0.4
149.13226	0.7
151.03885	0.3
151.07520	0.3
152.06227	0.3
153.01817	11.4
153.07028	0.3
157.06477	1.8
157.10150	0.4
159.11696	0.8
161.05951	0.7
161.13263	0.8
163.07608	1.1
165.01814	3.3
167.08603	0.3
169.06503	0.4
171.04387	0.8
171.11659	0.3
173.05943	0.3
173.13289	0.4
175.03857	0.4
175.07578	0.3
175.14810	0.3
179.36557	0.3
183.02904	2.2
185.05980	1.4
185.13155	0.4
187.14848	0.4
189.05460	0.4
189.16336	0.6
195.08083	0.4
197.05931	0.7
199.14830	0.4
201.05399	0.2
201.16356	0.6
203.03296	0.3
203.06966	0.5
212.04634	0.2
213.05449	3.6
213.16402	0.4
215.10675	0.4
216.04240	0.4
217.04872	0.3
227.06967	0.4
227.10579	0.7
229.04893	0.6
231.06528	1.5
231.42712	0.3
241.04933	1.3
245.04416	0.3
251.39799	0.2
255.10184	0.3
258.05161	2.6
259.05923	1.1
269.04456	0.4
269.22592	1.1
286.04584	0.3
287.05463	100.0
287.23657	2.8
288.05823	3.3
288.09067	0.4
288.10269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0909
Annotation	Kukulkanin B
Peak:m/z	Relative Intensity
53.03922	1.0
55.05501	1.5
57.07061	1.1
63.00013	0.6
65.03928	1.2
67.01859	4.5
67.05491	3.2
68.99775	3.2
69.07061	2.9
70.42313	0.7
70.42670	1.6
71.04978	0.8
79.05475	2.0
81.07047	5.0
83.04982	2.9
83.08595	1.2
85.06523	0.9
91.05469	11.9
93.07047	5.2
95.04962	3.4
95.08600	4.6
97.06551	0.5
98.98453	0.6
103.05473	3.3
105.07020	4.5
107.04945	3.3
107.08575	3.3
109.06500	1.1
109.10137	3.4
111.00787	0.8
111.04430	3.9
115.05383	0.7
117.06999	0.9
119.04929	23.7
119.05788	1.2
119.08570	3.5
121.02864	3.6
121.06483	1.9
121.10128	2.6
123.04391	3.3
123.11682	1.1
129.07018	1.1
131.04919	1.6
131.08543	1.9
133.10129	2.0
135.08025	0.9
135.11676	1.4
137.02356	1.4
137.05998	2.8
137.09596	0.5
139.03842	0.7
141.06950	0.9
143.08525	0.9
145.10120	2.4
147.04393	57.5
147.11690	3.0
149.05940	0.8
149.09676	0.8
149.13179	1.1
151.07501	1.6
152.06136	0.8
153.01796	5.9
153.07021	0.7
157.06467	1.7
157.10081	1.2
159.11674	2.0
161.06009	1.0
161.13205	1.7
163.07524	0.9
163.14859	0.8
165.01822	1.6
165.05502	1.1
165.06915	1.0
166.07390	0.8
167.03383	100.0
168.03775	0.9
168.05771	0.7
169.06488	1.4
171.04341	0.9
171.08128	1.1
171.11621	1.0
173.13205	1.7
175.14844	0.8
181.06438	1.0
182.07130	0.6
183.02890	1.2
183.08057	0.8
184.08810	0.6
185.04475	4.6
185.05943	0.7
185.13167	1.1
187.14818	1.1
189.05435	1.5
189.09013	0.6
189.16322	0.8
195.07968	1.3
197.05994	1.0
198.06850	0.6
199.14775	1.0
201.16342	0.8
203.10519	0.8
211.07504	0.5
212.08253	0.6
213.05415	1.8
213.09047	0.9
213.16354	1.6
215.10669	7.7
215.92514	0.6
223.07475	0.8
227.07153	0.6
227.10634	1.4
229.19507	0.8
231.06548	0.8
231.17464	0.9
241.04861	0.9
241.08609	1.0
241.12134	0.9
243.10077	0.7
255.10277	1.2
257.08112	1.9
258.05096	1.4
259.01434	0.6
259.06039	0.9
269.07913	0.7
269.22607	3.7
271.06427	0.6
272.10422	0.8
287.05487	57.7
287.09100	80.9
287.12537	9.8
287.16116	1.9
287.23581	6.0
288.06024	1.0
288.09439	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
56.96546	3.8
57.03418	1.5
59.68015	0.9
61.02913	1.1
62.51546	0.8
63.00065	1.3
68.99760	1.5
69.03434	4.7
69.07069	1.0
70.06581	1.5
71.04990	1.0
71.51996	0.8
71.52431	1.4
73.02879	0.9
74.06063	0.7
77.90938	0.7
79.05487	1.5
81.03397	2.0
84.13447	0.8
85.02896	5.1
85.06520	2.9
89.03889	0.9
91.05465	1.3
95.04943	1.5
96.04525	1.1
97.02888	3.9
98.97546	4.4
105.06979	1.5
106.06556	3.5
107.04944	1.6
107.06138	1.9
107.06873	3.4
109.02862	1.5
112.07557	1.3
116.07108	1.0
116.98626	3.8
119.01814	1.3
121.02854	2.1
121.06478	1.3
123.04422	1.0
124.03918	2.2
124.07575	4.3
125.04269	2.5
125.07106	2.7
125.07912	3.7
126.04578	1.3
126.05505	16.1
127.03916	3.1
128.98608	1.1
130.08621	1.4
131.01855	1.1
131.04869	1.1
134.99619	2.0
135.04401	1.4
137.02420	0.8
137.05920	0.8
139.64667	0.9
146.99652	1.6
147.04337	1.1
153.01802	1.5
156.02722	1.3
158.99649	1.4
161.01193	1.6
163.03865	5.8
165.07715	1.0
167.07034	3.7
173.02916	1.3
175.03937	1.6
177.00719	2.5
177.05502	2.4
177.39105	0.8
186.04398	1.2
189.05684	1.1
190.95392	1.8
193.04926	1.3
203.03474	1.4
204.05489	1.3
213.05499	1.5
219.01738	1.7
221.05022	8.7
231.06592	1.3
232.96396	1.2
237.02835	1.6
245.04410	2.0
259.05869	1.5
269.08594	1.2
287.05734	25.2
287.10986	100.0
288.05914	1.5
288.11154	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	287.1122
Annotation	Isohomoarbutin
Peak:m/z	Relative Intensity
55.01840	2.6
56.96553	2.0
57.03442	9.7
58.24667	1.7
61.02911	7.9
63.00035	3.3
65.03941	10.7
67.05502	3.7
68.99771	3.2
69.03416	3.6
70.06586	2.9
70.70626	2.0
71.52583	2.2
74.06068	1.7
75.04476	9.8
79.05487	19.1
79.05938	2.4
81.03417	3.0
83.04993	2.4
85.02890	3.5
91.05473	6.9
93.03409	6.9
95.04948	6.6
97.02885	3.3
100.16832	1.7
106.56280	1.9
107.04945	31.4
109.02851	2.5
109.73606	1.9
110.03654	26.9
111.04434	22.4
116.07104	1.9
117.03303	2.6
119.04930	3.9
121.06486	10.2
122.03607	4.4
123.04420	5.9
125.05987	100.0
127.03910	2.6
133.02837	11.4
135.04405	23.9
137.02306	4.1
137.05963	6.9
141.05440	2.7
144.56604	1.7
145.06551	1.8
147.04413	4.4
149.02338	2.6
149.05975	19.6
150.03113	9.4
151.03899	82.6
151.05011	7.9
152.04607	1.8
153.01799	3.9
153.05473	10.6
161.05945	2.4
162.03108	5.2
163.03877	15.1
163.07541	3.7
164.04524	2.2
165.05461	33.0
167.07022	23.0
171.04321	2.1
171.07724	3.5
175.03937	4.2
177.04027	3.4
177.05453	37.4
180.04144	10.5
181.08556	2.8
185.05920	2.7
189.05620	1.9
191.07010	2.8
193.04968	7.7
195.06512	18.8
199.09616	5.6
203.03436	5.1
213.05632	3.2
213.07581	13.2
225.07613	11.0
231.06592	1.9
241.04962	3.4
245.04515	2.8
259.06055	4.1
269.04239	1.9
269.10254	5.6
269.14923	2.6
287.05527	55.8
287.11032	45.6
287.16107	4.5
288.05917	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	287.1276
Annotation	5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
53.03936	0.5
55.01855	0.3
55.05498	1.3
57.07078	0.4
65.03934	0.5
67.05508	1.6
68.99780	1.2
69.03410	0.4
69.07060	2.3
70.77337	0.8
77.03936	0.5
79.05476	1.6
81.03400	0.4
81.07046	3.7
83.04990	2.3
83.08617	0.8
83.37349	0.3
91.05469	1.6
93.03378	0.3
93.07037	2.9
95.04977	1.1
95.08598	3.7
97.06512	0.5
97.10194	0.5
103.05446	0.9
105.03393	0.6
105.07020	2.7
107.04935	2.0
107.08578	2.9
109.02856	0.6
109.06548	0.5
109.10138	1.7
111.00804	0.8
111.08076	0.5
115.05450	0.3
117.07016	0.8
119.04986	0.4
119.08586	2.1
121.02861	3.8
121.06493	0.6
121.10101	1.5
123.08119	0.4
123.11694	0.6
128.06224	0.5
129.06990	0.7
131.04906	0.7
131.08577	1.2
133.02864	0.4
133.10158	1.4
135.04405	0.9
135.08049	0.5
135.11678	1.7
137.02361	1.2
137.05997	1.4
138.06728	0.7
141.06955	1.4
143.08575	1.3
145.06508	0.8
145.10114	2.0
147.04350	0.5
147.11662	1.7
148.05202	0.4
149.05911	0.5
149.09564	0.3
149.13278	1.2
151.07526	2.0
152.06155	0.6
153.01833	5.6
153.07011	1.7
154.02161	0.4
155.08572	1.1
157.06442	0.9
157.10136	1.0
158.07211	0.3
158.81268	0.3
159.07988	0.3
159.11649	1.9
161.06073	0.4
161.13271	1.4
163.07588	1.0
163.11140	0.4
163.14847	0.5
165.01863	2.0
165.06976	3.1
165.09161	0.5
166.07362	0.5
167.08507	0.9
168.05682	1.6
169.06471	5.8
170.10886	0.4
171.04503	0.5
171.08044	1.0
171.11687	1.2
173.13206	1.5
175.07672	0.4
175.14838	0.7
176.08249	0.4
179.14236	0.3
181.06458	2.7
182.05785	0.5
182.07191	2.0
183.02881	0.8
183.08069	3.4
184.08556	0.7
185.06046	1.3
185.09579	0.7
185.13293	0.8
186.06793	0.5
187.14818	0.9
189.09117	0.6
189.16354	0.9
191.10561	0.4
193.06352	0.4
195.08020	2.9
196.05217	1.4
196.08844	1.0
197.05971	8.4
198.06725	2.2
199.07545	2.2
199.14857	0.7
201.09132	1.3
201.16402	0.9
203.10786	0.5
210.06775	0.7
211.07536	4.3
212.08293	4.0
213.05476	2.9
213.09065	3.9
213.16391	1.4
214.06140	0.8
219.17648	0.4
223.07571	1.3
224.04703	0.7
225.05540	1.9
225.09038	2.7
226.06340	1.3
226.09677	0.7
227.06987	0.9
227.10713	0.9
227.17995	0.6
228.07855	1.3
229.08598	4.7
229.19569	0.6
231.06551	0.8
231.13756	0.8
231.17345	0.5
239.06989	3.8
240.07755	1.2
241.04843	0.8
241.08586	15.1
241.19487	0.4
242.05676	0.5
242.09193	0.8
243.06447	0.4
243.10153	10.2
243.21140	1.0
244.10780	0.5
250.66971	0.3
254.09360	1.0
255.10214	1.4
256.10938	3.9
257.08075	25.4
258.05304	0.8
258.08765	1.7
259.05966	0.4
269.22598	2.6
271.09631	4.4
272.10312	5.6
287.05533	55.0
287.12735	100.0
287.23694	7.6
288.05865	3.2
288.13037	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	287.1275
Annotation	4-Hydroxy-2,6,7-trimethoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
52.30403	0.6
53.03923	0.6
55.01859	1.9
55.05507	2.7
57.07067	2.9
65.03915	0.7
67.05491	4.7
68.99775	1.1
69.03423	0.7
69.07067	3.3
69.70552	0.9
69.70960	2.8
71.04945	0.7
71.08611	1.6
78.51210	0.5
79.05494	4.5
81.03416	0.8
81.07047	8.9
83.04957	0.9
83.08594	1.5
85.02876	0.9
85.10159	0.9
91.05470	3.7
92.15776	0.5
93.07030	6.6
95.04934	1.0
95.08595	12.3
97.06562	0.8
103.05460	2.1
105.03343	1.0
105.07028	3.4
107.04943	6.5
107.08591	4.7
107.59706	0.7
108.05743	1.2
109.02842	0.7
109.06500	1.0
109.10141	3.9
111.00738	0.8
111.08048	0.7
115.05457	0.7
117.07001	0.7
119.08568	3.5
121.02853	5.6
121.06486	1.0
121.10132	3.9
123.08031	1.2
123.11692	1.6
128.06332	0.6
129.07047	1.0
131.04936	1.0
131.08559	1.7
133.02849	1.0
133.10126	2.7
135.04396	3.4
135.08017	0.8
135.11682	2.0
136.05174	2.1
137.02344	2.1
137.05966	1.1
137.09546	0.6
137.13278	0.8
138.06761	0.6
141.06987	2.4
143.08540	1.6
145.06459	1.4
145.10109	1.9
147.04353	1.5
147.11687	2.4
149.09581	0.6
149.13255	1.4
151.07529	38.1
151.14886	1.1
152.06209	0.6
153.01816	9.2
153.06999	2.2
155.08521	1.2
157.06435	1.2
157.10132	0.9
159.11687	2.7
161.13231	1.4
163.07626	0.6
163.11168	0.6
165.01851	2.4
165.07001	3.2
168.00533	0.7
168.05693	0.9
169.06499	5.6
169.15829	1.6
170.07239	0.8
171.04384	1.0
171.08115	0.7
171.11642	1.1
173.13234	1.6
175.14754	0.7
177.16335	0.6
181.06432	3.0
182.07309	2.9
183.02878	2.5
183.08051	3.6
185.05972	1.4
185.09654	0.8
185.13121	1.0
189.16362	1.5
195.08061	2.7
196.05252	1.3
197.05965	9.0
198.06720	2.5
199.07520	2.2
201.09090	1.2
210.06607	1.0
211.07509	5.0
212.08215	4.0
213.05444	3.1
213.09033	3.7
213.16458	1.4
214.03050	0.6
214.06203	0.7
215.10687	0.8
215.17987	1.0
224.04617	1.0
225.05476	2.0
225.09126	3.1
226.06282	1.1
227.06995	1.6
227.10611	0.8
228.07730	1.4
229.08595	4.9
229.19594	0.9
231.06575	0.9
231.17337	0.9
239.06990	4.2
240.07690	1.0
241.04849	2.2
241.08554	14.7
243.10123	10.3
251.20117	1.6
255.06276	0.7
255.10196	0.7
256.10883	3.1
257.05243	1.2
257.08060	25.3
258.05203	1.5
258.08801	1.8
259.06122	0.7
263.85922	0.6
269.22650	2.6
271.09579	4.7
272.10315	5.5
279.61060	0.6
287.05508	84.6
287.12717	100.0
287.23553	7.8
288.05780	4.5
288.12939	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1274
Annotation	7-Hydroxy-2,4,6-trimethoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
55.01856	1.3
55.05492	2.6
57.07059	1.8
58.22689	0.8
60.48434	0.8
62.75501	1.0
63.00053	1.0
65.03944	1.2
65.52074	0.9
67.05477	3.2
68.99746	1.1
69.07043	3.4
71.52480	1.2
79.05472	2.8
81.07048	8.3
83.04966	4.5
83.08592	1.4
91.05470	7.5
93.07037	5.1
95.04928	1.3
95.08599	6.8
96.09448	1.0
100.57844	0.9
103.05424	4.7
105.07011	6.4
107.04933	3.6
107.08567	4.8
109.06479	2.7
109.10122	3.2
115.05444	1.6
116.40990	1.0
117.06937	2.4
119.04951	1.8
119.08533	4.2
121.02831	4.1
121.06493	5.8
121.10137	3.8
123.04408	1.2
123.07997	1.1
123.11642	1.4
125.05972	3.2
129.07007	1.3
131.04874	2.9
131.08545	2.2
133.10097	3.1
135.07993	2.3
135.11664	1.6
136.05176	1.4
137.02301	1.3
137.05975	6.6
137.09555	1.0
141.06941	3.1
143.08592	2.4
145.10112	3.7
147.04381	1.4
147.11682	1.9
149.05937	7.5
150.06700	1.0
151.07507	12.2
152.06169	3.8
153.01833	6.6
153.06921	5.3
155.08493	1.8
156.73901	1.0
157.06448	0.9
157.10130	1.8
159.11601	2.6
161.13184	2.0
163.07509	5.5
163.14711	1.5
165.01810	1.3
165.06964	5.3
165.09079	2.3
167.08521	5.9
168.05769	1.0
169.06439	7.3
171.08000	2.1
171.11662	2.4
173.13228	1.5
175.07523	2.2
175.14780	1.0
177.09135	1.5
180.05753	1.9
181.06468	7.7
182.07225	3.0
183.02838	1.2
183.08044	4.6
184.05103	1.1
184.08347	2.2
185.05901	2.3
185.09628	1.5
185.13257	0.9
187.07513	1.3
187.14813	1.9
189.16364	3.3
193.06467	1.0
194.07274	1.5
195.08031	14.8
196.05214	1.1
196.08832	6.9
197.05946	12.1
198.06683	3.1
199.07396	2.2
199.14742	2.0
201.09111	4.5
201.16333	1.5
203.10654	1.2
203.17914	1.0
211.07494	5.7
212.08214	9.5
213.05392	3.2
213.08955	7.0
213.16284	3.0
222.06258	1.3
223.07521	3.8
224.08167	1.9
225.05437	3.2
225.09090	4.0
226.06143	2.0
226.09709	1.7
227.07129	1.9
227.10594	13.5
229.08653	5.2
231.06342	1.3
231.17392	2.2
239.06937	3.2
240.07758	3.4
241.05020	1.6
241.08566	15.1
241.12224	1.6
242.09186	1.1
243.06407	1.4
243.10130	8.5
254.09164	1.2
255.10170	11.8
256.10919	10.5
257.08081	20.0
258.05292	1.3
258.08362	1.5
269.22556	5.7
271.09625	4.0
272.10190	10.7
287.05521	54.6
287.09070	3.0
287.12680	100.0
287.19913	2.6
287.23419	13.4
288.05756	2.7
288.13052	2.6
288.28833	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1275
Annotation	5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
55.01859	0.6
57.07058	1.3
67.05473	0.5
68.99792	0.6
70.91151	1.0
71.46667	0.4
74.24185	0.4
76.30358	0.4
79.05498	0.6
81.07036	1.3
85.06527	1.0
91.05464	1.1
93.07067	0.8
95.04955	0.6
95.08590	0.5
95.48335	0.4
100.60128	0.4
103.05479	0.8
105.07005	0.9
107.04995	0.9
107.08579	0.6
111.00760	0.4
115.05441	0.5
117.06973	0.6
117.39062	0.4
119.08553	0.7
121.02850	1.6
121.06485	1.0
121.10130	0.5
131.08527	0.6
133.10114	0.4
135.04411	0.8
137.02321	0.7
137.05974	0.9
138.06749	0.7
141.07008	1.9
143.08589	0.8
145.10147	0.6
151.07507	1.6
152.06233	0.7
153.01825	2.4
153.07021	2.3
154.07349	0.8
155.08517	1.3
156.08870	0.5
157.06369	0.7
159.11746	0.4
165.01663	0.5
165.06961	3.1
166.07385	1.8
167.08481	0.4
168.05695	1.3
169.06459	4.7
171.08000	0.9
181.06421	2.4
182.07298	1.9
183.08025	3.2
184.08461	1.8
185.05920	0.9
185.09589	0.5
186.06697	0.4
187.14748	0.5
189.09215	0.4
195.08025	2.9
196.05188	1.5
196.08769	0.5
197.05966	7.9
198.06773	1.9
199.07542	1.9
201.09055	1.0
209.05946	0.5
211.07494	5.0
212.08244	5.1
213.05455	1.5
213.09094	3.6
214.06232	0.8
222.06485	0.5
223.07512	0.9
224.04663	0.7
225.05424	1.3
225.09161	2.0
226.06187	1.3
226.09679	1.1
227.06915	1.7
227.10591	0.9
228.07671	1.2
229.08580	5.0
239.07025	3.6
240.07660	0.7
241.04893	0.7
241.08580	14.6
242.05722	0.6
242.09119	0.5
243.06549	0.5
243.07486	0.5
243.10149	9.5
244.10503	0.6
254.09267	0.9
255.10115	1.6
256.10880	3.7
257.08075	22.4
258.08658	1.3
269.22498	0.6
271.09641	4.5
272.10175	7.3
287.05594	22.7
287.12708	100.0
287.23245	2.2
288.05960	1.3
288.12994	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16753	0.8
55.01854	2.0
55.05507	6.3
57.03424	1.0
57.07076	7.2
64.99731	0.9
67.05497	17.4
68.99784	2.2
69.03424	1.1
69.07065	7.8
69.70916	5.7
71.08615	4.2
79.05485	9.1
81.03429	1.1
81.07054	21.4
83.04967	3.7
83.08606	4.6
85.02896	3.7
85.06548	1.8
85.10162	3.3
91.05483	7.5
93.07033	15.0
95.04951	3.0
95.08598	33.4
97.06530	2.5
97.10142	1.8
98.21449	1.2
101.06013	1.5
103.05457	5.6
105.06997	5.7
107.04930	2.5
107.08580	11.5
109.06509	1.8
109.09552	0.9
109.10155	9.3
111.00812	1.6
117.07024	2.0
119.04915	1.6
119.08589	5.4
121.02825	7.6
121.06487	3.4
121.10132	6.9
123.08073	2.2
123.11695	2.9
125.05972	0.9
125.09605	1.0
129.06941	2.3
131.04906	4.4
131.08585	4.9
133.10124	5.1
135.04451	1.1
135.08063	5.0
135.11693	2.8
137.02315	1.6
137.05946	4.5
137.09592	1.3
137.13235	1.1
141.06975	1.5
142.07825	1.5
143.08539	1.6
145.06493	1.0
145.10120	3.5
147.04443	1.3
147.11673	4.0
148.05225	1.6
149.05856	1.3
149.09607	3.2
149.13271	2.5
151.07532	2.8
151.14786	4.5
153.01805	9.6
153.09074	1.6
154.02219	1.0
157.06421	1.6
157.10141	1.8
159.11705	4.4
161.05959	1.3
161.13193	2.6
163.07532	3.1
163.11203	1.4
165.01810	3.8
165.06972	1.9
166.07401	1.9
167.08542	1.4
167.10701	2.1
169.15852	5.9
171.08052	0.9
173.05934	0.9
173.13269	2.5
177.12807	1.0
181.06494	1.1
181.12306	0.9
182.06874	1.1
183.02905	3.2
185.05957	1.5
185.13188	1.0
187.14763	1.8
189.09192	1.0
189.16348	1.8
191.17892	3.6
197.05948	2.0
199.07544	1.4
199.14740	1.5
201.16393	1.0
205.19496	1.8
211.07542	1.7
212.08083	1.5
213.05447	4.8
213.08998	1.0
215.10670	1.7
215.17975	5.0
217.15721	1.2
225.09253	1.5
227.10602	2.6
229.08461	0.9
231.06433	1.0
233.18959	2.3
240.07527	1.6
241.04909	2.2
241.08401	1.8
243.10210	1.8
251.20047	5.8
256.10858	1.1
257.08066	2.8
258.05292	1.9
259.16943	1.2
269.11911	0.9
269.15262	1.4
269.18750	1.1
269.22678	2.5
271.09702	0.9
272.10043	2.9
287.05493	100.0
287.08884	4.1
287.12448	20.4
287.16324	3.0
287.19983	3.1
287.23483	7.3
288.05835	6.8
288.09442	1.7
288.12720	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.5
57.07069	12.4
58.81321	0.9
59.04989	1.7
63.00026	1.0
67.05495	13.9
68.99773	2.4
69.03416	1.7
69.07061	7.4
69.13261	0.9
69.40481	4.5
69.40897	3.4
71.04962	1.8
71.08618	6.8
79.05487	10.2
81.03410	1.4
81.07050	20.2
83.04951	1.8
83.08607	4.5
85.02872	6.7
85.06539	3.0
85.10175	7.0
91.05470	7.3
93.07027	11.9
95.04949	3.2
95.08596	29.1
97.06510	2.3
97.10143	1.7
98.21571	1.8
98.98444	1.3
101.06017	1.1
103.03902	1.1
103.05441	5.9
105.03383	1.3
105.07011	5.4
107.04961	3.0
107.08569	8.3
109.02898	1.1
109.06535	1.9
109.10136	9.8
111.00776	1.4
111.04421	1.1
111.11697	1.1
117.06945	2.1
119.08554	5.5
121.02871	8.4
121.06490	4.1
121.10106	6.7
123.08023	1.4
123.11665	3.1
128.06226	1.5
131.04919	4.8
131.08543	4.5
133.10136	4.0
135.08037	3.8
135.11676	3.9
137.02322	2.0
137.05949	5.1
137.09590	1.1
137.13255	1.6
141.06990	1.7
143.08583	1.5
145.06506	1.5
145.10141	3.7
147.11684	3.2
148.05125	1.3
149.05952	1.8
149.09639	2.6
149.13268	2.3
151.07492	2.3
151.14790	3.5
153.01836	8.8
153.09052	2.0
153.12665	1.1
155.14322	0.9
157.06514	1.8
157.10130	2.0
159.11671	3.5
161.05913	1.1
161.13235	2.1
163.07518	3.4
163.11142	1.2
165.01814	3.1
166.07291	1.3
167.08522	1.2
167.10680	1.3
169.06560	1.0
169.15840	8.9
171.07980	1.1
171.11682	2.0
173.13274	3.3
183.02853	1.5
185.05969	1.7
187.14854	1.9
189.16382	1.9
191.16357	0.9
191.17953	4.1
195.08060	3.4
196.08931	1.2
197.05846	1.4
199.07523	1.2
203.03288	1.4
211.07480	1.7
212.07928	1.1
213.05515	2.6
215.10585	2.4
215.17961	5.5
223.07571	1.4
227.07071	1.7
227.10628	2.9
229.08435	1.3
231.06429	1.9
233.19012	3.2
241.04903	1.8
241.08594	1.9
251.20096	4.9
255.10127	1.6
256.10822	1.4
257.08066	2.4
258.05200	2.7
259.09723	1.1
268.34222	1.0
269.22699	1.1
271.09750	1.1
272.10095	3.2
287.05484	100.0
287.08817	3.8
287.12622	18.4
287.16327	3.9
287.19681	2.2
287.23627	6.2
288.05811	9.5
288.09543	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	287.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58578	1.2
53.03957	1.2
55.05508	9.6
57.03432	2.3
57.07072	20.5
65.03934	1.4
67.05502	17.9
68.99784	3.7
69.03429	1.7
69.07057	11.8
71.04992	2.0
71.08627	12.7
71.52596	2.7
71.52969	1.3
79.05499	13.0
81.03397	1.9
81.07051	32.1
83.04975	3.0
83.08606	6.3
85.02895	15.2
85.06522	5.7
85.10213	5.9
88.00510	1.2
91.05470	7.2
93.07037	23.1
95.04951	4.1
95.08600	45.0
97.06508	1.3
97.10159	3.2
103.03945	1.6
103.05479	6.6
105.07037	11.8
107.04958	1.9
107.08595	17.4
109.06493	3.3
109.10148	15.4
111.04498	1.3
111.08073	1.5
117.07036	2.8
119.08592	9.0
121.02848	6.9
121.06503	4.9
121.10154	8.8
123.11723	3.4
125.09554	1.4
129.06993	1.4
131.04906	5.0
131.08568	6.6
133.10141	9.3
135.08052	3.3
135.11707	5.9
137.02304	2.8
137.05968	4.0
137.09613	1.6
137.13239	1.9
139.07478	1.8
141.07014	1.7
145.10121	7.3
146.22885	1.2
147.11653	6.3
148.05208	1.7
149.06030	2.2
149.09554	3.2
149.13248	3.1
151.07523	2.4
151.11249	2.2
151.14810	4.7
153.01828	10.0
153.09135	2.8
157.06534	2.1
157.10115	2.3
159.11743	7.1
161.13222	3.1
163.07478	2.9
163.11130	1.5
165.01860	3.8
167.08562	1.8
169.15866	16.1
171.08002	1.6
171.11758	1.7
173.13280	4.0
175.14828	2.1
181.06491	1.7
183.02933	1.3
185.06030	2.3
185.13274	1.9
187.14815	4.8
189.16362	2.4
191.17932	5.9
195.08107	2.7
197.06012	1.6
212.08160	1.5
213.05414	4.0
213.16336	1.9
215.10733	2.5
215.17972	4.6
227.07224	1.6
227.10649	1.5
227.18076	1.9
231.06569	2.3
233.19008	3.9
251.20139	6.4
255.06520	1.5
255.09846	1.4
257.08151	1.6
258.05194	1.7
259.05933	1.9
259.09662	1.3
269.22656	5.5
287.05505	100.0
287.08817	3.5
287.12695	8.7
287.16351	2.9
287.20392	2.7
287.23639	12.3
288.05795	7.4
288.09793	3.6
288.12750	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
54.33694	1.3
54.81451	1.5
55.01853	1.7
55.05506	13.3
56.05851	1.3
57.06831	1.9
57.07071	25.4
63.53621	1.5
65.03944	3.3
67.05500	31.5
68.99777	2.1
69.07056	14.4
70.48370	5.6
71.04983	2.2
71.08626	13.0
77.61169	1.3
79.05488	17.7
79.05925	2.2
81.06589	2.4
81.07050	39.4
83.04962	4.4
83.08604	7.5
85.02885	8.6
85.06541	8.0
85.10183	10.0
91.05479	9.4
93.07037	27.7
95.04959	4.7
95.08598	65.6
97.06499	3.1
97.10133	3.6
98.20794	1.6
101.05978	2.2
103.05459	6.2
105.04649	1.5
105.07025	12.4
107.04945	2.6
107.08570	20.2
109.06461	2.1
109.10148	19.3
111.00792	1.5
117.07008	4.7
119.08595	9.3
121.02853	6.1
121.06491	5.9
121.10138	15.7
123.08051	3.4
123.11697	5.3
125.09608	1.8
129.06952	1.9
131.04907	4.5
131.08543	12.6
133.10112	5.8
135.08017	5.3
135.11659	5.0
137.02338	2.1
137.05934	5.2
137.09560	2.3
137.13226	2.9
145.10124	9.4
147.04333	2.6
147.11638	3.8
149.05977	1.5
149.09625	7.3
149.13226	5.7
150.55298	1.4
151.07498	6.8
151.11191	1.8
151.14793	11.9
153.01822	10.4
153.09097	3.4
155.14279	2.5
157.06436	2.4
157.10107	3.4
159.11674	6.9
161.13263	1.8
163.07509	2.4
163.11174	3.1
165.01775	3.1
167.10669	2.6
169.15872	15.5
171.11658	2.5
173.13255	3.9
175.07536	1.6
181.12082	1.7
183.02861	2.5
185.05916	1.7
185.13181	2.3
187.14833	16.6
189.16318	3.3
191.17947	6.1
197.05939	1.6
201.16403	2.7
205.19464	2.5
207.17313	2.2
213.05539	2.5
213.16501	2.2
215.10648	2.0
215.18024	9.7
219.21043	1.5
227.06923	2.0
233.18948	5.8
251.20067	11.2
258.05280	2.0
259.06146	2.3
267.68155	1.7
269.15338	2.3
269.22729	2.4
287.05469	100.0
287.12720	10.4
287.16083	2.6
287.20303	2.3
287.23593	11.2
288.05756	5.5
288.09619	2.6
288.12564	1.7
291.36188	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.05504	4.3
57.07069	14.0
58.06583	1.1
58.07398	2.1
62.06088	5.1
67.05490	7.9
69.07070	5.5
71.08610	7.4
72.08943	2.3
79.05473	3.9
81.07053	10.2
83.04959	1.3
83.08612	3.2
85.02888	2.0
85.06511	1.0
85.10160	2.1
89.36047	0.9
91.05475	3.2
93.07025	6.9
95.04926	1.8
95.08598	17.5
101.06009	1.0
103.05464	2.0
105.03426	1.0
105.07018	2.9
107.04922	2.4
107.08598	6.0
109.06490	1.4
109.10130	4.9
111.00784	1.0
117.07001	1.8
119.08546	1.7
119.95216	1.1
121.02843	3.1
121.06495	2.3
121.10112	4.2
123.08059	1.2
123.11660	1.8
129.06995	0.9
130.70116	0.9
131.08524	1.9
133.10109	1.7
135.08003	1.9
135.11649	1.7
137.05949	1.7
143.08556	1.1
147.04303	1.0
147.11568	1.2
149.09587	1.4
149.13319	1.1
151.07533	4.9
151.14784	2.3
153.01787	5.5
153.09102	1.5
157.06534	1.4
157.17896	0.8
159.11667	1.8
161.05925	1.1
163.07501	1.4
163.11107	1.1
165.01819	1.9
165.06978	2.0
169.06508	1.9
169.15869	2.8
173.13271	1.4
174.18556	1.7
175.07683	0.9
175.18855	2.3
185.13287	0.9
191.17969	1.4
195.08040	0.9
197.06000	2.3
199.07436	0.9
207.17587	0.9
211.07535	1.4
212.08157	2.1
212.23613	1.1
213.05411	1.7
213.09030	1.6
213.24071	6.5
215.17952	3.2
217.12286	0.9
227.10666	2.3
230.24805	7.2
231.06586	0.8
231.25114	27.3
233.18874	1.2
239.06993	1.1
241.08514	5.3
243.10117	3.4
251.20010	2.0
255.10133	1.2
256.10825	1.3
257.08093	5.5
258.05215	1.7
261.19382	0.8
272.10117	1.2
287.05493	54.2
287.08881	1.8
287.12640	28.5
287.16055	1.0
287.19962	2.1
287.31345	100.0
288.05750	3.8
288.28799	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2213
Annotation	Hexadecanedioate
Peak:m/z	Relative Intensity
55.01871	3.1
55.05504	17.9
57.03450	2.9
57.07067	83.5
62.58312	2.3
63.63571	2.6
67.05494	43.5
68.73037	2.6
69.07059	17.6
70.30574	11.7
71.08626	24.7
79.05486	32.4
81.07045	85.2
83.04980	6.5
83.08617	9.6
85.02903	16.6
85.06538	40.8
85.10175	19.3
88.16653	2.4
91.05483	13.2
93.07034	47.3
95.04955	11.3
95.08595	100.0
97.10163	8.2
97.16859	2.8
105.02612	2.6
105.07031	20.7
107.08582	29.4
109.10157	24.0
111.08141	3.1
115.30553	2.7
117.07003	7.4
119.08570	10.2
120.58076	2.5
121.02886	5.5
121.06477	6.5
121.10128	26.2
123.11674	9.3
125.09712	2.9
131.08553	17.8
133.10107	15.2
135.08046	8.1
135.11696	9.0
137.09612	16.3
137.13280	3.7
145.10123	20.5
147.11659	5.1
149.09596	8.5
149.13275	3.9
151.07544	4.0
151.11174	8.1
151.14816	12.5
153.01793	2.9
153.09123	6.4
157.10123	3.7
159.11656	10.2
161.13272	3.8
163.11142	8.1
166.62300	2.5
169.04781	3.0
169.15855	27.4
173.13347	4.7
175.14809	2.9
187.14839	24.2
191.14294	17.7
191.17926	7.8
201.16307	6.6
211.42924	3.1
213.05489	3.6
213.16341	3.4
215.17914	14.3
219.17413	11.7
231.25171	4.4
233.19029	5.7
241.08755	3.6
251.20097	14.3
257.08237	3.4
269.22726	4.2
287.05569	46.4
287.12689	21.9
287.23685	50.8
287.31308	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	287.2366
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
53.03931	1.9
55.05505	14.5
56.34963	1.5
57.03428	1.4
57.07066	7.6
57.42712	1.2
59.04997	1.8
65.03899	1.4
67.05177	1.4
67.05499	12.9
68.90932	1.4
68.99786	3.1
69.03420	2.8
69.07059	39.7
69.82047	1.2
70.56288	4.3
71.04988	2.6
78.91409	1.2
79.05476	9.4
81.06585	1.9
81.07043	26.7
83.04964	3.7
83.08598	9.0
85.06535	2.3
89.49570	1.3
91.05470	9.9
93.06484	1.8
93.07033	19.2
94.31313	1.3
95.04964	5.4
95.08597	26.6
97.06516	3.5
97.10149	3.7
103.05437	2.1
105.07018	28.9
105.07690	2.3
107.04958	1.9
107.08571	27.0
109.06503	3.9
109.09392	1.3
109.10138	21.9
111.00787	1.4
111.08066	2.3
111.11683	1.6
115.05402	2.3
117.07019	3.5
119.08570	30.1
119.60334	1.4
121.02860	7.7
121.06477	2.7
121.10132	19.1
123.08066	3.6
123.11705	11.3
125.09503	1.9
128.06189	3.5
129.06982	3.6
131.08527	9.1
133.06534	2.0
133.10120	27.8
135.04405	1.4
135.07993	2.1
135.11674	12.6
137.06007	2.2
137.09581	3.3
137.13252	4.5
142.07768	4.2
143.08543	12.1
144.09285	1.3
145.06439	1.4
145.10098	17.2
147.04292	1.9
147.08104	1.9
147.11676	17.0
149.09622	1.4
149.13196	7.0
151.11188	2.3
151.14758	2.2
153.01817	9.9
156.09297	4.5
157.06459	2.8
157.10106	17.3
159.11676	17.1
161.09610	2.8
161.13211	12.0
163.11194	2.3
163.14803	4.1
164.07007	1.4
165.01799	4.4
165.12692	2.6
169.10077	2.1
170.10922	3.0
171.11674	14.3
171.13011	2.0
172.12231	1.3
173.13232	13.0
175.11174	4.2
175.14748	8.0
177.16400	1.5
179.14343	1.8
183.02875	1.6
183.11665	2.3
184.12471	1.6
185.13223	11.9
187.14754	11.6
189.12793	2.4
189.16377	9.4
191.17854	1.5
199.14812	9.9
200.15468	1.4
201.16396	8.4
203.14284	3.2
203.18004	5.3
211.14720	2.1
213.05424	4.4
213.16374	13.7
215.17934	4.1
217.15926	4.1
217.19437	2.2
218.16599	1.6
219.17390	2.8
226.17072	2.1
227.18027	6.3
229.15773	1.5
229.19476	3.4
231.17404	7.5
233.19208	1.4
241.04938	1.9
241.19443	1.5
243.21288	1.7
245.19075	4.9
257.22708	1.9
258.05170	2.5
259.24167	5.0
269.22610	23.4
287.05481	100.0
287.08829	3.7
287.12442	2.0
287.13013	2.6
287.23645	76.7
288.05765	8.9
288.24039	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
54.04272	0.9
55.01859	3.1
55.02095	0.8
55.05501	1.5
56.96560	24.6
57.03432	6.6
58.99850	1.8
59.04989	2.3
60.95835	1.6
61.02920	9.7
62.03252	1.1
69.03075	1.3
69.03424	17.4
69.85469	4.2
69.85876	1.7
70.03744	3.3
70.98126	0.8
71.01352	1.8
71.04987	5.9
71.95234	1.0
73.02909	9.4
74.03246	1.9
76.34868	0.8
77.00903	1.2
79.95338	0.7
81.03413	7.1
81.04520	0.8
82.03749	1.2
82.99443	0.7
82.99869	2.6
83.01317	0.8
83.05025	1.0
84.96028	1.1
85.02896	30.1
85.06506	0.9
86.03219	5.2
86.06085	0.7
87.04454	5.4
88.04815	1.1
89.00889	0.9
91.02375	2.5
91.03951	2.0
97.01368	1.1
97.02320	2.5
97.02875	19.9
97.52547	0.8
98.03216	4.4
98.05128	0.6
98.21484	1.0
98.97575	20.2
99.04445	3.2
99.97920	1.7
100.04781	0.9
100.99122	3.7
101.00867	28.7
101.02357	1.3
102.96924	1.3
103.00635	0.9
103.02378	1.0
105.00334	1.1
106.02827	4.8
106.53020	1.1
107.01928	0.7
108.04485	1.1
109.02815	5.1
109.04810	1.6
109.07616	2.5
110.03720	1.1
110.97557	2.2
111.02074	0.8
112.99121	13.4
113.00850	1.8
113.99453	2.3
115.00726	1.0
115.02427	14.6
115.03328	2.2
115.04086	0.8
115.53575	1.2
116.01830	1.0
116.98615	10.5
117.04004	1.9
118.02790	1.1
119.01907	100.0
119.51962	0.8
120.02041	2.9
121.01628	1.0
121.03431	0.9
122.03069	0.7
123.04391	1.1
124.02763	1.6
125.03593	2.2
125.53781	0.8
126.04380	3.2
126.05401	3.6
126.52731	0.8
126.54536	1.5
126.77048	0.8
126.98794	1.1
127.00660	1.8
127.02460	1.5
127.03927	23.0
127.04952	1.6
127.05887	2.2
127.08675	8.5
128.02315	1.6
128.03305	0.7
128.04266	1.5
128.07014	1.1
128.98590	5.5
129.03915	4.4
130.53033	1.0
131.00171	17.4
131.01871	12.3
131.03540	1.2
131.53763	1.8
132.00496	2.3
133.00655	0.9
133.01759	1.4
133.03444	34.7
134.03548	0.9
134.99628	4.2
135.03197	1.1
135.05121	1.6
137.02942	22.4
139.03293	1.4
139.53479	1.1
140.02252	0.9
140.04095	1.4
140.54312	1.4
141.53268	0.9
142.03500	2.8
143.00134	1.9
143.01874	12.3
144.98093	0.8
144.99835	3.4
145.01715	6.3
145.03445	7.2
145.04807	3.7
146.02077	1.3
146.99611	3.5
147.01382	2.2
147.03172	0.9
147.04985	6.9
148.03905	2.4
148.53995	1.0
149.01198	10.6
149.03020	3.5
149.06638	1.2
150.01573	1.9
151.04565	5.3
151.53572	0.9
153.00487	1.2
154.03806	4.9
154.54019	3.7
155.01897	2.5
155.53001	1.3
156.04990	0.9
157.03453	5.2
157.04549	1.0
158.99660	3.0
159.01396	2.1
159.05045	1.1
161.01379	2.2
161.02942	52.5
161.06586	2.0
162.03026	1.8
162.99110	0.9
163.02771	9.6
163.04408	16.0
163.05931	1.1
163.06242	0.9
163.54556	11.4
164.03232	1.7
164.04549	1.5
165.00684	1.9
167.02159	1.1
168.99797	6.3
169.04449	8.4
169.54550	10.9
170.04526	2.4
170.99756	1.6
171.01411	5.6
171.05144	1.2
173.01430	1.3
173.02934	10.9
174.99335	0.8
175.00891	2.3
175.02771	2.9
175.04504	2.8
176.03293	1.1
177.00716	2.5
177.02415	2.2
177.05887	1.0
178.04910	38.3
178.55072	39.4
179.02266	1.5
179.05267	7.2
179.55318	1.5
180.04552	1.5
181.03842	4.1
182.53705	0.7
183.05061	0.9
184.04578	1.3
184.55113	1.3
185.02942	4.3
185.04376	0.8
187.00874	22.2
187.02666	1.4
187.04395	6.5
189.00751	1.7
189.02374	13.2
189.06094	1.8
189.55710	2.2
190.05901	3.8
191.02367	1.4
191.03998	11.6
193.02113	1.3
193.03687	6.2
193.55618	1.2
194.04178	1.3
195.01633	0.9
196.99319	3.3
199.00891	9.5
199.02780	1.1
199.04704	2.3
200.54494	1.0
201.00790	1.4
201.02457	3.0
201.04228	0.8
201.06075	1.8
203.00307	1.0
203.04002	3.1
205.01953	8.9
205.03798	1.6
205.05568	1.6
207.03445	3.9
207.05206	1.1
207.06937	6.6
207.55342	1.5
207.57144	15.9
207.59027	1.0
208.05411	1.6
208.07256	4.3
211.04712	3.8
215.00343	23.9
217.01933	23.2
217.03949	1.2
217.05482	1.7
219.01649	5.9
219.03519	7.2
220.56215	1.2
221.05101	3.0
228.57919	1.5
229.01913	6.7
229.05573	2.8
231.03506	2.4
233.01346	3.6
235.02930	1.2
235.06599	2.0
235.56668	5.2
237.02721	9.9
238.03177	2.1
240.03471	0.9
242.55650	2.7
247.02980	20.5
250.07224	0.9
250.57275	2.9
255.03839	1.2
257.01373	2.1
257.05359	1.5
259.02994	1.2
259.06613	6.5
265.03967	6.4
270.04623	1.0
272.11377	1.0
272.56726	2.9
273.06207	0.9
275.02551	0.9
277.04080	3.0
279.57492	1.7
288.59848	15.2
289.04007	4.5
289.07550	3.6
289.10104	5.9
289.14023	0.9
290.12329	1.5
293.05676	1.0
295.07028	3.3
296.07294	1.7
307.04709	3.8
307.08545	1.7
308.07300	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71088	1.2
51.14185	1.0
53.03932	1.3
54.67099	1.1
55.01860	3.4
55.03151	1.2
56.96558	4.9
57.03428	4.2
58.99870	2.0
61.02921	6.0
65.03941	6.4
67.05515	2.4
68.99783	2.6
69.03429	11.3
70.06596	1.5
70.83030	2.3
70.83377	1.6
70.99853	1.4
71.04981	1.5
73.02908	6.9
77.00909	2.1
79.05486	2.1
81.03399	4.7
81.04532	5.7
82.99829	2.2
85.02895	24.1
87.04480	2.2
89.00826	1.1
89.03896	4.0
93.03395	7.3
95.04928	2.1
97.02880	11.7
98.97578	12.2
99.04443	3.4
101.00868	30.4
103.02449	1.3
107.04951	4.5
109.02863	4.9
110.97547	1.6
111.00833	1.2
111.04435	23.3
112.02793	1.4
112.99081	1.2
113.00854	1.8
115.02437	13.8
115.68204	1.2
116.98596	6.9
117.02086	1.3
117.03344	2.4
119.01908	100.0
120.02015	3.5
121.01617	1.6
123.04423	39.3
123.05318	2.0
126.98733	1.1
127.03909	61.4
127.05004	11.4
127.08681	3.6
128.02289	1.4
128.04266	2.0
128.98584	2.5
129.03981	4.1
131.00137	1.9
131.01883	12.8
131.04967	3.3
131.26515	1.1
133.01816	1.3
133.03470	29.5
135.04402	88.2
136.26363	1.1
137.02158	1.4
137.02991	19.8
137.05984	4.3
139.03906	34.7
140.04202	1.1
142.03471	2.1
143.00179	2.9
143.01874	15.4
144.99850	3.4
145.03433	5.8
146.99599	2.9
147.01413	2.9
147.05110	6.8
149.01216	2.5
149.02164	6.9
149.05913	1.9
151.03777	15.5
155.01810	2.8
155.02931	1.6
157.03442	3.6
158.99651	2.1
159.01418	2.0
159.04369	2.5
161.01410	1.9
161.02950	54.0
161.05922	1.8
161.07513	1.2
162.03162	2.8
163.02637	2.6
163.03955	16.9
168.99767	6.8
169.06537	1.4
171.01355	5.4
172.99289	1.6
173.02948	12.6
174.03090	3.0
175.00914	1.5
175.02771	2.6
175.04507	3.6
175.07634	1.4
177.00771	2.2
177.02455	2.1
177.04170	3.4
177.05568	2.7
179.03693	1.6
184.04648	2.2
185.02982	4.1
185.05968	2.2
186.04648	7.0
187.00865	22.2
187.04332	2.1
189.00835	1.3
189.02432	14.0
189.55197	1.9
191.03967	8.5
192.04604	1.5
196.99353	4.4
197.03113	1.7
197.06042	2.6
199.00912	5.7
199.05482	9.1
200.04309	1.5
201.00664	1.4
201.02443	3.2
203.04010	3.6
204.04227	1.6
205.01930	6.4
205.03630	1.5
207.03488	4.8
207.55199	1.2
208.05962	7.7
208.56076	1.9
209.05592	1.8
213.05530	2.6
215.00346	26.2
215.03960	1.8
215.07008	1.8
216.00543	1.7
217.01955	16.7
217.05406	3.5
219.01682	2.1
219.03442	7.1
221.05099	3.4
229.01994	4.4
229.05067	1.5
231.03496	3.0
231.06508	6.5
233.01427	3.9
241.05228	2.1
243.06509	2.5
247.02983	22.6
259.06006	9.9
261.07553	7.1
265.04095	3.3
271.05902	7.7
275.02338	1.4
280.06522	2.4
289.03973	5.3
289.06583	13.5
290.12399	1.3
294.07391	1.2
295.06906	3.3
307.05139	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	289.0702
Annotation	Isookanin
Peak:m/z	Relative Intensity
55.01849	0.9
65.03930	7.5
67.05495	2.7
68.99782	3.0
69.07027	0.9
69.95064	3.5
79.05494	3.0
80.49466	0.9
81.03399	2.9
81.07045	2.6
81.20398	0.8
83.04976	1.5
85.02893	1.3
85.06540	1.3
89.03902	2.7
90.15555	0.7
91.05473	2.2
93.03387	7.2
93.07056	1.9
95.04956	4.0
95.08564	1.0
98.91936	0.9
100.85541	0.7
103.05442	1.9
105.03392	0.9
105.07032	1.4
107.04936	10.6
107.08571	1.0
109.02855	1.9
111.00817	0.8
111.04425	27.7
117.03377	3.2
117.07024	0.8
121.02870	2.6
121.06529	1.1
123.04416	46.9
127.03896	13.9
129.06923	1.0
131.04915	4.2
135.04396	100.0
136.04919	0.9
137.02328	2.9
137.05908	0.9
139.03885	38.7
141.07033	1.2
145.06464	2.4
145.10057	0.9
147.11705	1.0
149.02307	15.3
149.05957	4.5
150.03094	1.5
151.03886	23.1
151.11250	0.9
153.01859	4.4
153.05470	4.2
157.06468	1.3
159.04356	1.8
161.05962	1.4
163.03886	14.6
169.06496	2.1
173.06003	1.1
177.05476	2.0
179.03389	3.1
183.11606	1.3
185.05971	2.1
187.03859	1.5
187.07593	1.5
197.05980	2.7
201.05461	1.7
203.07095	0.8
205.04947	1.2
213.05434	3.2
215.07027	3.8
225.05461	1.5
227.76143	0.8
230.34996	0.9
231.06471	9.3
241.04990	1.5
243.06531	4.0
258.05255	1.0
259.06049	11.5
261.07535	8.4
271.06058	7.1
289.06769	10.8
289.10620	1.8
289.18002	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	Neoplathymenin
Peak:m/z	Relative Intensity
50.91098	0.7
53.03945	1.9
55.01852	1.1
65.03931	3.9
67.05493	3.1
68.99783	2.9
69.88580	4.4
77.03922	1.1
77.98372	0.7
79.05460	1.1
81.03404	1.9
85.02860	0.9
87.79176	0.9
89.03898	3.6
93.03416	4.5
95.04972	3.0
97.02910	1.1
105.03351	2.9
105.06952	1.1
107.04933	8.0
111.04426	14.4
117.03333	4.3
121.02827	1.9
123.04416	100.0
127.03879	9.0
131.04916	2.1
135.04398	66.0
137.02350	2.5
137.05983	1.2
139.03886	40.4
141.06958	1.2
143.06219	0.9
145.02835	3.0
147.04396	0.9
149.02335	12.5
149.06007	1.6
151.03882	15.2
153.01811	5.9
157.06505	0.8
159.04411	2.8
163.03883	30.8
167.03395	1.5
169.06493	1.7
173.05948	2.0
177.05446	2.1
179.03381	2.3
185.05946	2.0
187.03905	4.6
196.09962	0.9
197.05954	3.6
201.05495	1.7
205.04930	3.9
213.05438	1.6
215.07031	7.6
216.07431	0.9
225.05475	1.8
229.04854	1.0
231.06595	2.5
241.04791	1.5
243.06546	12.7
245.04402	3.8
259.06021	7.6
261.07651	4.9
271.05984	10.9
289.07047	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	Isookanin
Peak:m/z	Relative Intensity
54.93706	0.7
55.01846	1.3
65.03932	8.5
67.05482	2.3
68.99776	3.3
70.77402	1.5
70.77755	0.8
79.05479	1.7
85.08267	0.7
89.03903	4.0
93.03403	9.8
95.04964	3.5
105.03384	1.3
107.04958	5.4
111.00821	1.6
111.04437	26.0
111.05209	1.3
117.03372	3.3
121.02864	2.4
123.04418	55.4
127.03903	15.0
129.07022	0.8
131.04924	3.1
135.04405	100.0
137.02376	4.1
139.03891	37.1
145.06552	0.8
145.79530	0.8
147.04420	1.3
149.02327	14.3
149.05923	1.7
150.03085	2.2
151.03888	22.5
157.06453	1.5
159.04414	2.5
159.90219	0.8
161.05896	0.9
163.03897	15.0
169.06546	1.5
171.36308	0.8
173.06003	1.5
177.05467	2.9
179.03432	1.5
185.06013	3.3
187.03864	1.1
188.89600	0.8
196.87512	0.7
197.06044	2.9
201.05553	1.6
203.07007	1.2
205.05013	1.6
213.05579	3.6
215.07031	2.1
217.04893	1.4
225.05479	0.9
231.06500	12.8
241.04965	3.0
243.06549	2.7
245.04401	1.0
259.05972	13.2
261.07523	7.2
270.47620	0.8
271.05954	6.6
289.07010	7.8
289.09946	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0698
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
53.03932	1.7
55.01865	4.5
56.96556	5.0
57.03432	4.0
57.40779	1.2
58.99852	2.8
61.02929	7.0
65.03949	7.5
67.05504	2.2
68.99762	3.3
69.03425	11.9
70.53030	5.5
70.99839	1.6
71.04974	1.9
73.02917	6.0
81.03412	5.7
81.04533	5.2
82.99860	2.3
85.02898	23.2
86.99297	1.4
87.04468	3.2
89.03908	4.6
93.03396	6.5
95.04970	4.3
97.02881	13.9
98.03173	1.7
98.97581	12.0
99.04453	3.8
101.00866	31.7
105.00363	1.5
105.03410	1.8
107.04942	6.4
109.02847	3.3
110.01276	1.9
111.04431	24.8
113.00859	2.9
115.02415	13.8
116.98626	4.8
117.03349	3.4
119.01912	100.0
120.02007	2.9
121.02928	1.7
123.04420	41.7
127.03929	58.1
127.05013	10.4
127.08684	3.4
128.04239	1.9
128.98616	2.1
129.03952	3.5
131.00160	1.7
131.01877	10.4
131.04971	3.2
133.03471	27.5
134.99710	1.8
135.04398	91.7
137.02983	18.7
137.05974	4.2
139.03899	34.3
143.01878	18.1
144.99878	3.0
145.03439	7.6
145.04951	1.8
146.99612	2.9
147.01425	3.5
147.03198	2.1
147.05005	6.1
149.02206	10.2
149.05864	1.9
151.03743	11.7
155.01837	2.3
155.02911	2.9
157.03452	3.9
157.06430	2.1
158.99649	2.9
161.01501	2.8
161.02951	57.7
162.03075	1.9
163.02655	2.7
163.03854	20.8
168.99782	9.5
170.03362	1.7
170.99736	2.0
171.01408	6.3
173.02959	12.3
173.05943	2.2
174.99196	1.5
175.00845	3.0
175.04552	4.6
177.00760	3.3
177.02544	3.3
177.04094	4.3
177.05504	2.5
178.04985	2.0
179.03690	1.7
185.02943	4.5
185.05876	2.0
186.04646	11.2
187.00912	22.2
187.04301	3.2
189.02422	17.2
189.54958	1.6
191.04004	13.4
193.03555	2.1
196.99278	4.0
197.03099	2.1
197.05986	3.2
197.55466	2.5
199.00858	6.3
199.05383	6.2
201.00795	1.8
201.02437	4.7
203.04021	3.8
205.01955	8.3
207.03473	4.5
208.05888	9.1
209.03432	1.9
209.05595	2.2
213.02472	1.6
215.00369	27.7
215.03854	2.4
216.81978	1.5
217.01967	17.2
217.05373	2.0
219.01674	2.1
219.03477	7.2
221.05016	2.3
229.01961	6.0
231.03574	4.4
231.06519	7.8
233.01416	4.1
241.05305	2.6
243.06551	2.7
247.02960	28.6
247.05443	2.0
253.05975	4.1
259.03452	2.4
259.06091	9.0
261.07599	5.2
265.03958	7.3
271.06006	8.1
275.02563	1.6
280.56546	1.7
289.03964	4.8
289.07101	13.3
290.12289	2.1
295.07007	2.9
307.05103	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	289.0705
Annotation	Isookanin
Peak:m/z	Relative Intensity
52.96529	0.8
53.03943	1.4
55.01858	2.0
57.03454	0.9
64.61115	0.9
65.03935	7.0
67.05492	3.1
68.99770	4.6
70.49628	3.1
73.79012	0.7
77.03909	2.0
79.05466	2.1
81.03416	1.9
81.07072	1.4
83.04961	1.0
85.06525	1.6
89.03922	3.1
91.05444	0.9
93.03402	6.8
95.04942	5.8
97.02905	1.4
103.05491	2.0
105.03381	2.7
107.04955	9.1
109.02869	2.1
111.00780	2.1
111.04440	23.7
111.05200	1.5
115.05413	1.1
117.03344	5.5
121.02844	1.7
123.04420	100.0
123.16122	0.9
127.03901	18.3
129.06989	1.0
131.04924	4.1
132.08418	1.0
135.04405	84.2
137.02318	3.7
137.05869	1.0
139.03894	50.0
141.06960	2.1
145.02846	2.8
145.06502	1.3
146.55121	0.9
147.08107	1.0
149.02332	10.2
149.05968	2.1
151.03885	19.9
153.01834	6.7
157.06490	1.3
159.04391	3.2
161.05969	1.1
163.03896	27.3
167.03293	1.4
169.06485	2.0
173.06000	2.3
177.05473	2.2
179.03444	2.1
185.05931	1.5
187.03906	2.9
187.07553	1.0
197.06013	5.6
201.05370	2.1
205.04919	3.7
213.05453	2.5
215.07001	4.0
225.05489	1.9
229.04976	2.5
231.06541	5.9
241.04904	1.3
243.06540	7.4
245.04495	4.2
259.06058	9.1
261.07599	7.2
271.05963	8.4
289.07043	16.6
306.54675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0704
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
52.17132	1.1
53.03931	1.8
53.44992	1.2
63.06671	1.4
65.03929	9.8
67.04516	1.3
67.05478	3.2
68.99783	3.6
69.03432	1.5
70.90900	2.3
70.91216	1.6
77.59582	1.3
79.05504	1.6
81.03413	1.5
85.06514	3.2
89.03889	4.1
93.03391	11.3
95.04959	5.6
106.73530	1.5
107.04945	32.7
111.04433	30.0
117.03378	3.2
121.02860	7.3
123.04416	46.3
127.03917	11.3
131.04932	3.0
131.08598	1.3
135.04402	100.0
137.02319	4.1
139.03889	46.4
141.06941	1.8
147.04405	1.6
149.02327	35.4
149.05927	1.5
151.03899	19.0
153.01822	31.6
163.03893	11.2
167.03442	2.3
169.06476	3.9
173.06042	1.5
179.03406	1.5
185.06111	1.6
187.07513	2.1
195.02939	4.1
197.05969	2.9
201.05441	1.5
213.05515	4.4
215.06996	20.9
215.08865	1.8
231.06563	6.1
243.06534	22.6
259.05991	9.2
261.07559	5.6
271.06012	11.2
289.06900	8.6
289.10318	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0702
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
52.84633	0.8
53.03931	1.0
55.01849	0.9
59.88102	0.7
64.90096	0.7
65.03926	6.7
67.05474	1.0
68.99797	4.3
70.75979	0.9
70.76311	2.4
79.05463	1.9
81.03392	2.5
84.88737	0.8
85.02903	1.1
89.03915	5.1
93.03384	7.7
94.68166	0.7
95.04932	2.3
97.04009	3.2
103.05433	1.1
107.04962	5.7
109.02848	2.1
111.00780	1.3
111.03709	1.7
111.04427	22.1
117.03352	2.4
121.02853	1.4
123.04411	42.4
125.03458	3.2
127.03906	47.5
129.07007	1.4
130.06502	1.0
131.04880	4.4
135.04399	100.0
136.04739	1.0
137.02307	2.8
139.03885	32.0
141.06990	2.5
145.02698	1.0
147.04402	2.2
149.02330	7.9
149.05948	3.4
150.03117	0.9
151.03891	13.9
155.04951	0.9
155.08514	1.0
157.06516	2.0
159.04385	4.0
161.05923	2.6
163.03894	27.5
165.07051	1.0
169.06493	1.8
173.05977	2.5
175.07500	2.2
177.05460	3.2
179.03340	1.9
183.08090	1.0
183.28517	0.7
185.05946	1.8
187.03871	3.2
187.07556	0.9
189.09085	0.9
191.07072	0.9
197.05940	3.9
198.06827	1.1
201.05449	1.8
203.06970	1.5
205.04997	2.2
213.05458	3.0
215.07054	1.5
217.04916	0.9
225.05537	1.0
229.04921	1.7
231.06456	6.2
241.04947	1.4
243.06509	2.7
247.06049	0.9
259.05966	8.6
261.07623	7.0
271.06006	9.8
272.06485	0.9
289.07037	16.3
289.10349	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0915
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03931	0.5
53.40141	0.4
55.01850	0.7
60.90006	0.3
61.02911	0.5
65.03915	0.5
69.03419	1.8
70.23299	0.4
70.91982	0.7
70.92356	0.7
71.04987	0.3
71.25407	0.3
73.02915	0.4
81.03403	1.1
82.74699	0.3
85.02898	4.5
85.53696	0.4
93.03377	0.4
97.02878	1.4
107.05022	0.3
109.02845	0.6
111.04415	2.3
123.04415	4.5
127.03904	100.0
128.04256	1.8
135.04399	8.9
139.03896	3.5
145.04938	0.7
149.02336	1.0
151.03883	1.7
163.03894	1.8
178.00906	0.4
182.47987	0.4
197.05971	0.5
231.06499	0.6
259.06177	0.5
265.74884	0.5
271.06091	0.7
277.59351	0.4
289.07019	1.1
289.12494	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.01865	0.8
55.78210	0.4
56.96556	1.8
57.03421	0.9
57.26187	0.4
59.04990	0.4
61.02912	1.3
61.38908	0.4
65.03937	2.1
67.05494	1.0
68.99781	1.1
69.03418	2.5
69.84759	1.8
71.01319	0.4
71.04989	0.4
73.02910	0.6
79.05486	1.4
81.03402	1.7
81.07037	0.9
83.04985	0.6
85.02435	0.6
85.02897	6.1
87.04457	1.0
89.03902	1.7
91.05478	0.7
93.03392	1.8
93.07027	0.8
95.04955	1.0
97.02896	2.9
98.97566	2.0
99.04420	0.5
103.05443	0.6
105.07012	1.0
107.04966	2.8
109.02871	1.9
111.04426	9.7
111.05596	0.9
115.05389	0.6
116.98597	1.7
117.03379	1.0
119.01888	0.9
121.02837	0.8
123.04418	17.7
127.03901	100.0
128.04207	1.2
131.01923	0.6
131.04921	0.7
134.99631	0.7
135.04396	35.1
136.04721	0.9
137.02313	1.4
137.05949	1.0
139.03889	13.5
141.06673	1.0
143.08595	0.4
145.04968	0.7
147.04350	0.5
149.02312	4.0
149.05997	1.4
151.03877	7.5
155.03389	0.4
157.06447	0.8
158.99651	0.4
161.06038	0.6
163.03906	7.0
164.04179	0.6
165.05586	0.5
168.09319	0.5
168.14236	0.4
169.06487	0.5
173.05956	1.2
177.00703	0.4
177.05510	0.9
179.03351	0.7
183.11710	0.9
185.05994	0.8
187.03865	0.8
187.08098	0.6
193.04425	0.4
197.05980	1.0
199.08203	1.0
201.05452	0.9
201.12878	0.4
205.04994	0.7
213.05432	1.1
215.06999	1.1
217.09221	0.6
219.01793	0.4
221.05104	0.7
229.05023	0.5
229.09192	0.5
229.12172	0.9
231.06622	2.6
231.08476	0.5
237.02766	0.8
241.04893	0.7
243.06490	1.7
259.05978	4.6
261.07571	2.5
267.00238	0.6
271.03351	0.4
271.05872	2.1
271.16452	1.0
289.06866	2.8
289.09140	2.3
289.12460	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	289.1067
Annotation	1-Hydroxy-3-(4-hydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)-2-propanone
Peak:m/z	Relative Intensity
51.02371	0.7
53.03932	1.6
55.01849	1.2
55.05498	1.0
57.07066	1.2
65.03931	5.8
67.05492	6.8
68.99497	0.5
68.99783	6.2
69.03416	1.0
69.07063	0.8
69.59604	4.0
71.04974	1.4
77.03914	0.7
79.05477	6.4
81.03404	4.2
81.07043	4.0
83.04981	0.8
83.08626	0.8
85.02884	0.7
85.06511	2.0
89.03897	2.8
89.35164	0.6
91.05473	3.5
93.03384	4.5
93.07029	3.6
94.04157	1.2
95.04954	9.2
95.08601	3.3
97.06497	1.8
98.21451	1.3
103.05452	5.5
105.07021	2.3
107.04939	33.1
107.08577	2.4
109.02872	1.9
109.06500	2.3
109.10117	1.8
111.04427	21.1
111.05192	0.8
111.08112	0.6
115.05440	1.1
117.03352	2.3
119.04884	0.7
119.08555	2.3
121.02843	1.7
121.06484	8.3
121.10153	2.0
123.04416	34.0
123.11694	1.0
125.06012	1.3
127.03909	7.7
131.04913	4.0
131.08540	1.7
133.10104	1.9
135.04395	67.8
135.11635	1.0
136.04738	1.4
137.02321	2.5
137.05948	2.1
139.03880	28.8
141.05409	5.8
141.06999	1.1
145.06490	3.9
145.10109	1.0
147.11652	1.1
149.02325	6.9
149.05962	31.0
150.06325	0.9
151.03880	15.0
153.05446	100.0
154.05788	1.1
155.08606	0.7
157.06456	1.8
157.10101	1.1
159.04366	1.2
159.11626	0.9
161.05899	0.7
163.03871	10.8
163.07518	1.5
165.05435	0.9
167.07013	1.2
169.06465	1.0
173.05980	2.2
173.13268	0.7
177.05431	1.7
179.03374	2.2
183.06508	2.4
183.11607	0.9
185.05956	1.2
197.05969	1.3
201.05467	0.8
209.77802	0.6
213.05441	2.9
215.06952	1.8
225.05397	0.8
229.04921	1.0
229.08463	1.0
229.12128	1.1
231.06531	5.4
241.04967	1.2
243.06548	1.2
246.13805	0.6
259.06012	7.7
260.06403	0.6
261.07446	5.0
271.06000	3.5
271.13696	0.8
271.24103	1.0
289.06552	7.2
289.10779	4.1
289.14682	1.0
289.18121	1.3
289.21680	1.2
289.25113	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96469	4.9
55.05499	5.6
56.96550	11.5
57.03426	7.9
60.68118	5.2
61.02909	6.1
62.25331	4.5
67.05504	5.8
68.05016	7.1
69.03419	12.9
69.47491	4.9
69.47716	9.7
69.48117	31.5
73.02913	5.8
73.56075	5.7
77.50729	5.1
82.06554	25.8
84.08135	10.3
85.02905	19.5
87.50678	4.9
96.08125	7.5
97.02875	12.9
98.21476	10.0
98.97587	14.0
100.07672	6.3
101.00871	10.0
102.00952	6.8
118.59332	5.4
119.01921	19.2
120.01981	22.7
121.01641	6.7
123.04434	5.7
127.03938	18.0
127.08675	5.6
128.07094	37.2
130.16835	5.3
131.01842	16.5
134.03604	10.8
135.04343	6.4
136.04758	6.1
137.03023	6.0
137.05954	8.2
138.03061	5.2
140.07092	8.6
142.08604	8.3
143.01921	5.2
149.02943	6.8
157.03430	6.1
161.01158	5.8
161.02962	18.5
162.03128	23.1
173.02985	10.2
188.00978	11.9
216.00516	12.5
221.04945	6.1
248.03142	11.7
254.10204	12.7
272.11288	22.0
290.06519	47.4
290.12256	100.0
290.15289	8.3
291.10889	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1748
Annotation	Mesembrine
Peak:m/z	Relative Intensity
53.03947	0.6
55.05500	1.3
56.05032	2.5
56.96552	0.6
57.02144	0.5
57.07063	2.1
58.06600	0.9
60.04516	0.5
65.03931	1.4
67.05501	7.4
69.07072	4.1
69.73607	3.0
71.08616	0.9
74.06077	1.6
79.05494	1.9
81.07049	1.5
82.06569	2.2
83.04988	0.9
83.08626	0.7
85.08531	0.5
88.07629	6.5
91.05468	0.9
93.03391	1.8
93.07035	2.3
95.08594	1.5
97.06509	2.3
105.07033	0.6
106.36750	0.5
107.08571	3.0
109.10163	1.5
109.62598	0.5
110.06036	26.8
111.04434	10.9
118.08636	1.0
121.10065	0.5
122.08121	1.0
123.04437	3.5
125.65381	0.5
135.04442	1.0
135.11690	3.1
136.04753	0.6
137.05975	1.2
138.05490	100.0
139.03885	3.2
139.05789	0.8
145.06406	0.9
146.06810	0.5
153.12756	0.5
161.06044	0.5
163.07555	1.8
168.13832	0.8
174.06657	0.5
177.09128	0.8
187.07582	0.6
189.09177	0.9
199.07793	0.5
226.11148	0.9
231.10321	1.0
242.24760	7.3
244.12221	0.6
255.13823	0.6
272.25732	0.6
290.14401	0.9
290.17514	4.8
290.26886	19.3
291.08789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19694	3.6
56.96520	5.2
69.18274	3.9
71.03131	4.5
71.03471	7.7
85.02891	6.9
98.97601	4.9
101.00876	7.7
103.00591	3.7
119.01898	20.1
121.01657	6.4
128.98570	5.1
131.01872	8.9
133.03439	4.5
139.03870	9.7
143.01904	4.6
145.03450	7.2
147.05020	10.3
155.01930	4.5
161.02953	13.6
163.02667	5.1
164.49178	3.5
171.05048	7.5
173.02974	12.2
175.41385	3.8
189.06082	13.0
201.06076	15.2
203.03992	5.4
221.05124	4.5
291.10797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0859
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02389	0.4
53.03918	0.5
55.01613	0.3
55.01847	1.8
65.03945	0.9
67.05502	1.1
68.99793	2.1
71.00267	1.1
77.03960	0.3
83.04978	1.3
85.02917	0.6
91.05466	1.7
93.03383	0.9
95.04964	3.0
97.02893	0.6
105.03419	0.7
105.07012	0.7
111.04442	3.1
115.05447	1.5
119.04942	5.6
121.02888	0.5
122.56847	0.4
123.04416	67.1
124.04788	1.1
127.03931	1.3
127.97559	0.4
131.04823	0.4
133.06517	0.9
135.04385	0.5
137.02322	1.0
137.05933	0.5
139.03886	100.0
140.04205	1.9
143.04910	2.7
145.84741	0.4
147.04395	21.4
148.04706	0.5
151.03923	2.4
151.07532	0.5
153.05463	0.6
159.04306	0.5
161.05977	7.0
163.03879	2.1
165.05466	14.8
169.04964	1.8
177.05455	1.0
179.07039	3.9
181.04903	0.6
189.05487	1.8
207.06512	7.5
216.37514	0.4
239.21703	0.5
249.07573	1.3
273.07587	1.3
279.82706	0.4
291.08533	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	291.0858
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
52.88645	0.5
53.36748	0.5
55.01847	1.8
57.72808	0.6
60.23008	0.6
65.03919	1.5
67.05495	1.4
68.99786	1.9
69.22607	5.1
81.03406	0.6
83.04983	1.2
89.51643	0.6
91.05473	1.3
93.03383	1.5
95.04966	2.8
106.04494	0.5
111.04433	2.5
115.05428	1.3
119.04930	5.7
123.04416	67.0
124.04745	0.8
127.03865	1.3
133.06406	0.9
135.04430	0.7
139.03885	100.0
143.04915	2.8
147.04390	21.2
151.03879	1.9
161.05971	8.0
163.03914	1.2
165.05460	12.5
169.04961	1.2
177.05411	1.1
179.07016	2.9
181.04910	1.1
189.05426	1.7
203.06995	0.8
207.06514	6.7
222.81673	0.6
249.07607	1.3
273.07465	1.0
291.08496	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	291.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95721	0.5
53.03959	0.5
56.96558	5.7
57.03441	0.7
58.99887	1.0
69.03424	2.4
69.83500	3.0
71.05035	0.7
73.02938	0.7
81.03436	1.6
81.77487	0.4
82.99888	1.9
84.96046	2.1
85.02908	4.4
86.99370	0.8
88.75413	0.5
94.99839	0.6
97.02883	3.5
98.20892	0.8
98.97575	5.1
99.04443	0.8
101.00870	22.6
102.97033	0.6
103.00642	1.0
103.02457	1.8
105.00373	1.2
109.02901	1.0
110.97574	1.1
111.05538	0.7
113.00848	6.1
115.02444	2.2
116.83813	0.5
116.98627	3.5
117.02187	0.8
117.04047	0.6
119.01907	58.3
120.02038	1.5
121.01662	3.8
121.03497	1.3
124.99100	0.8
127.02394	1.4
127.03940	1.4
128.98624	1.4
129.03993	1.7
129.06587	1.7
130.08655	0.8
131.01892	33.7
132.01997	0.6
133.03423	5.1
134.99637	0.7
135.03180	0.7
135.04993	0.6
137.02950	10.0
138.03049	0.6
139.02553	1.1
139.03853	0.5
142.01103	0.6
142.03432	0.9
142.99213	0.6
143.00233	3.2
143.01874	23.3
145.01703	1.2
145.03450	11.6
145.04736	0.7
146.99596	1.4
147.01399	0.8
147.03174	0.7
147.05014	13.1
148.05081	0.7
149.01135	0.7
149.02922	6.1
151.04443	0.7
153.04051	0.7
154.03589	0.8
155.01881	12.8
156.02582	0.9
157.03461	8.9
158.55380	0.6
159.01450	1.2
159.05032	2.5
160.02158	0.6
161.01381	3.1
161.02939	100.0
162.03043	3.1
162.99197	1.4
163.02570	2.8
163.04555	3.1
165.06088	5.2
167.01918	2.2
167.07002	0.6
169.03436	1.2
170.99570	0.8
171.05003	4.8
173.02940	35.8
174.03064	0.9
175.02930	0.9
175.04514	6.0
177.00729	0.6
177.06129	0.7
178.04912	0.7
179.02364	1.0
179.03999	4.1
181.03644	0.8
183.05008	2.3
184.04509	2.4
185.02940	19.0
185.06538	1.9
186.03055	1.1
187.04488	4.1
189.00639	0.9
189.06055	15.2
191.02180	1.7
191.03960	13.0
191.07642	0.6
196.02150	0.9
196.04428	0.8
196.54704	0.6
197.02956	4.0
197.06635	0.6
201.00630	0.6
201.06061	18.9
202.06227	0.7
203.03981	17.1
203.07599	5.0
207.01637	0.5
213.06046	2.1
215.03944	1.5
215.07631	0.7
217.00188	1.0
217.05469	0.7
219.01756	2.4
219.05070	0.5
219.07130	8.3
221.03130	1.0
221.05040	7.7
223.01089	1.1
225.06134	2.8
227.04016	0.8
231.01691	0.9
231.07098	4.0
232.07303	0.8
233.04822	0.5
233.08813	0.6
237.02826	1.3
242.08684	0.6
243.07103	1.2
245.05070	6.0
248.99165	1.0
249.02684	1.4
249.08168	1.5
261.08090	1.2
263.05893	1.5
267.00012	0.7
267.03702	0.5
267.09079	1.0
273.08176	1.3
284.05978	0.5
291.09149	88.7
292.09338	5.2
309.10190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01860	3.4
55.05508	12.7
55.72095	1.2
56.96561	1.3
57.03419	2.2
57.07061	4.4
59.04996	3.5
60.23673	1.3
61.95274	1.4
67.05496	13.0
68.99751	1.7
69.03416	4.7
69.03776	1.3
69.07072	9.5
70.74712	2.8
70.75095	2.6
71.04982	6.1
78.57397	1.3
79.05090	2.0
79.05490	13.3
81.03400	2.9
81.06637	2.1
81.07059	21.1
83.04977	4.3
83.08613	14.1
85.02903	3.1
85.06543	2.4
85.95572	1.3
88.62337	1.5
91.05470	12.8
93.07037	21.6
93.28626	1.3
95.04967	12.3
95.08040	2.5
95.08599	27.6
97.06519	6.4
105.07018	18.2
107.04937	14.8
107.08601	15.7
109.06521	12.3
109.10154	9.1
111.04430	4.1
111.08076	41.2
113.09625	2.9
115.05483	1.3
117.07024	2.8
119.04905	4.0
119.08570	15.5
121.06484	4.6
121.10126	11.8
123.04420	41.7
123.08060	41.2
123.11692	4.9
124.04887	1.5
125.09593	3.3
129.07008	2.4
131.08582	8.1
133.06487	6.1
133.10085	12.6
135.08034	7.8
135.11673	6.5
137.05923	2.2
137.09598	4.5
139.03894	64.4
142.07845	1.9
143.04918	1.8
143.08571	4.9
145.10089	7.9
146.11002	1.3
147.04366	13.0
147.08017	4.8
147.11716	8.6
149.09624	9.6
149.13246	4.4
151.04005	3.3
151.07532	100.0
152.07967	1.8
155.10626	2.8
157.10130	4.7
159.08035	2.1
161.05966	5.9
161.09630	4.7
161.13216	2.5
163.11147	4.6
163.14810	2.8
165.05472	11.9
165.09085	2.1
169.10141	2.7
171.11705	4.5
173.09615	2.4
173.13213	7.7
174.10466	2.2
175.11189	5.5
175.14877	2.5
177.09097	2.5
179.07034	3.1
179.10674	5.2
179.88857	1.2
181.12225	2.9
185.13254	1.5
187.14838	2.1
189.12718	26.1
191.14278	16.2
192.11441	5.7
197.11732	12.4
197.13274	2.6
199.11128	2.0
205.08615	1.5
205.12184	2.2
207.06609	3.4
207.13780	66.4
212.23650	1.4
213.16394	2.0
215.14333	3.1
217.12283	3.6
231.17477	2.5
233.15346	36.1
235.13203	1.9
255.17375	2.7
273.18488	7.1
291.08719	4.4
291.16156	3.3
291.19531	51.8
291.22922	2.3
291.26849	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	291.1951
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
50.42337	0.9
53.03938	1.6
53.51111	0.9
55.01862	2.1
55.05503	6.5
56.14896	0.8
57.03436	1.2
57.07055	3.5
59.02618	1.1
59.04987	1.7
61.56887	0.9
63.43405	1.0
66.24928	1.0
67.05499	8.2
68.99780	1.2
69.03412	1.7
69.07047	3.7
69.77599	6.7
71.04988	3.7
79.05467	5.4
81.03367	1.1
81.07049	11.2
83.04964	2.5
83.08609	4.5
85.02888	1.2
85.06527	2.5
91.05455	6.3
93.07040	14.5
95.04951	4.8
95.08588	18.9
97.02836	1.4
97.06534	3.6
98.20831	1.6
105.07018	13.5
107.04953	4.5
107.08583	8.6
108.05711	1.2
109.06479	6.4
109.10151	5.0
111.04404	2.2
111.08064	25.3
115.05399	1.1
117.07043	2.0
119.04900	2.9
119.08569	8.1
121.06493	3.3
121.10134	6.5
122.07244	2.4
123.04424	19.5
123.08056	32.3
123.11700	2.7
131.08549	4.8
133.06450	3.1
133.10114	7.5
135.08026	5.9
135.11661	4.2
137.06038	1.3
137.09584	3.0
139.03888	29.5
141.05470	1.2
141.07002	1.1
142.07835	1.3
143.08554	2.2
145.06509	1.4
145.10112	11.2
147.04401	6.9
147.08040	2.8
147.11659	6.6
149.09595	5.6
149.13210	2.6
149.77875	1.2
151.07529	100.0
157.10147	3.7
159.08034	2.4
159.11678	3.2
160.08842	1.3
161.05984	2.1
161.09627	3.6
161.13179	3.0
163.11182	3.9
163.14676	1.5
165.05411	4.9
171.11668	3.9
172.93402	1.3
173.09607	1.1
173.13237	4.5
174.10391	2.4
175.11188	4.7
177.09143	2.3
177.12766	1.6
179.07018	1.4
179.10631	6.6
181.12257	1.4
185.13268	1.1
187.11215	2.2
187.14743	2.0
189.12723	27.7
191.10585	1.9
191.14279	4.4
192.11452	4.8
197.11696	16.3
197.13287	2.1
203.14024	1.0
203.71829	1.0
207.06537	1.8
207.13777	69.8
213.16406	1.6
215.14365	3.4
217.12222	4.2
220.80869	1.1
229.23581	1.5
231.17490	2.1
233.15341	12.1
255.17453	2.9
273.07556	1.3
273.14902	1.0
273.18448	6.4
273.25763	1.3
291.08618	2.2
291.16098	2.1
291.19516	42.1
291.22833	2.0
291.26941	5.3
304.10699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.58014	1.6
52.32876	1.6
53.03930	4.3
54.10152	1.5
55.05505	20.4
65.03931	2.2
67.05499	38.1
69.03400	1.8
69.07067	16.8
70.00965	9.1
79.05486	70.3
80.05789	1.4
81.07052	54.3
83.04960	2.4
83.08614	8.8
85.06532	3.6
91.05473	31.8
92.88385	1.6
93.07039	100.0
95.01214	1.5
95.04976	7.2
95.08598	35.1
96.25187	1.5
97.06513	2.7
97.10162	4.2
99.08086	2.6
101.35175	1.5
105.04456	1.7
105.07031	17.1
107.08585	53.0
109.10142	15.4
111.08058	1.7
117.06995	4.0
119.08586	13.0
121.10136	46.6
123.11702	3.1
125.09681	2.3
129.06955	2.4
131.08562	6.4
133.10114	15.6
135.08133	1.8
135.11685	58.4
137.09599	2.4
143.08562	2.1
145.10098	4.1
147.11674	9.6
149.09567	3.7
149.13245	40.5
152.91507	1.7
159.11681	5.3
161.13264	11.0
163.11180	4.6
163.14828	12.5
165.12863	1.8
171.11670	4.0
173.13184	2.7
175.11229	2.0
175.14783	7.3
177.12756	3.4
177.16325	1.5
185.13297	3.9
189.12778	2.0
195.13792	1.8
199.14767	1.9
203.14334	2.5
209.15320	2.5
213.16342	2.6
215.17862	1.8
217.15802	1.8
217.19501	2.7
221.15338	2.0
235.17067	2.0
241.19501	5.5
249.18486	2.1
259.20569	10.3
291.23178	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2678
Annotation	Arachidonyl alcohol
Peak:m/z	Relative Intensity
53.03936	2.6
55.05507	20.3
57.03427	2.1
57.07065	22.9
65.03952	1.8
66.42104	1.7
67.05496	42.0
69.03433	2.1
69.07058	47.1
71.04310	4.2
71.04993	3.2
71.08629	14.4
79.05486	21.9
81.03402	13.3
81.07046	88.7
83.04982	2.9
83.08606	24.9
85.06514	4.0
85.10172	3.6
91.05463	17.1
93.07032	40.6
95.04964	19.8
95.08593	93.1
97.06536	5.6
97.10169	13.4
99.08067	3.1
105.07024	25.8
107.08578	30.8
109.06484	4.0
109.10146	43.5
111.04374	1.8
111.08080	5.6
111.11697	5.4
111.63084	1.7
116.10101	1.8
119.08561	18.8
121.10130	26.6
123.04410	21.9
123.08091	4.0
123.11691	26.6
123.23996	1.6
125.09647	4.0
133.10106	14.6
135.11684	25.0
137.09621	4.2
137.13240	12.9
139.03899	28.0
139.11087	2.5
140.04272	2.2
146.52728	1.8
147.04353	8.1
147.11694	19.3
149.13235	21.8
151.03894	2.5
151.11154	4.0
151.14819	5.2
161.05937	2.1
161.13182	10.1
163.03889	1.7
163.14825	13.2
165.05435	3.1
165.12758	4.8
165.16389	3.1
175.14835	8.2
177.16367	7.1
179.17851	2.2
189.16367	6.8
191.17964	3.2
203.17909	3.9
207.06450	3.6
216.01071	1.6
217.19429	9.3
231.21078	2.9
248.23697	1.8
273.22751	2.2
273.25735	31.9
291.08426	1.7
291.26770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2679
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03936	4.0
53.66933	2.0
55.01868	2.5
55.05502	22.9
57.07068	18.1
65.03927	3.6
67.05500	37.1
69.07060	42.4
69.70734	3.6
69.71132	10.8
70.37446	1.9
71.04967	3.2
71.08624	10.2
79.05482	27.0
81.03407	4.5
81.07048	100.0
83.04981	3.3
83.08607	20.1
85.06527	5.4
91.05469	16.6
93.06480	3.7
93.07035	55.0
93.07630	3.0
94.85596	1.7
95.04954	8.1
95.08597	94.9
97.06515	2.2
97.10161	12.3
99.08052	3.0
105.07021	29.5
107.08579	56.9
109.06512	3.4
109.10146	46.8
111.08112	2.3
111.11702	4.8
119.08576	22.3
121.10130	37.6
123.04417	26.8
123.08045	4.8
123.11697	22.9
127.11131	2.1
133.10106	16.9
135.11668	34.8
137.09628	3.0
137.13228	7.9
139.03879	35.9
147.04413	13.3
147.11665	20.3
149.13251	43.1
151.11235	2.8
151.14809	5.8
161.05954	4.7
161.13275	13.6
163.14795	15.2
165.05437	5.5
165.12741	4.6
175.14838	5.1
177.16338	5.2
189.16347	10.0
191.17937	2.7
203.17888	6.1
205.19524	2.6
207.06516	3.3
217.19479	8.2
233.22668	3.3
247.24266	4.6
273.25711	31.2
288.99280	2.4
289.85870	1.9
291.15659	3.3
291.20044	2.5
291.26819	76.5
297.50449	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2679
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03923	5.8
55.01857	3.3
55.05507	44.9
57.03414	1.6
57.07067	13.5
59.04983	1.6
65.03944	2.6
65.67075	1.3
67.05496	35.7
68.99771	1.8
69.03419	4.0
69.07063	70.1
69.34005	12.4
71.04982	3.3
71.08609	6.7
72.25590	1.3
78.06407	1.7
79.05483	20.4
81.03398	6.1
81.07047	88.9
83.04974	25.1
83.08608	29.5
85.06545	3.0
85.10154	1.6
86.97861	1.4
89.03914	3.7
91.05461	13.7
93.07031	32.8
93.07610	1.2
95.04956	13.6
95.08596	100.0
97.06530	8.0
97.10160	12.1
99.08041	1.7
105.07021	21.5
107.04891	1.7
107.08585	39.6
109.02885	2.1
109.06513	7.1
109.10147	48.4
111.04444	4.1
111.08050	7.9
111.11697	9.0
117.03362	3.8
117.06938	1.4
119.04942	6.9
119.08570	15.7
121.02831	6.8
121.10122	27.4
123.04416	44.1
123.08029	5.0
123.11691	29.6
125.09589	3.3
125.13209	2.8
129.07013	1.6
133.10124	13.0
135.04396	9.4
135.11676	19.7
137.13252	14.3
139.03886	65.0
139.11116	3.1
140.04181	1.9
143.04944	2.5
145.02849	5.4
145.10143	1.6
147.04391	22.3
147.11697	11.2
149.13248	18.4
151.03908	6.4
151.14745	4.8
153.05426	2.2
153.12723	4.7
161.05948	4.2
161.13245	8.9
163.03879	30.0
163.14795	11.7
165.05467	9.9
165.12772	3.4
167.14308	2.4
171.11751	1.9
175.14799	3.9
177.16389	4.7
179.07033	2.7
189.16350	4.1
191.17944	4.1
193.19504	4.1
203.17906	3.3
207.06519	5.8
209.19093	2.0
217.19521	4.6
223.20547	2.1
235.20644	2.2
264.78085	1.3
273.18716	1.7
273.25739	14.4
291.08698	5.8
291.15802	3.6
291.19455	3.3
291.23218	3.7
291.26773	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96230	3.2
69.35110	23.3
69.35526	8.9
80.53268	3.5
98.20779	6.2
101.00871	4.1
101.67965	3.8
113.59454	3.2
119.01918	5.9
143.01877	10.9
155.01833	4.3
161.02946	23.5
161.29240	3.4
170.28239	3.7
173.02930	10.5
203.03998	8.6
239.06166	3.5
293.06332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.01864	0.5
55.05500	2.3
57.07057	1.1
61.58267	0.2
65.03920	1.1
67.05495	4.3
69.03419	9.2
69.07063	2.7
71.01344	1.3
71.04984	1.5
71.52139	0.3
71.52549	0.5
75.36248	0.2
79.05480	2.2
81.03402	1.0
81.07047	5.7
81.34602	0.3
83.04495	0.4
83.04969	5.6
83.08598	1.0
85.02888	1.4
85.06545	0.3
85.10152	0.5
91.05468	12.5
93.07025	3.0
95.04943	1.2
95.08597	6.2
97.06525	0.9
97.10146	0.9
99.08077	0.4
105.07029	1.9
105.76922	0.3
107.04893	0.4
107.08585	1.9
109.02842	0.4
109.06501	0.3
109.10132	2.7
111.04427	5.5
111.08054	0.5
113.05995	1.0
113.09637	0.5
117.06995	0.5
119.04923	27.7
119.08554	1.5
119.60377	0.3
121.06483	0.3
121.10133	2.1
123.04419	0.5
123.08055	0.4
123.11689	0.9
125.09618	0.5
129.05464	1.1
131.04907	0.8
131.08560	0.7
133.10138	1.1
135.11703	0.9
137.13225	1.1
141.06889	0.3
145.10129	0.9
147.04385	100.0
148.04729	1.1
149.09589	0.3
149.13255	0.5
151.11188	0.4
159.11685	0.6
161.13293	0.6
163.14798	0.4
165.05490	0.6
169.10085	0.4
173.09557	0.3
173.13177	0.4
175.14790	0.9
177.16414	0.8
178.31586	0.2
181.12157	0.3
187.11075	0.4
191.10760	0.3
215.17824	0.5
229.19487	0.4
233.07800	0.3
247.20573	0.3
257.18933	0.8
261.09155	0.4
275.20053	2.1
292.27383	0.4
293.10068	1.8
293.21298	1.3
293.24606	0.6
293.28113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
51.13882	0.3
53.03939	1.0
55.01863	0.5
55.05507	6.1
57.03425	0.4
57.07069	1.9
60.43306	0.4
65.03934	1.0
67.05500	8.9
69.03428	5.2
69.07063	7.9
69.36651	1.0
69.37066	2.3
71.04977	1.3
71.08611	0.9
79.05481	3.9
81.03410	4.9
81.07050	22.2
83.04970	2.9
83.08614	3.8
85.02898	1.2
85.06521	0.9
91.05473	11.7
93.06476	0.6
93.07037	7.9
95.04949	1.3
95.08598	18.7
97.06520	1.2
97.10158	3.3
99.04455	0.5
99.08090	0.7
101.74658	0.4
103.05465	0.9
105.07036	2.4
107.04919	1.9
107.08588	4.8
109.02876	2.1
109.06522	1.1
109.10146	11.4
110.35784	0.3
111.04433	3.2
111.08059	1.3
111.11707	1.4
113.09668	0.4
114.03511	0.4
114.76398	0.3
117.06985	0.7
119.04929	22.5
119.08556	1.7
120.05238	0.5
121.06505	0.9
121.10126	4.7
123.04404	0.4
123.08117	0.6
123.11688	5.5
125.09644	1.8
125.13275	0.4
131.04916	1.5
131.08554	1.2
133.10095	1.1
135.08031	0.4
135.11668	2.7
137.09607	0.6
137.13228	3.0
139.11165	1.4
141.04198	0.4
145.10088	0.8
147.04395	100.0
147.11684	1.0
148.04730	1.1
149.09584	1.6
149.13261	2.5
151.11145	0.8
151.14754	0.7
153.12717	0.7
159.08060	0.5
161.13258	0.7
163.07419	0.3
163.11159	0.6
163.14810	1.1
165.12798	0.4
173.09364	0.3
175.11034	0.4
175.14812	0.7
177.16379	1.0
181.08629	0.6
189.05501	0.5
191.14270	0.5
201.05469	1.2
203.06963	0.5
217.05077	0.5
233.15497	0.8
237.18561	0.4
257.19281	0.3
264.47128	0.4
275.09143	2.5
275.20038	1.3
275.23761	0.7
275.27368	0.5
280.92303	0.4
293.07773	0.7
293.10718	1.0
293.13947	1.2
293.17090	0.5
293.21121	1.1
293.24716	2.0
293.28339	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	293.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.8
57.07056	0.5
59.04988	0.4
65.03931	0.7
67.05481	1.5
69.03421	4.8
69.07043	1.3
69.94206	0.4
70.72937	1.6
71.01331	0.8
71.04981	0.7
73.85170	0.4
79.05466	0.6
81.03392	1.0
81.07041	2.9
83.04969	4.0
85.02891	0.8
89.90154	0.4
91.05469	9.9
91.06024	0.9
93.07025	1.6
95.04974	0.5
95.08613	2.3
95.09124	0.4
97.06541	0.6
97.10153	1.1
98.20711	0.4
105.07004	0.9
107.04936	1.1
107.08566	1.5
109.10146	1.8
111.04430	3.3
119.04929	22.4
119.08594	0.7
121.10129	1.1
123.11643	1.0
129.05426	0.9
131.08621	0.6
134.66386	0.4
135.11688	0.8
137.09544	0.5
137.13225	0.5
139.11145	0.5
147.04387	100.0
148.04735	1.3
151.11116	0.5
165.05492	0.6
177.16429	0.5
184.17062	0.7
201.05472	1.2
275.09100	1.4
292.27469	0.5
293.10446	0.9
293.14383	0.4
293.24710	0.5
293.27780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.153
Annotation	Elisabatin B
Peak:m/z	Relative Intensity
54.95587	0.5
55.05517	0.6
57.07058	0.8
67.05484	0.8
69.07061	0.7
71.08631	0.5
71.52228	1.0
75.04460	0.5
79.05471	1.5
81.07032	1.4
81.40083	0.6
91.05462	0.8
91.97437	0.5
93.07017	0.6
95.08586	1.5
98.60849	0.5
104.27009	0.6
105.07005	1.0
107.08568	0.7
109.10134	0.6
117.06991	0.6
142.07793	0.7
151.07520	0.9
155.08521	0.8
167.05180	0.5
167.08528	0.6
170.10991	0.6
179.08536	1.1
189.07016	0.8
191.08572	1.1
192.09300	1.4
193.10158	0.6
194.07350	0.7
195.08070	1.3
202.07771	1.7
203.08577	7.1
204.09308	2.3
205.10153	1.5
207.07997	1.0
207.11678	2.9
208.08896	0.6
209.09680	0.7
215.08492	2.6
216.09294	2.9
217.10133	3.6
218.10799	2.5
219.08026	1.0
219.11633	6.4
220.08783	6.3
221.09612	1.2
223.07452	0.8
229.10075	1.4
230.10892	1.3
231.08064	8.8
231.11673	2.8
232.08804	10.5
233.09499	2.5
233.13258	1.1
234.10332	1.7
235.07593	0.9
235.11160	13.4
236.11623	0.7
237.08974	1.1
238.09880	2.3
245.09583	2.0
246.10358	10.3
247.11172	43.2
248.08359	7.4
248.11610	3.0
249.09013	1.9
249.12740	1.4
250.09869	0.7
251.10707	2.2
252.11388	2.6
258.46371	0.6
260.11884	0.8
261.12750	11.7
262.13516	40.1
263.10669	35.3
263.13885	2.2
264.11215	2.2
265.12161	1.0
277.12180	2.6
278.13004	51.0
279.13409	1.5
293.15335	100.0
294.15710	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03932	8.1
55.01868	15.7
55.05499	33.9
57.03428	4.3
57.07059	11.7
65.03919	3.9
67.05495	69.8
69.03406	5.0
69.07063	36.3
70.07392	2.4
71.04987	13.2
71.08611	3.4
71.25964	5.3
79.05485	52.5
81.03400	11.4
81.07047	89.1
83.04967	9.2
83.08608	14.8
85.06538	3.9
85.10158	3.1
91.05470	36.7
93.07027	48.2
95.04968	19.1
95.08600	77.8
97.06515	18.1
97.10147	13.5
105.07024	35.9
107.04956	8.1
107.08577	53.2
109.02844	3.2
109.06504	8.8
109.10148	34.8
111.04428	9.4
111.08047	4.3
111.11678	3.0
113.06010	9.7
113.09679	4.8
117.07024	13.3
119.04944	8.0
119.08569	22.0
121.06487	8.1
121.10124	27.7
123.04416	5.6
123.08070	10.5
123.11677	16.7
125.06022	2.9
125.09629	9.2
129.07008	3.7
131.04887	4.7
131.08554	17.6
133.06497	4.5
133.10132	19.1
135.08032	7.1
135.11661	14.9
137.09608	5.5
137.13248	14.7
139.11116	3.0
143.08566	4.1
145.10088	18.7
147.04395	30.3
147.11659	15.4
149.09554	15.3
149.13251	8.6
151.07520	9.5
151.11145	7.8
151.14793	3.6
153.09096	2.7
157.10130	4.0
159.06509	2.8
159.11636	11.2
161.13306	7.0
163.11194	5.8
163.14832	3.6
165.09113	7.8
169.08623	7.1
169.10071	3.9
171.11688	3.7
173.09633	3.4
173.13313	9.4
175.14813	9.2
177.12718	2.5
177.16374	8.6
179.14255	4.0
181.12239	3.0
183.11639	3.7
187.11218	3.5
187.14876	2.7
189.11215	5.5
191.10683	2.7
191.14262	3.7
201.16388	2.6
205.12038	3.3
213.16475	3.4
215.17941	7.6
219.13777	2.6
222.06850	2.4
229.19577	7.2
239.17949	7.6
247.20581	6.9
257.19000	14.8
275.20023	100.0
276.20221	3.5
293.10794	4.4
293.21091	25.0
293.24774	5.5
293.28207	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	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03929	5.2
55.01860	7.3
55.05507	82.5
57.03416	9.9
57.07067	5.9
59.04994	3.6
67.05500	34.2
69.03428	9.8
69.07058	25.1
70.07201	7.7
70.07617	9.6
71.04990	3.7
74.03365	3.0
75.63602	3.6
79.05491	38.4
81.03404	3.8
81.07049	38.0
83.04962	11.4
83.08609	65.9
85.06530	5.3
90.69968	3.0
91.05473	20.6
93.07036	30.8
95.04942	7.1
95.08072	3.7
95.08607	22.4
97.10161	100.0
98.21488	4.6
103.44335	3.6
105.06989	17.1
107.04916	3.4
107.08593	43.4
109.06533	4.7
109.10131	15.7
111.08044	5.3
117.07002	11.6
119.04967	3.8
119.08562	10.6
121.10130	12.5
123.08070	5.5
125.09616	86.8
129.06915	4.1
131.08533	16.6
133.10103	10.1
135.08020	10.6
135.11691	10.6
137.09590	4.5
139.03816	5.4
143.10640	4.8
145.10121	5.6
147.04361	7.3
147.11690	4.0
149.09621	10.6
151.11174	3.5
153.09105	4.2
159.11595	4.1
161.28102	3.2
163.11143	6.4
181.04990	3.8
181.93628	3.9
189.11194	75.6
195.88040	3.4
237.11110	4.9
255.78181	3.6
257.19083	5.2
275.20062	31.2
293.10413	5.2
293.15240	5.7
293.21060	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03942	3.5
55.01865	17.4
55.05501	24.2
57.07072	6.7
60.03692	2.5
61.59444	2.2
61.83991	2.3
62.93996	2.2
67.05501	62.2
69.07063	31.9
69.41897	19.8
71.04993	16.9
72.54504	2.2
72.95981	2.8
79.05058	4.5
79.05489	65.3
81.03425	5.4
81.07051	100.0
83.04990	13.4
83.08600	12.4
85.02916	3.7
85.06525	2.5
91.05473	42.1
91.06003	3.1
91.16591	2.5
93.07035	74.8
95.04975	15.5
95.08598	89.9
97.06538	14.7
97.10134	8.3
101.02359	6.1
105.07033	35.3
107.04947	8.9
107.08586	36.1
109.06528	6.0
109.10155	22.4
111.04427	20.1
111.08088	4.4
111.11714	3.7
113.05997	11.6
113.09650	3.2
117.07009	14.0
119.08572	40.8
121.06503	8.3
121.10133	43.4
123.08089	7.7
123.11703	8.3
125.05988	7.8
125.09607	3.7
129.05440	2.7
129.06993	7.3
131.08566	27.1
133.06499	4.3
133.10112	38.7
135.08035	7.4
135.11659	25.5
137.09648	3.8
137.13246	16.6
139.07475	5.3
139.11169	11.4
141.06973	4.0
143.07025	7.4
145.10123	21.6
147.04396	3.4
147.11626	12.8
149.09641	4.7
149.13228	4.9
151.07558	13.9
151.11211	3.8
153.09117	2.9
155.08498	5.0
157.10107	6.6
159.08115	2.9
159.11649	16.6
161.09616	3.9
161.13252	23.6
163.11223	3.5
165.09129	3.7
169.08580	15.3
169.09981	5.7
171.11717	4.9
173.09641	7.4
173.13268	13.6
175.11214	4.4
175.14799	41.4
177.16391	20.6
179.10716	3.9
179.14319	4.8
183.11681	4.2
184.77434	2.6
185.13187	3.4
187.11215	3.2
187.14795	4.1
191.10649	5.3
193.12213	7.0
201.12743	2.7
213.16379	4.5
215.17966	27.0
216.64922	3.1
228.07748	2.7
229.15907	5.2
229.19556	8.1
239.17917	10.4
247.20596	3.6
254.30994	2.6
257.18915	19.7
273.80841	2.6
275.20044	94.5
276.20370	3.6
283.17654	2.6
293.21097	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03937	6.2
55.01674	2.1
55.01869	24.7
55.05505	27.2
56.96539	2.4
57.03424	4.4
57.07072	5.1
67.05500	41.2
69.03423	4.6
69.07058	32.7
69.20543	8.3
69.20963	16.2
71.04987	4.4
74.57672	2.4
79.05485	56.2
81.03399	13.3
81.07050	42.7
83.04967	7.0
83.08598	12.7
85.06544	4.8
91.05475	37.7
93.07036	38.1
95.04952	19.7
95.08600	25.9
97.06513	27.7
97.10162	14.1
99.08049	2.8
105.07023	36.3
105.66283	2.2
107.04955	16.6
107.08575	72.0
109.06507	13.3
109.10144	13.5
117.06979	11.6
119.04936	5.0
119.08550	21.6
121.06506	5.5
121.10121	17.0
123.08093	5.8
123.11679	5.1
125.09630	13.3
129.06964	3.8
131.08557	13.9
133.06491	2.7
133.10126	17.8
135.08034	7.9
135.11682	10.1
136.53825	2.5
137.09604	4.4
143.08571	3.3
145.10143	13.6
145.80922	2.2
147.04390	16.7
147.11710	11.8
147.50623	2.1
149.09615	24.4
149.13257	2.8
151.11136	6.7
155.08545	2.8
157.10172	3.4
159.08165	2.5
159.11696	15.1
161.08350	3.0
161.09570	2.8
161.13275	4.3
163.11176	8.8
165.09126	10.7
169.10138	5.0
171.11665	4.1
173.13217	9.8
175.14839	3.1
177.05420	3.5
177.12700	6.2
178.06204	5.1
182.99615	2.3
187.11212	5.2
187.14848	2.4
189.11203	8.5
189.12764	3.3
191.07033	2.9
193.08554	3.0
213.17050	2.5
219.17426	5.4
221.15349	3.5
229.19565	5.0
233.11586	6.0
237.14861	4.1
239.17915	5.3
247.20625	6.5
257.18970	15.2
275.20050	100.0
293.11569	3.4
293.21002	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	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03935	5.6
55.01852	8.0
55.05505	64.2
57.03414	4.4
67.05495	44.3
69.03415	8.1
69.07072	15.3
71.05010	4.2
71.13724	4.9
71.14056	5.5
73.55322	2.8
79.05487	93.1
81.03439	3.3
81.07053	29.3
83.04958	11.9
83.08621	19.7
91.05472	24.3
91.28304	2.9
93.07037	42.8
95.04933	6.9
95.08591	12.2
97.06523	4.0
97.10167	28.8
105.07026	31.5
107.04948	43.4
107.08587	70.5
109.10152	18.4
111.08038	3.7
117.06996	10.5
119.08572	22.9
121.06554	4.0
121.10150	20.0
123.08034	3.4
123.11683	12.9
125.09600	37.6
131.08527	10.2
133.10110	23.3
135.08015	10.1
135.49434	3.3
137.09569	3.3
143.08517	3.9
145.10077	8.9
147.11671	13.0
149.09607	90.4
155.08586	3.4
159.11649	6.4
161.13226	5.3
163.49219	3.3
167.10635	3.6
169.12247	4.7
171.10170	3.6
173.13271	6.1
189.11194	28.5
197.13145	4.7
229.19461	9.7
237.11301	3.5
239.17969	4.3
257.18875	22.6
275.20041	100.0
276.20392	5.9
293.20993	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	4.4
55.01859	11.2
55.05505	35.7
57.03413	3.4
57.07066	3.5
65.03925	3.7
66.60098	1.9
67.05495	32.8
69.03419	4.6
69.07066	19.5
70.25781	5.0
70.26168	6.8
71.04991	3.5
79.05487	56.2
81.03404	7.1
81.07047	32.3
83.04975	9.1
83.08626	14.5
85.06509	3.4
85.10181	2.6
85.27814	2.1
91.05466	40.3
93.07027	32.7
95.04955	10.8
95.08594	23.9
97.06516	14.2
97.10160	14.8
103.05450	2.6
105.07024	40.3
107.04937	12.4
107.08584	100.0
109.06501	7.3
109.10133	11.5
109.53340	1.9
111.08086	4.2
117.07008	7.8
119.08556	18.3
121.06471	5.7
121.10136	10.3
123.08039	4.7
123.11717	6.4
125.09624	21.4
127.98465	2.4
128.02515	2.3
128.06181	2.5
131.04886	3.8
131.08530	10.2
133.10091	15.5
135.08041	3.7
135.11670	5.5
137.09586	3.7
145.06396	2.3
145.10141	17.1
147.04436	16.2
147.11667	11.7
149.09601	20.4
149.13165	4.4
151.07571	3.3
151.11136	8.5
153.09056	3.4
157.10130	5.0
159.11658	7.2
161.09651	2.6
161.13225	7.0
163.11197	5.6
165.09120	5.2
171.11673	2.5
173.13235	6.0
175.11203	2.5
177.12799	2.8
187.11121	4.1
187.14771	2.5
189.11217	17.3
199.71458	2.2
207.17409	2.7
239.17789	5.3
244.98534	2.5
247.20616	2.7
257.19110	11.7
275.20047	88.9
276.20370	3.0
293.11032	2.8
293.20963	25.6
293.27814	7.1
311.81607	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03933	5.2
55.01858	9.8
55.05508	21.5
56.67159	3.2
56.96580	5.2
57.07058	12.7
65.03941	4.5
67.05500	59.0
69.03429	5.5
69.07052	22.4
70.08073	15.0
71.04990	12.0
71.08633	16.9
77.38829	2.8
79.05485	54.6
81.03407	11.4
81.07048	72.2
83.04987	8.2
83.08610	13.6
85.10175	3.5
88.69257	3.0
91.05474	36.8
93.07040	44.8
94.04158	3.6
95.04951	34.7
95.08596	62.7
97.06522	11.9
97.10163	5.1
98.97542	3.4
99.08077	16.6
101.02380	2.8
105.07014	27.0
107.04945	9.6
107.08592	34.1
109.06512	16.7
109.10152	18.3
111.04426	9.7
111.08067	5.3
113.06000	9.4
113.09605	3.7
113.47644	2.9
116.98606	3.5
117.07021	15.9
119.08551	24.3
121.06487	7.7
121.10139	22.0
122.03626	8.8
123.04379	5.4
123.08041	8.3
123.11681	9.5
125.06019	4.3
125.09628	4.7
129.07005	6.5
131.04909	4.9
131.08542	17.6
133.06485	3.1
133.10115	20.5
134.99684	5.7
135.08044	9.1
135.11684	10.2
137.05960	100.0
137.09564	7.5
137.13268	6.3
139.11183	3.2
145.10063	14.9
147.04405	10.8
147.11627	8.0
149.09598	9.3
151.07552	8.8
151.11165	15.8
153.07391	3.4
155.08545	5.4
155.10678	7.5
159.08058	4.3
159.11682	11.1
161.09572	4.6
161.13240	5.5
163.11165	8.4
163.14839	4.6
165.09126	4.8
165.12735	5.6
169.08615	5.1
169.10089	7.1
173.09625	5.2
173.13260	7.4
175.14810	5.5
177.09067	7.5
177.16341	5.7
181.04955	6.7
181.08591	6.3
187.11151	3.5
187.14713	3.8
191.10596	5.0
209.11673	9.3
215.17946	7.4
223.13382	4.5
229.19460	5.7
233.09866	4.0
237.11172	21.4
239.17899	4.0
247.11194	7.6
247.20552	5.2
257.18991	13.0
262.13498	8.2
263.10629	9.2
275.20026	59.4
276.20114	3.7
278.02386	5.1
278.12958	9.0
293.11926	6.0
293.15237	15.5
293.20966	49.3
293.23917	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.45185	1.6
52.22564	1.8
53.03931	3.7
55.01855	9.2
55.05511	16.6
57.07053	7.6
65.03952	2.1
67.05502	43.2
69.07064	21.9
69.40498	17.8
71.04974	7.5
71.08617	3.9
79.05488	40.3
81.03416	3.3
81.06589	3.4
81.07050	60.5
83.04974	6.5
83.08591	6.5
85.15868	2.0
91.05472	32.3
91.88014	2.0
93.01086	2.1
93.07042	42.9
95.04980	15.0
95.08601	49.8
97.06529	12.9
97.10161	5.7
101.02390	4.8
105.07011	29.7
107.04942	7.6
107.08593	22.9
109.06504	6.0
109.10159	14.4
110.59977	2.1
111.04433	13.3
111.08051	4.4
111.11700	2.4
113.05997	7.1
117.06303	2.0
117.07021	7.2
119.04933	2.2
119.08569	18.7
120.60166	1.9
121.06482	7.2
121.10125	18.6
123.04411	2.3
123.08056	7.0
123.11671	5.4
125.06004	6.6
125.09631	3.3
128.57448	2.2
129.05479	2.9
129.06981	4.0
131.08540	14.0
133.10127	18.4
135.08047	6.6
135.11670	16.7
137.09645	2.5
137.13231	9.2
139.03796	2.4
139.07535	2.2
139.11176	4.0
141.06969	2.8
143.07002	5.5
143.08534	4.0
145.10100	14.3
147.11691	7.6
149.09619	3.4
151.07500	7.8
151.11142	5.7
155.08527	2.3
155.97334	1.9
157.10135	2.8
159.11684	8.9
161.09578	4.2
161.13243	13.4
163.11237	2.6
165.12776	2.5
169.08582	7.7
169.10020	3.8
171.11775	3.2
173.09541	2.5
173.13228	6.2
175.11296	2.4
175.14851	20.6
175.16322	2.8
177.16367	11.3
179.10619	2.9
183.11795	2.4
187.11116	4.4
187.14766	2.9
189.09279	2.0
191.10681	3.0
193.12210	3.3
201.12683	3.2
209.11737	3.2
213.16389	3.0
215.17944	22.0
229.15916	3.4
229.19511	4.5
239.17873	8.6
247.20477	3.4
257.19031	15.9
271.27551	1.9
271.69949	2.0
275.20053	59.0
293.10364	2.4
293.21085	100.0
294.21426	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	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03943	1.5
55.01861	3.5
55.05505	12.9
56.37375	1.2
57.07066	3.1
66.26099	1.1
67.05498	27.6
68.61809	1.1
69.03407	1.5
69.07060	23.0
69.88803	6.1
71.04990	3.3
79.05483	22.4
81.03416	1.5
81.07050	31.7
83.04958	6.6
83.08611	5.9
85.06533	2.0
91.04960	2.1
91.05473	20.2
93.07040	22.9
95.04957	9.3
95.08603	19.7
97.06535	4.8
97.10155	3.0
97.34983	1.0
99.08089	1.4
105.07024	21.9
107.04930	6.1
107.08591	15.9
109.06485	10.5
109.10155	10.7
111.08082	1.8
117.07010	7.0
119.08566	14.8
121.06490	11.8
121.10123	7.6
123.08086	3.4
123.11702	2.0
125.30667	1.1
129.06999	2.3
131.08571	14.6
133.06468	2.7
133.10123	18.0
135.08055	4.6
135.11682	4.8
137.09608	3.8
143.08618	2.0
145.06500	2.0
145.10114	12.0
147.08014	2.7
147.11682	10.8
149.09595	4.3
149.13255	2.1
151.11165	8.4
157.10167	2.3
159.07986	1.2
159.11690	6.7
161.09605	4.7
161.13217	2.8
163.11163	4.8
171.11638	2.3
173.09578	2.0
173.13284	5.6
175.11198	3.1
177.12700	1.5
183.11665	1.8
187.11206	1.7
187.14824	1.1
189.12717	1.7
191.14304	3.1
197.13280	1.5
201.12743	3.2
207.13823	3.3
215.14243	1.5
215.17897	2.0
217.15807	1.2
219.13754	5.5
229.19540	3.1
233.15228	1.4
237.14966	1.4
239.17943	4.2
247.11208	1.4
247.20531	2.4
257.18997	15.1
275.20038	100.0
276.20535	2.4
278.13373	1.2
293.15579	1.9
293.21088	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	293.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56599	0.7
53.03939	1.3
55.01858	1.0
55.05502	17.2
57.03420	1.1
57.07067	4.6
64.70107	0.6
65.03933	1.0
67.05498	27.8
69.03415	2.1
69.07058	18.1
69.26594	0.7
70.65910	1.9
70.66241	0.7
71.04970	1.9
71.08627	1.9
77.56431	0.7
79.05479	13.5
81.03393	4.6
81.07044	100.0
82.07360	1.1
83.04975	1.0
83.08607	8.5
85.06525	2.7
89.48586	0.7
91.05470	6.9
93.07029	20.0
95.04952	2.1
95.08594	70.6
96.08919	0.9
97.06537	3.9
97.10147	9.2
99.04494	1.1
99.08069	1.7
105.07020	7.2
107.04952	0.9
107.08580	17.1
109.02850	2.1
109.06490	1.7
109.10141	39.2
110.10503	0.8
111.04497	1.0
111.08073	4.2
111.11717	3.9
113.05943	1.0
113.09682	1.3
119.04927	3.9
119.08551	4.9
121.10126	12.2
123.11700	16.6
125.09605	6.5
129.07028	0.9
131.04906	2.9
131.08553	0.9
133.10120	4.2
135.08012	0.8
135.11679	9.5
137.09602	1.4
137.13228	9.7
139.11166	2.5
145.10112	1.2
147.04388	15.0
147.11664	3.5
148.14394	0.7
149.09613	1.9
149.13234	6.8
151.07529	0.9
151.11142	3.5
151.14818	3.2
159.11703	1.9
161.13289	2.5
163.11205	0.9
163.14851	2.3
165.12759	3.1
173.13339	1.2
175.14828	1.9
177.12631	1.0
177.16325	5.5
179.14294	1.6
201.16289	0.9
205.13405	0.9
223.16927	1.6
233.12799	1.0
237.18484	1.3
257.22665	2.4
275.20251	0.9
275.23703	4.3
275.27628	0.7
293.11111	0.9
293.14224	1.6
293.21152	2.2
293.24780	11.0
293.28424	3.6
294.08875	0.9
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	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03936	1.2
53.15295	1.0
55.05498	9.0
57.07067	2.2
57.72594	0.9
65.03917	3.6
66.04715	1.1
67.05496	97.3
69.07066	9.9
69.08723	0.9
70.46278	3.2
79.05491	13.0
81.07047	100.0
83.04967	1.4
83.08604	5.2
85.06528	2.1
91.05459	6.3
93.07036	15.6
95.04943	1.7
95.08597	84.7
97.06490	3.0
97.10136	3.1
99.08054	1.2
105.07040	4.4
107.08586	10.5
109.06513	1.7
109.10144	36.0
111.08120	1.3
117.06988	2.1
119.08569	5.9
121.10137	10.8
123.08027	1.6
123.11697	17.3
123.56782	0.8
125.09592	1.2
131.08530	6.6
133.10085	3.1
135.08044	1.4
135.11682	7.8
137.09569	2.6
137.13205	11.0
138.25493	0.9
139.11162	0.9
145.10069	4.5
147.11632	2.9
149.09581	3.2
149.13228	5.8
151.11237	1.4
151.14778	4.3
159.11702	4.8
161.13205	2.8
163.11137	2.7
163.14793	3.8
165.16338	1.3
173.13260	6.8
177.12823	4.4
177.16309	1.9
187.14775	4.1
191.14294	1.5
195.13695	1.2
205.15855	1.5
219.20996	1.7
233.22441	1.1
237.18373	1.0
243.21053	6.7
261.22040	7.1
275.20026	1.1
293.21497	1.3
293.24728	14.4
309.99216	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2472
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03944	1.8
55.01862	1.8
55.05505	14.0
57.03412	0.8
57.07074	4.8
65.03928	1.0
66.01850	0.6
67.05497	27.2
67.79312	0.7
69.03416	2.7
69.07063	17.9
71.04993	1.7
71.08636	1.7
71.14281	1.4
79.05483	12.4
81.03406	4.9
81.07049	100.0
82.07369	1.0
83.04974	2.0
83.08611	7.4
85.06510	3.7
85.10190	0.8
91.05461	6.7
93.07039	18.4
94.45088	0.6
95.04958	2.4
95.08598	70.0
95.49120	0.6
97.06509	4.1
97.10165	9.5
99.08076	2.0
102.26139	0.6
105.07024	5.0
107.08578	17.4
109.02872	2.0
109.06503	1.8
109.10146	43.0
111.08054	3.6
111.11711	3.0
117.06981	1.3
119.04926	4.8
119.08563	5.4
121.06493	0.8
121.10132	12.2
123.08099	0.9
123.11694	17.0
125.09602	7.6
131.04916	3.6
131.08549	2.1
133.10133	2.5
135.08028	1.0
135.11673	10.0
137.09645	1.5
137.13237	9.1
139.11195	2.1
145.10167	1.6
147.04393	20.9
147.05510	1.1
147.11633	3.3
147.70193	0.6
148.04709	1.3
149.09639	1.6
149.13248	7.7
151.11121	3.0
151.14832	2.1
153.12753	1.5
159.11714	2.0
161.13264	2.4
163.11185	2.1
163.14787	3.2
165.12753	2.3
165.16306	0.8
173.13266	1.0
175.14850	2.2
177.16350	4.9
179.14345	1.3
181.08640	0.8
183.13559	0.6
187.14847	1.4
193.15990	1.0
195.17513	0.8
201.16403	1.1
205.06415	0.7
205.13379	0.7
209.15427	0.9
223.16972	0.8
233.12926	1.4
237.18430	0.8
250.06206	0.7
257.22702	2.8
275.20200	2.1
275.23779	3.3
293.07840	1.3
293.14160	1.0
293.21448	1.4
293.24765	10.3
293.28320	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	293.2471
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03951	2.1
54.87323	0.7
55.05503	10.0
56.20968	0.8
57.07077	2.7
59.05002	0.7
65.03941	3.1
65.61542	0.7
67.05499	94.6
67.20469	0.7
68.53533	0.6
69.07055	10.0
70.68941	2.1
71.04979	1.1
74.98368	0.8
79.05486	11.6
81.07047	100.0
83.04982	0.9
83.08607	5.6
83.65181	0.8
85.06529	2.3
91.05460	4.6
93.06470	1.3
93.07036	12.2
95.04985	1.1
95.08596	74.2
96.08923	0.8
97.06521	2.0
97.10155	4.0
99.08061	1.2
105.07018	4.1
107.08578	6.4
109.06505	1.3
109.10144	41.0
111.08083	1.0
114.91737	0.7
115.07520	1.2
117.07003	1.3
119.08591	4.8
121.06488	0.8
121.10133	9.3
123.08034	1.5
123.11694	28.3
125.80835	0.7
129.09070	0.8
131.08557	3.8
133.10083	2.5
135.08003	0.9
135.11682	6.0
137.09579	2.0
137.13242	12.7
145.10097	4.1
147.11636	3.1
149.09586	1.7
149.13243	4.3
151.11105	2.2
151.14757	3.2
153.12778	1.1
155.10605	0.9
159.11653	3.2
161.13184	2.1
163.11150	2.0
163.14777	2.8
165.12744	0.8
165.16217	1.0
173.13199	4.7
177.12717	2.1
177.16367	2.1
179.14227	1.2
187.14822	3.3
191.14290	1.8
195.13773	0.9
205.15807	1.3
219.20998	1.0
223.16734	1.6
237.11043	1.0
237.18343	2.3
243.21066	4.6
261.22134	6.4
265.66620	0.7
293.24713	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	293.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01865	2.3
55.05507	23.8
57.07069	15.1
60.47015	1.4
63.29011	1.4
65.03941	1.3
67.05504	33.8
69.03418	2.1
69.07066	50.8
70.56458	4.7
70.60898	1.2
70.66917	1.2
71.04990	2.8
71.08623	7.3
76.36698	1.2
79.05497	11.3
81.03419	2.2
81.07053	91.1
83.08617	31.6
83.09113	1.4
85.06540	10.7
85.10149	1.7
91.05475	6.4
93.07040	25.6
95.04964	1.4
95.08603	100.0
97.06532	4.1
97.10172	13.2
99.08083	8.7
103.05463	2.6
105.07016	3.6
107.08594	30.8
109.10149	50.2
111.08087	7.9
111.11707	8.8
113.09650	1.8
119.08582	2.2
121.10136	14.4
123.11697	39.3
124.11971	1.6
125.09595	3.6
125.13255	2.2
131.04900	6.4
135.11670	9.2
137.13251	44.6
139.11195	2.6
145.10101	1.8
147.04362	4.0
149.13248	21.3
151.14842	6.5
153.12779	2.7
163.14816	6.9
165.16376	3.2
167.14349	5.7
177.16339	2.5
179.17937	3.4
193.19540	1.8
209.19156	1.4
219.21094	1.7
244.03215	1.3
249.25699	2.6
275.20029	2.5
275.27307	4.0
293.21109	2.8
293.25021	2.5
293.28369	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2837
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03931	1.9
55.05508	23.6
55.72057	1.2
57.07076	11.3
67.05501	31.4
68.87184	1.2
69.07066	41.7
71.04254	2.9
71.05002	1.3
71.08616	4.3
72.54838	1.3
79.05492	10.2
81.07055	81.2
83.08611	23.2
85.06548	10.5
85.10169	1.3
91.05467	2.6
93.07037	13.1
95.08605	100.0
97.10162	10.4
97.10668	1.3
99.08083	11.0
107.08615	10.0
109.10157	52.9
111.08067	3.0
111.11723	8.5
113.09592	2.1
121.10155	7.5
123.11704	31.1
125.09624	1.8
125.13303	3.8
135.11717	6.5
137.13257	31.6
139.11209	1.7
139.14815	1.5
147.04408	2.8
147.11766	1.6
149.02342	4.5
149.13237	7.7
151.14806	6.0
163.14803	3.0
165.16402	3.1
167.14362	1.3
172.78893	1.2
177.16333	1.4
179.17934	1.3
190.02884	1.2
191.17961	1.5
193.19499	2.0
218.26131	1.3
237.22162	1.7
275.27368	2.5
293.25018	1.9
293.28384	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
53.94815	0.5
55.05505	19.7
57.03433	0.9
57.07070	8.2
65.03941	1.0
67.05498	28.1
67.57489	0.5
68.05851	0.6
69.03417	1.4
69.07059	31.4
69.35995	0.5
69.41390	4.5
71.04996	0.8
71.08628	3.2
79.05482	10.9
81.03407	0.9
81.07047	100.0
82.07388	1.4
82.71140	0.5
83.04940	0.8
83.08611	15.3
85.06535	8.3
85.10174	1.5
91.05479	3.4
93.06475	0.9
93.07032	12.3
95.04942	0.8
95.08595	72.5
96.08913	0.7
97.06499	1.2
97.10160	10.1
99.08083	6.7
103.05418	0.8
105.07008	1.8
107.08582	10.9
109.02822	1.0
109.10143	40.3
110.10533	0.9
111.08089	1.1
111.11709	6.7
113.09615	2.8
119.04914	2.2
119.08546	1.7
121.10133	8.6
123.11697	22.9
125.09580	2.1
125.13263	2.1
131.04941	1.7
133.10115	1.0
135.11688	5.0
137.13226	9.4
139.11150	1.2
147.04395	10.7
149.09601	0.9
149.13239	9.5
151.14801	6.9
161.13235	0.6
163.11261	0.6
163.14781	4.5
165.16414	4.2
176.30263	0.6
176.47849	0.6
177.16304	2.0
179.17932	1.9
191.17929	1.2
193.19525	1.3
205.19423	1.1
206.70659	0.5
209.19080	0.6
219.21005	1.3
223.20638	1.0
261.55408	0.6
275.20053	1.3
275.27307	2.7
293.17404	0.9
293.21295	0.9
293.24588	1.8
293.28293	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01844	1.3
55.05502	2.1
57.03416	2.2
57.07059	5.0
65.03939	1.6
67.05502	14.1
69.03435	4.3
69.07062	1.6
69.57220	1.5
69.57626	4.6
70.06593	4.4
71.04976	0.9
79.05489	11.1
79.53308	0.8
80.04993	3.3
81.03415	21.9
81.06590	1.4
81.07052	24.3
81.89808	0.9
82.02930	5.4
82.06573	4.8
83.04980	1.5
84.04482	1.1
84.08131	5.2
85.02879	1.3
85.06539	23.9
91.05470	4.8
93.03398	1.1
93.06488	1.0
93.07036	12.1
94.06547	3.5
94.07235	0.6
95.04958	3.4
95.08584	2.4
96.03919	1.1
96.04497	19.3
97.05257	1.3
99.04445	1.5
105.06998	2.3
106.09360	0.8
107.08582	5.4
108.02084	1.1
108.04474	5.1
108.08062	0.9
109.02878	6.3
109.10136	2.4
110.06017	1.6
110.09672	4.9
111.04439	3.3
112.07592	1.5
114.09153	6.5
117.06966	0.8
119.08578	7.9
120.08073	2.0
120.41518	0.8
121.06464	1.6
121.10128	8.9
122.06025	7.9
127.03886	1.8
129.06955	0.9
131.08583	1.2
134.09566	0.8
135.07982	2.1
136.07585	0.9
136.11186	2.8
138.09128	29.0
141.05405	1.0
146.09607	1.3
147.08020	3.2
148.07574	3.0
149.09642	1.6
151.03909	35.6
151.05022	3.0
160.09641	1.9
164.10704	18.5
166.08658	5.8
168.10225	1.1
169.04921	1.0
178.12282	1.7
180.10124	1.0
191.06989	1.0
192.10182	3.6
212.09102	4.4
220.16942	8.6
230.15382	2.3
238.10727	5.6
248.16446	100.0
249.16798	1.7
266.17535	1.7
294.16992	46.5
295.08084	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	294.2057
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
57.07059	0.7
58.02948	0.3
65.03896	0.3
66.04690	0.3
67.05476	0.7
69.81686	0.6
69.82117	0.8
71.08607	0.3
79.05470	0.9
81.07048	2.1
91.05472	1.1
94.04182	2.9
102.28809	0.2
109.06486	0.5
114.81962	0.3
122.02742	0.4
122.03629	8.4
123.11694	2.1
129.42679	0.2
137.05959	100.0
138.06325	1.4
148.43672	0.2
158.15379	1.6
170.15434	1.9
276.20526	0.4
294.20700	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75864	0.2
55.01868	0.3
55.05503	0.3
57.07062	0.9
66.04717	0.4
67.05497	0.8
69.19189	3.3
69.99976	0.3
71.08614	1.2
79.05486	1.3
81.07043	1.0
90.70343	0.3
90.73487	0.3
91.05460	1.1
93.07054	0.7
94.04182	2.5
98.20698	0.6
105.07003	0.3
107.04899	0.4
108.08907	0.3
109.06524	0.9
120.29121	0.3
122.03634	7.3
122.04482	0.5
137.05963	100.0
138.06285	1.6
141.12723	2.4
158.15404	1.4
175.97195	0.3
248.24522	0.3
276.20435	0.4
294.20950	0.6
295.13284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01849	0.9
55.05488	0.8
56.96557	6.3
57.03412	0.7
57.07053	1.2
59.77868	0.6
65.03946	0.8
67.05489	1.2
69.03422	4.4
69.07053	1.0
71.52653	1.2
72.95032	0.6
73.02906	2.0
79.05472	2.0
81.03424	1.8
81.07030	1.3
82.06577	1.0
84.96022	1.2
85.02896	6.7
87.04472	1.0
91.05440	1.0
94.06557	1.2
95.04942	1.0
95.08600	1.3
96.08118	1.6
97.02885	5.5
98.06049	4.4
98.97568	10.8
99.04459	1.0
106.06533	1.4
107.04945	14.6
108.05283	0.9
108.08112	1.7
109.02882	1.6
110.06008	1.3
110.97548	1.0
112.07597	2.0
116.54978	0.8
116.98615	7.9
119.01846	1.0
121.06473	1.0
122.06042	1.7
123.04465	0.9
123.06757	0.7
124.07584	8.2
127.03873	1.6
128.07069	2.0
128.98598	2.4
130.08609	1.9
131.04878	1.1
132.95772	1.0
134.06001	74.8
134.99588	3.9
135.06314	1.3
136.07558	16.3
137.05966	0.9
140.07047	24.6
140.62370	0.8
144.06557	1.9
146.99641	2.2
147.04361	1.6
149.05951	2.0
150.07678	1.6
150.96887	0.6
151.07549	0.8
152.07050	100.0
153.07401	1.0
154.08600	0.8
158.99600	3.3
161.01285	1.1
161.04700	1.0
163.03871	0.8
164.07138	0.9
165.00700	0.8
167.07027	4.4
174.04303	0.7
177.00676	5.8
177.05499	2.9
178.04802	0.8
186.04424	1.3
187.04311	0.9
200.02303	1.1
203.06946	0.7
204.05412	1.2
209.08182	1.0
214.04955	1.3
219.01714	4.7
223.05463	1.9
229.03819	0.7
232.05988	3.1
233.12779	1.4
237.02809	4.4
237.04765	0.8
249.12369	2.4
252.05333	0.6
254.59084	0.7
277.11844	1.6
295.07455	2.3
295.12857	80.1
296.13153	2.5
303.07547	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03942	5.4
55.01862	7.5
55.05506	29.2
57.03423	2.4
57.07060	8.6
65.03930	4.1
67.05498	100.0
69.03413	3.5
69.07057	26.0
69.55544	5.8
69.55974	9.2
71.04979	7.1
71.08617	7.1
79.05491	36.0
81.03419	3.3
81.07046	90.0
83.04967	7.7
83.08606	24.1
85.02900	3.3
85.06522	3.2
85.10172	2.5
85.46823	2.2
87.04450	3.3
91.05482	24.0
93.07037	33.4
95.04962	14.5
95.08600	72.1
97.06530	9.4
97.10185	11.1
99.08099	3.4
101.06008	3.8
105.07012	17.8
107.04926	3.7
107.08582	17.6
109.06506	25.9
109.10147	30.9
111.04424	3.0
111.08082	8.1
113.05991	4.4
119.08563	16.1
121.10112	18.7
123.04374	2.9
123.08071	5.1
123.11687	12.8
125.06108	2.5
125.09576	4.3
129.07004	3.6
131.08543	7.0
133.06485	8.6
133.10124	17.6
135.08028	2.3
135.11682	8.8
137.05959	10.5
137.09579	2.9
137.13223	5.0
143.08546	3.7
145.10098	5.0
147.08011	2.5
147.11705	11.0
149.13235	10.0
151.07545	5.6
151.11206	3.3
153.93184	2.0
157.10060	3.7
157.45032	2.0
159.11711	4.1
161.13274	7.1
163.14816	2.4
165.05495	2.6
165.09062	3.9
165.12700	3.5
167.14375	2.5
169.08498	2.0
171.11617	3.1
173.13202	2.4
175.11150	5.0
175.14801	5.5
177.16574	2.3
189.11125	2.2
189.12787	2.5
193.12167	3.7
195.13823	2.2
205.06499	2.6
207.13678	3.1
209.09671	2.1
214.63191	2.1
217.19441	4.1
220.08759	3.5
221.11688	2.7
225.09135	2.9
231.21107	5.2
235.11263	4.9
237.09010	2.0
241.19507	4.8
249.08937	2.4
249.22266	3.2
259.20587	8.1
263.10788	10.9
265.08511	6.8
267.13779	2.7
277.21576	31.4
280.10944	5.6
295.09930	4.0
295.13190	21.5
295.22702	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	295.2266
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
55.01861	9.9
55.05525	21.6
55.31057	4.8
57.03435	36.3
57.07064	13.6
65.03937	6.3
66.07730	4.1
67.05502	67.0
69.07067	30.5
71.04978	6.6
71.52081	6.9
71.52478	6.6
79.05488	46.9
81.07054	100.0
83.04967	9.6
83.08606	21.5
85.06554	7.1
90.70544	4.6
91.05465	22.5
93.07039	46.9
95.04970	4.6
95.08597	80.5
97.06524	11.9
97.10177	9.0
99.08093	8.8
105.07008	26.8
105.61642	5.2
107.04910	4.4
107.08582	40.2
109.06519	6.0
109.10157	28.8
111.08083	5.7
119.08569	13.5
121.10115	41.2
123.08079	11.2
123.11723	10.1
125.09672	6.0
129.07016	4.7
131.08549	17.6
133.10132	14.0
135.11696	28.8
137.09660	7.4
145.10080	8.7
147.11667	9.4
149.13261	14.4
159.11650	10.0
161.13184	7.4
163.11147	5.2
165.12715	5.5
173.13223	6.5
175.14767	6.6
179.57283	4.6
187.14902	21.5
204.14627	4.7
205.15903	16.4
223.16928	8.0
241.19495	8.1
259.20523	11.8
277.21603	56.4
277.82727	4.8
295.13269	9.8
295.16718	5.3
295.22781	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	295.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.7
55.01868	40.3
55.05505	44.4
57.03412	4.4
57.07074	12.0
65.03906	3.5
67.05500	75.7
69.03407	10.9
69.07056	33.6
71.04977	6.3
71.08625	23.4
71.52941	2.0
79.05058	4.0
79.05486	45.2
81.03413	19.8
81.07045	78.7
83.04970	21.0
83.08614	23.0
85.02885	3.3
85.06509	6.9
85.10171	13.3
91.05470	27.4
93.06475	3.9
93.07030	48.2
95.04956	25.3
95.08597	49.4
97.06516	21.8
97.10146	13.2
99.08083	23.6
103.05442	3.2
105.07017	34.9
107.04928	4.2
107.08583	29.9
109.06510	11.0
109.10142	28.3
111.04440	5.3
111.08065	32.7
113.09628	12.8
117.07005	8.6
119.08563	20.9
121.06484	5.2
121.10131	26.6
123.08049	7.7
123.11662	9.1
125.09613	7.0
127.11240	2.2
129.06995	5.0
131.08568	6.9
133.06512	4.8
133.10118	22.1
135.08032	5.2
135.11658	17.0
137.05948	3.1
137.09593	6.8
137.13229	5.4
139.11139	7.0
145.10118	6.3
147.11649	22.1
149.02356	9.0
149.09619	8.5
149.13252	15.8
150.06706	3.0
151.07512	6.4
151.11160	24.5
153.12723	4.5
157.10191	3.7
159.11664	7.3
161.09563	2.6
161.13246	10.2
163.11191	8.7
163.14790	6.0
165.09097	19.2
165.12741	17.1
167.14288	3.2
171.11690	4.9
173.13403	2.5
175.11200	4.7
175.14793	8.5
179.14278	11.2
181.12236	3.6
185.13257	2.9
189.11166	4.7
189.12794	3.5
189.14659	2.7
189.16391	4.2
193.15916	2.9
207.07985	3.3
231.20998	6.2
235.07513	2.8
241.19421	6.9
249.22105	6.1
259.20615	13.2
264.11179	2.4
269.54269	2.4
277.21603	100.0
295.06281	3.7
295.09576	12.6
295.12869	4.7
295.17184	2.3
295.22665	49.8
309.58261	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	295.2263
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03939	5.2
55.01857	2.8
55.05503	21.5
57.07060	7.4
65.58157	2.3
67.05500	73.6
69.07057	27.1
69.78457	17.7
70.23557	3.8
71.04973	4.2
72.00542	2.8
74.10885	2.7
79.05488	49.6
81.07050	100.0
83.04971	6.7
83.08611	20.3
85.06543	4.7
85.10181	15.5
91.05466	32.7
93.07031	67.1
95.04945	8.3
95.08599	62.9
97.06517	11.5
97.10140	6.6
97.10720	3.3
99.08110	4.2
105.07037	26.9
107.08581	40.3
109.06499	43.2
109.10136	31.9
111.08058	4.6
113.09640	9.7
115.59044	2.5
117.07012	8.1
119.08562	20.3
121.06425	6.1
121.10135	23.7
123.08059	6.5
123.11696	11.3
131.08557	13.2
132.60182	3.2
133.06534	3.3
133.10135	32.0
135.08040	8.1
135.11661	17.7
137.05966	22.8
137.09650	6.3
137.13240	8.9
139.07553	5.6
143.08521	4.0
145.10118	9.2
147.08067	4.3
147.11673	18.6
149.09590	8.5
149.13229	25.6
157.10179	6.2
159.11713	6.6
161.13251	7.7
163.11182	3.7
163.14830	10.1
165.09116	5.8
167.14281	7.9
171.11740	8.6
173.13123	4.8
175.11168	5.6
175.14861	4.8
177.12717	4.8
177.16299	2.6
179.10750	2.9
185.13182	4.3
186.52917	3.4
189.12741	5.3
193.12291	8.1
203.14270	2.9
207.13821	6.7
207.77853	2.9
217.19571	12.4
241.19429	13.5
259.20584	16.8
270.91833	3.2
277.21603	39.3
295.09711	3.5
295.13089	5.6
295.22769	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	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03934	8.1
55.01866	9.4
55.05506	49.1
56.20010	4.4
57.07061	7.8
65.03956	5.0
66.58530	5.8
67.05173	8.6
67.05501	100.0
69.03409	6.3
69.07051	41.8
69.74215	20.2
69.74627	8.4
71.08627	42.1
73.42561	5.0
78.02191	5.2
78.47924	5.5
79.05482	54.0
81.03420	25.3
81.07043	76.8
83.04964	20.3
83.08607	23.1
85.06514	6.6
86.09685	16.2
91.05457	32.9
93.07032	66.1
95.04961	23.0
95.08595	46.8
97.06499	11.8
97.10165	20.6
97.28614	5.5
98.21535	6.1
99.08082	42.3
105.07011	33.1
107.04937	7.3
107.08600	37.7
109.06504	5.8
109.10136	34.7
111.08047	7.3
117.07016	7.7
119.08585	19.9
121.06522	6.2
121.10148	28.9
123.08047	8.3
123.11678	6.7
125.09633	12.0
129.07007	7.3
131.08534	7.6
133.06480	7.6
133.10139	22.0
135.11688	20.6
137.06061	8.1
145.10127	12.4
147.11664	12.6
149.13251	11.7
151.11160	38.3
153.12727	7.3
157.09976	6.0
161.13211	16.2
163.11136	10.1
169.67480	5.0
171.11612	8.8
173.13191	5.5
177.12737	5.2
179.14304	17.1
184.07262	25.0
189.11203	9.3
203.14426	6.3
221.15169	6.7
241.19400	6.8
252.11464	4.8
259.20496	14.7
263.10876	5.5
264.11481	7.9
265.08887	5.1
277.18732	10.3
277.21603	74.7
295.09836	9.4
295.13251	23.1
295.22632	16.4
296.09207	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2263
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03916	9.3
54.77851	5.9
55.01863	6.9
55.05507	41.6
57.03423	6.6
57.07053	21.5
67.05501	95.0
69.03402	6.7
69.07051	34.6
71.04972	6.6
71.08628	47.7
71.53127	11.4
79.05487	74.3
81.03396	10.5
81.07053	88.9
83.04969	22.8
83.08607	34.3
91.05469	51.3
93.07038	87.5
95.04939	19.7
95.08609	84.5
97.06499	12.8
97.10143	20.3
99.08087	45.3
105.07021	32.1
107.08584	58.5
109.06483	8.4
109.10148	41.9
111.08042	6.5
111.35392	6.5
117.07003	8.6
119.08569	28.2
121.06464	11.1
121.10120	53.4
123.08070	6.7
125.09615	15.2
131.08525	7.9
133.10110	22.7
135.11668	55.5
139.47635	6.6
141.09087	7.2
145.10078	8.0
147.11702	10.3
149.13208	18.3
151.11130	18.5
161.13252	12.8
175.11107	9.0
179.14276	100.0
233.22685	9.3
235.16776	8.0
259.20578	7.4
277.21704	62.3
295.05927	8.4
295.09851	10.3
295.13272	16.3
295.16763	13.5
295.22656	15.8
302.16147	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	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03939	27.3
55.01859	10.5
55.05506	31.9
57.07054	6.3
65.03923	4.4
67.05502	72.2
69.07063	41.2
70.13683	17.4
71.04963	3.9
77.70378	3.4
79.05489	41.6
81.03411	84.3
81.07048	58.6
83.04985	21.8
83.08592	15.4
85.10146	4.3
91.05481	24.2
93.07034	55.7
93.70623	4.4
95.04955	53.1
95.08592	24.8
97.06509	6.1
97.10130	9.6
97.84511	4.0
98.21423	5.4
99.08071	4.7
105.07031	25.6
107.08574	33.6
109.06492	12.8
109.10108	21.4
111.08064	4.6
113.09557	5.1
117.07001	4.9
119.08552	17.6
119.73497	4.1
121.10157	19.5
123.11676	8.2
125.09602	10.2
133.10141	27.1
135.08037	9.1
135.11644	11.8
147.11659	15.1
149.13199	9.7
151.11163	57.2
153.09062	5.6
161.13237	17.3
163.14865	6.4
165.12772	12.0
171.11647	6.1
175.14882	6.5
179.14325	5.7
189.12819	4.6
193.12198	6.3
207.13751	9.1
217.19400	5.2
219.80824	4.3
231.21130	15.3
241.19398	10.4
249.22289	5.5
259.20459	10.8
263.10938	5.2
277.21603	100.0
295.12939	4.0
295.16174	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	295.2264
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.32135	3.9
53.03934	10.7
55.01860	5.5
55.05507	45.8
57.07063	16.9
57.90515	3.6
58.55688	3.7
65.03930	5.9
67.05499	97.8
68.83415	3.6
69.07053	40.4
70.56791	9.3
71.04973	17.2
71.08622	11.8
79.05485	72.5
81.03399	9.1
81.07045	100.0
83.04965	12.5
83.08616	31.1
85.06531	6.0
85.10164	3.5
91.05473	36.8
93.07033	81.4
95.04971	33.1
95.07986	5.4
95.08598	96.7
97.06512	28.0
97.10180	23.3
99.08121	4.0
105.07022	31.4
107.04951	6.1
107.08589	44.8
109.06487	8.5
109.10143	29.1
111.04427	15.7
113.05984	8.3
117.07042	7.3
119.08563	33.7
121.06491	12.7
121.10126	56.9
123.04425	10.3
123.08047	5.8
123.11712	22.2
125.05984	16.6
129.05408	5.0
129.06990	5.7
131.08551	12.6
133.10106	32.2
135.08023	4.3
135.11711	22.6
137.09593	6.6
137.13225	17.3
139.07533	4.1
139.11089	6.2
141.12692	5.9
143.07007	12.2
143.08595	3.9
145.10100	7.3
147.11653	18.5
149.09596	5.7
149.13232	8.1
151.07523	14.7
157.10164	5.7
159.11681	5.4
161.09631	5.2
161.13286	10.6
163.14813	45.3
167.10608	6.5
169.08594	5.0
171.11752	6.0
175.11166	7.5
175.14838	6.1
177.12759	6.0
177.16403	15.0
179.10680	4.0
179.14336	4.5
185.13268	6.7
193.12201	10.2
207.13754	8.8
215.18027	4.3
217.19463	24.9
231.21049	10.9
237.05708	3.8
241.19389	21.3
249.22136	15.2
251.07100	8.5
259.20563	22.0
264.11627	4.5
277.21579	62.2
295.09598	19.1
295.12946	7.5
295.22748	20.5
298.05457	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03936	6.1
55.01864	6.4
55.05509	25.4
57.03421	3.9
57.07059	11.1
67.05500	64.2
69.07072	24.1
69.86651	15.6
71.04984	4.5
71.08614	6.0
79.05495	44.5
81.03407	6.5
81.06588	5.7
81.07051	100.0
83.04968	7.1
83.08620	19.7
85.06530	4.3
85.10178	14.6
91.05470	36.7
93.07038	59.8
95.04967	13.4
95.08608	71.1
97.06516	10.6
97.10153	9.8
99.08075	6.5
105.07041	24.3
107.08588	45.9
109.06520	44.7
109.10144	23.0
111.08080	6.2
113.09636	9.0
117.07001	5.0
117.44837	2.4
119.08588	20.4
121.06456	3.4
121.10135	30.1
123.08025	7.3
123.11678	17.8
129.07002	5.7
131.08588	15.9
133.06450	4.8
133.10123	27.5
135.08046	8.8
135.11668	19.0
137.05952	14.1
137.09593	7.0
137.13222	8.6
139.07526	3.9
142.73962	3.1
143.08574	6.7
145.10115	7.9
147.07944	3.4
147.11710	16.4
149.09576	7.2
149.13223	25.4
149.97174	3.3
151.11209	4.3
153.09108	7.5
157.10117	6.0
159.11670	6.7
161.09581	4.8
161.13225	8.7
163.11159	4.7
163.14812	10.1
165.09116	4.9
165.12714	3.2
167.10652	3.6
167.14285	6.7
171.11621	5.2
173.13266	2.7
175.11183	6.3
175.14832	5.8
177.16348	6.0
185.13313	2.6
187.01854	3.0
189.12814	3.6
193.12196	4.4
195.13943	2.9
207.13814	5.7
217.19490	8.7
221.15315	4.2
241.19569	13.0
259.20535	13.0
276.19308	2.6
277.21616	39.6
278.22037	6.6
295.13312	4.2
295.17072	3.6
295.22791	20.5
303.31680	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03939	4.2
55.01857	13.1
55.05505	40.7
57.03435	5.9
57.07071	48.0
67.05497	87.3
69.07059	36.5
71.04969	13.7
71.08621	8.5
71.13988	6.6
73.02897	12.4
79.05481	64.6
81.03391	4.1
81.06587	5.6
81.07047	100.0
83.04958	11.5
83.08614	42.2
85.02376	2.8
85.02893	51.9
85.06521	6.5
91.05471	29.4
93.06482	4.1
93.07034	62.6
95.04951	26.0
95.08600	74.7
97.06525	23.5
97.10169	20.9
98.98444	2.9
99.04466	2.9
99.08044	2.9
101.02375	29.2
105.07011	35.9
107.04924	7.7
107.08584	46.0
109.06526	4.2
109.10152	29.4
111.04411	14.4
111.08056	4.8
111.11727	4.0
113.05977	11.0
113.09622	3.4
115.57119	2.6
117.06999	6.5
119.08575	32.8
121.06491	7.4
121.10132	58.1
123.04406	8.1
123.08058	9.1
123.11702	19.9
125.05984	11.1
125.09520	3.5
129.05444	3.7
129.06958	4.9
129.86702	2.5
131.08557	9.6
133.06425	3.0
133.10118	39.9
135.08054	6.3
135.11670	12.1
137.05937	9.0
137.09595	6.4
137.13206	20.2
139.07524	6.5
139.11156	11.2
141.12737	5.7
143.07014	7.9
143.08614	3.5
145.10110	5.6
147.08038	4.1
147.11678	18.5
149.09648	3.4
149.13237	8.8
151.07512	8.5
153.09105	3.2
157.10155	8.1
159.11665	4.3
161.09601	10.8
161.13237	12.8
163.11224	5.1
163.14812	41.9
165.05453	3.4
165.09184	4.2
165.12708	3.4
169.08556	3.7
171.11617	6.6
175.11165	22.2
175.14830	7.8
177.16354	7.4
179.10667	9.2
181.15831	5.0
185.13274	3.0
188.08272	3.3
189.12831	2.9
193.12222	24.2
195.13736	3.2
203.10638	5.8
217.19472	16.4
221.11710	47.2
231.21082	9.5
239.12692	11.8
241.19540	17.3
249.22116	11.2
259.20572	16.6
269.47705	3.4
277.18500	3.1
277.21576	49.3
295.05853	4.0
295.13226	5.9
295.19095	11.3
295.22638	18.0
295.26245	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	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03931	7.7
55.01868	40.3
55.05505	44.4
57.03412	4.4
57.07074	12.0
65.03906	3.5
67.05500	75.7
69.03407	10.9
69.07056	33.6
71.04977	6.3
71.08625	23.4
71.52941	2.0
79.05058	4.0
79.05486	45.2
81.03413	19.8
81.07045	78.7
83.04970	21.0
83.08614	23.0
85.02885	3.3
85.06509	6.9
85.10171	13.3
91.05470	27.4
93.06475	3.9
93.07030	48.2
95.04956	25.3
95.08597	49.4
97.06516	21.8
97.10146	13.2
99.08083	23.6
103.05442	3.2
105.07017	34.9
107.04928	4.2
107.08583	29.9
109.06510	11.0
109.10142	28.3
111.04440	5.3
111.08065	32.7
113.09628	12.8
117.07005	8.6
119.08563	20.9
121.06484	5.2
121.10131	26.6
123.08049	7.7
123.11662	9.1
125.09613	7.0
127.11240	2.2
129.06995	5.0
131.08568	6.9
133.06512	4.8
133.10118	22.1
135.08032	5.2
135.11658	17.0
137.05948	3.1
137.09593	6.8
137.13229	5.4
139.11139	7.0
145.10118	6.3
147.11649	22.1
149.02356	9.0
149.09619	8.5
149.13252	15.8
150.06706	3.0
151.07512	6.4
151.11160	24.5
153.12723	4.5
157.10191	3.7
159.11664	7.3
161.09563	2.6
161.13246	10.2
163.11191	8.7
163.14790	6.0
165.09097	19.2
165.12741	17.1
167.14288	3.2
171.11690	4.9
173.13403	2.5
175.11200	4.7
175.14793	8.5
179.14278	11.2
181.12236	3.6
185.13257	2.9
189.11166	4.7
189.12794	3.5
189.14659	2.7
189.16391	4.2
193.15916	2.9
207.07985	3.3
231.20998	6.2
235.07513	2.8
241.19421	6.9
249.22105	6.1
259.20615	13.2
264.11179	2.4
269.54269	2.4
277.21603	100.0
295.06281	3.7
295.09576	12.6
295.12869	4.7
295.17184	2.3
295.22665	49.8
309.58261	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	297.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.6
55.01865	12.2
55.05500	28.8
57.03426	9.8
57.07053	4.4
59.82211	3.3
61.02917	21.6
67.05489	14.9
69.03428	26.6
69.07059	17.6
71.04990	48.3
71.13500	3.5
71.26045	12.1
73.02903	15.9
79.05487	28.4
81.03407	20.5
81.07051	35.6
83.04964	7.6
83.08584	4.0
85.02901	28.6
85.06560	3.9
91.05475	41.8
92.33076	3.9
93.07034	51.0
95.04953	15.8
95.08598	29.8
97.02874	25.3
97.06517	5.1
103.03937	8.2
103.05455	4.0
105.07021	63.5
107.04244	2.9
107.04939	66.2
107.08587	51.1
108.18497	3.7
109.06509	17.3
109.10143	18.8
111.04446	6.6
113.60783	4.2
115.03922	11.6
115.05492	8.1
117.07031	27.2
119.04904	7.1
119.08575	56.1
121.06499	22.0
121.10137	43.2
123.04485	6.5
123.08055	14.7
123.11687	11.5
125.05957	5.4
129.05476	9.0
129.07036	11.0
130.07837	5.5
131.08563	30.8
133.06470	16.9
133.10098	22.6
135.04417	6.8
135.08035	14.2
135.11684	26.3
137.05956	9.2
137.09604	10.6
137.13264	7.8
141.06940	3.9
143.04967	5.3
143.08527	18.7
145.06461	12.6
145.10129	33.1
147.08015	19.0
147.11662	19.9
149.13182	5.2
151.07533	4.9
151.11153	12.2
153.05513	4.5
155.08528	6.2
157.10110	8.5
159.08023	9.0
159.11661	14.7
161.05988	6.8
161.13255	7.1
163.11111	22.4
165.07144	5.0
165.09123	6.1
165.12744	19.6
171.08095	5.5
171.11639	4.7
173.05933	12.4
173.09595	31.7
173.13232	6.1
175.07564	4.3
175.11241	9.3
177.12750	39.5
182.07375	6.2
187.11252	8.2
189.12749	20.9
191.08557	4.5
191.10632	14.7
191.14407	4.2
193.08711	6.1
193.12260	5.2
197.09610	7.1
197.13097	5.0
201.12671	9.0
205.06493	6.1
205.12273	6.6
207.13791	11.1
209.09601	13.2
215.14360	7.4
219.13838	11.6
225.09135	7.4
231.13753	9.5
233.15494	4.9
237.09059	15.6
243.13692	11.7
255.10237	12.1
261.14828	23.5
265.08615	10.1
267.10104	28.0
279.15906	23.8
297.11276	16.3
297.16864	51.7
298.14346	100.0
298.17535	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	297.1693
Annotation	4-O-Methylhymenoxon
Peak:m/z	Relative Intensity
53.03930	14.0
55.01856	11.9
55.05502	35.9
56.86018	4.4
57.03429	28.0
57.07070	7.1
59.04990	11.1
61.02914	17.3
65.03941	5.8
67.05482	35.9
69.03422	67.7
69.07058	68.2
70.12840	23.6
71.01324	6.6
71.04982	29.4
71.08624	4.8
72.27616	4.6
73.02908	26.7
77.03909	5.6
79.05486	34.6
81.03400	30.8
81.07043	83.8
83.04966	47.7
83.08609	11.5
85.02898	65.0
85.06532	12.4
87.04463	5.3
90.71165	5.3
91.05444	59.8
93.07032	100.0
95.04951	36.0
95.08604	47.4
97.02878	27.9
97.06512	20.6
97.10151	6.7
97.82878	4.2
99.04432	12.4
101.02349	9.3
103.03949	13.6
103.05444	5.4
105.07013	77.9
107.04955	27.6
107.08578	84.5
109.02840	8.7
109.06511	29.6
109.10148	35.0
111.04414	13.2
111.08075	19.3
115.03888	13.6
115.05435	8.7
117.07027	18.1
118.96081	4.2
119.08549	52.0
121.06489	13.5
121.10130	54.0
123.04451	11.9
123.08038	21.5
123.11694	24.5
125.05970	6.7
125.09621	6.7
127.03897	17.1
128.06221	8.9
129.06984	11.2
131.04858	7.4
131.08553	33.9
133.05011	5.4
133.06442	11.8
133.10107	26.6
135.04405	14.7
135.08026	39.3
135.11667	54.8
137.05954	9.2
137.09584	16.8
137.13185	10.3
137.36179	5.3
141.06956	6.0
143.08522	12.1
144.78812	5.5
145.06477	10.0
145.10106	38.0
147.04405	5.6
147.08038	18.3
147.11642	33.4
149.05968	8.8
149.09586	37.5
149.13190	9.3
151.07495	13.6
151.11200	16.0
153.12779	11.0
155.08534	5.8
157.10104	9.8
159.11667	19.9
161.06012	5.5
161.09631	15.4
161.13214	14.0
163.07539	8.4
163.11125	29.3
163.14783	6.3
163.56639	5.1
165.05472	5.1
165.06914	5.8
165.09116	13.8
165.12761	23.6
166.07794	7.9
167.08525	5.0
169.10045	6.2
171.07980	7.5
171.11662	12.7
173.09587	11.8
173.13229	7.2
175.11189	13.5
177.09122	15.4
177.12721	75.7
179.10625	7.7
179.14337	11.8
183.08092	6.3
189.12706	16.3
191.10689	7.3
191.14355	8.2
193.12180	12.7
194.07259	9.5
201.12772	15.9
205.06479	14.0
205.08362	4.9
205.12190	10.6
207.13754	24.8
215.14383	8.1
219.13782	14.5
221.11754	4.9
222.06721	13.0
225.16301	4.8
231.13658	6.5
233.15297	11.1
235.13303	9.4
236.08186	5.6
237.09099	38.6
237.14801	10.1
239.07018	9.1
243.13774	13.4
249.14978	4.5
250.06206	7.2
251.06934	5.5
255.10202	5.0
261.14954	29.0
265.08524	43.4
266.09113	8.3
267.10034	4.5
269.08066	8.4
269.33585	4.9
279.15845	48.3
279.22931	5.5
282.08627	6.9
297.07693	11.9
297.11267	63.9
297.16925	84.3
298.14359	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	297.2423
Annotation	Coronaric acid
Peak:m/z	Relative Intensity
53.03930	3.2
55.01861	3.0
55.05504	27.2
57.03436	1.2
57.07067	7.6
67.05499	71.9
69.03413	1.2
69.07061	34.7
71.01579	1.7
71.01914	0.9
71.04968	4.5
71.08614	2.2
79.05489	24.4
81.03408	2.4
81.07048	100.0
82.07370	1.7
83.04957	5.0
83.08149	2.1
83.08613	26.7
84.08941	1.6
85.02898	3.2
85.06525	4.7
85.10178	1.5
87.04434	1.3
87.64912	1.1
91.05467	17.0
93.07032	43.2
95.04940	4.2
95.08597	91.1
96.08955	1.4
97.06513	4.8
97.10154	13.8
99.08062	2.2
105.04455	2.0
105.07020	16.2
107.04914	3.3
107.08587	30.0
109.02812	1.8
109.06491	4.3
109.10145	44.7
111.04460	1.5
111.08080	2.9
111.11708	5.4
115.05447	1.8
117.07012	5.2
119.08573	18.2
121.06502	6.0
121.10129	22.0
123.04443	1.4
123.08089	6.0
123.11701	19.9
125.09578	3.1
125.13229	1.5
131.08551	12.3
133.10114	13.8
135.08044	6.9
135.11673	16.9
137.09595	5.3
137.13214	7.7
139.07518	2.0
141.09064	1.7
143.07004	1.6
145.06419	1.8
145.10098	6.9
147.11693	9.5
149.09630	5.9
149.13254	6.5
151.11183	6.5
151.14806	2.6
153.09100	4.7
155.10617	1.3
159.11662	9.5
161.13240	8.0
163.11172	5.1
163.14772	4.4
165.06876	1.6
165.12730	4.4
165.16356	1.3
167.08682	1.2
167.10661	3.6
173.13220	7.7
175.14803	2.3
177.06999	3.0
177.12749	3.6
177.16362	1.3
178.07715	1.6
179.08482	1.6
179.14268	3.5
181.12195	4.4
184.82747	1.3
185.13252	1.5
187.14844	3.6
191.14253	2.2
194.07312	5.9
195.07826	1.2
195.13866	3.0
201.12730	1.2
201.16347	2.7
205.06441	7.2
205.15781	1.4
206.07104	1.7
207.04210	1.1
209.09550	2.8
209.15317	3.2
211.07529	2.9
217.19443	2.5
219.21094	8.0
221.05899	1.6
222.06749	7.9
223.07533	2.7
223.16830	1.7
225.09019	1.3
233.06026	2.4
237.09091	12.8
239.07004	1.4
241.08722	1.7
241.12022	1.3
243.21068	16.4
247.07639	1.4
250.06198	5.6
251.06934	1.4
254.09430	2.2
255.10104	1.1
255.13643	1.1
259.33856	1.1
261.22147	7.0
265.08551	22.1
266.09143	2.4
269.08051	1.2
269.11691	1.6
279.10156	1.3
279.23157	12.5
282.08850	4.6
297.07730	3.0
297.11185	35.2
297.14664	3.0
297.18381	2.5
297.21594	1.9
297.24640	1.9
298.11554	3.1
298.14560	2.1
299.06210	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.2
55.05495	2.1
56.96558	24.5
57.03407	2.7
57.81060	0.9
57.98197	0.9
61.01128	2.4
61.02911	4.5
62.57748	0.8
67.05466	1.4
69.03418	8.2
70.06577	1.6
71.52356	1.6
71.95238	2.3
73.02891	2.9
75.02667	1.1
79.86321	0.8
81.03400	3.1
81.07027	1.5
83.04990	1.9
84.04528	1.0
85.02433	1.2
85.02895	16.3
87.04433	1.3
91.05438	1.6
93.07031	1.1
95.04922	1.2
97.02867	9.8
98.06047	0.9
98.97570	58.9
99.04428	1.8
101.00868	1.3
107.04945	1.4
109.02871	1.7
109.06480	1.1
110.97552	1.3
112.07573	1.0
114.05447	1.1
115.02464	1.3
116.98605	64.1
118.06519	3.3
119.01900	9.6
120.08057	2.5
123.04377	1.4
123.06796	2.1
125.14732	0.8
127.03878	4.7
128.98569	2.5
130.93274	2.6
131.01865	2.1
133.03441	1.9
133.07626	1.1
134.05977	2.5
134.99643	50.8
136.06166	44.9
136.07483	2.6
137.02905	4.0
137.05908	2.1
137.08337	0.9
138.05486	15.5
139.06294	1.6
140.00194	1.3
143.01894	1.4
145.03401	2.1
145.04951	1.5
146.99606	2.2
147.04393	2.5
148.07582	1.1
148.08670	1.5
148.94296	1.3
152.07077	6.8
153.00702	8.4
153.07822	5.0
154.04987	3.6
155.01880	1.5
157.03436	1.7
158.01273	2.3
158.06607	3.0
158.99635	2.5
159.03215	1.6
160.07562	2.4
161.02898	3.7
162.03011	1.6
162.09088	2.3
163.04120	0.9
164.07059	8.8
165.07423	1.9
165.08861	1.3
166.07222	6.2
166.08606	4.6
166.09688	1.5
167.05614	1.0
168.06429	1.0
170.06563	1.8
171.01311	1.7
172.94356	2.6
173.02934	2.0
174.00726	2.3
175.06194	1.2
176.07669	4.5
177.00769	3.8
177.07797	13.5
178.54454	1.1
179.55276	1.7
180.52043	1.1
182.03378	1.2
185.02785	1.1
187.04355	1.6
188.07657	8.1
188.55695	1.0
189.05939	1.1
190.05556	1.0
190.08575	8.5
190.95343	7.8
191.03912	1.4
192.98680	3.0
193.10861	8.2
195.08578	2.5
197.02922	1.3
202.08958	1.1
204.04730	4.5
205.05638	2.2
208.04970	1.3
208.96423	4.7
211.04460	1.8
212.02271	1.0
212.04109	1.1
216.98647	1.6
219.01851	3.1
220.02194	1.7
221.05090	2.7
222.05817	3.1
224.07292	1.7
230.03323	2.3
232.06691	1.3
232.96364	9.2
233.01396	1.3
234.99753	4.8
236.07339	5.5
237.02818	2.5
238.05609	3.1
239.11333	8.4
248.04526	1.4
250.97501	5.1
251.02493	8.4
252.06862	10.0
252.12166	1.4
254.08437	5.8
256.96265	5.6
257.05032	2.1
261.03040	2.2
262.05344	1.6
266.05029	2.0
274.02414	1.3
274.97421	56.0
275.06067	3.2
280.06146	1.4
280.09912	1.5
284.06033	1.3
289.07629	1.1
292.98483	46.1
293.03238	5.8
297.99023	2.7
298.07391	100.0
298.12869	7.6
298.18619	2.7
316.00052	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	298.0965
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
55.01870	0.2
61.00846	0.3
61.01147	5.8
69.03414	0.6
69.63783	1.0
71.01357	0.1
75.02695	2.5
81.03426	0.3
85.02905	0.3
94.04038	0.5
94.06526	0.2
97.02895	1.7
103.02149	0.2
109.02900	0.2
116.03413	0.2
118.06511	0.3
119.03539	0.9
120.04444	0.6
123.04421	0.2
132.08087	0.3
136.06174	100.0
137.02347	0.3
137.04562	0.6
137.06647	0.9
145.03154	1.3
146.05997	0.8
148.07466	0.2
160.07579	0.6
163.04222	1.1
194.11665	0.2
195.08154	0.3
209.06310	0.2
225.18390	0.2
238.10663	0.2
262.10675	0.2
280.11810	0.2
298.09634	2.4
299.05933	0.2
299.09189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.4
55.01855	4.7
57.03434	2.5
57.80650	1.6
61.02922	8.0
65.03938	1.5
66.54398	1.5
69.03428	8.2
71.04967	1.8
71.07076	4.9
73.02900	3.5
79.05455	2.7
81.03397	7.2
83.04990	1.7
85.02895	30.5
88.24635	1.5
91.05458	5.5
92.04971	6.3
94.06562	20.0
95.04948	4.6
97.02876	11.2
99.04435	3.0
101.02353	1.8
103.03929	5.7
103.61646	1.7
105.07009	1.6
106.06516	3.6
109.02847	3.3
111.04378	3.6
115.05447	2.5
117.05753	7.0
118.05180	1.6
118.06519	31.5
119.04925	3.1
120.04453	74.7
120.08035	2.0
123.04409	8.0
127.03873	5.7
130.06499	17.1
132.04430	4.5
132.08076	38.2
136.06186	17.2
136.07562	41.1
137.02359	8.8
139.03891	18.4
142.06493	2.8
144.05835	1.4
144.08061	4.3
146.05992	100.0
147.04362	2.3
148.00578	2.1
148.07567	11.1
148.49883	1.7
151.03888	7.1
151.07515	21.3
156.08092	3.7
158.05954	3.6
159.06804	4.0
160.07562	73.9
164.06996	1.7
168.10193	2.5
169.04994	3.9
170.09607	3.0
172.07559	18.6
178.08624	5.8
180.08070	3.3
181.08603	3.3
183.06842	2.6
184.07535	12.3
186.09070	2.7
190.08493	3.0
196.07582	5.0
198.09166	6.7
199.09517	1.7
200.07008	1.8
202.08597	7.9
214.08638	12.6
220.09669	2.3
226.08571	8.1
226.10654	3.2
232.09622	3.7
234.11374	1.5
238.10712	8.0
244.09703	9.5
244.24545	1.5
252.12360	3.5
256.11734	3.7
262.10718	8.2
280.11832	17.2
298.12836	77.4
299.05597	2.8
299.12970	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	298.1434
Annotation	Oripavine
Peak:m/z	Relative Intensity
53.25081	0.6
63.49044	0.5
70.32089	2.2
84.27472	0.5
91.05476	1.2
91.30978	0.6
93.06949	0.7
103.05466	0.6
107.04948	55.9
112.82157	0.6
114.14890	0.6
115.05444	5.1
119.04920	1.8
121.06519	4.4
131.04907	2.4
133.06485	1.3
135.04396	4.6
143.04916	7.7
145.06424	3.4
149.05939	1.5
161.06003	2.9
169.10033	0.8
173.05974	7.9
179.08540	3.3
181.06523	1.3
182.07266	1.9
183.08029	0.8
191.08513	1.7
191.38979	0.6
194.07263	2.2
197.09593	9.1
207.08003	1.1
209.09613	6.5
219.07977	1.0
225.09061	5.5
237.09099	7.3
255.10143	8.8
267.10156	19.5
268.10620	0.9
269.11810	1.5
298.14365	100.0
299.14801	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1275
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
55.05497	0.8
55.45726	0.5
61.27551	0.5
65.34751	0.4
67.01852	0.6
67.05495	1.2
68.99767	0.8
69.03421	0.9
69.07070	0.7
69.91341	2.1
69.91753	0.8
79.05493	3.3
81.07043	24.8
83.00835	0.9
83.01331	16.8
83.04961	3.5
91.05476	1.6
93.07038	2.0
95.04958	1.0
95.08565	0.9
97.06528	2.8
99.08077	0.9
105.07029	0.7
107.08521	0.9
109.06506	8.8
109.10163	0.8
111.04450	2.6
117.06943	0.6
119.08572	1.2
121.06487	2.0
125.05993	6.0
127.07538	18.8
127.67944	0.4
131.04898	2.1
133.81638	0.5
137.05939	0.8
149.05962	7.9
151.03903	0.9
151.07492	0.7
152.04648	5.5
153.05461	5.4
167.07051	2.3
175.07608	0.8
177.05437	6.5
179.03391	0.6
189.09085	0.4
195.06503	100.0
196.06911	1.1
203.06950	0.5
213.07552	38.1
214.08078	0.5
215.10692	0.8
225.09081	0.8
239.10866	0.6
253.08466	1.3
257.11700	1.2
268.10889	1.5
269.08063	0.9
271.16998	0.5
281.11578	0.5
284.10388	1.0
299.12726	65.8
299.19543	2.7
300.13000	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1276
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
53.03926	1.0
55.05500	1.3
57.07055	1.2
67.05476	2.2
68.99777	1.3
69.03412	1.1
69.07055	2.3
71.08585	0.8
71.52227	1.0
71.52602	1.0
79.05486	3.9
81.06595	1.4
81.07051	27.2
83.01337	16.2
83.04958	2.9
83.08596	1.9
87.30293	0.7
91.05447	2.2
91.20138	0.6
93.07005	2.6
95.04952	1.1
95.08585	2.7
97.02820	0.6
97.06501	3.1
99.08051	0.7
99.66467	0.7
105.07008	2.8
107.04921	1.1
107.08551	1.2
109.06514	8.9
109.10147	3.9
111.04436	2.7
119.08537	2.2
120.63984	0.7
121.06484	7.2
121.10105	1.9
125.05983	6.0
127.07539	20.1
131.04889	2.0
133.10130	1.5
135.04346	0.8
149.05965	18.4
151.07500	2.4
152.04695	4.9
153.05464	5.5
155.08493	0.9
161.05956	1.0
163.07510	0.8
167.07042	3.5
175.07578	1.1
177.05463	14.5
177.09195	0.9
189.09038	1.4
191.07065	0.8
195.06516	100.0
196.06877	1.4
201.09073	1.1
213.07559	44.0
215.10684	2.2
225.09027	3.3
229.08635	1.0
229.12224	1.5
238.09778	0.7
239.10417	0.9
240.07550	0.8
241.08549	1.9
243.10153	1.3
253.08647	2.8
257.11664	1.7
267.09961	0.8
268.10928	6.3
269.08093	0.9
271.16895	3.0
284.10321	1.6
299.09573	2.6
299.12750	76.7
299.16177	4.7
299.20001	3.1
299.25909	1.2
300.13089	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	10.7
53.03930	7.6
55.01858	5.6
55.05508	72.5
55.41084	4.6
57.03426	41.3
57.07058	6.0
59.04992	11.1
67.05496	40.8
69.03418	5.4
69.07066	16.5
69.47888	3.9
70.85701	4.2
71.01366	8.4
71.52176	5.7
71.52607	5.5
73.27559	5.6
79.05477	38.1
81.03410	13.1
81.07047	87.6
83.04943	6.9
83.08611	39.4
85.06491	6.7
91.05464	68.5
93.07032	41.2
95.04972	15.1
95.08617	25.1
97.02896	12.9
97.06539	12.8
97.10152	7.8
99.00803	62.9
105.07021	57.0
107.04926	16.7
107.08558	29.0
109.02884	21.2
109.06504	6.1
109.10159	27.0
111.04391	6.7
111.08080	5.6
115.03938	10.0
117.06965	5.2
119.04935	8.7
119.08608	32.4
121.06489	24.9
123.04459	7.3
123.08051	6.0
123.11691	12.5
126.59541	4.9
127.03889	11.2
128.06233	6.1
133.10129	100.0
135.08061	6.7
137.05940	5.4
139.07535	11.4
143.08585	14.1
147.04419	5.3
149.05994	10.8
151.07510	7.2
151.11185	33.3
161.09621	41.8
171.08066	10.9
177.05472	8.6
179.10690	30.3
189.09061	42.2
197.11729	11.7
207.10190	9.8
215.10591	7.9
225.09206	10.1
225.11182	38.0
243.10097	7.9
243.12273	6.5
268.10883	12.9
271.16949	13.4
299.15070	62.6
299.20105	7.7
310.47165	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	299.1638
Annotation	Auroglaucin
Peak:m/z	Relative Intensity
53.03931	1.9
55.05493	4.7
57.03430	1.1
67.05502	15.7
69.06734	1.4
69.07066	19.7
69.57590	8.0
79.05483	9.5
81.07048	100.0
83.08606	2.8
91.05442	5.0
93.07023	5.3
95.04971	1.1
95.08597	6.9
97.10163	1.4
98.20752	1.8
103.05459	1.1
105.06406	1.1
105.07019	6.7
107.08582	4.6
109.10146	28.1
115.05486	1.3
117.06957	1.9
119.08586	2.7
121.06487	19.4
121.10128	3.6
121.96414	1.1
123.08081	2.6
129.06995	3.3
131.08507	1.3
133.10104	3.2
135.08047	9.9
135.11676	1.9
137.05972	2.4
141.06973	2.1
142.07770	1.5
143.08521	1.7
147.07953	1.6
149.05965	31.8
151.07553	6.3
153.07024	1.2
155.08525	3.3
157.06438	2.1
158.07243	3.7
159.08015	1.9
161.05965	1.3
161.09538	1.4
161.26523	1.1
163.07529	14.3
165.09126	2.0
167.07018	1.4
169.10146	2.2
171.08086	2.5
172.08829	11.7
173.09581	4.9
175.07529	6.1
177.05457	25.6
177.09015	6.0
179.08588	1.7
183.07970	2.0
184.08723	1.3
185.09612	2.7
186.10329	1.6
187.07527	3.8
187.11180	4.8
189.09114	8.7
191.07039	13.6
191.10684	6.5
195.08093	1.5
196.08745	1.8
197.09590	3.7
199.07538	2.4
200.08237	1.6
201.09077	12.1
201.12642	1.8
203.10580	2.2
205.08574	4.7
211.11188	4.0
211.14777	2.0
213.09087	2.1
214.09782	2.0
215.07161	1.4
215.10654	34.2
217.08572	2.1
225.09099	1.5
225.11121	1.4
227.10689	1.4
229.08638	12.1
229.12230	11.5
231.10213	2.8
239.14435	1.6
243.10155	32.0
253.15726	1.1
256.14645	1.4
257.11697	13.7
271.16891	30.9
275.68875	1.1
299.12802	2.6
299.16360	17.3
299.19803	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	300.0237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	6.1
66.33167	1.6
69.42387	15.4
71.95252	1.9
87.15912	1.8
90.71195	1.6
98.97575	40.3
104.02557	1.7
116.98613	35.5
119.01924	5.8
120.02036	2.8
121.01643	5.0
132.05055	3.9
134.99661	17.8
137.03000	3.4
150.06099	2.4
153.00746	3.6
155.06963	4.7
174.00679	2.0
176.08365	3.0
177.00948	25.3
178.01073	3.7
179.00641	9.9
186.06709	1.8
188.08357	2.5
190.06152	2.4
193.98915	1.9
201.00954	4.1
205.02206	2.3
210.95883	4.9
214.09912	2.0
218.03600	5.3
219.01976	100.0
220.02069	15.2
221.01750	13.4
222.01636	2.8
234.95723	3.3
234.99779	2.8
240.98576	3.2
242.03627	3.0
244.00917	1.7
252.96977	3.9
256.05096	4.2
258.03101	13.7
258.99640	27.3
259.02048	2.3
259.05182	2.1
260.02567	2.8
261.02795	2.8
262.03201	5.6
263.02866	17.5
267.95856	2.2
275.97610	2.9
276.04132	11.1
276.97128	8.4
277.00797	47.9
278.00903	3.0
294.97791	3.7
299.97958	3.8
300.04065	17.4
300.09808	23.3
301.01031	4.5
317.98676	9.8
318.05276	7.1
318.98590	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.159
Annotation	(S)-N-Methylcoclaurine
Peak:m/z	Relative Intensity
51.02379	0.5
53.03935	1.0
55.01863	0.8
55.05498	0.7
57.26855	0.6
57.86965	0.5
58.89322	0.5
64.44017	0.5
69.03410	0.8
70.58259	1.0
79.05481	1.4
81.03416	0.9
82.44682	0.5
83.04999	1.1
85.02888	0.7
91.05456	3.3
93.07008	1.7
95.04955	2.1
96.04499	0.5
97.02920	0.9
103.05456	1.5
105.07014	1.0
107.04943	86.7
108.05269	1.4
114.09138	1.3
115.05447	5.1
117.06999	1.4
119.04931	1.7
121.06477	6.0
122.03598	0.6
123.04365	1.2
124.07586	2.7
131.04971	2.9
133.06479	1.0
135.04353	0.7
137.02362	0.9
137.05966	8.8
138.05334	0.6
138.09120	0.7
139.03856	2.7
139.07411	0.5
141.06921	0.8
142.08626	0.7
143.04890	10.6
144.05698	0.8
145.06471	7.5
146.89684	0.6
147.04472	0.7
147.08061	0.8
149.05930	3.6
151.03868	2.3
151.07530	1.6
153.06966	0.7
155.06029	0.7
157.06357	0.6
160.05138	3.1
161.05965	0.8
163.03896	0.7
163.07544	2.8
165.06932	0.9
166.07712	1.4
175.07521	12.9
176.07933	0.5
177.05469	2.6
178.08626	1.2
179.08458	0.8
181.05017	0.6
181.06448	2.2
181.10118	1.7
182.07280	1.8
190.07787	0.7
191.08569	2.6
192.10179	2.5
194.07266	3.0
195.08092	1.5
197.06097	0.7
197.09625	3.3
198.06779	0.5
201.05655	0.5
207.08096	0.6
209.09612	7.8
210.06641	1.1
211.07558	0.6
219.08066	1.8
223.07573	0.9
225.09062	2.2
226.06026	0.7
237.09096	10.5
238.09845	0.8
239.07007	1.1
241.08495	1.1
241.20372	0.5
254.04936	0.5
254.09366	2.5
257.11655	2.7
269.11685	23.6
270.12070	0.7
271.13141	1.1
300.15903	100.0
301.06992	1.3
301.10568	2.2
301.16205	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	301.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57109	1.8
53.03925	2.0
55.01874	2.7
55.05504	3.8
56.96554	4.9
57.03418	4.4
65.03947	3.6
67.05487	2.9
69.03426	6.9
69.07046	4.1
69.34191	2.2
70.06596	20.9
70.35149	1.7
71.04980	2.9
71.52340	4.4
73.02917	2.8
78.04707	2.4
79.05476	5.1
81.03406	5.6
81.07050	3.4
82.06605	2.5
84.08114	3.3
85.02886	7.7
86.09692	5.2
88.76450	2.0
91.05452	9.7
93.07052	5.3
95.04956	5.1
95.08598	5.6
97.02877	7.9
98.97580	4.2
99.04433	2.5
101.90174	2.2
103.05453	8.7
105.07011	3.2
107.04934	5.4
109.02842	4.9
109.06507	2.4
109.10112	2.2
111.04437	4.5
112.07584	16.1
115.05418	3.0
116.07090	2.7
119.04919	4.7
121.06477	17.2
122.03622	2.2
122.06017	2.6
123.04389	12.0
124.05150	3.2
127.03924	5.0
131.04892	9.5
133.02776	4.0
134.10994	1.9
135.04398	7.1
137.02350	2.7
137.05960	18.3
138.09140	2.6
139.03873	30.8
140.03444	5.4
140.04622	5.1
140.07053	4.5
145.02802	3.0
145.04810	2.3
146.99590	3.1
147.04424	5.1
148.05191	3.4
149.05956	22.3
151.03886	6.5
151.07533	2.6
152.04677	2.6
153.05457	4.5
155.07027	3.6
158.08101	7.0
159.04402	7.2
161.02870	2.2
163.03885	4.9
165.05467	7.2
166.06256	8.1
167.07011	100.0
177.05450	58.7
182.05783	6.1
183.06406	2.2
191.07034	4.3
194.05742	3.5
195.06488	2.1
209.08064	21.7
212.06682	6.4
221.04604	2.1
225.07616	4.2
227.09111	23.2
238.11873	2.8
253.10748	2.2
258.05505	2.7
273.07529	3.4
283.05936	4.4
301.03485	3.0
301.06961	17.0
301.10373	4.5
301.14185	2.4
301.17773	2.8
301.21613	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	301.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.6
55.01864	8.0
55.05511	10.6
56.34663	1.8
57.03431	4.7
57.07068	3.3
65.03927	5.1
67.05495	13.5
69.03410	5.3
69.07059	12.5
71.04988	3.1
71.52481	1.8
73.02896	2.7
77.03936	3.5
79.05489	18.6
81.03399	7.0
81.07047	24.2
83.04956	8.5
83.08592	4.4
85.02905	4.2
85.06535	4.9
89.03918	2.6
91.05474	51.6
93.07039	20.9
95.04973	10.3
95.08585	15.7
97.02895	2.1
97.06513	6.5
99.04411	2.4
103.05457	9.7
105.07028	29.3
105.54848	1.8
107.04953	16.5
107.08584	18.0
109.02943	1.9
109.06526	10.1
109.10151	11.1
111.04447	3.4
111.08141	2.6
113.05991	6.8
115.05447	5.8
117.07030	7.8
119.04948	20.1
119.08594	16.2
120.05784	2.3
121.06509	28.9
121.10133	7.8
123.04458	6.8
123.08086	4.9
123.11662	2.8
125.05952	10.9
125.09614	2.2
128.06206	2.7
129.05453	6.1
129.06946	3.4
131.04933	14.9
131.08574	10.0
132.05750	2.9
133.02821	2.6
133.06483	9.4
133.10103	12.2
134.07291	4.3
135.04401	7.1
135.08023	11.7
135.11678	3.7
136.05191	3.1
137.05957	28.7
137.09621	5.6
139.03859	7.7
139.07558	3.0
141.06992	6.2
142.07726	2.0
143.04955	3.6
143.08540	4.5
145.06491	8.4
145.10149	12.3
146.07246	17.1
147.04388	3.8
147.08018	3.7
147.11673	8.1
148.05104	3.0
149.05957	18.0
149.09602	4.4
149.13242	2.9
150.06757	12.4
151.03899	8.4
151.07524	36.8
152.06151	12.6
153.06982	21.8
153.09058	2.9
154.07730	2.1
155.08527	7.3
157.06459	5.4
157.08502	1.9
157.10120	6.9
158.07262	2.9
159.08061	3.4
159.11653	9.9
161.05934	5.4
161.09593	3.7
161.13222	3.4
162.06805	2.6
163.03883	6.9
163.07507	15.0
163.11241	3.7
165.05592	4.7
165.07016	24.8
165.09111	76.8
165.10526	4.1
166.07770	6.8
167.07153	2.3
167.08553	7.3
168.05692	5.9
169.06511	9.9
170.07222	7.6
171.07993	3.0
171.11720	6.3
173.09602	3.9
173.13214	5.3
174.06752	3.2
175.07570	4.7
175.11140	3.3
177.05458	7.0
177.06981	5.6
177.09065	26.3
178.07742	4.6
179.08557	5.9
180.05663	4.1
181.06462	29.2
181.10095	5.3
182.07230	10.8
183.04420	5.4
183.06441	2.6
183.08041	21.6
183.11632	3.5
184.08746	4.1
185.05934	3.3
185.09668	3.9
185.13196	3.1
187.07558	8.1
187.14796	4.3
189.05493	3.0
189.09186	12.6
189.10760	2.6
191.10661	4.2
193.06482	3.4
193.12245	2.8
194.07262	7.9
195.08015	27.9
196.05170	4.3
196.08792	6.2
197.05966	13.8
197.09630	5.3
198.06735	17.3
199.07564	4.7
199.11232	2.4
199.14842	4.8
201.09094	5.5
203.10664	5.0
203.14314	4.5
205.08379	2.9
205.12360	2.8
208.05220	3.8
208.08904	2.8
209.05899	8.6
209.09563	16.3
210.06676	6.9
210.10368	14.9
211.04080	2.2
211.07507	24.2
212.08298	15.1
213.09077	15.6
213.16379	2.2
215.06992	5.1
215.10637	6.3
217.12312	2.4
223.07518	14.8
224.08299	2.9
225.05394	4.2
225.09093	10.0
226.06293	16.3
226.09819	9.7
227.06978	5.7
227.10712	11.0
229.04984	2.4
237.09100	5.2
238.09891	6.7
239.07021	7.1
239.10654	7.0
240.07690	4.9
240.11353	2.5
241.08638	20.8
241.12206	30.0
242.09248	3.5
243.06508	5.5
243.10129	5.0
251.06982	4.5
253.08633	3.6
254.09325	12.6
255.06349	2.4
255.07382	3.2
255.10132	43.2
255.21072	2.3
258.04977	2.4
258.08759	5.7
268.07153	2.3
269.08099	8.7
269.11691	22.4
270.12482	57.4
271.09622	16.7
271.12769	3.8
273.07825	2.2
273.11252	3.8
273.14752	2.3
283.06473	2.0
283.13409	2.6
283.20407	5.3
286.04764	2.1
286.08185	6.2
286.11978	19.5
301.03421	6.9
301.07071	16.9
301.10660	100.0
301.14267	40.3
301.17810	6.3
301.21609	24.4
301.25021	4.8
302.11035	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	301.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	4.0
65.03934	2.3
67.05508	3.2
69.03385	2.4
69.95378	9.1
71.04980	3.7
75.04485	4.3
79.05471	6.3
79.81713	2.0
80.86918	2.3
81.03386	3.9
81.07044	2.6
91.05484	23.9
93.07043	3.2
95.04965	5.4
95.08645	2.5
97.06502	2.5
103.05450	9.8
105.07034	15.1
107.04944	11.1
107.08596	2.2
109.06503	7.5
111.04476	2.6
112.11174	2.3
113.05988	6.1
115.05426	3.9
117.07024	4.4
119.04936	15.2
120.05644	2.5
121.06503	28.4
123.04473	3.0
125.05975	14.7
131.04912	10.4
133.06483	9.4
134.07272	6.1
135.04382	3.5
135.08043	8.0
136.05162	6.3
137.05968	13.6
141.07001	3.0
145.06445	6.4
146.07274	18.1
147.04405	2.5
148.05130	2.2
149.05966	14.1
150.06729	18.6
151.07536	55.5
152.06226	2.7
153.07010	3.4
154.96928	2.1
158.07201	3.8
161.05920	3.0
162.06784	1.9
163.07530	20.9
165.07098	14.0
165.09100	100.0
166.07710	5.9
166.09190	2.0
167.08546	7.2
174.06715	7.0
175.07564	2.3
177.09096	34.2
178.07761	3.5
179.08507	4.7
180.05740	2.1
181.06467	7.2
181.10107	5.1
182.07231	6.1
183.08018	14.9
184.08807	4.8
189.09076	14.2
194.07249	9.3
195.08061	28.0
196.08803	11.9
197.05925	2.1
197.09531	3.7
201.09116	6.2
203.10623	3.8
205.06447	2.1
209.09621	22.0
210.10429	15.4
211.07585	18.4
212.08228	15.2
213.09027	3.0
215.10661	5.3
223.07524	9.6
224.08308	4.3
225.09090	11.5
226.09851	14.1
227.10677	15.5
227.12569	2.6
237.09003	5.5
238.09843	9.0
239.07080	5.8
239.10744	10.1
240.07854	2.8
241.08525	4.5
241.12201	35.6
243.10135	7.0
253.08524	2.3
254.09381	15.0
255.10178	60.1
256.10583	3.6
269.11737	27.7
270.12473	71.9
271.09723	17.6
271.12436	3.8
273.14713	3.8
283.13281	2.8
286.12021	26.5
301.07065	6.8
301.10764	4.4
301.14227	48.7
301.21503	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	301.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16712	2.7
53.03947	3.1
53.10601	2.2
53.87074	2.1
55.01865	3.7
70.97074	5.7
70.97410	4.7
71.04974	3.9
91.05477	18.2
95.04964	5.1
97.06528	4.0
103.05460	10.3
105.07027	11.6
107.04951	11.6
109.06567	3.4
111.04446	2.4
113.06021	6.6
115.05460	4.9
117.07030	4.1
119.04967	15.6
121.06485	30.5
125.05977	17.5
127.12474	2.6
129.06995	3.1
131.04918	9.1
133.06473	5.0
134.07277	4.6
135.04358	3.4
135.08051	8.4
135.21692	2.3
136.05179	6.5
137.05978	14.4
141.12132	2.6
143.04857	2.6
145.06506	7.1
146.07281	13.8
147.08107	3.0
149.05978	14.6
150.06757	17.2
151.06425	4.8
151.07541	47.1
151.08691	4.5
153.06978	2.9
157.06522	2.1
161.05933	2.6
163.07513	15.3
165.06953	10.4
165.09103	100.0
166.07779	5.5
166.09348	2.3
167.08534	4.7
174.06781	3.8
175.07510	3.0
177.07028	2.6
177.07501	2.9
177.09088	28.1
178.09941	3.0
179.08557	3.8
181.06517	4.0
181.10101	4.0
183.08058	15.0
189.09102	14.6
194.07266	8.6
195.08064	19.2
196.08821	11.5
197.09633	5.0
201.09163	7.1
203.10712	4.3
205.08640	3.5
207.08022	3.2
208.08925	3.5
209.09590	20.1
210.10406	16.0
211.07541	19.3
212.08310	13.9
215.10692	8.0
223.07530	8.6
224.08327	5.3
225.09123	7.8
226.09766	11.5
227.10660	14.0
237.09117	6.4
238.09833	11.9
239.06984	7.9
239.10738	7.0
240.07753	3.3
241.12216	34.0
242.12729	3.2
243.10274	4.4
254.09378	12.4
255.10130	54.7
269.11710	22.4
270.12506	64.6
271.09705	12.6
286.11935	23.7
300.86948	2.7
301.07040	3.8
301.10880	4.4
301.14334	46.5
302.14615	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	301.1432
Annotation	Callosumin
Peak:m/z	Relative Intensity
50.46472	1.3
52.85730	1.2
53.03931	3.1
55.01862	7.7
55.05503	7.2
57.03431	5.3
57.07059	3.9
59.86335	1.2
60.99974	1.4
65.03921	4.7
67.05504	10.6
68.99804	1.8
69.03443	2.6
69.07058	5.7
71.04988	6.3
71.16168	3.4
73.02914	2.1
74.21716	1.3
75.04482	1.3
79.05486	12.3
81.03407	6.2
81.07055	11.9
83.04970	4.9
83.08614	2.3
85.02904	1.5
85.06546	3.5
88.74339	1.3
91.04901	1.8
91.05470	34.2
93.03394	1.3
93.07043	11.6
94.04189	2.0
95.04955	8.6
95.08602	8.0
97.02859	2.2
97.06518	7.8
97.10160	3.1
98.07323	1.5
99.04431	2.0
103.05457	12.0
105.03383	2.2
105.07024	23.6
106.01685	1.2
107.04958	17.3
107.08578	10.4
108.05736	1.7
109.06493	7.3
109.10141	5.3
111.04419	3.0
111.08081	1.7
113.06008	6.4
115.05451	5.2
116.04711	3.9
117.07005	7.1
119.04936	23.0
119.08588	8.9
120.05701	2.3
121.06496	35.5
121.10120	4.6
123.04451	7.0
123.08031	1.9
123.11716	1.9
125.05985	16.8
125.09629	1.5
127.07616	1.4
128.06163	2.3
129.05467	9.1
129.07016	2.5
131.04910	12.3
131.08551	2.8
133.06491	10.8
133.10126	5.6
134.03619	2.4
134.07274	6.5
135.04440	9.6
135.08047	11.7
135.11653	2.6
136.05170	5.1
137.02365	1.8
137.05971	19.3
137.09593	1.7
139.03906	7.0
140.78802	1.2
141.06984	3.8
143.04909	2.9
143.07008	1.2
143.08517	1.7
145.06479	9.7
145.10075	6.0
146.07243	15.6
147.04427	3.1
147.08058	4.3
147.11676	3.8
148.05139	3.6
149.02277	1.4
149.06004	17.5
149.09604	3.6
149.13373	1.5
150.06761	17.0
151.03951	6.1
151.07532	55.3
152.06189	6.2
153.01799	1.2
153.06963	13.0
153.09070	1.7
155.08537	7.8
157.06500	4.6
157.08641	2.3
157.10033	2.8
158.07240	3.1
159.04329	1.9
159.08035	3.5
159.11699	2.4
160.05338	1.9
161.05975	4.0
162.06694	3.9
163.03873	7.1
163.07526	18.9
163.11176	2.7
165.05574	2.8
165.06982	24.2
165.09103	100.0
166.07744	6.7
166.09338	1.6
167.07335	1.5
167.08595	9.7
168.05699	3.3
169.06456	6.3
170.07268	3.1
171.08072	3.6
171.11674	2.6
173.06081	1.9
173.13297	2.0
174.06821	6.1
175.07492	6.1
175.11249	1.6
176.08296	2.1
177.05452	4.6
177.07014	4.7
177.09087	31.2
178.07761	3.1
178.09842	2.0
179.07211	1.4
179.08536	6.7
180.05736	3.1
180.09018	1.5
181.04987	2.1
181.06477	17.9
181.10123	4.3
182.07216	6.4
183.08041	22.4
183.11659	2.2
184.08769	3.3
185.06003	2.1
185.09552	3.6
187.07533	4.9
188.08290	4.1
189.09103	12.3
189.11232	2.3
191.10658	2.1
191.14336	1.8
193.06462	4.2
194.07300	9.7
195.08029	32.7
196.05229	2.5
196.08784	7.8
197.05942	9.4
197.09653	5.6
198.06676	9.7
199.07512	4.0
199.11169	3.9
199.14825	2.7
201.09073	8.3
202.09784	1.4
203.07013	1.9
203.10677	4.4
203.14343	2.5
205.08470	3.0
207.07861	1.5
208.08923	1.8
209.05960	4.8
209.09596	22.8
209.11415	2.4
210.06743	5.8
210.10388	19.3
211.07542	22.5
212.08302	16.2
213.05484	1.5
213.09126	10.1
215.07120	2.9
215.10677	5.2
221.05957	2.6
222.06821	2.0
223.07492	13.6
224.08243	5.0
225.05473	2.9
225.09081	7.0
226.06332	9.2
226.09883	14.8
227.06949	3.7
227.10626	16.6
228.11380	2.1
237.09068	6.5
238.09854	11.7
239.07030	9.0
239.10632	8.5
240.07730	4.2
240.11363	3.1
241.05135	1.6
241.08575	11.8
241.12206	33.2
241.19516	1.4
242.09402	3.2
242.12758	1.4
243.06375	2.1
243.10104	5.2
245.15268	1.4
251.06935	1.8
251.10779	1.8
253.08563	5.0
254.09380	14.2
255.10130	58.0
258.08841	2.5
269.08087	6.6
269.11716	23.2
270.12479	70.7
271.06149	2.4
271.09610	14.8
271.12421	1.8
272.10242	1.4
273.07504	3.8
273.11246	1.6
273.14893	5.0
283.13345	3.0
283.20593	3.2
286.04898	2.2
286.08359	2.1
286.11978	29.4
301.03455	4.4
301.07043	9.0
301.10684	41.6
301.14328	43.8
301.21490	15.0
301.24945	2.4
302.11111	3.9
302.14569	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	301.1432
Annotation	Callosumin
Peak:m/z	Relative Intensity
53.03938	3.2
55.01868	2.4
55.05479	2.0
55.91825	1.3
56.26519	1.4
57.07074	1.7
60.66513	1.8
65.03924	3.1
67.05492	3.4
70.08467	5.9
71.04980	5.0
74.93935	1.3
79.05491	4.5
81.03397	3.2
81.07043	3.3
83.04971	1.4
86.29835	1.4
91.04906	2.3
91.05467	30.3
91.91996	1.4
93.07030	4.3
95.04932	4.5
95.08620	3.2
97.06512	4.4
98.50485	1.6
101.37312	1.5
103.05450	10.7
105.07022	16.4
107.04945	12.2
107.08573	2.2
108.05727	2.5
109.06516	6.4
113.05977	5.0
115.05447	2.5
117.07027	7.1
119.04926	16.9
119.08537	1.9
120.05721	2.1
121.05664	2.7
121.06495	31.2
121.10130	1.8
123.04471	1.7
123.08012	1.9
125.05984	13.5
127.07540	1.4
129.06999	2.6
131.04901	8.9
133.02888	1.7
133.06448	8.9
134.07253	4.8
135.04381	5.9
135.08060	8.5
135.11693	1.6
136.05185	6.4
137.05969	15.6
138.06703	2.0
141.06963	2.4
143.04860	1.9
145.06474	8.3
146.07268	16.8
147.04289	1.8
147.08063	2.2
148.05136	2.0
149.05972	13.0
150.03195	1.5
150.06752	17.1
151.07533	54.9
152.06213	2.1
153.06995	5.1
155.08482	2.1
157.06438	2.7
158.07195	3.7
159.08066	2.2
161.05949	3.2
162.06706	3.7
163.07518	18.8
164.08287	2.9
165.05510	2.8
165.07066	15.4
165.09093	100.0
166.07767	5.2
166.09393	2.4
167.08580	7.9
168.05666	2.3
169.06526	2.6
171.08040	3.1
174.06741	4.7
175.07518	4.8
176.06175	1.5
177.06963	3.7
177.09077	29.6
178.07768	2.7
178.09634	2.4
179.08585	4.9
180.05757	2.0
181.06476	7.3
181.10126	3.0
182.07259	5.0
183.08055	18.2
184.08768	3.4
188.08324	3.1
189.09099	13.4
191.08549	2.0
191.10667	1.6
193.06406	2.9
194.07259	10.5
195.08046	28.6
196.05252	1.7
196.08888	10.0
196.10396	1.8
197.05949	3.0
197.09616	4.3
199.11266	2.3
201.09106	6.8
203.10663	4.7
205.08511	2.0
207.07932	1.5
208.08775	2.7
209.09621	22.3
210.06844	1.7
210.10387	17.9
211.07518	23.6
212.08267	11.7
213.09047	2.7
215.10664	6.0
221.05862	1.5
222.06638	2.0
223.07513	10.4
224.08226	5.0
225.09055	8.1
226.09811	15.6
227.10651	14.3
237.09088	6.3
238.09833	9.4
239.07040	8.8
239.10605	7.8
240.07645	3.8
240.11490	2.4
241.08539	3.2
241.09595	1.7
241.12218	35.6
242.12524	2.7
243.10112	4.8
253.08577	3.0
254.09323	14.3
255.10135	57.2
256.10580	2.8
257.11819	1.8
268.10965	1.7
269.11703	25.4
270.12485	77.9
271.09656	17.7
271.12732	3.3
273.07648	1.7
273.14786	3.7
283.13220	2.2
286.11984	25.3
301.07166	3.0
301.10699	5.0
301.14255	47.6
301.21664	4.9
302.14679	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1431
Annotation	Callosumin
Peak:m/z	Relative Intensity
53.03934	3.2
55.01868	2.5
65.03933	2.0
67.05507	1.8
67.82775	1.4
71.04990	3.5
71.48682	3.2
78.21589	1.6
79.05488	6.3
81.03405	3.0
81.07026	1.7
85.06522	1.5
91.05469	28.0
93.03374	1.6
95.04959	4.8
97.06507	3.3
103.05448	10.0
105.07014	14.8
107.04956	13.0
108.05721	2.3
109.06492	5.6
113.05978	5.2
115.05425	3.3
117.07001	4.2
119.04938	17.2
121.06494	32.1
122.07149	1.5
123.04425	1.6
125.05997	13.5
131.04926	9.6
133.06476	10.8
134.07230	4.9
135.04391	5.3
135.08057	9.8
136.05162	6.5
137.05948	16.0
138.06750	1.9
141.06920	2.3
143.04938	2.9
145.06467	6.1
146.07225	14.6
147.04422	2.5
147.07968	2.2
148.05159	3.2
149.05963	12.6
150.06737	17.0
151.07527	56.2
152.06194	2.8
153.07024	3.8
155.08516	3.3
157.06461	3.1
158.07326	2.3
159.08109	1.6
161.06007	2.4
162.06772	2.0
163.07541	17.7
165.07059	15.4
165.09105	100.0
166.07742	7.0
166.09428	4.0
167.08582	5.6
169.06445	2.2
174.06714	5.3
175.07516	2.5
177.07030	3.9
177.09090	26.3
178.07822	2.5
178.09741	2.2
179.08575	4.4
180.05786	1.8
181.06494	4.5
181.10075	3.0
182.07224	5.4
183.08040	17.6
184.08813	2.6
188.08292	2.7
189.09065	13.5
191.08459	1.9
193.06487	4.4
194.07237	10.9
195.08047	30.5
196.05235	1.9
196.08821	9.2
197.05989	3.6
197.09605	5.4
199.11192	2.9
201.09146	5.4
203.10657	3.8
208.08917	2.2
209.09607	22.3
210.06789	2.5
210.10406	15.1
211.07574	22.0
211.11050	1.7
212.08310	12.0
213.08931	4.1
215.10733	3.4
223.07472	8.8
224.08327	4.6
225.09042	7.7
226.09879	15.1
227.10635	15.3
237.09103	6.1
238.09866	11.2
239.06993	9.1
239.10611	5.8
240.07797	2.9
241.08432	3.9
241.12233	36.7
242.12627	2.0
243.10165	4.5
253.08652	2.0
254.09294	15.0
255.10150	53.0
256.10422	2.5
269.11768	23.3
270.12479	73.6
271.09619	16.2
271.12854	4.4
273.14713	3.1
283.13165	1.8
286.11984	23.6
287.74072	2.1
301.06958	1.9
301.10873	2.5
301.14331	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.143
Annotation	Callosumin
Peak:m/z	Relative Intensity
53.03916	3.1
55.01862	5.5
55.05504	4.4
55.64094	1.9
67.05486	8.6
69.03422	3.3
69.07060	3.5
69.66860	6.8
69.67293	6.3
71.04970	5.3
79.05469	9.5
81.03400	3.1
81.07038	6.4
83.04933	3.2
83.08601	2.3
85.02899	2.9
85.06535	2.2
85.88799	2.0
91.05465	26.1
93.07034	4.9
95.04944	7.4
95.08601	9.7
97.02853	2.3
97.06512	5.2
98.20782	3.8
103.05460	12.5
105.07030	18.4
107.04943	13.8
107.08561	5.7
109.06477	5.6
109.10127	3.1
111.04405	3.2
111.63287	2.1
113.06002	5.6
115.05411	4.5
117.07011	4.1
119.04922	17.2
119.08571	4.5
119.23569	1.9
121.06472	33.2
123.04389	3.1
125.05994	14.7
129.07028	2.4
131.04919	13.7
133.06476	10.7
134.07214	4.3
135.04390	9.5
135.08026	6.9
136.05183	6.7
137.05948	16.6
139.03862	5.7
143.04901	3.0
145.06483	5.4
145.09978	2.1
146.07240	15.9
148.05133	3.6
149.05974	14.2
150.06761	15.8
151.03882	9.1
151.07529	50.6
153.07002	5.7
155.08495	2.9
157.06500	3.1
158.07240	3.9
159.04448	2.6
161.05989	5.0
162.06734	3.4
163.07507	16.4
165.05583	3.2
165.07059	10.9
165.09090	100.0
166.07776	6.8
167.08537	7.3
171.07930	2.6
174.06732	5.6
175.07487	2.9
177.05540	4.4
177.09108	25.6
178.07741	3.3
179.08562	5.3
181.04936	4.4
181.06427	5.0
181.10043	5.0
183.08020	16.8
184.08755	3.3
187.07558	2.3
189.09114	11.5
194.07196	9.6
195.08026	23.2
196.08759	6.6
197.05956	2.6
197.09627	3.6
199.11081	2.7
201.09041	6.9
203.10661	3.2
205.04927	10.8
207.08035	2.7
208.08821	3.1
209.09575	19.6
210.10347	18.1
211.07545	20.4
211.10890	2.2
212.08330	10.9
215.10719	4.1
217.04953	4.5
223.07487	8.4
224.08215	3.8
225.09062	6.6
226.09825	17.9
227.10637	14.1
237.09105	7.8
238.09857	10.9
239.06941	8.8
239.10658	4.2
240.07814	3.2
241.04895	3.0
241.08534	4.4
241.12227	31.1
242.12804	2.6
243.10123	6.2
245.04384	2.4
247.06070	4.1
251.10619	3.3
253.08516	3.5
254.09424	11.4
255.10124	49.3
258.05081	4.0
269.11652	21.0
270.12476	60.4
271.09619	16.7
271.12643	4.8
273.14868	4.0
283.16965	2.1
286.04727	5.6
286.11938	24.6
301.03519	5.0
301.06998	18.7
301.10934	3.7
301.14252	45.2
301.17670	4.4
301.21634	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	301.1432
Annotation	Callosumin
Peak:m/z	Relative Intensity
52.15231	1.4
53.03934	3.2
54.75815	1.5
55.01868	4.2
55.05487	5.2
57.07053	2.0
65.03933	5.1
67.05493	11.6
68.74519	1.9
69.03420	2.9
69.07061	8.4
70.06566	2.8
71.04968	7.1
71.13287	2.4
71.13607	3.2
79.05487	9.8
81.03397	6.2
81.07037	18.8
83.04966	5.0
83.08609	2.0
85.02874	2.9
85.06522	5.0
91.05474	29.1
93.07029	14.5
95.04963	8.4
95.08604	14.3
95.34037	1.6
97.06516	6.4
97.10130	3.9
103.05441	9.9
105.07018	21.8
107.04955	13.1
107.08578	8.3
108.05713	2.6
109.06514	9.5
109.10145	10.8
111.04382	3.4
111.11729	2.3
113.05986	7.5
115.05459	4.7
117.07001	6.6
119.04913	17.7
119.08586	7.1
120.05686	1.9
121.02890	2.0
121.06496	34.9
121.10075	3.6
123.04403	4.3
123.08017	2.6
123.11720	3.4
125.05988	14.2
129.06985	2.2
131.04903	9.8
131.08577	4.5
133.06468	6.3
133.10069	4.6
134.03598	2.3
134.07253	3.4
135.04399	8.6
135.08049	13.3
135.11642	3.6
136.05177	5.2
137.05960	19.1
137.09602	3.7
138.06775	2.0
139.03847	5.3
139.07503	3.7
141.06961	3.0
142.07738	2.1
143.04907	2.1
143.08588	3.5
145.06451	8.3
145.10092	4.0
146.07231	13.5
147.04379	2.9
147.08018	3.4
147.11633	1.8
148.05156	3.0
149.05959	16.1
149.09619	2.9
149.13248	2.3
150.06715	16.2
151.03886	5.8
151.07529	55.3
152.06213	5.4
153.07004	10.8
154.07799	2.3
155.08514	3.9
157.06500	3.5
157.10162	3.1
158.07169	2.8
159.08028	3.4
159.11653	4.3
160.02892	2.0
161.05974	2.9
161.09651	3.6
162.06717	2.6
163.03894	4.4
163.07536	19.2
163.14792	1.8
165.05505	3.0
165.06961	18.8
165.09096	100.0
166.07709	6.6
166.09338	2.2
167.07196	1.9
167.08466	8.4
168.05690	4.6
169.06436	8.7
171.04358	2.4
171.08015	3.2
171.11780	2.3
173.13274	3.4
174.06697	5.8
175.07526	6.1
176.08386	1.9
177.05431	5.6
177.06854	3.9
177.07487	2.2
177.09096	29.2
178.07753	4.6
179.08539	4.5
180.05740	2.3
181.06454	11.7
181.10040	4.1
182.07195	5.8
183.08060	15.9
184.08731	4.6
185.06143	1.8
185.09560	1.9
185.13422	2.3
187.07520	4.2
188.08282	2.5
189.09047	14.1
190.09691	2.5
191.17653	2.0
193.06377	2.9
194.07234	6.1
195.08028	26.6
196.05231	3.9
196.08743	6.3
197.05922	5.7
197.09584	3.4
198.06824	9.5
199.07492	3.5
199.11174	3.8
201.09065	5.8
203.10599	2.8
205.06519	2.0
205.08554	2.4
209.06018	4.3
209.09589	20.1
210.06793	3.3
210.10387	12.9
211.07524	21.0
212.08293	13.7
213.09108	8.4
215.07161	1.9
215.10692	4.8
223.07565	10.0
224.08260	3.0
225.05370	2.1
225.09129	7.9
226.06331	9.5
226.09874	15.7
227.06996	3.5
227.10670	15.7
231.10170	3.0
237.09070	3.9
238.09796	8.5
239.06953	6.6
239.10663	7.7
240.07591	4.2
241.08591	11.6
241.12230	34.0
241.19525	2.1
243.10255	3.4
247.24054	2.0
253.08507	3.9
254.09341	17.2
255.10136	57.4
258.05310	2.7
258.08630	3.2
269.08032	6.1
269.11667	20.5
270.12473	73.3
271.09619	16.4
271.12668	3.4
273.11331	2.6
273.14594	3.1
283.13263	2.5
286.04831	2.7
286.11899	25.8
301.07010	16.2
301.10614	36.3
301.14276	49.7
301.18076	2.3
301.21442	11.9
302.11197	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.0
55.01851	5.1
55.05495	10.4
57.03409	1.9
57.07049	5.8
59.04980	1.8
65.03922	6.5
67.05497	18.7
69.03411	3.9
69.07058	15.6
70.06595	3.5
71.04977	7.1
71.08588	5.4
72.86661	1.5
75.04462	2.2
78.04689	1.9
79.05480	12.6
81.03389	3.8
81.07045	31.1
83.04958	12.3
83.08587	6.9
85.02882	4.5
85.06539	12.4
91.05469	41.4
93.07038	14.9
94.04168	1.7
95.04948	10.8
95.08593	28.3
96.18452	1.6
97.06506	6.9
97.10141	7.2
103.05453	9.7
105.03381	1.8
105.07018	21.9
107.04936	15.1
107.08590	13.2
108.05723	2.5
109.02855	2.3
109.06496	12.6
109.10143	20.7
111.04443	1.9
111.08057	2.0
111.11713	2.8
112.07614	1.8
113.06003	9.2
115.05431	5.5
117.06992	4.2
119.04919	21.9
119.08578	9.3
120.05709	3.4
121.06493	36.2
121.10122	7.7
122.07269	2.1
123.04409	4.4
123.08049	2.9
123.11681	9.2
125.05991	14.5
125.09601	2.7
128.06140	2.4
129.06992	3.0
131.04906	11.6
131.08511	4.9
132.05641	2.3
133.06477	7.2
133.10071	5.4
134.03644	3.2
134.07248	7.8
135.04396	6.4
135.08032	7.0
135.11655	5.1
136.05147	5.2
137.05972	26.7
137.13245	4.6
139.03856	7.2
139.07495	4.3
141.06926	4.9
143.04895	2.3
143.08505	5.5
145.06413	7.9
145.10100	6.4
146.07227	16.3
147.04405	2.5
147.08023	2.4
147.11740	2.0
149.05966	24.0
149.09599	3.6
149.13243	3.1
150.06760	17.9
151.03915	8.0
151.07518	52.9
151.11131	2.1
152.06178	7.4
153.06958	16.7
153.09016	2.3
154.07733	2.0
155.08492	5.1
157.06479	6.5
157.10138	3.2
158.07173	2.3
159.04355	2.4
159.08002	3.9
159.11668	5.9
161.05972	4.4
161.09576	2.8
162.06639	3.1
163.03882	4.1
163.07542	17.0
165.05545	3.7
165.06987	23.9
165.09084	100.0
166.07719	9.0
166.09248	3.1
167.08505	9.3
168.05667	4.0
169.06459	6.3
170.07179	3.9
171.08003	4.4
171.11668	2.7
173.05951	3.2
173.09665	2.1
173.13231	3.4
174.06688	6.3
175.07608	4.1
175.11035	2.3
175.14841	1.8
176.06339	2.1
177.05602	13.3
177.06987	4.7
177.09074	28.2
178.07721	4.7
178.09738	1.6
179.08559	6.2
180.05704	2.1
181.06429	25.4
181.10078	3.6
182.07195	7.0
183.08046	24.4
184.08691	2.4
185.05975	2.0
185.13213	2.0
187.07507	4.4
188.08301	2.7
189.09071	16.0
193.06557	5.1
194.07220	9.3
195.08023	33.0
196.05177	3.7
196.08812	6.1
197.05867	7.3
197.09564	4.3
198.06757	10.8
199.07483	2.7
199.11122	3.8
199.14679	2.1
201.09065	5.0
201.12730	2.0
203.14186	3.1
209.05864	4.8
209.09592	20.1
210.06824	3.5
210.10341	17.6
211.07527	22.6
212.08252	11.0
213.09012	8.0
215.07028	2.9
215.10599	4.7
223.07477	15.0
224.08235	4.9
225.05380	2.1
225.09033	11.9
226.06244	10.1
226.09814	12.1
227.06978	4.9
227.10593	15.9
228.07726	2.2
235.85866	1.8
237.09041	8.5
238.09837	9.4
239.06969	10.9
239.10675	8.7
240.07787	4.2
240.11334	2.1
241.08644	12.1
241.12190	36.8
242.09146	1.8
242.12840	2.1
243.06454	4.0
243.10164	3.9
245.23686	1.9
247.23967	2.6
251.10660	2.6
253.08609	3.2
254.09393	14.9
255.10095	54.6
255.20889	2.1
256.10455	2.3
257.08231	2.2
258.05350	2.2
265.25183	2.0
269.08063	5.5
269.11642	21.3
270.12476	72.9
271.06750	2.3
271.09634	16.5
271.12665	3.6
272.10229	2.8
273.07651	2.1
273.14801	3.6
283.13531	2.9
283.20480	4.5
283.26178	3.9
286.04974	1.9
286.08630	3.7
286.11969	33.3
301.03424	3.6
301.07001	12.8
301.10638	64.4
301.14294	44.9
301.21536	22.5
302.03973	2.0
302.11194	5.6
302.14572	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	301.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12069	5.0
54.39309	4.4
55.01865	44.2
55.05504	53.5
57.03432	70.1
57.07056	5.7
62.03323	4.5
62.37791	4.3
67.05493	61.1
69.03417	8.8
69.07073	24.3
69.77125	29.9
71.04967	4.7
73.02908	20.8
75.14442	4.4
79.05489	52.1
81.03404	17.7
81.07037	42.7
82.04217	5.7
83.04979	20.8
83.08610	12.8
86.56360	4.3
87.07641	5.0
91.05473	47.2
93.07041	40.2
95.04935	14.7
95.08614	32.2
96.13834	4.9
97.06522	14.5
97.10167	32.3
98.07291	8.1
98.21422	5.2
99.04463	5.6
105.07008	21.2
106.24613	4.6
107.04978	6.9
107.08601	27.7
109.06508	7.1
109.10143	29.5
111.04433	7.0
111.08064	7.6
116.04700	53.6
119.08595	24.7
121.06538	7.8
121.10121	15.6
123.08096	11.5
125.09620	32.0
129.05479	100.0
131.08566	17.6
133.10094	13.9
135.08134	6.5
135.11682	15.8
143.07033	20.3
143.08510	6.5
145.10114	13.1
147.11676	5.5
149.09572	5.7
151.03868	6.5
151.07497	6.8
155.72609	4.8
157.08583	45.6
157.09898	8.4
161.09567	5.5
163.11162	11.8
165.09096	8.9
171.10193	14.8
173.09622	5.4
177.05490	12.0
185.11731	7.8
189.11229	31.9
191.10625	4.7
191.14319	8.5
193.12283	8.4
199.13446	5.2
200.14024	11.7
209.11783	9.0
227.12796	12.9
241.05106	5.9
258.05310	10.2
286.04596	15.9
301.03607	8.5
301.07028	55.7
301.10434	9.1
301.16495	63.5
301.21588	16.8
302.07468	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	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	44.7
55.05296	3.7
55.05512	34.8
57.03432	53.6
57.07070	4.0
60.02146	3.6
63.40853	3.1
67.05499	34.6
69.03421	9.1
69.07059	15.3
69.31741	33.1
71.04985	3.3
73.02911	17.1
78.11720	3.0
79.05490	39.0
81.03426	8.8
81.07050	27.7
82.04197	6.6
83.04988	17.5
83.08602	11.5
91.05479	27.2
93.07021	26.1
95.04987	17.5
95.05475	3.4
95.08604	15.4
96.37173	2.9
97.02840	3.2
97.06535	14.1
97.10138	23.0
98.07318	13.3
105.07032	15.1
107.04948	7.7
107.08577	18.5
109.06550	3.4
109.10172	7.8
111.08086	6.0
116.04706	48.4
117.07002	8.1
119.08582	14.0
121.06481	6.8
121.10146	10.9
123.08051	7.6
125.09605	20.2
129.05473	100.0
129.06940	5.2
131.08603	4.1
133.10124	11.6
135.07997	4.4
135.11685	5.1
143.07077	18.0
143.08646	3.5
145.10114	6.2
147.11693	9.3
149.05952	5.7
149.09666	7.2
151.07545	5.4
157.08611	46.4
157.10081	6.9
171.10178	13.2
175.11148	7.2
177.05458	8.7
185.11697	6.2
189.11189	25.6
193.12146	3.6
199.13269	12.4
199.14975	3.6
200.14093	10.9
202.55179	3.6
217.08533	3.6
227.12810	11.4
286.04703	7.6
301.03766	6.4
301.07068	27.5
301.16486	45.1
301.21634	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	301.1794
Annotation	2-Methoxyestrone
Peak:m/z	Relative Intensity
53.03947	2.6
55.01853	1.7
55.05502	9.6
57.03428	4.7
57.07066	1.6
57.52889	1.1
67.05502	18.0
69.07066	17.7
70.66367	3.6
71.04972	1.9
79.05487	9.2
81.03403	1.4
81.07053	12.6
83.04988	2.0
83.08613	4.2
85.02908	1.8
91.05469	14.3
93.07037	12.3
95.04975	4.4
95.08601	9.6
97.02870	1.3
97.06562	1.7
97.10143	3.2
103.05464	4.3
103.81506	1.1
105.07045	6.1
107.04955	3.2
107.08586	6.8
109.06501	1.3
109.10159	16.4
111.04430	1.5
111.11723	7.9
115.05389	1.2
117.07018	3.1
119.04906	3.0
119.08582	3.1
121.06494	33.9
121.10127	12.4
123.08067	10.6
123.11674	8.9
125.09621	2.3
129.06987	2.3
130.07860	1.4
131.04935	2.4
131.08586	2.5
133.06494	2.2
133.10078	1.5
134.03641	1.1
135.08029	7.9
135.11714	5.9
137.05913	1.7
137.98494	1.4
143.08583	2.5
145.06439	2.6
145.10080	2.8
147.04430	3.4
147.08037	2.5
149.05966	42.3
149.09572	2.3
151.07532	35.8
154.08253	1.2
155.08617	1.2
158.07141	1.2
159.07994	7.6
161.06082	1.5
161.09624	4.1
163.07503	10.3
163.11188	3.3
165.05504	1.1
165.09140	3.6
167.07030	3.8
171.08069	2.1
171.11717	1.6
173.09595	6.9
174.06915	1.2
175.07545	6.8
175.11169	1.5
177.05457	100.0
177.08945	8.6
178.05840	1.3
179.07086	8.8
182.47665	1.1
185.09645	4.0
187.07576	3.2
188.92435	1.3
189.09122	6.5
191.07025	12.9
191.10660	5.7
193.08681	1.8
199.07634	1.8
199.11220	3.3
201.09148	3.1
203.07083	6.5
203.10661	6.5
205.08568	10.6
205.22093	1.1
209.11665	1.6
213.09097	2.4
213.12956	1.7
217.08636	5.5
217.12294	3.5
219.10228	4.8
227.10744	1.9
227.12720	1.5
231.10129	11.4
241.04955	1.4
245.11684	2.1
245.13873	2.7
255.10266	1.4
255.17488	4.2
269.04333	1.3
269.15378	1.3
273.18472	33.0
286.04840	3.4
301.07004	8.5
301.18011	82.6
302.18314	3.4
319.19028	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2158
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05511	14.2
57.03422	3.8
57.07063	8.0
62.06076	35.6
63.06408	5.5
67.05499	23.6
69.07054	11.1
70.70107	5.8
70.70441	6.1
79.05465	14.0
81.07044	23.4
83.08598	6.7
91.05489	16.7
93.07038	30.6
95.04973	5.2
95.08599	100.0
97.10157	7.6
105.07032	22.6
107.08576	25.7
109.06431	3.1
109.10152	20.2
111.04380	6.5
117.07021	6.4
119.08566	26.8
121.06459	4.6
121.10123	22.3
123.11665	8.5
125.05985	5.1
131.08539	9.2
133.10123	20.8
135.11693	16.2
137.05940	8.5
142.09702	3.0
143.08521	8.5
144.09146	3.1
145.06528	2.7
145.10100	11.2
147.11684	9.8
149.13239	6.3
151.07494	4.5
156.09384	2.9
157.10132	8.0
159.11629	14.3
161.09627	3.1
161.13246	7.9
163.14806	3.2
165.09036	3.8
169.10165	3.2
171.11673	8.9
173.09616	3.6
173.13257	4.5
175.14806	3.0
177.05420	2.8
179.10706	5.8
185.13231	8.6
186.93706	3.0
187.11218	5.0
191.10696	3.5
199.11235	3.4
199.14830	3.8
201.12726	4.9
201.16362	5.0
203.10547	4.1
203.17961	6.1
205.12305	6.8
213.12805	2.7
217.12245	4.7
231.13898	5.8
241.19485	4.2
245.15289	4.0
245.49460	3.0
255.21017	6.0
258.05096	3.4
283.20535	8.9
284.26617	5.4
286.04715	4.1
301.03683	5.0
301.07065	12.6
301.18051	2.7
301.21588	67.5
301.29117	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14886	2.4
53.03933	6.5
55.01868	4.2
55.05505	30.5
57.07070	16.4
59.04953	2.4
65.03918	3.2
65.21457	2.6
66.28410	2.3
67.05504	37.2
69.03409	8.1
69.06734	3.2
69.07066	43.2
69.52296	19.8
69.57555	2.5
70.06563	8.0
71.04972	5.9
71.08608	5.3
79.05487	20.2
81.03397	6.1
81.07056	97.4
83.04986	3.1
83.08612	19.7
85.02887	3.8
85.06547	24.0
91.05029	2.6
91.05477	24.1
93.07034	39.5
95.04931	10.3
95.08601	86.0
97.02900	4.3
97.06516	5.9
97.10165	15.3
99.08055	6.5
105.07025	14.0
107.04920	9.6
107.08594	29.3
109.02876	2.8
109.06508	7.8
109.10150	50.7
111.04430	3.2
111.08086	4.2
111.11725	12.6
112.07580	4.5
113.09636	7.7
119.04908	9.3
119.08556	6.4
121.06481	13.9
121.10159	20.4
123.04403	5.7
123.11699	29.8
125.13302	4.5
129.06912	3.5
131.04903	4.3
131.08517	6.7
133.10083	4.7
134.03615	3.4
135.04366	6.7
135.11658	19.5
137.02339	3.8
137.05971	16.4
137.13278	16.6
139.03896	16.0
139.07483	11.6
141.06963	4.1
142.07671	3.7
145.06554	2.5
145.10089	7.9
146.28957	2.7
147.11635	6.5
149.05998	19.7
149.13243	19.1
151.03903	15.8
151.07436	3.8
151.14789	7.7
152.06171	12.2
153.06987	20.2
153.12703	3.3
155.08578	5.0
157.06508	4.4
157.09995	3.3
159.11650	6.5
163.03879	4.9
163.14726	10.5
165.05496	4.5
165.06947	14.5
165.09166	3.9
165.16383	6.7
167.08565	6.3
168.05659	5.3
169.06386	7.8
170.07204	6.4
171.11537	3.3
173.13261	3.9
177.05489	24.4
177.16318	8.9
181.06471	26.8
182.07167	7.5
183.04353	6.7
183.08008	5.6
185.13301	3.2
187.07478	6.8
191.03349	7.4
191.17882	7.8
194.07141	3.5
195.07999	7.7
196.05162	3.5
197.05904	13.6
198.06715	16.3
198.14845	3.5
199.07498	5.6
205.19548	3.9
208.05183	6.0
209.05923	8.9
210.06715	3.9
211.07466	7.6
213.09103	14.1
215.07037	5.5
223.07472	7.9
225.05342	4.5
226.06218	17.4
227.06929	5.0
241.08635	17.3
243.06366	5.7
247.24191	18.9
258.05042	3.3
258.08682	3.7
265.25061	10.2
269.07898	8.7
270.08737	4.4
273.04053	4.5
273.07455	4.4
273.11145	2.9
283.10492	5.5
283.20477	4.9
283.26208	9.5
286.08008	5.6
301.03458	5.6
301.06964	14.8
301.10626	100.0
301.18314	3.9
301.21530	19.1
301.24799	5.3
302.07724	4.3
302.11005	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01870	2.2
55.05506	30.1
57.03426	2.1
57.07072	11.7
65.03949	2.9
66.37783	1.4
67.05502	48.8
69.03422	3.3
69.07066	44.4
71.04974	4.1
71.08625	4.0
71.36734	2.8
71.37064	1.7
79.05493	15.1
80.40126	1.5
81.03417	3.3
81.07050	95.1
83.04977	2.3
83.08611	24.1
85.02946	1.6
85.06532	10.0
91.05479	12.1
92.02679	1.7
93.06479	3.1
93.07037	34.2
95.04951	4.9
95.08601	100.0
96.08940	2.0
97.02917	2.2
97.06516	3.9
97.10152	16.1
99.08080	4.6
103.05487	1.8
105.06992	4.6
107.04946	4.9
107.08581	24.7
109.10147	53.1
111.08128	2.0
111.11690	8.1
113.09613	2.2
115.05537	1.7
119.04918	3.1
119.08530	3.0
121.02819	2.1
121.06500	9.2
121.10149	18.2
123.04443	2.1
123.11700	21.4
125.09622	2.9
131.04872	1.6
133.10120	2.6
135.04459	3.0
135.11665	16.5
137.05962	3.4
137.13251	12.0
139.03894	5.1
139.07558	4.6
139.11206	2.3
141.06934	2.1
143.08434	1.4
145.10100	2.0
147.11687	2.1
149.05956	4.7
149.13226	15.8
151.03902	6.1
151.07481	3.5
151.14845	6.2
152.06216	2.3
153.01811	6.1
153.07039	7.2
157.10098	2.0
159.11652	1.9
163.14792	10.1
165.06993	5.3
165.16382	3.6
167.08586	1.9
169.06511	2.7
177.05463	5.8
177.16380	5.8
180.05659	1.9
181.06456	10.4
182.07300	1.5
183.07991	2.0
187.07533	1.9
189.05582	1.5
191.17963	6.1
195.07990	3.5
197.05965	4.4
198.06683	6.7
209.06053	2.1
213.09113	4.1
217.04887	2.4
223.07401	2.2
226.06233	5.6
227.06949	1.9
227.17911	1.7
239.06905	1.8
241.04831	1.9
241.08595	6.1
245.04361	2.8
247.24188	14.4
251.06885	1.9
265.25262	10.6
269.08206	2.3
283.26181	7.0
286.04648	1.5
301.03723	2.8
301.07053	12.2
301.10696	31.8
301.21564	6.4
302.04214	8.2
302.11060	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	302.087
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
50.42595	0.5
56.05019	0.7
56.96562	4.8
57.03416	1.4
61.02914	2.4
65.18198	0.5
67.05485	0.7
69.03073	0.6
69.03422	5.3
69.07036	0.5
70.05834	1.6
70.06586	3.3
71.04972	0.7
71.82542	0.5
72.08118	0.5
73.02892	1.3
74.76672	0.4
77.69643	0.5
78.03436	1.1
81.03430	2.5
84.08170	0.6
84.96017	0.7
85.02892	10.1
86.34663	0.6
87.04442	1.0
91.03951	0.8
91.05474	0.8
94.02883	0.4
95.04978	0.5
95.08606	0.6
97.02883	5.0
98.97571	10.0
99.04448	1.1
107.04906	0.7
109.02861	2.0
110.07177	0.6
110.97527	1.0
112.07585	2.8
116.07060	0.9
116.98600	7.5
119.04941	0.9
122.02388	0.8
122.05994	2.2
122.06824	0.5
124.07549	0.7
126.49094	0.5
127.03892	1.8
128.98576	1.1
134.06006	1.6
134.99615	4.2
137.05913	2.2
140.03407	100.0
140.07004	3.3
141.03775	1.1
141.05412	0.8
145.04951	1.5
146.99603	1.5
147.04399	1.3
149.01221	0.7
152.07066	2.8
153.00703	0.7
156.03326	1.2
158.99657	3.3
164.07021	0.5
170.99640	0.5
174.04373	1.5
176.05254	0.8
177.00691	4.9
179.02266	0.5
186.04407	2.5
186.05795	0.6
190.04947	0.6
192.05359	0.7
195.01738	0.6
197.01221	0.6
204.05446	3.4
217.05328	0.9
219.01753	2.1
237.02835	2.7
273.08987	0.8
284.04407	0.8
284.11285	0.6
297.06525	1.1
302.09506	0.9
302.12155	2.0
303.04892	1.1
321.08444	0.9
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
50.52298	3.8
55.01864	7.5
57.03435	5.9
60.82879	4.3
61.02898	7.1
67.05486	6.7
67.86275	4.2
68.48913	4.6
69.03411	17.2
70.06583	100.0
70.65721	9.8
71.04955	6.2
72.08131	10.3
79.05470	6.4
79.40057	6.4
81.03394	12.2
81.07035	9.8
85.02892	92.5
85.15523	4.0
89.00610	4.2
91.05459	16.7
92.05836	4.5
93.00256	4.3
94.07315	4.0
95.04953	7.3
97.02866	31.4
99.04448	6.1
103.03861	6.3
103.05478	10.8
107.04943	11.4
108.08094	15.2
109.02853	20.0
112.07594	70.0
119.04915	5.8
119.08539	4.9
121.02877	5.9
121.06441	7.5
122.05999	10.8
123.04403	8.3
125.05969	6.4
126.05508	7.8
127.03929	24.7
131.04973	9.6
132.05246	8.4
136.07574	12.3
137.02274	11.1
137.05937	20.3
138.06252	5.5
139.03880	12.5
140.04198	9.2
140.07063	71.3
145.04936	11.8
147.04257	6.6
148.04704	5.2
149.05980	7.0
151.03841	14.6
151.07599	8.2
152.07025	19.2
153.01802	7.9
153.05399	9.2
153.06915	9.5
153.83415	4.3
154.08653	5.4
155.08508	5.6
158.08102	7.2
161.06000	12.7
162.06429	18.5
163.03983	6.4
163.07104	10.2
164.02472	9.0
164.07057	20.4
165.06958	10.9
177.05502	6.1
178.08575	15.7
179.01109	6.7
181.06424	8.3
182.08139	79.6
183.08043	15.8
194.03413	10.2
196.05049	7.3
198.06572	5.9
206.08150	30.5
207.04187	4.6
211.07524	20.8
226.06306	6.5
229.04956	9.0
233.04205	5.0
236.09140	6.2
237.05421	8.1
239.06992	6.2
241.08578	7.7
243.10197	7.9
248.09206	9.6
257.04425	8.3
269.07861	5.5
271.09570	15.4
302.07477	14.4
302.11404	64.2
303.04947	98.0
303.08340	9.6
303.12268	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	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86866	1.4
55.01870	2.6
57.03424	2.8
61.02903	2.8
62.88420	1.3
65.03923	2.5
65.88895	1.6
67.05504	39.7
69.03423	18.0
69.07059	9.6
70.06577	3.3
71.27273	2.4
71.27623	2.5
81.03397	6.3
85.02901	44.2
86.02428	2.0
95.04964	59.0
97.02298	2.7
97.02887	39.4
99.93981	1.5
103.03912	4.4
109.02869	8.2
110.05930	1.5
112.06835	2.3
112.07600	35.5
113.06009	6.5
115.71672	1.5
123.04433	2.7
124.07577	2.0
127.03932	7.3
136.07547	1.7
140.07053	100.0
141.07422	2.8
145.04938	1.8
151.03896	1.8
154.08600	5.1
178.08694	2.6
182.08118	68.2
192.51927	1.6
206.08147	13.1
209.79242	1.5
218.07965	1.9
236.09233	1.6
248.09200	8.7
298.19162	1.5
302.11890	2.1
306.62885	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.0
53.03939	0.1
55.01866	0.4
55.33200	0.0
57.03418	0.1
58.40374	0.0
61.02930	0.1
63.02357	0.0
65.03928	0.7
67.01854	0.5
67.05489	0.3
68.99777	2.7
69.03416	0.5
70.06585	0.2
70.77647	0.1
71.01345	0.1
71.04990	0.0
73.02909	0.0
77.03925	0.1
79.01849	0.0
79.05475	0.1
81.03400	0.9
81.07069	0.0
83.01328	0.0
85.02890	1.3
91.01822	0.1
91.03927	0.1
91.05462	0.2
92.02560	0.1
93.03390	0.8
95.01315	0.1
95.04954	1.0
97.02872	0.4
99.04427	0.1
103.05436	0.2
105.03375	0.3
105.07020	0.3
107.01316	0.1
107.04918	0.2
109.02856	1.4
110.03653	0.2
111.00779	2.4
111.04420	0.1
112.07588	0.1
115.05424	0.2
115.79662	0.0
117.03437	0.0
117.06997	0.4
119.04927	0.1
121.02844	2.6
121.06450	0.0
123.00811	0.0
123.04410	0.7
124.01534	0.0
125.02317	0.1
126.03103	0.1
127.03899	0.9
127.05389	0.1
128.06152	0.2
129.01799	0.0
129.06927	0.2
131.04892	0.6
133.02827	0.2
133.06470	0.2
135.04384	0.6
136.01611	0.0
137.02319	9.1
137.03371	0.6
137.05811	0.1
138.03134	0.0
139.03876	0.1
139.05418	0.1
140.07060	0.1
143.04855	0.1
145.02852	0.3
145.04939	0.4
145.06468	1.0
147.04372	0.1
147.07959	0.0
149.02316	1.0
149.05966	0.1
150.03113	0.1
151.03934	0.2
153.01797	12.5
155.04887	1.2
155.06030	0.2
157.06470	0.2
158.07959	0.0
159.04359	0.3
160.05194	0.1
161.02281	0.1
161.05957	0.9
163.03876	1.5
163.06036	0.1
163.07501	0.1
165.01807	4.6
166.02602	0.6
166.04007	0.0
167.03387	0.1
167.04811	0.1
171.02879	0.2
171.04410	0.1
173.02359	0.1
173.05951	1.9
177.01855	0.2
177.05435	0.3
178.02652	0.0
179.03334	0.5
180.08835	0.0
183.02859	1.8
183.04407	1.3
184.05138	0.2
185.05956	0.1
187.03865	1.2
187.05504	0.1
188.04582	0.0
189.05450	0.1
190.02602	0.1
191.03366	0.4
191.06987	0.3
192.04092	0.1
193.01291	0.1
193.04932	0.1
194.02129	0.1
195.02878	0.6
200.04628	0.1
201.05431	5.3
203.03363	0.1
204.04135	0.1
205.01180	0.1
205.04903	0.5
207.02843	0.3
209.04443	0.1
211.03867	0.5
213.05501	0.3
215.03336	0.3
216.04112	0.0
217.04999	0.2
218.05576	0.1
219.02982	0.4
219.06487	0.6
221.04425	0.0
228.04137	0.9
229.04916	11.2
230.05608	0.0
231.02838	0.1
232.03716	0.2
233.04396	0.2
235.06058	0.0
239.03482	0.5
240.04199	0.0
241.04942	0.1
243.02805	0.1
245.04475	0.3
246.05200	0.2
247.05975	1.5
256.03656	0.1
257.04398	5.7
258.05258	0.1
261.03912	0.1
267.02853	0.1
273.03900	0.1
274.04672	1.8
275.05386	0.4
279.04443	0.0
285.03897	2.6
286.04663	0.1
301.03418	0.1
302.04080	0.4
302.11145	0.1
302.16724	0.0
303.04922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82662	0.5
56.96545	1.0
58.68847	0.5
67.74306	0.4
71.05630	1.0
73.89816	0.5
79.16863	0.4
96.36801	0.4
98.97561	1.8
101.00861	1.1
116.98595	2.2
119.01134	0.8
119.01912	9.0
120.02008	1.1
130.28096	0.4
134.99687	1.4
135.40034	0.4
137.02960	3.3
153.00830	0.6
158.99883	0.9
160.04492	0.5
164.99239	0.5
175.99588	0.6
177.00952	17.9
178.01060	4.4
179.00664	3.3
180.00793	0.8
192.01094	0.6
194.98637	0.5
201.00896	1.5
202.01047	0.6
203.00687	0.5
210.99942	0.5
217.04094	2.6
218.03770	2.3
219.01999	28.2
220.02069	8.0
221.01796	9.4
222.01848	1.8
225.00780	2.2
226.01141	0.5
234.99806	0.7
236.99442	0.6
243.01892	7.6
244.01942	2.7
245.01640	0.6
259.00391	0.6
261.03030	100.0
262.03165	33.2
263.02872	5.1
266.03531	0.6
277.00989	1.1
279.00772	1.9
280.00964	0.5
284.04611	4.5
284.99817	1.9
285.04901	2.4
286.04642	0.6
294.01129	0.5
301.01050	1.8
303.00824	3.5
303.05658	7.7
320.97937	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.19351	0.2
55.01870	0.3
55.94570	0.2
65.03931	0.5
67.01844	0.4
68.99786	2.0
69.03431	0.3
69.43311	1.6
75.67248	0.2
77.06992	0.2
81.03408	0.6
93.03385	0.4
95.04967	0.9
105.03363	0.2
107.04958	0.3
109.02870	1.4
111.00770	1.7
117.06982	0.3
120.34719	0.2
121.02849	2.3
123.04436	0.7
127.03904	0.2
128.17857	0.2
130.24881	0.2
131.04858	0.5
135.04425	0.4
137.02333	7.4
137.03357	0.3
139.69669	0.2
145.06471	0.7
149.02338	0.8
149.65726	0.2
153.01814	9.2
155.04897	1.1
161.05960	0.5
163.03870	1.2
165.01837	3.8
166.02599	0.5
166.40657	0.2
173.05956	1.3
177.01756	0.3
177.05406	0.3
179.03325	0.3
183.02846	1.4
183.04422	1.1
187.03925	0.9
191.03310	0.2
194.02254	0.2
195.02908	0.4
201.05453	4.5
205.04953	0.6
211.03850	0.3
219.06526	0.5
228.04071	0.5
229.04945	9.2
230.05348	0.4
237.35143	0.2
239.03378	0.5
247.06075	1.3
257.04434	5.0
258.05048	0.2
274.04678	1.4
275.05573	0.3
285.03937	2.2
303.04959	100.0
304.05310	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
62.27290	0.2
65.03922	0.4
67.01842	0.3
67.05460	0.2
68.99783	2.0
69.94675	0.9
76.61036	0.2
78.38254	0.3
81.03400	0.7
93.03384	0.6
95.04969	0.7
105.03372	0.4
109.02879	0.8
111.00799	1.6
114.15396	0.2
117.07008	0.3
121.02873	2.1
123.04406	0.7
127.03883	0.4
135.04373	0.4
137.02338	6.2
137.03409	0.4
145.06465	0.7
149.02319	0.7
153.00555	0.4
153.01814	9.1
154.02153	0.2
155.04895	1.0
157.06491	0.2
159.04402	0.3
160.47556	0.2
161.05946	0.5
163.03906	0.8
165.01813	4.0
166.02554	0.7
173.05959	1.2
175.76630	0.2
179.03325	0.4
183.02893	1.3
183.04385	0.7
187.03867	0.6
191.03362	0.3
201.05450	3.5
202.05794	0.2
205.04918	0.5
213.05391	0.3
217.05002	0.2
219.02931	0.3
219.06453	0.7
228.04247	0.4
229.04941	9.0
230.05328	0.3
239.03468	0.4
245.04572	0.3
247.05975	0.9
257.04407	4.7
258.04822	0.2
274.04709	1.3
275.05417	0.5
285.03928	2.1
303.04953	100.0
304.05246	4.3
304.10699	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13998	0.2
53.03922	0.2
53.87460	0.2
55.01855	0.3
65.03922	0.6
67.01857	0.5
67.05515	0.3
68.99780	2.2
69.03392	0.3
70.08121	0.5
71.95939	0.2
79.05461	0.2
81.03403	0.7
88.40069	0.2
93.03378	0.6
95.04947	0.7
98.20825	0.2
105.03410	0.2
107.04950	0.2
109.02887	1.1
111.00802	2.1
115.05407	0.2
117.07008	0.3
121.02869	2.6
123.04414	0.7
127.03927	0.5
131.04912	0.5
133.02748	0.2
135.04410	0.5
137.02335	7.5
137.03375	0.3
145.02913	0.3
145.06462	0.8
147.02531	0.2
149.02333	0.9
153.01814	9.9
155.04968	0.9
157.06380	0.2
161.05925	0.7
163.03934	1.4
165.01836	4.4
166.02625	0.6
173.06027	1.3
177.01736	0.2
177.05455	0.4
179.03290	0.3
183.02867	1.3
183.04413	1.0
184.05263	0.2
187.03903	0.9
191.03429	0.4
191.07016	0.3
195.02847	0.6
201.05476	4.7
205.04967	0.4
211.03886	0.3
213.05446	0.2
219.02901	0.2
219.06549	0.7
228.04138	0.5
229.04950	9.3
230.05309	0.3
239.03484	0.3
245.04521	0.2
247.06038	1.4
257.04425	5.3
274.04691	1.4
275.05389	0.4
280.45920	0.2
285.03949	2.6
300.08557	0.2
303.04959	100.0
304.05322	3.4
308.81839	0.2
321.32404	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01867	0.3
61.40924	0.2
62.27153	0.2
65.03922	0.3
67.01853	0.5
67.05497	0.3
68.99438	0.2
68.99785	3.1
69.03416	0.2
69.88910	0.2
70.66258	0.3
74.90574	0.2
81.03399	0.8
91.05482	0.2
93.03393	0.6
95.04955	0.7
105.03395	0.2
107.04953	0.3
109.02873	1.4
110.03638	0.2
111.00784	2.1
115.05470	0.3
117.07042	0.3
121.02856	2.1
123.04435	0.7
127.03890	0.4
131.04909	0.4
133.02765	0.2
135.04398	0.6
137.02332	7.5
137.03355	0.4
145.02779	0.3
145.06474	0.7
149.02313	0.7
153.01813	11.2
154.02115	0.3
155.04916	1.2
157.06470	0.2
159.04446	0.2
161.05968	0.8
163.03940	1.2
165.01814	4.3
166.02591	0.6
173.05948	1.5
177.01846	0.2
179.03400	0.6
183.02873	1.4
183.04411	1.0
187.03929	1.0
188.10194	0.2
191.03424	0.4
195.02826	0.3
201.05453	4.6
205.04968	0.5
211.03900	0.6
213.05511	0.3
219.02971	0.3
219.06551	0.5
228.04205	0.6
229.04944	9.8
230.05301	0.3
233.04495	0.3
239.03391	0.4
246.05244	0.2
247.06108	1.4
257.04425	5.1
258.04831	0.3
274.04752	1.2
275.05392	0.4
285.03918	2.1
303.04959	100.0
304.05341	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0494
Annotation	Quercetin
Peak:m/z	Relative Intensity
54.37484	0.2
55.01852	0.5
56.09323	0.2
59.74463	0.2
65.03918	0.7
67.01852	0.4
67.05505	0.3
68.99783	2.5
69.75520	1.2
69.75919	0.5
78.04842	0.2
81.03391	0.7
93.03386	0.6
95.04948	1.0
107.04916	0.3
109.02854	1.0
111.00790	1.8
117.07005	0.4
121.02863	2.4
123.04413	1.0
125.11373	0.2
127.03915	0.6
131.04893	0.7
135.04372	0.6
137.02330	8.5
137.03337	0.5
139.05418	0.2
145.06458	0.8
149.02272	1.2
153.01807	12.1
155.04929	1.2
159.04408	0.3
161.05972	0.7
163.03905	1.4
165.01823	4.2
166.02574	0.7
173.05952	1.9
179.03362	0.5
183.02875	1.8
183.04433	1.2
187.03920	1.3
190.74553	0.2
191.03395	0.2
195.02896	0.6
201.05457	5.2
205.04936	0.5
211.03864	0.5
213.05467	0.2
215.03381	0.3
219.02724	0.2
219.06493	0.5
228.04164	0.9
229.04944	10.4
230.05318	0.5
232.03584	0.3
239.03473	0.5
240.94080	0.2
247.05939	1.4
257.04413	5.4
258.04950	0.3
274.04709	1.7
275.05319	0.3
285.03918	2.1
303.04956	100.0
304.05267	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	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
55.01858	0.5
57.81575	0.1
60.74926	0.1
65.03939	0.9
67.01845	0.5
67.05476	0.5
68.99438	0.2
68.99784	2.9
69.03411	0.4
69.33084	0.1
70.68250	0.4
71.01333	0.2
75.38922	0.1
81.03400	0.9
81.07051	0.2
81.96820	0.1
84.42902	0.1
91.05482	0.3
93.03400	0.7
95.04966	1.0
97.02882	0.2
103.05404	0.2
104.15347	0.1
105.03382	0.3
105.07018	0.2
107.04945	0.4
107.08592	0.1
109.02866	1.3
111.00778	2.4
111.04401	0.2
111.65334	0.1
115.05431	0.4
117.07008	0.6
119.04909	0.2
121.02856	2.6
123.04421	1.0
123.33334	0.1
127.03941	0.8
128.06213	0.1
129.07005	0.2
131.04909	0.6
133.02832	0.2
133.06505	0.2
135.04417	0.6
137.02328	9.1
137.03391	0.5
137.05939	0.2
143.04913	0.2
145.02855	0.3
145.06445	0.7
145.48407	0.1
147.04366	0.2
149.02322	0.9
149.05960	0.2
151.03876	0.5
151.07536	0.2
153.01808	12.2
153.07019	0.2
154.02141	0.2
155.04895	1.5
155.06027	0.3
157.06485	0.3
159.04436	0.3
161.05937	0.8
163.03905	1.8
165.01817	4.3
165.05536	0.2
165.06914	0.1
166.02487	0.5
173.05977	1.8
177.01740	0.3
177.05438	0.4
179.03336	0.5
183.02858	1.9
183.04414	1.1
183.08015	0.2
185.05957	0.3
187.03860	1.3
191.03403	0.2
191.07112	0.2
195.02859	0.5
201.05443	5.6
202.05803	0.2
203.03371	0.2
205.04893	0.5
207.02870	0.3
211.03923	0.4
211.07509	0.2
213.05423	0.4
217.04872	0.2
219.02951	0.2
219.06439	0.7
228.04115	0.7
229.04941	11.5
230.05252	0.3
231.02690	0.2
233.04344	0.2
239.03429	0.4
243.02852	0.1
245.04512	0.3
246.05182	0.2
247.06033	1.8
257.04419	6.1
258.04907	0.3
267.02921	0.2
271.09802	0.2
274.04669	1.7
275.05429	0.5
285.03915	2.4
286.04535	0.2
303.04947	100.0
304.05301	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	303.1071
Annotation	Isotachioside
Peak:m/z	Relative Intensity
52.05726	1.4
53.03938	2.2
55.01855	2.4
55.05489	2.1
57.03411	2.2
61.02913	2.8
69.03419	12.2
69.07039	1.8
71.21282	2.4
73.02910	2.3
73.06538	5.5
79.05448	1.8
81.03394	6.5
85.02888	30.1
91.03916	2.4
91.05463	1.5
95.04938	2.4
95.08636	1.5
97.02888	10.7
97.06541	1.7
98.49570	1.5
99.04435	2.8
101.05999	3.6
107.04939	2.3
109.02872	7.1
109.06500	1.5
111.04396	2.1
121.02847	6.5
123.04421	5.4
127.03902	7.5
135.04390	2.2
137.05969	9.2
138.28726	1.3
139.03970	1.9
141.05447	100.0
145.01433	1.3
145.04941	5.5
147.04369	1.8
151.03896	5.6
151.07521	3.8
153.05444	15.0
163.03896	1.9
165.05478	9.4
167.06984	2.9
173.05960	1.8
177.05449	2.9
179.06949	4.0
183.06494	6.0
183.07953	2.0
193.66977	1.3
199.02841	1.4
207.06458	6.3
210.81897	1.5
211.07581	2.1
243.10333	1.5
267.08646	4.1
271.09521	2.1
303.05203	11.6
303.10852	2.3
303.14078	11.5
306.47357	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1219
Annotation	4'-Hydroxy-3,3'-dimethoxy-4,5-methylenedioxybibenzyl
Peak:m/z	Relative Intensity
52.04570	2.5
53.03925	3.5
55.01854	8.7
55.05485	10.4
57.03408	3.7
60.69852	2.8
65.03938	4.6
67.05483	10.6
68.99786	5.5
69.03410	11.7
69.07056	4.1
69.77581	2.6
70.06573	7.1
70.76500	2.5
71.04989	4.2
71.06920	3.3
71.52546	5.8
73.06536	3.7
79.05476	9.3
81.03388	9.2
81.07028	4.9
81.60973	2.6
83.04961	5.2
85.02885	6.9
91.05479	26.1
93.07045	4.7
94.04136	3.5
95.04953	15.5
95.08601	3.4
97.02854	8.9
99.04417	8.3
101.05988	8.7
103.05454	30.6
105.03374	3.7
105.07009	6.7
107.04916	10.6
109.02870	7.7
109.06439	3.4
111.04411	10.3
113.05986	3.8
113.07922	4.5
115.05416	7.9
117.07014	3.8
119.04932	18.5
120.67654	3.3
121.02820	5.1
121.06477	16.8
122.03591	4.5
123.04414	35.5
123.08044	3.0
124.07603	2.9
125.06001	3.7
127.03885	14.3
129.06996	5.6
131.04910	40.4
133.02849	3.4
134.03575	4.5
135.04366	4.7
135.08038	5.8
136.83257	2.8
137.02310	7.6
137.05011	4.8
137.05965	46.9
139.03844	14.3
141.05435	4.9
141.07074	7.7
141.10223	7.1
143.04887	6.2
145.06459	8.5
147.04414	20.5
149.05980	26.5
150.25188	3.5
151.03880	44.9
151.07523	48.6
152.06203	8.8
153.01762	4.1
153.05441	36.2
153.06961	31.8
153.08943	2.8
154.07578	3.1
155.07452	2.9
155.08521	21.9
157.06375	5.9
161.05978	9.1
163.03894	8.5
163.07524	21.0
165.05461	13.3
165.06964	84.6
167.07051	15.7
168.05692	25.2
169.06453	10.1
171.57475	2.9
173.06004	4.2
175.07425	6.0
176.08260	3.5
177.05505	6.2
177.09082	7.0
179.04868	6.8
179.07077	5.9
181.05081	4.6
181.06454	23.9
181.08517	8.0
182.07204	11.6
183.08040	80.5
184.05057	3.5
185.05997	14.0
187.07501	5.3
191.03333	4.3
193.04933	3.8
193.06454	13.0
195.04393	4.1
196.05165	20.3
197.05957	13.7
197.09621	5.4
198.06708	3.3
199.07462	14.5
200.08255	11.1
201.05443	4.7
201.08987	4.6
207.04422	19.9
210.06680	10.7
211.07504	84.9
212.08134	10.1
213.05405	13.9
213.08940	3.6
215.10658	11.7
221.05963	8.3
225.05589	3.6
225.09067	14.4
227.06969	14.5
228.07707	12.8
229.04897	6.8
239.07018	25.5
241.04913	5.0
242.09241	5.0
243.10139	60.0
245.08087	8.3
253.08589	7.3
255.06683	7.2
256.07135	9.9
257.04376	7.0
259.06000	3.5
271.06848	6.5
271.09619	100.0
272.10443	14.4
275.12616	4.4
285.12402	5.5
288.09930	41.0
303.04907	57.3
303.08566	20.4
303.11951	51.8
304.05228	4.1
304.12155	3.3
323.61157	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13234	0.5
50.20570	0.5
52.54155	0.4
53.03923	1.1
55.01855	2.1
55.05504	3.7
55.80931	0.5
57.03418	0.7
59.04995	0.8
60.04495	0.6
61.02913	1.0
65.03918	0.8
67.05502	2.3
68.05806	0.6
68.99770	0.8
69.03423	4.4
69.07045	2.0
69.79137	2.8
70.06567	1.7
71.04980	0.9
71.06907	0.5
71.08611	0.7
73.06544	9.7
78.04704	1.3
78.94714	0.5
79.05484	2.1
81.03406	2.6
81.07047	1.4
83.04987	1.0
85.02903	4.7
85.06523	0.7
91.05476	3.3
93.07021	2.2
95.04979	4.1
95.08578	1.3
96.05251	0.7
97.02893	3.5
97.06503	1.1
98.20805	0.8
99.04429	1.4
101.06012	9.1
103.05446	1.5
105.06995	1.6
106.04145	0.9
107.04942	2.8
109.02863	2.0
111.00839	0.5
111.01592	0.4
111.04417	1.1
112.07577	1.6
113.02411	0.6
113.07925	0.6
114.01101	0.4
114.09144	0.8
115.05441	0.7
119.04929	3.3
121.02874	0.8
121.06480	2.1
122.03634	0.8
123.04419	20.6
123.08018	0.9
124.05151	2.1
125.02279	0.6
127.03909	1.9
131.04887	1.4
133.06418	1.4
135.04373	1.7
135.08035	0.6
137.02350	2.7
137.03262	0.6
137.05972	8.9
138.09013	0.5
139.03885	7.5
139.07584	0.5
140.07072	1.3
141.05443	2.1
141.07323	1.6
142.08618	3.1
143.04898	1.1
145.06482	0.6
147.04405	7.2
149.05972	3.1
151.03883	24.8
151.07530	1.5
152.04614	2.0
153.01814	3.2
153.05470	2.3
153.06766	0.4
161.05952	2.0
163.03909	2.7
163.07596	0.6
165.01828	1.0
165.05469	4.3
165.06990	1.7
165.09131	0.6
166.06160	1.0
167.07025	100.0
168.07318	1.4
169.06364	0.5
169.22734	0.5
173.05927	1.5
175.03873	0.7
176.04608	0.5
177.05571	0.7
179.03403	0.7
179.07027	1.7
181.04927	2.0
181.06398	0.8
181.08580	2.8
183.08229	1.9
184.09669	2.7
191.03401	1.0
193.04910	2.3
193.08585	3.1
197.06004	0.9
201.05428	1.2
204.85062	0.6
207.06490	0.9
208.09709	0.7
209.08080	0.8
211.07565	1.4
211.09651	3.9
215.03271	0.7
217.08530	0.9
227.09122	0.8
229.04907	1.7
229.10591	0.9
243.10242	1.2
257.04465	1.7
271.09573	1.4
285.07513	2.3
285.12918	1.2
288.09985	0.7
303.04962	19.6
303.08612	12.2
303.14105	3.7
304.05322	1.4
304.08673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
54.45747	0.5
55.01860	1.4
55.05499	4.0
57.03434	1.2
57.07050	0.8
65.03922	1.8
67.01854	0.6
67.05499	7.0
68.99780	3.0
69.03409	1.5
69.07056	2.1
71.04971	1.4
71.52413	0.9
74.17378	0.5
75.04489	2.4
77.03910	0.4
79.05476	5.0
80.91854	0.5
81.03399	1.9
81.07043	9.1
83.04952	0.8
83.08607	1.5
85.06512	1.3
89.03890	0.6
91.05474	12.6
93.03403	0.9
93.07035	25.7
95.04957	6.3
95.08599	12.1
97.06512	1.9
97.10170	1.2
98.09695	0.7
99.04453	1.0
99.08055	0.9
103.05460	4.9
105.04523	0.8
105.07016	9.1
107.04939	2.1
107.08574	6.7
109.02892	2.7
109.06485	2.6
109.10142	5.5
111.00774	2.3
111.04494	0.5
111.08082	2.4
115.05443	2.0
117.03378	0.5
117.07007	4.2
119.04899	3.8
119.08572	6.4
121.02874	3.3
121.06493	8.9
121.07346	0.6
121.10127	12.8
123.04417	6.8
123.08028	3.5
123.11665	1.6
125.05989	0.7
125.09640	1.0
127.03874	0.8
128.06201	2.4
129.06978	1.8
131.04900	4.6
131.08546	3.8
132.72173	0.5
133.02873	0.9
133.06483	3.0
133.10123	4.0
135.04405	1.5
135.08026	2.0
135.11661	1.6
137.02333	8.8
137.03366	0.6
137.05962	14.8
137.09593	1.5
139.03889	1.8
139.11150	0.8
141.06967	2.1
141.09056	0.7
142.07806	0.9
143.04875	1.4
143.08548	4.3
144.09413	0.7
145.02870	0.7
145.06464	4.9
145.10097	4.4
147.04402	3.7
147.08020	2.2
147.11642	3.9
149.05966	34.1
149.09593	1.8
151.03896	7.9
151.07516	6.1
151.11124	0.7
153.01810	10.6
153.05418	3.0
153.06897	2.5
154.07751	0.7
155.04889	1.7
155.08542	2.8
157.06462	1.6
157.10133	2.4
159.08057	2.4
159.11670	3.9
160.05217	0.6
161.05981	4.7
161.09598	2.2
161.13243	3.6
162.06636	0.6
163.03838	2.5
163.07532	5.9
163.11188	1.2
163.14902	0.6
165.01836	4.4
165.05476	2.0
165.06982	4.0
166.02490	0.5
167.03397	0.8
167.07030	8.2
168.05672	1.9
169.06509	1.2
169.10117	1.7
171.08095	3.7
171.11725	2.2
172.08784	0.6
173.05951	4.1
173.09581	3.3
173.13240	2.1
174.06723	1.4
174.13982	1.0
175.07500	4.3
175.14816	1.6
177.05412	1.5
177.09102	2.1
177.12746	0.7
179.07158	1.0
181.04912	1.5
181.06500	1.6
181.08632	0.7
182.07227	1.1
183.02847	2.1
183.04332	1.0
183.08022	5.4
183.11679	2.3
185.09589	1.5
185.13258	1.3
187.03961	1.3
187.07562	2.7
187.11169	1.0
187.14825	1.8
189.05463	0.9
189.09093	20.7
189.12698	0.7
191.03247	0.6
191.07040	1.4
191.10641	3.8
191.14182	0.6
193.04912	0.7
195.08128	0.9
196.05150	0.7
196.12471	0.7
197.06015	0.8
197.09605	1.4
197.13275	1.0
199.07549	1.0
199.11122	1.1
201.05429	4.9
201.09085	4.3
203.07043	1.0
203.10670	2.3
204.15077	1.6
205.08585	2.0
205.12228	0.7
207.04433	0.7
207.06334	0.7
207.10106	3.5
210.10526	0.6
211.07542	4.5
211.11104	2.4
211.14796	1.2
213.09085	1.1
215.07033	1.2
215.10579	2.7
217.08618	0.9
225.05467	0.6
225.09148	1.5
225.12776	0.6
227.17903	0.6
228.04179	0.8
228.07779	1.1
229.04974	9.3
229.08554	6.6
229.12161	8.3
229.15771	0.8
238.09816	0.6
239.07191	1.1
239.14294	2.8
239.17979	0.8
241.12128	1.2
243.10149	3.2
245.07971	0.6
247.06096	1.5
247.09613	0.9
247.13387	0.8
249.12752	0.8
255.17323	0.8
257.04471	5.3
257.15356	8.3
257.18964	1.4
257.22626	0.7
267.11310	0.6
267.13815	3.5
267.17285	0.9
270.12500	1.4
271.09641	4.2
273.18411	3.1
274.04742	1.3
275.16483	1.5
275.19785	0.6
285.03967	2.2
285.07819	0.8
285.11758	1.1
285.14886	17.5
285.18375	2.6
285.21747	0.9
286.15237	0.6
288.09897	0.6
303.04980	100.0
303.08371	3.9
303.12308	2.9
303.15918	8.6
303.19543	3.6
303.22690	5.4
304.05301	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	303.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
53.78605	0.5
55.01869	1.1
55.05507	6.1
65.03931	1.3
65.66260	0.4
67.05509	3.5
68.99783	3.5
69.03411	1.2
69.07066	3.4
70.06610	0.5
71.52989	0.7
71.53336	0.6
79.05468	1.5
81.03403	1.2
81.07053	3.9
82.06575	1.5
83.04961	1.1
83.08606	3.3
84.08131	0.4
85.02908	0.6
85.06555	0.7
91.05482	4.9
93.03397	1.0
93.07023	2.4
95.04952	1.7
95.08603	4.2
97.02910	0.7
97.06522	0.5
97.10163	0.9
99.08045	0.7
100.07614	0.4
100.11250	13.6
101.66572	0.5
103.05467	1.4
105.07027	3.0
106.96677	0.4
107.04953	1.0
107.08604	2.5
109.02881	2.0
109.06503	1.9
109.10152	4.5
110.06046	1.2
111.00802	2.0
111.04439	2.3
117.03404	0.5
117.07006	1.3
117.13858	0.6
119.04925	1.5
119.08559	2.7
121.02855	2.2
121.06495	1.8
121.10128	2.1
121.13184	0.4
123.04426	5.0
123.08080	0.8
123.11703	0.9
125.09664	0.5
127.03897	0.8
128.06209	0.8
128.07104	1.3
129.07007	0.7
131.04898	1.3
131.08531	1.1
133.10143	1.2
135.04414	1.4
135.08080	0.6
135.11674	0.7
137.02356	7.5
137.03410	0.8
137.05974	9.6
137.09581	0.7
139.03922	1.1
141.06981	0.8
141.11488	2.8
141.12436	0.4
143.08543	0.7
145.02837	0.9
145.06465	1.3
145.10094	1.9
147.04350	1.8
147.11682	1.7
149.02397	0.9
149.05948	1.1
149.09615	2.6
151.03893	5.5
151.07533	1.8
153.01820	9.3
153.05441	1.6
153.06926	1.1
154.12321	0.7
155.04919	1.2
155.08549	1.5
157.06471	0.5
159.04482	0.6
159.07982	0.9
159.11676	0.7
161.06003	1.3
161.13307	0.8
163.03952	2.2
163.07539	1.9
163.64359	0.6
164.14584	0.4
165.01828	3.0
165.05499	2.0
165.06812	2.2
166.02574	1.0
167.07054	0.7
168.05759	1.0
169.06487	0.7
171.08102	0.6
171.11682	0.5
173.05936	2.3
173.09636	1.1
173.11023	0.5
175.07579	1.3
175.11139	0.7
177.05505	1.5
179.07059	1.0
181.05052	1.0
181.06537	0.7
181.08566	0.6
181.15764	0.5
182.07268	1.1
182.15387	3.1
183.02902	1.5
183.04355	1.0
183.07996	2.8
185.09702	0.7
186.06725	0.5
186.91072	0.5
187.03934	1.0
187.07475	3.4
187.14804	0.8
189.09113	1.1
191.03445	0.6
193.04901	0.7
195.02791	0.7
195.08112	0.6
196.05298	0.5
197.05943	1.4
197.09700	0.7
199.07527	1.0
199.18050	1.5
201.05420	4.4
201.09122	3.7
203.06972	1.0
203.10622	0.9
204.66515	1.2
205.08578	1.2
209.16533	1.5
210.14879	2.7
211.07489	2.7
211.11272	0.6
211.14954	0.7
212.08011	0.6
213.05492	0.6
213.17795	2.1
214.00430	0.5
215.06953	1.2
215.10730	1.0
216.07855	0.5
217.08617	0.9
218.66434	0.6
219.06528	0.7
225.09062	1.1
226.19020	0.8
227.17603	2.4
227.67728	0.6
228.04257	1.0
229.04956	9.4
229.08525	4.4
231.10155	0.8
239.07101	1.2
243.10176	1.8
243.13849	1.5
245.11761	0.6
247.05948	1.1
247.09723	0.9
257.04446	4.8
257.15326	1.6
260.48587	0.5
267.13882	0.8
271.09613	1.7
272.10471	0.6
274.04715	1.2
275.05255	0.5
275.16406	0.9
285.03961	2.0
285.07141	0.5
285.14890	5.5
288.09946	0.5
303.04987	100.0
303.15802	6.1
303.23068	5.1
304.05270	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	304.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.94364	0.7
57.03440	0.7
61.02905	1.8
69.03419	3.9
70.49313	2.8
73.02925	0.7
73.71971	0.7
80.05027	0.7
81.03406	1.7
85.02895	10.8
85.03376	1.1
91.03947	1.0
97.00482	1.5
97.01105	27.3
97.02889	2.9
101.06004	0.9
124.02164	100.0
125.02469	1.2
127.03899	1.7
142.03201	54.6
143.03564	0.8
145.04964	1.9
152.11714	0.7
179.07027	1.0
231.68027	0.7
304.05319	1.0
305.10202	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
53.95749	1.6
55.01861	2.9
55.30907	1.6
57.03424	5.8
58.06581	1.6
60.04529	9.5
61.02915	5.4
67.01833	2.9
68.99772	2.7
69.03424	14.0
69.07063	47.3
71.04979	1.5
71.08629	24.3
71.09721	4.8
72.43970	1.6
73.02896	3.5
81.03422	11.2
84.04482	1.8
85.02898	79.4
86.02408	6.7
87.09756	2.0
96.08122	4.3
97.02884	48.8
97.06524	6.4
99.04443	2.8
103.03960	8.6
107.04938	2.0
108.43089	2.0
109.02884	15.0
114.09158	18.3
115.03864	1.6
121.02814	1.8
123.04427	23.7
126.09166	1.9
127.03912	18.2
130.06497	2.3
135.04420	5.1
135.28845	1.4
137.05937	2.8
138.09140	2.9
139.03859	8.7
142.08621	100.0
145.04951	7.0
149.02345	2.4
151.03879	5.2
151.07628	1.7
154.05058	2.1
155.03387	24.9
156.10226	3.8
163.03876	6.4
167.03473	1.9
179.03438	2.4
179.06981	3.8
184.09682	84.1
206.05666	2.5
208.09651	18.0
213.05359	2.4
220.09901	2.1
231.06438	2.2
238.10732	3.2
243.82823	1.6
250.10802	12.1
259.06042	4.3
304.05246	10.0
304.08496	2.9
304.13800	2.0
305.06638	4.2
305.10178	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	304.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
53.20996	0.3
55.05495	0.5
57.03410	0.8
57.50560	0.3
61.02905	1.2
64.75931	0.3
65.03925	0.5
67.01852	0.4
68.05006	0.8
69.03408	3.0
69.07049	0.5
69.88111	2.0
70.06605	0.6
71.04971	0.7
73.02895	0.7
79.05478	5.7
80.04987	0.6
81.03385	1.4
81.05782	3.1
81.07050	4.5
82.06555	0.6
83.03654	0.4
83.04962	0.4
85.02893	5.1
86.06039	0.7
86.09697	0.5
94.06538	1.2
95.04947	0.8
96.04453	2.0
96.08112	9.6
97.02876	1.6
98.97559	0.8
106.06513	0.6
109.02869	0.7
110.06046	0.4
112.07580	1.5
123.04446	0.4
124.07566	100.0
125.07906	1.2
127.03897	1.5
135.04436	0.3
138.33037	0.3
140.06976	0.3
142.08609	16.5
145.04912	0.8
155.03375	0.5
163.03932	0.5
177.00627	0.5
179.07040	1.5
206.05782	0.6
229.04823	0.4
237.02727	0.5
304.05176	0.4
304.14120	0.4
305.03076	0.5
305.09979	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	305.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01860	1.9
56.96560	100.0
57.03427	2.4
61.02918	2.8
69.03431	8.3
70.06581	1.5
70.09626	6.3
70.51099	1.1
70.98114	27.2
71.01360	2.3
71.95252	8.1
72.96037	2.6
73.02914	3.4
74.97603	3.3
81.03408	1.7
84.96042	6.7
85.02903	13.8
88.99158	12.6
91.05524	1.4
97.02885	21.3
98.97577	65.8
99.73123	1.4
101.00851	2.9
105.56217	1.3
107.00175	4.4
107.04942	3.0
109.02871	2.0
110.97553	6.1
112.99146	1.7
113.00835	1.6
116.39682	1.1
116.98608	44.6
116.99440	2.5
119.01917	12.2
120.03733	1.2
121.06476	1.7
124.95468	5.5
125.02347	38.8
127.00663	2.0
127.03889	2.5
128.98592	11.2
131.00180	5.4
131.01862	6.1
133.01689	4.3
133.03438	3.4
134.99646	22.7
135.04364	1.7
137.02948	3.0
139.03888	1.4
140.00192	1.4
140.98564	4.2
142.96527	12.5
143.00182	4.7
143.01939	4.4
143.03389	29.8
143.05511	1.2
143.08128	2.1
144.97984	2.1
145.01711	4.2
145.03485	3.2
145.04947	2.0
146.99623	11.9
147.04393	2.2
149.01234	3.5
151.07524	2.9
153.00681	3.7
154.96510	2.5
155.01843	2.2
156.02734	1.5
156.98073	1.3
157.03514	2.2
158.99643	14.4
159.05019	2.0
160.97554	10.1
161.01208	8.3
161.02940	10.0
161.06624	6.8
162.99155	3.8
163.02730	2.5
163.03880	3.1
165.00732	8.3
170.96011	3.9
172.94328	2.8
172.97586	17.6
173.01207	6.7
173.02943	5.5
173.06639	2.0
174.99109	7.9
177.00729	15.0
178.06233	3.3
178.98650	1.8
179.06966	11.2
184.97578	3.8
185.03018	2.7
185.06537	3.6
186.99104	3.5
188.97055	22.9
189.00696	6.3
190.95456	5.2
190.98622	46.6
191.02126	3.2
191.03575	2.9
193.00212	12.1
195.53946	3.1
197.03101	1.5
201.00705	4.5
202.04907	1.3
202.98624	13.8
203.02167	3.0
203.03951	2.6
203.07556	7.6
205.00209	9.2
206.05728	5.5
206.98135	18.6
207.01669	7.0
208.99702	10.2
211.01263	2.1
212.97070	1.9
214.98634	11.5
215.03915	1.5
215.07663	11.1
219.01765	7.4
220.99683	12.9
221.03186	1.7
221.05049	7.9
223.01256	5.5
223.04807	1.4
224.99313	1.4
229.05263	1.5
230.98108	18.3
232.96404	2.8
232.99687	20.3
234.99153	1.7
235.01311	5.6
237.02795	3.7
239.00801	2.4
239.07683	1.6
242.03610	1.6
244.07228	4.4
244.99635	5.1
245.05083	4.3
248.96100	1.7
248.99217	7.2
250.97636	3.3
251.00699	1.7
256.01355	2.6
263.00699	17.5
275.05576	2.3
275.09564	1.3
280.95044	2.1
281.01767	30.6
290.07883	4.3
299.02756	6.0
305.10663	35.4
322.05292	1.3
323.02988	1.7
323.06342	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.05502	0.9
56.79283	0.6
67.05487	2.6
69.07040	1.6
69.41479	0.6
69.55319	4.8
71.75840	0.6
79.05490	2.6
81.03422	0.9
81.07054	5.5
85.06532	1.3
89.97190	0.5
91.05479	4.8
93.07031	4.6
95.04945	2.3
95.08592	1.7
96.08116	1.4
97.06532	0.7
105.04514	1.0
105.07011	2.1
107.04926	0.6
107.08563	1.4
108.08112	1.7
109.10140	1.4
111.04433	0.6
119.08584	1.5
121.10142	1.7
122.06013	3.2
124.07571	9.7
126.05499	1.2
131.08533	0.7
131.21388	0.6
133.10158	1.2
135.04387	1.2
136.07565	100.0
137.05975	1.0
137.07903	0.8
138.09128	0.9
139.03883	0.9
140.07045	2.0
145.10091	0.9
147.04413	0.9
148.05138	0.6
148.07492	0.7
150.05458	0.8
151.07509	1.8
152.07054	19.9
155.14270	0.8
161.05997	0.7
161.13263	1.0
162.06706	0.8
163.03967	1.3
164.07054	75.3
165.07416	0.9
167.06969	0.7
170.08089	4.2
178.06233	1.0
179.07028	7.4
182.08104	14.4
191.03346	2.2
191.07028	0.7
203.93100	0.6
206.05733	2.4
244.07315	1.9
267.67557	0.6
275.05466	2.2
287.05435	0.7
287.13892	4.2
290.07822	1.6
305.05594	9.3
305.10239	17.7
305.14865	1.2
305.24710	1.1
306.10507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.01873	8.9
55.05502	11.8
57.03417	6.3
57.07062	7.4
58.06586	4.0
59.51268	1.2
65.03925	4.7
67.05499	60.9
69.03421	3.7
69.07053	9.5
71.04987	1.7
71.52404	3.2
77.83325	1.7
79.05490	33.0
81.03391	3.1
81.07052	29.3
83.04957	2.8
83.08604	2.6
85.06545	7.7
91.05476	38.7
91.23792	1.4
92.05809	5.2
93.07039	28.4
95.04958	100.0
95.08598	16.7
97.06533	7.0
105.07029	20.7
107.04935	13.0
107.08582	17.2
109.02885	2.3
109.06509	29.8
109.10136	5.9
111.08075	3.7
115.05377	1.8
115.35494	1.6
116.06246	1.7
117.07055	8.2
119.08551	9.8
121.06507	11.0
121.10091	9.5
123.08025	4.3
123.11680	1.9
127.03884	2.0
128.06212	2.3
129.06998	5.8
131.08568	15.1
133.06444	3.9
133.10107	7.0
135.04379	3.6
135.07115	2.8
135.08044	33.7
135.11668	6.4
137.05963	18.8
137.09599	1.8
139.03873	2.5
139.11099	2.1
142.07761	1.8
143.08530	10.1
145.06447	2.5
145.10104	12.2
147.08081	9.1
147.11658	5.3
149.06000	2.6
149.09615	6.6
149.13249	5.3
149.62532	1.5
151.07529	7.3
151.11147	3.7
157.10114	5.9
159.11659	6.8
161.09596	6.0
161.13234	3.0
163.03870	4.2
163.07516	1.9
163.11142	4.3
165.12735	4.5
167.06950	2.1
171.11736	3.1
173.13155	2.6
175.11188	2.5
175.14809	1.6
177.05417	1.8
177.12695	4.6
178.06244	4.8
179.07011	25.1
181.09966	1.8
183.11659	2.5
185.13197	2.0
187.14806	3.5
190.68356	1.4
191.03366	10.1
193.08569	1.4
195.11635	2.1
199.11304	1.5
199.14752	1.8
203.48648	1.6
205.12137	1.8
206.05762	8.3
210.91835	1.5
213.24083	1.6
217.15854	6.6
218.12399	1.4
219.06464	2.2
227.17958	2.1
229.04970	2.1
244.07367	5.9
245.18987	3.1
255.17639	2.0
273.18469	28.7
275.05447	5.1
287.20099	2.3
287.23660	2.5
289.49878	1.6
290.07831	6.8
305.05975	2.6
305.10165	57.4
305.21091	15.9
305.24686	4.6
305.30399	11.9
306.10410	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	305.2472
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
53.03935	5.0
55.01851	2.3
55.05504	40.7
56.76566	1.4
57.03426	3.3
57.07055	7.0
65.02158	1.7
65.03915	2.4
65.60240	1.7
67.05499	34.7
67.54563	1.6
68.12022	1.8
69.03423	1.8
69.07062	39.4
69.44635	13.6
71.04986	6.1
71.08598	2.1
79.05489	29.8
79.07507	1.7
81.07049	94.9
83.04961	9.0
83.08609	13.5
84.13387	1.5
85.06509	3.3
91.05481	24.9
93.07038	94.4
94.07367	1.9
95.04955	7.4
95.08599	78.0
96.08899	1.6
97.06515	11.2
97.10160	25.0
99.08071	3.4
99.38325	1.5
105.07016	36.6
107.08585	100.0
108.08884	2.2
109.06507	7.1
109.10149	43.3
111.08069	7.9
111.11716	5.1
119.07800	2.6
119.08571	30.4
119.96759	1.6
121.10136	64.8
123.08051	4.7
123.11696	25.1
125.09646	10.8
127.11221	1.8
129.06985	1.9
129.65326	1.7
131.08571	4.0
133.10121	24.6
135.08148	1.7
135.11674	41.0
136.12047	1.8
137.09572	5.2
137.10776	1.4
137.13222	6.4
139.11147	3.8
142.17987	1.5
145.10089	7.2
147.11676	27.5
149.09589	2.2
149.13243	95.6
150.13562	1.8
151.11197	5.4
151.14812	1.9
153.12697	2.1
159.11711	6.3
161.13274	10.5
163.11237	4.2
163.14795	19.9
165.12738	5.9
171.11682	2.0
173.13255	4.7
175.14850	8.2
177.12776	4.0
177.16356	7.8
179.07054	4.1
179.14294	2.9
181.12218	2.1
181.64919	1.8
189.16351	8.6
191.03242	2.1
191.14290	4.3
191.17944	2.5
193.15935	3.2
195.13777	2.4
195.17522	2.2
209.15382	3.9
213.16371	3.0
231.17581	1.6
231.27737	1.8
235.16748	1.9
249.18533	5.7
259.24170	2.2
261.22107	2.4
269.22635	4.5
277.25275	2.8
287.23648	10.5
305.10220	9.7
305.24728	69.8
305.28217	3.7
306.25134	1.6
307.50427	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2472
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
53.03931	4.0
55.05503	32.9
57.07063	5.7
59.95475	1.8
65.03922	3.1
67.05496	35.5
69.03431	4.4
69.07056	46.2
70.06564	1.8
70.56930	3.5
70.57290	4.7
71.04973	4.3
71.08604	3.0
79.05480	34.7
81.07047	100.0
83.04963	8.2
83.08598	14.3
85.02869	2.0
85.06529	5.4
91.05463	26.2
93.07030	90.9
95.04961	6.9
95.08595	79.0
97.06516	10.2
97.10155	19.3
99.08060	2.2
103.05538	2.3
104.86279	1.9
105.07017	34.8
107.08578	88.4
109.06507	4.9
109.10144	41.5
111.08059	6.0
111.11714	2.7
119.08564	29.9
121.10125	57.4
122.10365	2.4
123.08041	3.5
123.11691	24.6
125.09599	5.6
131.08563	5.1
133.10118	25.6
135.04401	2.7
135.11678	45.3
135.72849	1.7
137.09605	5.3
137.13222	5.0
139.03917	3.0
139.11198	4.3
143.08629	2.6
145.10127	6.7
147.11661	21.9
149.09598	2.9
149.13237	90.4
151.07545	4.2
151.11180	9.6
154.34676	2.0
159.11647	8.8
161.13235	11.4
163.03984	3.1
163.11066	2.9
163.14795	17.4
165.12701	4.6
167.06969	2.9
171.11716	2.3
173.13304	3.8
175.11229	1.9
175.14828	8.3
177.12709	4.3
177.16362	6.9
179.06981	21.5
185.13185	2.1
187.14789	4.5
189.16409	7.2
191.03410	6.1
191.14261	3.9
191.18063	2.6
193.15878	3.8
195.13635	3.0
199.14871	2.7
206.05736	6.9
209.15407	4.0
213.16434	2.1
223.16895	2.6
229.04977	2.5
244.07260	5.0
247.05896	2.0
249.18880	2.1
259.24207	5.3
261.22256	2.2
269.22589	7.0
275.05432	4.2
277.25122	3.0
287.23651	6.7
290.07748	5.8
297.40277	2.1
305.05338	2.3
305.06424	3.4
305.10147	51.5
305.24768	58.6
305.28677	8.5
306.10626	3.9
307.26025	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08792	0.3
53.03939	0.7
55.01857	0.4
56.49817	0.3
57.03422	1.6
58.99581	0.7
61.02916	2.1
62.31043	0.3
62.61446	0.4
65.03938	2.3
68.05019	2.2
69.03423	5.7
71.04980	0.8
71.19159	0.9
73.02898	1.6
74.25811	0.4
81.03415	1.4
84.08115	0.4
85.01122	2.4
85.02898	15.0
87.04459	1.5
88.75995	0.4
91.03951	0.7
97.01109	0.5
97.02892	3.7
97.29607	0.4
98.00624	2.9
99.02679	4.4
99.04425	1.0
101.02377	0.5
103.03930	1.0
103.63152	0.3
105.12587	0.3
109.02882	0.9
113.02955	3.0
126.03725	29.2
127.03860	1.9
127.04532	2.3
137.05997	0.6
144.04768	100.0
144.10197	1.1
145.05052	2.3
180.07382	0.7
186.05830	3.2
195.04451	0.3
219.15674	0.3
259.48029	0.3
276.05853	0.5
306.10062	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	306.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
65.68291	0.4
66.04711	0.6
69.07059	1.7
70.81367	1.1
70.81700	0.6
79.05497	0.5
81.07060	0.6
91.05487	0.8
94.04196	2.7
100.71262	0.4
106.05232	0.5
107.08646	0.7
109.06513	0.4
109.10120	0.6
114.09118	0.4
122.03653	7.1
122.11506	0.4
133.10146	0.5
135.11740	1.0
137.05977	100.0
138.06326	1.5
139.28485	0.5
153.12724	0.7
170.14101	0.5
170.15329	2.2
182.15393	2.4
183.80110	0.5
248.01291	0.4
302.07935	0.5
303.90662	0.4
306.20612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01865	1.4
55.05510	8.1
57.03419	0.2
57.07050	0.8
58.17308	0.2
60.76596	0.2
65.03918	0.5
67.05504	11.2
69.03424	0.3
69.07064	8.7
70.06589	0.2
71.04982	0.2
72.04516	0.4
79.05495	3.1
81.07050	9.0
82.06580	0.4
83.04945	0.3
83.08607	2.4
83.22310	0.2
84.04462	0.3
85.05270	2.7
85.06520	0.2
86.06044	0.8
88.37641	0.2
91.05478	1.7
93.07036	2.8
95.04948	0.8
95.08606	5.8
96.08110	0.3
97.06548	0.4
97.10159	0.6
98.06049	15.3
98.21622	0.3
99.06839	0.3
105.07027	1.4
107.04892	0.3
107.08600	1.4
108.08070	0.3
109.06511	0.6
109.10152	2.2
110.09653	0.6
112.07606	2.4
117.07027	0.5
119.08565	1.1
120.08029	0.2
121.10139	1.2
123.08038	0.4
123.11691	0.6
124.07537	0.5
124.11234	0.5
125.08367	0.3
126.09145	0.5
131.08534	0.5
133.10060	1.0
135.11667	0.6
137.05969	3.6
138.09242	0.3
140.10658	0.6
145.10117	0.6
147.11676	0.8
149.13182	0.2
151.11130	0.3
152.10725	0.3
154.12268	0.7
159.44386	0.2
161.13240	0.3
165.12807	0.2
168.13823	0.6
173.13216	0.3
182.15430	0.6
194.15396	0.3
196.16930	0.8
198.33423	0.2
208.16933	1.0
213.68398	0.2
218.05188	0.2
222.18452	0.6
224.20158	0.4
236.20023	0.8
257.18842	0.4
275.20062	2.3
289.21521	0.5
306.10446	0.7
306.27890	100.0
307.22656	0.9
307.28168	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32053	1.2
56.05019	5.2
56.96560	15.7
57.03415	2.7
58.28802	1.3
61.02912	3.8
63.33458	1.4
67.14445	1.3
68.05012	2.1
69.03419	3.3
71.04993	1.4
71.51135	2.3
73.02915	1.4
82.99846	1.7
84.04492	13.8
84.96016	2.5
85.02895	5.1
97.02881	3.4
97.29593	1.5
98.97581	2.4
99.84477	1.4
100.99137	4.0
101.00867	21.1
103.02407	2.4
105.09913	1.6
110.97563	2.6
112.07560	1.8
113.00877	1.5
114.03742	5.2
114.05517	4.7
115.02426	11.1
116.98586	3.1
119.01913	100.0
120.02032	2.4
121.01624	1.7
121.03477	2.4
122.06019	1.6
123.04385	1.8
127.03904	4.9
128.98619	4.0
129.03979	4.3
130.04994	3.5
131.01912	9.8
133.03450	25.5
137.01976	2.8
137.02939	31.7
142.03407	2.7
142.04990	3.9
143.01866	6.9
144.98140	2.1
144.99817	2.6
145.03471	8.6
146.99644	5.4
147.01410	2.3
147.03223	1.8
147.05008	6.0
149.02946	4.2
151.04488	3.6
155.01859	4.4
157.03465	6.5
158.06038	1.8
159.01262	1.9
160.04269	9.1
161.02948	21.0
162.99112	3.0
163.04552	2.5
165.00708	3.5
167.02043	1.6
168.06528	3.8
168.99782	7.8
171.05122	1.8
173.02939	12.8
175.04486	6.6
177.02396	10.8
183.01753	2.0
185.02899	4.0
186.07634	13.2
187.00847	25.5
189.00700	2.0
189.02504	2.4
189.06079	1.7
190.98650	7.5
191.03970	5.5
196.99309	4.7
201.02483	2.1
203.04004	3.1
205.01930	14.1
205.05505	2.6
208.99673	16.1
215.00352	27.4
217.01881	3.2
217.05534	1.7
218.04770	5.0
219.03546	9.3
221.05078	4.1
227.00648	2.8
229.01924	9.4
233.01410	3.9
238.01901	2.4
243.07936	6.9
244.06328	2.2
245.05074	1.9
247.02956	53.7
247.06691	2.9
265.04166	11.4
265.07620	7.6
269.04636	1.6
269.07819	1.5
270.04553	4.8
283.05258	1.9
288.98569	4.5
289.03973	7.6
289.08401	6.5
300.57916	1.7
307.04974	6.4
307.09586	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	307.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
65.86886	0.3
70.23154	1.4
98.24393	0.4
99.73811	0.3
101.00859	1.5
119.01913	6.6
137.02946	1.6
143.45787	0.4
156.54401	0.4
158.99876	0.6
176.14580	0.4
177.00943	15.0
178.01018	1.2
182.99893	0.4
201.00879	0.7
207.03011	0.4
217.04030	2.2
218.03622	0.5
219.01985	22.2
220.02063	1.2
221.01741	0.8
221.51402	0.4
225.00847	2.4
240.05695	0.5
242.03622	0.6
243.01959	7.4
244.38324	0.4
258.06802	0.9
260.04510	0.4
261.03040	100.0
262.03177	5.5
263.03513	0.6
265.02792	0.4
266.03412	0.4
283.95517	0.4
284.04666	6.8
285.04660	0.6
302.03305	0.6
302.05676	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	30.8
56.96841	1.8
61.02912	1.3
69.03397	2.5
70.04628	3.4
70.05032	1.3
71.04993	1.0
71.95247	1.3
81.03393	1.2
84.96022	10.7
85.02881	4.4
97.02865	2.6
97.96774	1.0
98.20918	1.1
98.97573	94.5
100.99095	1.6
101.00871	1.2
102.97061	1.0
110.96824	1.6
110.97556	22.6
112.99120	3.2
115.02396	1.1
116.98611	35.5
119.01885	3.4
124.99098	1.6
126.97019	1.0
127.03873	3.0
128.98587	22.1
131.00142	2.8
131.01906	1.8
133.03445	2.5
134.99655	7.8
140.98561	3.6
141.94502	1.0
143.00168	10.6
143.01889	1.2
144.98093	4.2
145.01675	2.1
145.03391	1.4
146.99637	11.0
149.01172	1.6
152.98579	12.0
155.01807	1.3
158.99632	11.1
161.01186	8.3
161.02817	1.6
162.99153	1.6
163.02838	4.9
163.04050	1.2
165.00630	1.0
170.99648	10.4
173.01173	1.0
173.02867	1.2
175.04434	1.3
177.00696	10.0
179.02213	1.6
181.03745	2.0
187.02856	1.0
189.00665	6.0
191.02431	0.9
201.00659	4.1
205.02039	1.0
205.03804	2.1
217.03877	1.4
217.07350	1.1
219.01747	21.9
237.02802	40.4
247.02730	1.6
247.04794	8.2
255.03821	4.5
265.05911	100.0
266.06235	1.7
283.06989	31.3
288.07480	2.9
306.08414	1.0
307.06955	63.5
307.10266	2.6
308.07202	1.3
325.07996	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	307.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47162	3.1
70.13226	11.3
101.00860	3.9
103.59886	3.0
104.51087	3.3
119.01885	6.2
145.03394	3.5
165.89247	4.1
221.05029	4.1
307.07797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88000	0.9
53.03921	1.2
55.01846	1.2
56.96561	41.6
57.03416	1.6
61.02897	2.7
69.03426	7.3
70.05033	4.4
70.98082	1.3
71.95243	1.3
73.02900	1.9
81.03393	3.1
84.96021	11.6
85.02446	1.0
85.02898	14.7
85.06479	1.1
86.03203	0.9
87.04443	2.3
91.03942	1.7
97.02896	6.5
98.20892	1.1
98.97575	100.0
99.04420	2.1
100.99131	4.0
101.00872	6.8
103.02414	1.8
109.02847	2.4
110.96856	1.6
110.97558	24.7
112.99081	3.8
113.00839	1.2
115.02383	2.2
116.98608	41.0
117.05507	0.9
117.98852	0.8
119.00130	1.9
119.01175	1.1
119.01914	16.8
124.99094	3.6
126.96971	0.8
127.00658	1.5
127.02392	1.0
127.03950	4.0
127.04690	0.9
128.98590	28.8
131.00146	5.4
131.01895	6.0
133.01633	1.3
133.03429	6.9
134.99632	10.1
135.03172	1.8
137.02893	1.7
140.00046	1.1
140.98593	4.0
143.00160	11.1
143.01225	0.9
143.01849	3.1
144.98041	3.4
145.01741	4.2
145.03392	8.7
145.04860	2.1
146.98660	1.1
146.99637	14.0
147.01337	1.1
147.03177	0.9
147.04974	1.8
149.01129	2.1
151.06230	1.7
152.98595	12.9
153.05724	1.3
155.01923	5.9
156.02585	1.1
157.03438	5.4
158.99660	11.9
159.03206	1.0
159.04930	3.6
161.01227	10.4
161.02856	5.8
162.99057	2.1
163.02724	10.3
163.04431	2.3
163.05940	0.8
165.00658	1.2
169.04434	1.3
170.99637	14.6
171.04922	2.3
173.01237	1.9
173.02873	4.9
175.02802	1.2
175.04451	4.0
177.00673	10.1
177.04051	0.8
177.06058	2.2
178.04883	2.6
179.02185	1.7
181.03725	4.2
185.01137	1.0
185.02838	1.0
187.00896	1.6
187.02667	2.9
187.04443	3.3
187.06155	1.7
189.00726	6.2
189.04266	1.1
189.06029	3.0
191.02263	1.8
195.01656	1.1
199.04436	1.9
201.00661	3.2
201.05933	1.0
203.02246	0.9
203.03961	2.9
205.01907	1.8
205.03757	3.6
205.05495	1.5
205.07309	1.7
215.00336	2.6
217.03703	1.3
217.07477	1.6
219.01750	25.6
221.05063	6.2
223.04703	1.2
226.06010	1.4
227.06831	0.8
237.02783	49.5
245.04987	2.3
247.02718	3.7
247.04831	6.7
247.06609	6.7
255.03801	3.7
259.06577	1.9
265.05820	85.9
266.06155	1.6
283.06992	25.1
288.07468	2.7
306.08472	1.1
307.06934	63.6
308.07275	1.2
319.08704	0.9
321.10062	2.7
325.07993	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0807
Annotation	(+)-Gallocatechin
Peak:m/z	Relative Intensity
50.77960	0.9
53.03961	1.2
55.01859	0.9
62.40109	1.0
65.03918	1.7
67.01862	4.9
67.05479	1.4
68.99786	8.3
69.03398	2.0
70.96881	2.6
78.21561	1.0
81.03422	2.5
81.07046	1.3
91.05485	5.4
95.04964	1.6
97.02881	1.2
107.04934	1.2
109.02882	2.4
111.04424	3.7
115.05419	1.5
119.04919	13.3
123.04412	66.2
124.04777	1.2
127.03873	4.7
131.04863	1.2
135.04395	3.8
137.02344	6.1
137.06036	1.9
139.03891	42.1
145.06450	11.1
147.04396	40.3
151.03889	2.3
155.03377	100.0
156.03671	2.4
159.04404	1.7
161.05972	1.7
163.03873	6.4
163.07431	1.7
165.05473	19.8
169.06383	1.2
177.05501	4.8
187.03864	2.3
192.25558	1.2
197.05878	1.4
201.05458	3.0
215.07068	2.1
219.06612	1.5
229.04930	2.5
243.06575	1.3
247.05836	1.4
271.06140	2.2
289.06998	5.8
307.07950	2.2
307.12854	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.081
Annotation	Leucocyanidin
Peak:m/z	Relative Intensity
55.01870	3.5
55.05486	0.7
57.03407	0.7
59.02810	0.7
59.28350	0.7
60.14855	0.6
65.03922	1.2
66.59639	0.7
67.01857	5.7
67.05489	1.8
68.99780	8.5
69.03413	2.2
69.87587	4.0
71.04971	0.9
79.05469	1.2
81.03417	3.6
81.07062	1.4
83.01371	0.7
83.04964	0.8
85.02892	1.9
91.05472	6.3
93.03401	1.2
93.07029	1.1
95.04964	1.5
97.02870	1.9
98.98475	0.7
99.04441	1.0
103.05482	1.7
105.07016	1.8
107.04939	1.7
109.02869	3.4
111.04429	2.6
115.05443	3.6
116.06288	0.9
117.06974	1.7
119.04943	14.7
119.08556	0.8
123.04420	63.1
124.04745	1.1
127.03928	3.8
128.06223	2.1
129.06966	2.4
130.06540	2.5
131.04901	3.6
131.08568	1.2
132.04451	0.9
132.95872	0.7
133.02823	1.0
133.06471	1.2
135.04398	2.1
137.02347	6.0
137.05974	2.0
139.03891	34.4
140.04210	1.0
141.01755	0.8
141.06979	1.8
143.04890	1.0
143.08572	1.1
144.05699	2.9
144.08061	0.7
145.06519	4.0
145.10103	0.8
146.06000	1.2
146.07158	0.7
147.04398	37.3
147.07993	2.2
149.02347	0.7
149.05971	1.5
151.03899	3.1
153.05502	0.9
153.06924	1.4
155.03381	100.0
156.03700	3.8
156.05661	1.4
157.06465	2.6
157.07646	2.3
158.05992	2.8
158.07205	0.9
159.04402	2.1
159.08037	1.9
160.05304	1.4
161.05995	3.8
163.03879	5.8
165.04147	1.3
165.05481	18.7
165.06854	1.7
167.03435	0.9
169.06479	1.8
171.08040	2.4
172.05225	0.9
173.06006	4.5
173.09581	0.8
175.07545	2.8
175.08826	1.1
177.05446	6.6
178.06221	0.8
179.03342	0.9
181.04939	1.4
181.06409	1.6
183.08055	0.8
184.05217	1.8
185.05980	1.4
187.03934	1.8
187.07512	2.5
190.06244	1.9
191.07031	2.5
192.07803	2.4
193.08627	1.0
197.05968	1.8
198.06725	1.2
199.07494	3.4
201.05493	2.4
201.09135	0.9
203.07004	2.6
205.05006	1.0
205.08615	7.8
206.09280	1.2
207.10069	1.5
211.07515	2.0
215.07109	1.9
217.08517	1.8
219.06520	1.5
219.10136	2.4
221.08026	1.3
226.06415	0.9
227.07050	3.3
228.07910	0.8
229.04916	2.6
229.08565	0.9
231.10158	2.1
233.08087	4.2
235.09621	1.6
243.06564	2.8
245.08183	1.5
247.06088	1.3
247.09644	2.4
249.11127	1.8
251.09122	0.9
253.04907	1.2
257.08078	1.0
259.09656	7.0
261.08646	0.9
261.11063	4.3
271.06006	2.7
277.10638	1.6
289.07056	5.4
289.10736	4.0
307.08112	4.1
307.11929	3.7
307.16183	1.3
326.93750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1285
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
50.69713	0.6
51.96909	0.6
54.67231	0.6
55.01855	1.7
61.68768	0.6
70.97327	1.5
80.95099	0.5
81.03407	1.7
81.06928	0.5
91.05470	1.3
94.06569	0.8
98.06068	0.7
99.84196	0.6
105.06976	0.7
106.06524	0.8
107.08543	1.2
108.04405	0.8
110.66473	0.7
115.05433	0.9
122.06014	2.5
132.08066	0.8
135.08049	2.1
136.07574	1.3
138.05428	1.0
139.71397	0.6
140.07047	2.0
145.06468	2.2
150.05487	0.7
150.09177	0.7
159.08061	0.8
160.07582	2.9
163.03926	1.4
163.08720	1.4
164.06970	0.8
168.06540	1.6
169.99657	0.8
170.09578	0.9
173.10635	0.8
174.05629	0.7
174.09117	2.5
176.07083	0.8
177.10249	1.1
178.08629	14.6
182.08102	1.0
184.07513	1.5
187.08734	0.8
188.07037	3.5
190.08546	0.9
198.09166	1.7
201.10255	4.5
202.08614	6.2
205.09702	3.9
206.08119	2.5
212.07100	0.8
216.10190	2.5
219.07661	1.5
219.11246	5.7
220.09668	2.2
226.08629	2.9
229.09785	5.7
230.08147	3.8
243.11234	2.0
244.09622	3.3
247.10725	11.8
248.09267	0.9
261.12442	1.5
265.09195	1.2
265.11816	14.0
271.10779	1.9
272.09177	2.9
289.11777	15.2
307.12860	100.0
308.13165	2.5
312.83823	0.7
312.88574	0.7
314.60727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.0
55.01867	5.9
55.05509	16.3
56.05840	2.1
57.03428	1.8
57.07077	1.4
65.03932	1.8
67.05501	32.6
68.05820	2.2
69.03400	1.6
69.07063	18.2
70.07389	2.1
71.04988	2.1
79.05482	18.5
81.03403	3.5
81.07049	37.9
82.07388	2.7
83.04967	2.8
83.08609	7.6
84.08910	0.9
85.05291	1.5
85.06527	0.9
85.51906	0.8
91.05470	15.8
93.07036	18.0
95.04967	14.8
95.08605	19.6
96.08961	1.6
97.06532	6.0
97.10152	2.6
98.06051	10.7
98.10480	1.0
99.06378	3.5
105.07024	18.6
106.07350	0.8
107.04945	3.8
107.08590	11.2
109.06513	9.9
109.10150	12.1
110.10469	0.9
111.08064	2.1
111.11725	1.1
112.07603	1.4
117.07012	5.1
119.08569	17.7
121.02859	1.2
121.06517	3.8
121.10130	7.5
123.08066	8.3
123.11698	3.2
125.09637	1.3
129.07025	1.9
131.08566	8.3
133.10126	12.8
135.08026	3.3
135.11682	4.0
137.05951	2.1
137.09601	5.9
138.06294	1.7
139.11197	1.0
143.08580	1.7
145.10098	7.6
147.11681	10.6
149.09631	4.0
149.13260	2.8
151.11192	3.7
155.08565	1.2
157.10141	2.1
159.11707	5.4
161.09639	1.2
161.13240	2.8
163.11176	4.3
163.14716	1.2
165.12752	2.1
169.10088	1.2
171.11711	2.0
173.13246	3.4
175.11247	1.3
177.12772	2.1
183.11635	1.0
187.14801	0.7
189.12700	0.9
191.14267	1.1
197.13339	1.6
199.00270	0.8
201.12877	1.6
203.17860	0.8
207.13774	1.5
219.17374	0.9
223.18893	0.8
229.19479	2.0
233.18840	0.9
239.17986	2.6
247.20544	5.1
257.19000	5.1
275.20026	35.1
276.20313	1.7
289.21515	4.0
307.23013	13.5
307.28226	100.0
308.28665	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2263
Annotation	Wyethic acid
Peak:m/z	Relative Intensity
52.03683	3.2
53.03931	7.4
55.01854	13.2
55.05507	41.7
57.03416	4.4
57.07062	14.1
58.06982	3.6
59.04995	3.7
65.03931	7.1
67.05502	76.0
69.07066	32.6
71.04972	7.5
71.08662	4.2
71.53149	6.1
73.72935	3.5
79.05477	47.7
81.03394	7.8
81.06590	5.1
81.07053	100.0
83.04958	13.9
83.08588	15.0
85.06517	5.1
91.05474	48.3
91.18752	3.5
93.07040	49.8
95.04967	33.2
95.08601	61.4
97.06506	16.3
97.10143	7.8
105.07016	55.5
107.04934	12.5
107.08575	42.1
109.06515	24.0
109.10149	38.7
111.08098	5.2
111.11695	5.2
117.06992	17.1
119.08572	47.3
121.02803	4.4
121.06495	7.2
121.10137	25.5
123.08047	13.2
123.11676	18.9
125.09585	4.0
131.08546	20.8
133.10132	37.2
135.07996	13.6
135.11674	13.2
137.05972	15.0
137.09592	16.3
138.06291	8.7
145.10086	19.7
147.08028	4.6
147.11655	22.1
149.09604	14.5
149.13242	6.7
151.11162	11.8
155.08560	5.3
159.11647	11.8
161.13188	8.6
161.84341	3.3
163.11153	10.0
163.14830	5.9
165.12730	4.6
169.10153	3.9
171.11629	6.2
173.09573	3.8
173.13292	10.6
177.12631	4.7
201.12785	6.0
219.13695	5.9
229.19449	5.5
239.17877	7.6
247.20526	10.3
257.19006	13.1
275.20035	99.3
276.20282	4.6
289.21600	8.5
307.10245	3.7
307.22760	33.4
307.26013	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	307.2265
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
55.01867	37.9
55.05503	29.6
57.03415	7.3
60.67627	3.8
67.05501	69.3
69.07066	33.7
70.05687	19.8
71.04993	7.2
79.05495	39.7
81.03411	8.4
81.07052	71.4
83.04967	7.2
83.08616	17.0
85.06526	4.3
90.77342	3.7
91.05470	47.0
93.07037	52.2
95.04948	29.0
95.08045	5.6
95.08610	57.6
95.93111	3.9
97.06528	49.5
97.10153	8.4
105.07030	40.9
106.89807	4.4
107.04945	14.4
107.08590	35.0
109.06504	13.6
109.10154	21.5
111.08053	8.0
117.07002	13.4
119.08566	31.4
121.02861	6.8
121.06538	10.6
121.10133	21.3
123.08053	16.0
123.11732	7.7
125.09656	6.8
131.08545	14.9
133.10132	28.0
135.08029	6.3
135.11688	16.5
137.05923	5.1
137.09593	10.6
145.10088	20.4
147.11685	24.1
149.09615	29.7
149.13254	13.2
151.11189	11.3
157.10124	5.8
159.11691	15.1
161.13255	9.4
163.11154	14.1
163.14737	4.1
165.12689	5.9
171.11673	7.0
173.09598	4.6
173.13255	15.2
177.12779	6.1
186.36198	4.2
229.19518	9.4
239.18080	10.5
247.20610	10.1
257.18954	15.6
275.20016	100.0
276.20490	4.6
289.21524	21.2
289.28793	5.4
307.13190	6.9
307.22565	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2627
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03928	2.9
55.05505	20.3
57.03418	1.3
57.07079	6.8
66.66228	1.5
67.05177	1.8
67.05500	28.1
69.03399	1.6
69.06721	2.1
69.07063	23.9
69.44519	6.6
69.44925	2.4
71.04967	2.0
71.08601	2.4
78.48164	1.1
79.05477	12.0
81.03400	1.6
81.07046	100.0
82.07365	1.6
83.04949	2.5
83.08608	11.4
85.02876	1.3
85.06511	3.6
89.64467	1.1
90.22169	1.2
91.05466	6.9
93.07038	15.8
95.04945	2.1
95.08595	88.2
95.36781	1.1
96.08878	1.5
97.06517	2.8
97.10150	11.1
98.21469	2.2
98.98450	1.8
99.08051	1.7
101.05977	1.9
105.07008	6.3
107.08580	17.4
109.06520	2.6
109.10143	52.5
110.10488	1.9
111.08056	5.3
111.11707	2.8
117.06997	1.6
119.08588	6.6
121.10122	12.1
123.08080	2.2
123.11697	23.8
125.06000	1.5
125.09588	3.4
131.08543	2.4
133.10106	3.8
135.11676	7.0
137.09558	2.1
137.13231	9.2
139.07417	1.2
139.11124	2.7
141.09073	1.3
145.06441	3.0
145.10106	3.1
147.11644	3.4
149.09581	1.7
149.13217	4.2
151.11176	3.9
151.14792	13.6
157.10083	1.1
159.11684	3.0
161.13258	3.2
163.07579	1.6
163.11122	2.5
163.14769	4.1
165.12769	1.1
165.16429	1.9
173.13208	1.7
175.60815	1.1
177.16380	2.8
179.14311	1.7
187.14745	1.7
191.18044	1.9
201.16338	2.4
205.12262	1.3
216.45967	1.5
219.08006	1.4
219.17343	1.9
223.16870	2.2
233.18973	1.4
237.18459	2.6
261.25787	1.7
264.07785	2.7
271.24097	1.9
289.18356	1.9
289.21817	1.8
289.25201	5.9
292.07141	2.0
294.47147	1.3
307.09625	7.0
307.26312	21.5
308.10312	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
54.35281	0.3
55.01867	0.5
57.03419	0.7
61.02908	1.2
63.76272	0.3
69.03423	3.6
69.25165	2.8
71.04988	0.5
71.30966	0.3
73.02921	0.5
74.09713	0.2
76.02223	0.3
81.03403	1.4
85.02896	7.8
87.04445	0.8
91.03947	0.5
91.05491	0.5
97.02885	2.9
99.04436	0.7
109.02870	1.0
115.36312	0.3
118.06524	1.0
127.03900	1.8
128.04980	0.3
140.07016	0.4
145.04922	1.6
146.05992	100.0
147.04373	0.7
147.06313	1.8
179.18860	0.3
192.07430	0.4
200.33308	0.3
211.85953	0.3
283.65680	0.3
294.08777	0.3
308.11285	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56780	0.3
55.01859	0.4
55.05501	0.3
57.03414	0.4
58.06581	0.4
61.02900	0.7
69.03432	2.0
69.63298	1.7
70.04044	0.3
71.05000	0.3
72.08152	0.4
72.93758	0.4
73.02891	0.4
76.04017	0.2
81.03393	0.9
84.04456	0.5
84.08119	1.2
84.86704	0.3
85.02901	4.4
85.08495	0.3
86.40993	0.3
97.02885	1.4
98.20855	0.5
99.04417	0.4
106.46679	0.3
109.02866	1.0
113.85455	0.3
119.04960	0.4
127.03929	0.8
131.42937	0.3
139.03848	0.3
145.04980	0.4
146.05995	100.0
146.11761	0.8
147.04443	0.6
147.06316	1.8
155.03371	0.4
156.03693	0.4
179.57314	0.3
262.10864	0.4
308.11307	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	308.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63549	1.0
53.03918	1.1
55.05508	31.0
57.07080	1.6
59.05004	8.8
61.91962	1.1
67.05484	2.5
68.05808	1.3
71.04988	3.0
71.52525	1.7
75.83066	1.1
76.02219	2.2
81.07034	2.0
83.04979	51.5
85.06542	14.0
91.05426	5.6
93.07026	1.8
95.04963	23.7
95.08582	1.6
96.09529	1.1
99.04443	2.0
101.06013	100.0
105.07001	2.3
109.10094	1.7
110.10493	1.5
113.05982	5.9
115.05387	1.3
119.04918	3.9
119.88905	1.0
121.06459	3.2
122.07281	1.3
129.07301	1.4
131.04897	4.2
133.06549	1.7
134.07297	1.3
135.08044	1.7
137.05968	1.5
145.06436	2.6
147.04411	25.5
149.05974	12.1
150.06723	5.2
158.07272	1.3
159.08028	2.1
161.05997	20.8
162.06754	31.4
163.07533	15.9
164.08292	4.0
165.05444	5.5
168.05701	1.3
173.05942	3.9
174.06741	4.0
175.07487	2.3
176.04623	1.4
177.05486	5.4
187.07553	7.5
187.11070	1.3
188.08305	5.3
189.05417	1.5
190.06238	17.6
191.07037	3.7
193.04956	10.1
195.06546	1.6
201.05443	2.9
201.09103	5.1
208.07303	87.4
209.07747	1.8
215.07092	1.6
215.10681	2.2
219.06471	4.3
220.07211	2.7
232.07295	23.8
233.05818	2.0
233.08072	28.3
234.08771	3.9
244.10854	2.3
246.08859	2.2
247.09724	1.7
272.10431	4.5
274.52002	1.3
276.20459	2.2
277.08606	1.3
290.11438	5.4
308.12598	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	308.2217
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.96947	0.2
57.07050	0.5
57.98041	0.2
58.02946	0.2
66.04716	0.3
67.05497	0.6
69.07055	0.6
71.08611	0.7
71.53118	0.2
79.05499	0.5
81.07043	2.3
84.48367	0.3
85.10175	0.2
91.05455	0.8
93.07030	0.4
94.04173	2.1
95.04971	0.4
95.08591	0.8
99.08090	0.3
107.04942	0.5
107.08565	0.3
109.06486	0.7
111.11780	0.2
122.03635	7.8
137.05962	100.0
138.06288	2.5
155.14308	0.3
164.64131	0.2
165.12679	0.4
172.16960	1.7
184.16960	2.6
291.23154	0.7
308.22205	0.6
308.25897	0.3
308.29440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19212	0.2
53.03945	1.4
55.01860	0.5
55.05511	0.6
57.03427	0.9
59.68355	0.2
65.03935	0.8
67.05494	0.9
69.03078	0.4
69.03424	4.4
69.07062	1.5
70.58283	0.4
70.58667	0.8
71.04987	0.9
73.02901	0.4
79.05483	0.9
79.41698	0.2
80.53950	0.2
81.03413	12.1
81.07054	3.2
83.08614	0.3
85.02903	5.6
87.79258	0.3
91.05473	11.4
91.59164	0.2
93.07066	1.1
95.04981	0.3
95.08613	2.1
97.02884	1.6
97.06552	0.3
99.04459	1.0
102.27577	0.3
105.07034	0.4
107.04992	0.2
107.08578	1.0
109.02872	5.1
109.06470	0.3
109.10139	2.2
111.08067	0.4
111.11762	0.3
117.07029	0.3
119.04933	26.8
119.08557	1.0
120.05280	0.5
121.10129	0.8
123.04347	0.3
123.11698	0.6
124.33965	0.3
127.03911	1.7
133.10158	0.4
135.11693	0.5
137.05995	0.3
137.13266	0.3
139.11171	0.2
147.04398	100.0
147.08034	1.3
148.04727	1.7
149.13220	0.7
163.14888	0.3
165.05467	5.0
234.06825	0.4
249.09251	0.5
262.06314	0.3
277.08685	1.1
279.26700	0.5
281.11676	0.6
291.08575	9.4
291.19672	0.3
291.26804	0.9
309.09619	1.3
309.20380	0.3
309.27734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
55.01856	0.6
55.05509	0.8
55.84253	0.3
57.03426	2.0
58.43072	0.5
60.84044	0.4
61.02916	0.8
65.03911	0.4
67.05487	1.1
69.03426	5.8
69.07057	0.7
70.15149	0.3
71.04993	3.0
71.52840	0.5
73.02901	0.6
75.04462	1.0
79.05495	0.5
81.03415	10.1
81.07038	0.9
83.04959	1.0
85.02897	15.2
87.04475	0.5
91.05479	10.9
93.07062	0.7
95.04949	0.7
95.08608	0.6
97.02894	1.8
99.04430	1.0
101.57674	0.4
105.07018	0.8
107.04965	0.7
107.08593	0.7
109.02869	3.7
109.10143	1.1
111.04447	0.5
119.04932	27.9
119.08561	1.5
121.10163	0.4
121.44635	0.3
123.04435	0.3
123.08116	0.6
124.07635	0.6
126.07169	0.4
127.03908	2.6
129.05446	1.4
147.04398	100.0
147.08052	1.7
148.04750	1.8
150.23665	0.4
165.05469	3.8
249.07222	0.4
277.08591	0.7
291.08600	6.8
309.10016	1.3
309.13770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.1
55.01858	7.3
55.05512	12.3
56.10623	2.3
56.96562	37.6
57.03431	18.1
57.99738	2.5
59.04980	3.1
61.02916	16.8
68.99757	2.7
69.03424	64.3
69.07041	2.1
70.98100	2.3
71.01354	2.9
71.04972	5.2
71.52417	3.5
71.52799	2.5
73.02908	19.7
73.06540	9.3
79.05500	2.7
81.03408	19.5
83.01883	2.2
83.04972	4.0
84.96011	4.4
85.02900	100.0
87.04457	9.0
88.99127	3.2
91.03944	6.0
91.05463	4.4
91.25034	2.6
93.07001	2.6
94.06535	4.1
94.72330	2.4
97.02289	3.4
97.02879	48.8
98.97578	58.1
99.04439	12.0
99.08093	2.8
101.00871	4.3
101.02349	3.4
107.04972	3.0
109.02879	9.8
109.06613	2.3
110.97533	5.4
115.03909	5.7
116.97812	3.9
116.98605	50.6
119.01893	16.4
119.04918	8.5
121.06486	2.8
123.02950	3.0
123.04414	7.7
127.03908	41.0
128.98569	11.5
130.08624	3.9
131.00179	3.6
131.01881	6.7
131.05597	4.7
133.01709	3.9
133.03378	3.3
134.99652	24.3
135.04388	5.5
137.02888	3.7
137.05960	8.5
139.03894	8.5
140.04042	2.9
143.00183	3.1
143.01886	26.6
144.02000	3.0
145.01682	4.7
145.03502	4.2
145.04955	13.9
145.06268	2.5
146.04102	3.4
146.06001	5.1
146.99641	13.7
147.01405	2.4
147.03116	8.1
147.04410	9.7
147.05664	19.8
149.06586	3.6
150.05466	12.8
155.01839	6.6
155.04634	7.4
158.99631	14.9
161.01270	6.6
161.02931	40.3
161.04408	3.6
162.03050	5.6
162.99135	2.7
163.02690	6.0
163.03954	7.4
165.00743	6.6
165.04311	3.6
167.01988	2.8
168.01773	4.8
168.05365	3.5
170.05151	5.5
170.99634	3.7
173.01451	3.5
173.02969	11.8
173.06615	9.4
174.06654	2.5
175.04562	2.8
177.00691	29.1
177.02217	3.8
177.04251	7.9
177.05948	7.4
179.07004	3.1
180.06316	4.8
183.80077	2.7
185.02937	5.2
185.04601	2.4
185.06595	7.8
188.96953	3.2
189.00618	5.1
189.04279	5.9
189.06712	3.1
190.05043	2.4
190.06639	2.7
191.02280	2.8
191.05887	3.2
192.04620	9.2
192.06415	5.3
195.01495	3.1
195.05200	6.8
195.06856	4.9
197.01256	4.5
200.02240	2.8
201.00604	3.6
203.03952	5.2
203.07605	8.2
205.00171	5.2
205.07582	2.2
210.07414	3.0
215.07700	4.2
219.01776	9.3
219.05212	5.3
219.07880	33.3
219.57973	7.1
221.04916	6.2
223.01187	4.3
227.02129	3.7
227.06854	2.2
228.07565	7.9
236.98978	3.3
237.02832	18.9
237.05901	2.6
242.03366	5.6
245.04993	3.1
247.06075	4.3
255.00047	5.6
258.04947	2.8
275.09692	13.8
291.07486	8.9
293.10803	43.1
294.10870	9.3
307.03445	5.0
309.08453	38.3
309.11572	4.4
310.08878	3.7
332.10025	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1119
Annotation	Sterequinone E
Peak:m/z	Relative Intensity
51.02370	0.8
53.03928	1.0
55.01825	0.5
55.05500	1.9
57.07069	1.2
61.73531	0.4
67.05505	2.5
69.03410	1.3
69.07054	1.7
69.47496	2.9
71.08630	0.5
74.57159	0.4
76.43190	0.5
77.03915	0.7
79.05486	7.0
81.03401	1.3
81.07059	5.1
83.04990	0.5
83.08598	1.3
85.02889	1.3
91.05486	6.4
93.07026	3.0
95.04954	2.4
95.08611	4.2
97.06538	0.6
97.10146	1.1
105.03381	1.6
105.07020	2.0
107.04972	1.1
107.08582	1.7
109.02872	0.6
109.06532	0.8
109.10142	2.8
111.04409	0.6
111.08044	0.5
111.11626	0.6
119.04930	5.4
119.08553	1.9
121.06433	0.9
121.10126	1.4
123.08012	0.9
123.11686	0.8
124.51235	0.4
128.06210	3.5
129.06995	23.2
131.04953	0.7
131.08566	1.0
133.10118	0.8
135.04405	100.0
135.11633	0.9
136.04707	1.1
137.05960	1.1
137.09625	0.7
143.08545	1.3
145.10130	0.5
147.04398	11.5
147.07932	0.6
147.11658	1.1
149.05972	11.7
149.07112	0.7
149.13324	0.6
151.07513	0.9
157.06470	18.5
161.13271	0.7
163.14839	0.6
165.05537	0.8
172.05212	1.4
173.05936	1.3
174.06764	1.0
187.07533	36.4
188.07938	0.7
193.10126	0.7
205.06590	0.7
206.07292	0.7
209.06059	1.0
210.84200	0.4
218.07214	0.5
219.08076	0.9
221.09644	1.4
222.06700	0.8
223.07318	0.5
234.06801	2.0
235.07417	0.5
235.11249	0.8
237.05585	0.6
239.10762	0.7
249.09131	2.3
249.12666	0.5
251.10799	1.2
252.11455	0.7
263.20050	0.7
265.08719	0.6
266.09311	0.5
266.13232	0.8
277.08472	4.1
278.09351	0.9
279.10187	1.1
280.07300	1.0
281.11646	1.2
281.15201	0.9
291.19568	0.9
294.08899	1.2
295.09497	0.5
309.11206	18.4
309.14847	5.5
309.20551	0.5
309.28012	0.7
326.56525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.5
53.03926	1.5
55.05495	2.0
57.03425	0.7
57.07064	1.4
65.82698	0.5
67.05511	4.4
67.57587	0.5
69.03440	1.3
69.07065	4.5
69.92306	0.4
70.09079	2.4
71.04976	1.2
71.08627	0.8
79.05483	7.1
81.03400	1.7
81.07050	11.1
83.04955	1.4
83.08614	2.3
85.02884	1.2
85.06540	0.7
91.05474	7.5
91.86896	0.5
93.07033	3.2
94.31490	0.5
95.04964	2.1
95.08603	7.4
97.06569	0.8
97.10162	2.0
102.77369	0.5
105.03395	1.7
105.07006	2.1
107.04945	0.9
107.08565	2.9
109.06509	1.0
109.10163	4.6
111.08070	0.8
111.11663	0.7
113.10329	0.6
115.05470	0.9
119.04950	5.9
119.08569	1.6
121.02867	0.6
121.10131	1.9
123.08080	0.7
123.11694	2.1
128.06224	2.4
129.06998	26.5
131.08557	1.3
133.10126	1.1
135.04405	100.0
135.11658	1.2
136.04759	1.0
137.05942	0.8
137.13194	0.7
144.05666	0.6
145.10081	0.7
147.04405	14.9
147.08057	1.5
147.11678	0.9
149.05968	11.6
149.13322	1.2
151.07489	0.8
157.06474	18.9
158.06923	0.7
163.07402	0.6
165.07013	0.8
172.05142	1.2
173.06009	1.9
174.06801	1.3
187.07529	38.3
189.07005	0.6
191.74561	0.7
198.09137	0.6
206.07285	1.5
209.05904	1.0
211.11362	0.6
221.09647	2.3
222.06799	0.6
223.07811	0.6
234.06773	2.1
237.05528	0.8
249.09111	3.6
251.07115	0.9
251.10616	1.0
262.06311	1.0
277.08624	3.8
278.13120	0.5
279.10178	1.0
279.13690	0.6
279.33008	0.6
280.07385	0.9
281.11853	2.0
291.08698	0.9
291.13739	0.8
291.19562	1.1
294.08990	1.1
294.43188	0.6
309.07745	0.7
309.11227	19.6
309.14835	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12420	1.0
51.41917	1.1
53.03931	1.9
54.31776	1.1
55.01844	1.6
55.05493	2.7
57.03434	10.9
59.04992	2.3
61.02905	3.0
64.27978	1.1
65.03931	1.5
67.05494	1.7
69.03430	5.4
69.03750	1.1
69.49838	5.8
69.50265	3.7
71.01344	2.3
71.04984	25.1
73.02892	4.5
74.71706	1.0
75.04463	9.9
76.51102	1.4
81.03409	10.3
81.07041	1.4
83.04999	6.9
85.02896	100.0
87.04474	2.3
91.05462	12.1
93.07031	1.5
95.04929	2.6
95.08557	1.0
96.84759	1.3
97.02892	7.2
97.06547	1.1
98.97538	2.2
99.04437	2.5
101.06003	1.7
105.07014	2.7
109.02867	5.6
109.10145	2.9
109.28247	1.1
111.04434	2.7
117.06992	1.3
118.80824	1.1
119.04932	19.4
119.08549	4.8
124.07557	1.6
127.03903	5.9
129.05460	21.1
137.09628	1.6
145.04945	2.0
147.04396	81.8
147.06480	12.2
147.07974	3.3
149.05731	1.1
153.12796	1.4
161.06004	1.4
165.05475	3.7
165.09074	1.9
165.41148	1.2
177.05400	1.5
189.80945	1.2
249.08966	1.0
263.07126	1.4
277.08466	1.8
291.08624	5.4
309.11063	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	309.2055
Annotation	Albocycline
Peak:m/z	Relative Intensity
55.01863	3.8
55.05490	7.7
57.03427	31.9
57.07068	3.1
67.05499	26.1
69.03407	2.2
69.07054	6.1
70.53790	4.6
70.54182	6.7
71.04989	5.4
79.05486	14.0
81.03397	2.5
81.07046	18.0
85.06531	36.2
91.05480	15.5
93.07040	10.3
95.04960	36.0
95.08595	8.6
97.06501	3.7
105.07021	10.8
107.04942	3.0
107.08598	11.3
109.06497	43.8
109.10149	4.0
113.05990	100.0
114.06398	2.4
117.07014	5.8
119.04916	3.4
119.08553	7.1
121.06429	2.3
121.10136	5.1
123.07989	3.6
129.06989	4.9
131.08569	8.6
133.10107	5.8
135.08018	34.0
135.11679	2.9
143.08633	4.3
145.10075	5.1
147.04378	9.1
149.09624	3.8
157.10143	2.5
161.09557	4.0
162.96518	2.4
171.11789	2.7
183.11697	2.4
217.15817	16.0
248.86539	2.4
273.18466	13.9
277.08640	3.2
291.19504	41.9
309.11069	5.1
309.14651	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	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.92852	1.6
53.03928	5.6
55.01864	31.6
55.05506	17.3
57.03418	3.5
57.07062	5.7
59.04972	2.4
59.15251	1.6
65.03937	3.1
66.59788	1.4
67.05500	35.9
69.03419	4.9
69.07071	18.6
69.87918	3.2
69.88328	6.4
71.04978	3.6
71.08622	3.3
73.35755	1.5
75.77804	1.4
79.05492	20.4
81.03408	13.8
81.07055	40.4
82.07366	4.1
83.04974	34.0
83.08604	6.8
85.02901	3.8
85.06561	3.1
85.10160	2.6
91.05475	25.6
93.03411	2.2
93.07040	21.0
95.04964	19.2
95.08607	28.0
96.08923	3.7
97.02885	1.7
97.06521	21.9
97.10161	8.3
98.20731	1.8
99.04432	18.5
105.07037	13.3
107.04932	8.7
107.08582	16.3
109.02876	2.8
109.06513	9.5
109.10143	16.2
110.06876	1.5
110.10515	1.8
111.04432	100.0
111.08078	5.0
111.11703	2.0
117.07007	7.6
119.04923	17.7
119.08575	11.5
121.06509	4.1
121.10146	10.2
123.04411	3.1
123.08030	7.3
123.11691	5.8
125.09651	3.8
128.06229	1.5
129.06996	3.5
131.08539	7.4
133.06500	3.2
133.10124	10.9
135.04401	5.1
135.08034	4.7
135.11678	6.7
137.05923	2.1
137.09573	7.9
137.13237	2.5
139.11125	2.3
141.06932	1.6
143.08536	2.8
145.10072	4.6
147.04402	56.5
147.08029	7.6
147.11693	4.4
148.04727	3.5
149.09608	6.6
149.13281	2.9
151.11174	4.0
153.09094	19.5
155.10701	1.6
157.10121	4.0
159.11673	4.2
161.09637	8.3
161.13275	2.1
163.11183	2.2
163.14749	1.4
165.05453	3.8
165.06860	1.7
165.09142	3.1
165.12675	2.4
171.11632	1.8
173.11722	3.4
175.11211	5.7
177.05537	2.0
177.12779	1.7
179.10725	2.4
187.07481	2.3
189.12785	2.5
190.07533	1.5
193.12254	4.3
199.14745	2.0
206.07251	3.6
217.15942	1.6
221.09564	3.3
221.15364	2.8
227.17943	2.1
234.06689	7.0
235.07538	2.3
235.13158	1.9
249.09152	8.7
249.14865	1.8
251.07135	1.9
255.17412	3.9
262.06171	2.4
263.20010	4.9
266.09360	2.4
267.15976	2.0
273.18494	12.6
277.08560	16.9
278.09189	2.6
281.11700	3.8
291.08749	2.1
291.19540	29.6
294.08789	4.5
309.07623	2.8
309.11154	21.7
309.14804	3.5
309.20642	16.8
310.11493	2.4
326.97186	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
55.01868	11.3
55.05503	12.6
57.03433	10.0
57.07070	18.7
67.05505	12.8
69.03414	4.1
69.07064	22.4
69.87954	6.2
71.04977	2.6
71.08630	16.6
73.85423	1.2
79.05479	7.0
81.03417	16.2
81.07048	20.0
83.04975	2.2
83.08611	13.7
85.10187	9.3
91.05460	4.8
93.07037	8.6
95.04950	5.4
95.08603	15.5
97.02892	7.8
97.06522	2.5
97.10191	6.0
99.04418	3.1
105.07008	4.7
107.04913	1.2
107.08577	6.0
109.02872	15.2
109.06491	3.7
109.10151	6.8
111.04427	6.4
111.08072	2.4
111.11709	3.4
115.03940	9.5
119.08562	3.8
121.10129	5.8
123.04452	9.6
123.08052	2.1
123.11694	5.1
125.09550	1.2
127.03912	100.0
131.08548	2.1
133.10124	4.0
135.08037	1.6
135.11678	3.5
137.09576	1.8
141.05440	6.6
145.04909	1.6
147.04343	1.3
147.08080	1.5
147.11688	2.1
151.07535	2.1
155.06982	3.6
161.13361	1.5
165.09164	2.4
169.08585	4.7
176.60103	1.4
183.10172	3.9
197.11716	4.7
205.19504	4.0
211.13257	6.9
215.17964	2.2
221.22513	1.8
224.72823	1.3
225.14769	2.9
239.16364	5.8
245.22681	3.4
253.18097	3.7
263.23666	3.4
269.39154	1.4
291.23160	5.2
309.24228	21.9
313.78201	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2784
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03938	2.5
55.01867	2.1
55.05505	27.6
57.03432	2.9
57.07070	31.5
59.04993	2.6
61.02923	1.9
65.03931	3.3
67.05498	43.3
69.03415	7.5
69.07059	51.6
70.05230	2.5
70.05621	2.7
71.04980	4.2
71.08624	20.3
79.05483	25.6
79.05920	2.3
81.03412	11.9
81.07046	93.7
82.07333	2.3
83.04992	6.1
83.08610	32.2
85.02906	7.4
85.06541	3.7
85.10175	7.0
91.05463	30.8
93.07028	36.1
95.04977	6.2
95.08595	90.3
97.02888	2.2
97.06523	4.7
97.10155	18.8
99.04460	1.9
99.08103	1.8
105.07019	29.4
107.04948	1.5
107.08583	27.8
109.02836	6.1
109.06496	9.4
109.10146	50.2
110.10509	2.3
111.08061	7.5
111.11722	8.5
113.13283	1.4
117.07035	1.9
119.04931	32.5
119.08562	22.9
120.05222	1.2
121.10132	17.9
123.08088	6.4
123.11687	19.8
125.09623	3.2
125.13285	3.3
127.03917	1.8
127.07568	12.1
131.08531	1.6
133.10129	18.9
135.11676	16.8
137.09593	6.2
137.13232	10.4
139.11162	4.0
141.09108	2.6
145.10214	2.0
147.04390	100.0
147.08047	5.2
147.11659	21.7
148.04752	5.1
149.09581	1.1
149.13223	10.6
149.80984	1.3
151.11162	5.4
151.14816	5.2
153.12698	1.6
155.10675	4.1
161.13226	14.0
163.03868	1.5
163.14786	6.1
165.05467	3.3
165.09230	1.2
165.12756	6.1
165.16386	3.1
171.47221	1.1
175.14813	5.4
177.16379	4.8
179.14291	2.3
179.17920	2.2
189.06953	2.0
189.16408	5.4
191.17912	3.0
200.60127	1.4
203.17921	2.9
205.06451	2.7
206.07249	2.9
217.19484	4.9
221.09630	1.9
223.07498	2.3
234.06772	5.5
235.07501	2.4
247.24132	2.4
249.09137	4.1
251.07088	1.4
262.06268	1.4
263.06885	1.4
270.68057	1.4
273.25729	22.9
277.08554	10.5
278.09210	2.3
281.11624	6.8
291.08435	6.4
291.23578	2.0
291.26764	18.9
292.27136	1.7
294.08707	2.3
309.11215	12.6
309.27875	25.6
310.11752	4.1
324.30453	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2782
Annotation	Viteagnusin D
Peak:m/z	Relative Intensity
53.03942	3.9
55.05501	36.5
57.03422	2.8
57.07064	26.4
65.23441	1.7
67.05491	42.0
69.03432	2.0
69.07060	53.1
70.16502	7.9
71.04999	8.2
71.08624	14.2
79.05486	23.7
81.03415	3.6
81.07043	100.0
81.93851	1.5
83.04981	3.3
83.08607	34.4
85.06509	3.8
85.10186	5.4
91.05470	17.9
93.07030	42.6
95.04955	12.8
95.08593	97.8
96.08916	2.1
97.06517	4.4
97.10150	18.1
99.08101	2.0
105.07010	26.2
107.08576	29.1
109.06501	5.0
109.10139	46.7
111.08079	5.2
111.11709	10.5
113.53683	1.6
119.04955	4.7
119.08556	16.1
121.10130	22.3
123.08044	10.3
123.11688	30.8
125.09629	3.7
125.13220	2.8
127.07457	2.0
133.10120	16.7
135.11671	14.7
137.09599	10.1
137.13237	11.7
139.11143	2.9
141.09084	2.8
147.04385	21.3
147.11662	20.2
149.13220	16.2
151.11223	2.7
151.14795	6.1
152.53906	1.8
155.10655	4.9
161.13225	15.8
163.14844	10.8
165.05530	2.3
165.12645	7.9
165.16394	3.6
172.58278	1.7
175.14854	5.2
177.16374	5.7
177.50563	1.5
179.17941	3.7
189.16388	5.8
191.17929	5.0
203.16193	1.8
203.17979	5.9
205.80751	1.5
206.07211	2.2
217.19511	5.7
226.65678	1.6
234.06744	2.8
247.24104	2.0
249.09184	2.8
262.06094	1.6
271.77643	1.6
273.25732	26.7
277.08661	4.6
291.26770	22.5
292.27502	1.9
309.11407	3.0
309.27795	23.7
310.11758	2.1
310.28345	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96579	4.6
57.03415	3.9
57.07074	5.7
61.02910	3.5
67.05484	10.1
67.31484	3.5
68.42704	3.6
69.03425	13.3
69.91872	10.3
69.92290	10.7
71.04978	4.4
78.01797	6.0
79.05492	5.1
81.03399	9.2
84.04514	7.6
85.02893	47.6
85.06554	6.4
86.03204	3.6
86.09673	3.8
87.04433	4.1
93.07060	5.9
95.04951	16.1
96.70998	4.0
97.02886	9.2
98.97595	4.2
99.04446	4.9
113.05991	35.9
116.00056	3.8
116.98602	4.8
119.07426	3.6
127.03947	17.5
131.07030	100.0
145.04968	13.8
147.04404	4.1
163.03908	5.6
163.05983	6.8
166.04829	4.3
177.05417	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	310.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03371	0.6
59.04942	0.7
69.06999	0.8
79.05418	1.2
83.08536	1.0
91.05394	2.7
92.97732	0.6
98.95026	0.6
102.04625	0.5
104.52857	0.6
105.06961	0.6
111.85693	0.6
115.05351	0.6
117.06970	0.7
119.04865	0.7
120.05595	0.8
128.06207	0.7
135.08035	63.4
136.08348	1.3
137.05899	1.3
145.06482	3.5
149.08591	0.7
149.09604	9.3
151.07408	0.8
165.06915	0.6
166.07671	0.8
167.69812	0.6
173.05930	3.1
173.09514	0.7
175.07472	1.5
178.07597	0.7
179.08478	1.0
188.08307	8.7
188.77060	0.6
189.06970	1.1
189.08833	1.1
190.07651	0.9
191.08447	1.7
192.09323	1.8
193.10078	1.3
195.07968	2.4
197.05913	0.6
202.07675	2.1
202.57895	0.6
203.08540	7.2
204.09328	8.1
205.06422	1.9
205.10080	2.2
207.07997	1.8
207.11630	1.7
209.09552	2.6
211.07561	6.7
215.08418	1.3
217.06534	0.8
217.10072	1.6
218.07220	0.7
219.08195	3.1
219.11639	11.7
220.08763	8.2
221.09563	5.8
223.07478	2.1
223.11087	1.0
224.08203	2.0
224.11765	1.1
225.09029	2.6
226.09697	0.9
227.85728	0.8
229.18237	0.7
231.08046	3.2
232.08797	6.4
233.05864	1.6
233.09618	5.7
234.06715	1.3
234.10283	2.1
235.11151	25.7
236.11806	1.9
237.09061	7.2
238.09850	7.3
239.06963	4.3
239.10612	1.7
239.55389	0.7
240.07814	0.7
245.09630	0.7
246.10269	1.4
247.07463	1.4
247.08391	1.0
247.11169	17.6
248.08302	7.9
248.11932	4.2
249.09082	14.9
249.12540	1.8
250.09686	0.9
251.07013	2.2
251.10620	2.3
252.07802	0.8
252.08968	0.6
252.11380	5.0
253.08607	1.4
253.12268	1.2
254.09335	14.8
255.09901	1.0
262.09869	2.2
263.10645	29.9
264.11417	24.5
265.08569	8.0
265.11829	1.7
266.09396	4.7
267.10074	2.8
267.13733	3.0
268.10971	3.1
269.11740	3.3
277.12225	2.6
278.12979	4.7
279.10336	2.2
279.13745	36.0
280.10977	16.0
280.14120	2.7
281.08826	1.1
281.11676	12.7
282.12207	1.5
293.15326	1.8
294.12497	0.7
295.13248	100.0
296.13525	3.7
309.14841	1.9
310.15591	37.3
311.16165	4.5
311.25827	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22171	12.4
52.27281	12.4
55.05502	21.6
57.07058	30.5
59.05019	16.4
64.30161	13.1
67.05486	38.4
69.07092	14.5
70.03548	71.2
79.05488	65.6
81.07053	58.4
82.20300	13.5
91.05476	61.0
93.07035	100.0
95.08581	32.2
96.89031	14.0
105.07024	74.1
107.08607	46.2
109.10143	20.4
111.04447	18.7
117.06993	21.0
119.08572	45.6
121.10203	21.2
126.42483	15.1
131.08604	19.6
133.10101	70.3
133.83925	13.6
135.11673	33.1
136.06166	15.3
137.05962	21.7
147.11665	20.8
151.07600	19.9
161.13239	15.3
191.10701	17.7
209.11684	77.5
237.11266	57.1
267.10046	22.2
311.12891	89.0
311.16278	26.8
311.20084	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79001	0.8
53.03936	1.4
55.01855	1.4
55.79955	0.7
57.03436	1.0
57.40976	0.8
67.05467	1.4
69.03415	4.0
69.07058	0.9
69.51012	6.4
79.05484	10.3
81.03431	4.3
81.07041	5.0
83.04953	0.9
85.02873	1.6
91.05470	7.4
93.06479	1.3
93.07038	14.2
94.04169	4.3
95.04938	2.4
95.08617	0.9
98.21513	0.9
99.04449	1.3
103.05470	1.7
105.03338	1.1
105.07011	9.8
106.76590	0.9
107.04945	2.6
107.08599	2.2
109.02868	1.9
109.06509	4.7
109.10133	1.4
111.04469	0.9
115.05435	3.6
116.06239	1.3
119.08530	2.2
121.06491	2.5
121.10130	10.8
122.03642	10.4
123.28671	0.8
127.03855	2.1
128.06192	2.1
129.06979	6.0
131.04929	2.2
131.08543	1.9
133.06491	5.1
137.05960	100.0
138.06268	1.5
143.04898	0.9
143.05962	1.1
144.05695	4.2
145.06509	1.6
147.04376	1.9
147.07980	1.0
149.04922	1.3
149.05981	7.0
149.09590	14.8
151.03899	1.1
151.07558	1.3
155.04907	7.3
156.05527	1.1
159.08049	9.9
161.04640	1.2
161.05957	15.4
163.07593	1.5
165.06941	4.0
167.10605	2.0
169.06477	0.9
172.05141	3.3
175.07500	3.4
177.06937	1.0
179.08580	2.1
180.09308	1.0
187.07515	32.2
188.08084	0.9
189.06984	7.1
189.08929	1.7
190.07761	25.9
191.08530	48.1
192.08958	2.1
195.08119	1.6
201.07025	1.0
202.07770	2.5
203.08472	2.4
205.06390	1.8
207.08086	6.5
208.08815	7.3
209.09509	1.5
217.06386	1.1
218.07249	15.7
219.08026	64.2
220.08682	8.8
221.06010	2.6
221.09431	1.0
223.07578	1.1
223.11198	1.3
225.09036	2.1
233.09573	2.2
235.07489	7.7
236.08301	12.3
237.08977	3.0
246.06792	1.6
247.07513	28.4
248.08170	4.2
250.06488	0.9
250.09795	1.4
251.10643	95.6
252.11017	2.9
253.08571	5.6
261.09009	4.0
263.07013	2.1
264.07727	9.3
265.08594	3.5
268.10785	1.2
278.09424	1.4
279.10132	73.3
280.10736	8.1
281.08047	8.5
283.13184	2.1
296.10425	11.7
311.12717	65.3
312.12924	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	311.1486
Annotation	Bidenoside C
Peak:m/z	Relative Intensity
51.02377	0.8
53.03941	5.6
55.01862	1.2
55.05500	2.2
57.03419	2.3
59.25875	0.6
61.02921	0.8
61.97170	0.5
64.59763	0.7
65.03922	1.7
67.05497	5.2
69.03083	1.0
69.03424	13.0
69.07064	0.7
69.47765	5.1
71.04973	1.5
79.05486	27.4
81.03413	20.4
81.07052	5.5
83.04965	2.2
85.02897	9.0
89.18409	0.6
91.05476	11.9
92.05829	0.7
93.03381	3.2
93.07034	66.0
94.07339	1.3
95.04959	3.6
95.08600	2.6
97.02887	5.0
97.06523	0.8
99.04465	2.2
103.05465	1.3
105.04565	0.8
105.07018	9.2
107.04969	3.7
107.08604	4.0
107.48677	0.6
109.02866	7.2
109.06479	0.8
111.04449	4.4
119.04961	0.9
119.08574	2.2
121.05692	0.7
121.06512	2.7
121.10131	30.8
122.10480	1.0
123.08067	1.8
125.05953	2.1
127.03902	5.1
131.08560	4.4
133.06528	0.8
133.07616	1.0
133.10086	0.7
134.95053	0.6
137.05983	4.0
147.04419	2.2
148.04759	1.5
149.09604	100.0
150.09933	3.0
150.72491	0.6
161.05916	1.1
167.10663	9.2
187.07492	1.2
190.07773	1.1
191.08577	1.7
219.07997	2.5
236.08385	0.9
247.07521	0.8
251.10699	3.2
267.10474	0.6
273.40485	0.7
279.10101	2.7
280.10632	0.9
293.13837	11.6
311.09210	0.9
311.12610	4.6
311.15179	3.0
312.12448	1.3
334.35992	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15751	1.1
53.03943	6.8
55.01865	2.0
55.05517	5.5
57.03423	3.9
59.42953	0.9
67.05498	3.3
67.99982	0.9
69.03078	1.6
69.03423	18.7
69.66061	7.2
71.04971	2.4
71.71844	0.8
79.05485	39.6
81.03410	22.2
81.07050	5.7
85.02895	13.4
91.05473	23.0
93.07034	100.0
94.04176	1.4
95.04955	7.3
95.08591	4.7
97.02892	7.7
98.98442	3.1
99.04456	2.5
103.05435	2.9
105.07012	16.1
107.04948	3.3
107.08578	23.3
109.02872	9.0
109.06503	2.7
109.10155	1.5
111.04445	1.9
111.08047	2.6
111.76036	0.9
115.05390	1.4
119.04887	1.3
119.08575	13.3
121.06487	3.1
121.10133	81.9
121.15270	1.2
122.03645	4.1
122.10452	1.6
123.04404	1.6
123.08045	2.4
127.03902	5.1
128.06238	1.5
129.07005	2.1
131.04910	1.5
131.08542	9.1
133.06464	2.3
133.07623	1.7
133.10130	2.1
135.04477	1.1
137.05965	27.0
144.05704	1.2
145.06544	1.0
147.04416	2.4
149.04947	1.4
149.05978	2.5
149.09605	39.3
155.04919	2.4
159.08022	2.9
161.05951	4.4
161.09579	1.5
163.11215	1.0
165.05467	1.7
165.15991	0.9
167.10634	6.2
175.07607	2.4
179.08643	1.3
187.07492	8.7
187.11227	1.1
189.06987	2.3
190.07738	6.6
191.08556	14.2
205.06476	1.3
207.08034	2.4
208.08781	2.2
218.07288	4.4
219.08017	16.3
220.08635	2.2
235.07564	3.1
236.08347	4.0
247.07535	10.5
247.13309	1.1
248.08307	1.9
251.10660	24.1
253.08649	1.8
264.07837	3.2
265.08694	2.0
267.10251	1.2
279.10095	15.8
280.10818	2.1
281.08047	2.3
293.13733	7.4
296.10318	3.0
311.09177	2.2
311.12451	20.4
312.12912	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1639
Annotation	Picealactone A
Peak:m/z	Relative Intensity
51.44912	1.0
53.03918	1.9
55.01836	1.3
57.07055	4.3
65.03934	1.1
67.05476	2.8
69.03410	3.4
69.07036	1.5
69.99311	5.2
70.05280	1.0
76.75578	0.9
77.03914	1.0
79.05482	5.5
81.07049	4.9
83.04964	2.4
87.72704	1.0
88.79539	0.9
91.05470	8.8
93.07005	3.5
94.04167	1.4
95.04947	3.6
95.08578	2.8
98.21528	0.9
105.03352	1.1
105.07001	10.3
107.04919	1.9
107.08583	2.8
109.06491	1.9
111.04409	3.3
115.05444	1.6
116.04621	1.2
116.06245	2.0
117.07032	6.7
119.08553	4.4
121.06479	3.7
122.03658	1.7
125.05936	1.4
126.46233	1.0
129.06990	2.5
130.07780	4.8
131.04947	1.4
131.08528	3.6
133.06508	1.9
135.04375	1.9
135.08107	1.3
136.05173	2.3
137.05965	1.9
145.06473	1.8
145.10106	16.8
146.07217	2.7
150.06721	3.1
151.03897	21.8
151.05000	1.6
151.07516	33.5
153.05472	1.9
155.07014	2.5
155.08562	2.1
158.07227	2.9
159.08014	2.1
161.06001	1.9
163.07515	2.3
163.11162	1.1
165.05461	66.6
165.06772	2.9
165.09073	13.0
165.10327	1.6
167.08571	1.4
173.09622	6.1
174.06770	2.4
175.07500	4.2
176.08206	1.9
177.09030	2.0
178.07755	1.3
179.08537	4.0
180.09392	1.6
181.04892	1.7
181.06339	1.6
181.10068	1.6
182.07294	1.6
183.08008	1.5
188.08226	1.7
189.09074	4.8
190.07852	1.0
190.09773	2.1
191.06940	1.4
191.08530	1.6
191.10631	2.7
193.10056	2.4
194.07257	2.5
195.07986	5.5
195.11656	1.0
196.08675	2.6
197.09592	3.7
198.10371	1.1
201.09103	2.9
203.10571	2.3
205.10217	1.7
207.08057	2.6
207.11624	2.0
208.08798	5.7
209.09557	12.8
209.11691	12.6
210.10342	3.7
210.76665	1.0
211.07480	2.5
211.11172	3.1
212.08379	1.7
214.09877	1.4
215.10730	2.0
221.09508	1.5
222.10306	3.7
223.07687	1.1
223.11174	19.3
224.08321	1.5
224.11855	5.3
225.09091	8.6
225.12553	1.3
226.09802	2.6
227.10599	3.8
228.11502	2.0
235.11148	2.1
236.08330	1.6
236.11928	1.8
237.10774	9.1
237.12949	3.9
238.09833	1.6
238.13499	13.4
239.10672	8.9
240.11324	6.5
241.08583	1.3
241.12198	5.0
247.11169	3.2
248.08031	1.4
251.10571	3.0
251.14229	2.0
252.11591	1.5
252.14954	3.0
253.12173	6.2
254.13017	7.1
255.13927	14.3
262.13480	3.3
263.10703	1.9
265.12134	1.4
266.09348	1.4
267.10138	3.6
267.13568	1.2
268.14441	1.7
269.12280	1.1
269.15314	26.1
278.12839	3.1
279.10156	1.1
282.12390	1.2
283.16925	19.5
293.15247	5.2
294.21164	1.5
296.10355	1.6
296.13849	1.4
311.12799	9.5
311.16345	100.0
312.16675	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	311.1637
Annotation	Spiranthol A
Peak:m/z	Relative Intensity
55.01864	7.0
55.05268	2.6
55.05507	33.7
57.03436	12.4
57.07067	12.2
67.05499	8.5
69.03428	2.5
69.06724	3.1
69.07063	36.6
70.09771	7.9
71.08618	9.0
73.02906	5.8
73.70913	1.7
75.04456	5.0
79.05482	12.3
81.07062	9.7
83.04951	2.2
83.08611	22.9
85.10181	2.4
91.05481	13.4
93.07031	18.0
93.18794	1.8
95.04971	3.1
95.08597	6.7
97.06502	3.0
97.10171	17.0
105.07018	10.4
107.04941	4.3
107.08578	13.6
108.05717	1.9
109.06510	2.6
111.11715	6.1
115.05468	5.3
117.07013	14.2
119.08630	5.2
121.06509	2.8
121.10117	4.7
123.11636	2.0
128.06255	2.3
130.07788	5.0
131.04936	3.3
131.08533	2.2
132.05731	2.5
133.06493	2.1
135.04385	3.0
135.11642	2.1
136.05197	4.1
137.06020	2.0
144.05751	2.7
145.06493	6.9
145.10094	10.5
146.07256	8.4
147.04419	1.9
149.02509	1.9
151.07532	36.7
153.06941	2.5
157.06519	2.2
158.07315	5.6
160.05165	2.0
161.05986	5.4
163.07556	7.4
165.05481	16.4
165.06989	6.9
165.09100	4.7
166.07840	3.2
167.08542	2.5
169.06386	2.1
172.08784	3.4
173.05940	2.9
173.09619	10.4
174.06732	5.2
175.07553	8.4
177.09122	11.2
178.07802	4.0
179.07021	5.4
179.08534	4.5
180.09303	4.5
181.06593	1.8
181.10097	5.9
182.07329	3.4
183.08076	3.4
184.08926	2.1
185.09631	2.1
188.08318	4.8
189.09114	19.4
190.06271	4.8
190.09761	3.1
191.08620	2.5
193.06419	2.8
193.10136	5.5
194.07187	3.9
194.70033	1.8
195.08041	10.9
195.11734	2.1
196.08812	2.5
197.06035	3.2
197.09706	9.9
199.07399	1.9
200.08380	1.8
203.06940	2.4
203.10583	9.9
205.08548	28.3
207.08041	2.8
208.08791	10.7
209.09605	37.0
209.11609	4.1
210.06750	2.8
210.10370	4.7
211.07512	7.7
211.11166	3.1
213.09023	2.2
215.10678	4.6
217.08568	5.4
218.09337	3.8
219.11838	2.5
221.09531	3.9
222.10423	2.9
223.07610	4.2
223.11162	24.9
224.08406	3.7
224.11931	37.1
225.09026	20.2
226.09891	7.8
227.10686	5.0
233.09793	1.8
235.11243	2.5
237.09102	2.7
237.12790	3.3
238.09784	3.7
239.10674	14.8
240.11412	20.5
241.08594	3.7
241.12103	5.1
243.10289	2.5
246.10400	2.1
247.11197	6.2
249.09117	3.9
250.09998	2.1
251.10730	9.2
251.14333	2.7
252.11461	2.5
252.15036	5.0
253.12248	7.2
254.09256	3.2
254.13011	5.2
255.10379	6.3
255.13785	100.0
256.10974	3.2
256.14154	4.2
261.12866	2.1
262.13531	6.4
263.10806	3.1
264.11337	2.9
265.12158	4.4
267.10065	14.8
267.14056	2.0
268.10919	2.5
268.14572	3.4
269.11749	7.6
270.12167	1.9
277.12372	2.7
278.13098	5.2
279.13766	6.0
280.14630	6.6
281.11844	5.0
281.15173	2.5
282.12512	24.7
283.13364	4.8
283.16959	14.2
284.17041	2.2
293.15289	10.0
296.13956	4.2
311.16379	91.9
311.25803	92.4
312.16812	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2001
Annotation	Menaquinol
Peak:m/z	Relative Intensity
55.05490	5.4
57.07057	7.5
67.05508	12.6
69.07068	20.2
69.75160	4.8
69.75575	6.4
71.08617	4.0
79.05474	5.8
81.06585	3.2
81.07049	48.7
83.08610	2.9
91.05476	4.4
93.07046	9.0
95.08621	10.8
97.10172	2.0
98.20753	2.1
104.27709	1.6
105.07019	2.8
107.08572	5.5
109.10141	10.8
116.06287	1.9
119.04937	2.3
119.08582	2.5
121.10123	4.4
123.11687	38.7
127.81962	1.8
128.06184	4.2
129.06982	5.3
131.08533	1.9
133.06451	4.9
135.04396	2.1
135.11684	5.3
141.07025	2.1
144.05717	4.3
146.07240	2.9
149.05957	1.6
153.05383	2.9
157.06422	2.2
158.07253	3.3
159.08029	17.1
161.09586	11.8
163.07521	2.2
167.94550	1.9
171.08119	2.2
173.09593	6.4
174.06754	6.2
175.07518	3.1
181.10188	2.8
183.08066	2.4
184.65746	1.9
187.07527	16.2
187.11325	2.5
188.08284	3.7
189.09094	100.0
190.09430	3.1
195.11882	2.0
197.09651	3.3
199.11203	2.2
201.09100	14.6
203.10709	6.0
209.09738	3.0
209.11751	9.7
211.11153	3.2
215.10625	9.9
223.11201	3.5
224.11903	2.4
225.09172	4.0
226.09923	2.6
227.10652	9.4
229.12196	25.7
237.11218	7.3
240.11563	2.6
241.12329	4.6
242.12929	2.9
243.13759	14.9
248.59831	1.9
255.13927	13.2
269.15253	2.0
283.16888	5.4
311.12741	4.5
311.20035	79.5
311.25735	5.4
312.13345	2.0
312.20328	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	311.2575
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03930	2.4
55.01863	2.1
55.05505	61.0
57.03157	1.2
57.03430	21.2
57.06792	1.8
57.07065	27.3
67.05494	8.7
69.07059	63.9
69.42734	1.9
69.43145	6.2
70.07398	1.0
71.08627	15.2
73.02915	1.2
73.17863	1.0
79.05479	6.8
80.71455	0.8
81.07047	11.0
83.04945	2.1
83.08607	57.6
85.06529	1.0
85.10181	5.7
93.07023	6.6
95.08591	8.4
97.06501	5.0
97.10155	40.8
98.10506	1.1
99.08038	1.0
101.97829	0.9
104.53853	0.8
107.08578	5.1
109.10112	3.1
111.08069	3.5
111.11714	12.0
121.10117	7.5
123.11697	1.2
125.09588	2.1
125.13244	3.4
135.11665	6.3
137.13222	1.0
139.11157	1.2
149.13246	3.2
154.71338	0.8
163.14851	1.0
177.16370	1.1
201.62979	1.0
219.21075	2.6
237.22099	1.7
311.25763	100.0
312.26083	8.3
314.30511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44607	1.9
50.92657	2.4
53.03946	10.5
55.01857	10.2
55.05260	3.8
55.05503	40.0
56.41176	2.2
57.03433	4.7
57.07072	23.0
65.03914	2.3
67.05499	34.8
68.99760	2.1
69.03428	22.3
69.07063	87.6
69.41556	8.7
69.41982	10.0
71.04983	4.7
71.08616	9.0
75.04489	2.2
77.03923	2.3
79.05489	41.9
81.03409	25.7
81.07051	90.3
82.07384	2.2
83.04990	5.5
83.08138	4.1
83.08610	49.8
85.02904	15.8
85.06547	24.7
85.10188	2.7
91.05465	28.9
93.07038	100.0
95.04959	9.8
95.08601	82.6
96.08920	2.5
97.02882	11.2
97.06523	11.5
97.10167	21.7
98.20755	3.8
99.04468	4.7
99.08083	18.3
105.07015	24.5
107.04944	8.0
107.08576	36.6
109.02865	11.2
109.06512	9.3
109.10142	49.7
111.04441	4.3
111.08087	18.1
111.11730	15.9
113.09632	5.9
115.05464	3.1
117.07056	3.1
119.04939	6.5
119.08580	13.8
119.09329	2.5
120.33714	2.2
121.06506	9.2
121.10133	67.6
122.03605	2.8
123.04420	4.3
123.08040	6.9
123.11702	28.2
125.05999	4.0
125.09638	4.0
125.13280	5.3
127.03913	9.9
129.07018	4.6
131.08571	9.9
133.06538	3.6
133.10133	5.1
135.04395	6.2
135.08044	3.5
135.11699	14.3
137.05971	32.3
137.13197	13.5
139.11168	5.4
143.08588	2.7
143.14276	2.2
145.04991	2.5
145.06480	3.9
145.10107	4.7
147.04388	10.5
147.11700	3.2
148.04762	3.1
149.02364	2.9
149.04912	4.8
149.05998	5.2
149.09602	75.0
149.10756	4.6
149.13210	16.2
150.09930	3.5
151.07602	2.6
151.14836	6.6
153.12643	3.0
155.04846	3.2
159.08061	3.8
159.11745	3.4
161.05984	6.9
161.13155	3.4
163.07562	3.0
163.14832	7.8
165.05515	3.7
165.06963	3.4
167.07008	4.6
167.10675	10.9
167.14328	5.3
175.14780	2.9
179.17914	3.0
187.07562	7.9
189.09108	4.6
190.07800	4.2
191.03395	4.2
191.08568	14.0
191.91074	2.3
195.08083	4.5
197.05907	2.4
199.14824	2.4
207.08189	2.6
209.09651	2.8
218.07335	3.8
219.08043	20.0
219.98370	2.2
220.08730	4.6
235.07452	4.2
236.08195	7.4
237.08926	5.4
237.11150	2.4
240.07704	2.8
247.07585	7.9
249.05542	2.5
250.17970	3.2
251.07008	2.2
251.10628	19.5
253.04958	3.7
253.08524	4.3
264.07889	5.5
265.08469	6.7
268.07214	2.4
279.06879	4.3
279.10101	22.5
280.10760	5.3
281.07898	3.6
283.09668	4.6
293.13821	9.5
293.28342	21.8
296.10181	8.0
297.10281	2.8
311.09131	16.1
311.12741	56.1
311.16101	4.1
311.19861	2.6
311.23486	3.4
311.29443	16.4
312.12741	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	311.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.01868	2.2
55.05508	36.3
57.03432	3.5
57.07070	14.9
67.05500	31.3
67.88829	1.5
69.03416	5.8
69.06676	3.2
69.07061	66.2
69.41662	6.6
69.42097	8.1
71.04986	3.9
71.08622	7.4
79.05485	20.9
81.03416	6.2
81.07047	100.0
83.04976	1.9
83.08604	36.7
83.09103	2.0
85.02892	4.8
85.06532	27.6
85.10185	3.6
91.05479	9.3
93.07031	35.9
93.07617	2.2
95.08598	74.4
96.94106	1.6
97.06533	6.3
97.10156	20.0
98.20768	2.8
99.04460	2.0
99.08083	14.9
105.07017	6.0
107.04961	2.6
107.08581	18.7
109.02846	2.4
109.06497	3.4
109.10146	41.0
111.04464	2.6
111.08073	7.1
111.11709	12.8
113.67818	1.7
118.72724	1.7
119.08578	3.0
121.06474	2.9
121.10130	24.8
123.11691	23.4
125.09567	2.9
125.13252	4.8
127.03880	2.9
127.11095	1.8
130.64816	1.6
131.08563	2.6
135.11703	5.6
137.05965	8.6
137.13249	9.9
139.11171	2.4
147.04410	2.5
147.08063	1.6
147.11642	2.6
149.09601	25.1
149.13246	19.1
151.14830	6.9
163.14862	5.7
165.16331	3.6
167.10776	1.9
167.14311	3.5
179.17839	2.1
180.66853	1.7
184.16937	7.5
187.07538	2.5
191.08556	3.1
219.08029	3.1
226.67577	1.9
236.08313	2.0
247.07622	2.8
251.10683	4.2
253.08919	2.1
257.45477	1.9
265.08582	1.9
266.21078	6.3
275.27417	4.1
279.10104	7.2
281.08163	3.0
293.28503	8.5
294.20633	13.5
311.09143	4.2
311.12738	16.1
311.15887	3.0
311.29398	42.9
312.12451	5.9
312.29907	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1227
Annotation	Cularicine
Peak:m/z	Relative Intensity
58.06580	0.4
65.03938	0.5
67.05503	0.5
67.86224	0.2
69.03423	0.5
71.04154	0.5
71.91396	0.2
79.05474	0.3
81.03416	0.6
91.05449	1.3
93.07043	0.9
94.07394	0.3
103.75262	0.3
105.07024	1.2
107.04940	0.7
111.04498	0.3
119.04970	0.6
123.04405	0.3
126.67180	0.3
131.04900	0.3
133.06538	0.3
135.04411	1.0
137.05942	0.9
138.05527	0.7
149.05968	19.1
150.06316	0.7
151.03888	3.6
151.04990	0.5
151.07532	1.0
152.07057	3.8
157.06384	0.3
163.07497	1.3
176.07042	0.7
189.09035	0.3
221.70140	0.3
236.07021	0.3
236.10675	0.6
238.08691	0.3
250.08702	0.3
250.51187	0.3
254.11702	0.3
264.10059	0.3
266.11746	1.1
278.08078	1.4
279.08829	0.4
282.07745	0.6
282.11182	0.6
283.08398	1.9
284.08783	0.3
294.11276	0.8
296.09152	52.9
297.09903	27.9
298.10376	1.2
312.12265	100.0
313.12582	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	312.159
Annotation	Thebaine
Peak:m/z	Relative Intensity
56.05026	0.5
58.06596	100.0
59.06934	0.7
69.39535	3.3
85.02945	0.5
91.05477	1.7
93.07041	0.9
98.21580	0.7
105.07043	0.8
107.04215	0.6
107.04949	13.2
115.05457	0.6
117.07016	0.7
119.04967	0.7
121.06525	1.3
122.06048	0.4
129.07031	0.5
131.04959	0.8
135.04440	1.8
137.06009	1.6
143.04951	1.3
145.06548	1.7
147.08005	0.4
149.05972	10.9
149.07095	0.6
151.03986	1.2
151.07545	2.0
152.07022	1.9
156.62389	0.4
160.05252	0.5
161.06026	0.7
163.07599	0.7
166.64767	0.4
168.13782	0.4
173.05916	2.2
183.83751	0.4
189.09128	0.7
194.07277	0.5
209.09734	1.2
211.11259	0.7
237.09244	1.7
239.10710	0.5
266.11893	0.6
267.10144	4.7
269.11829	1.7
278.08182	0.7
282.07748	0.5
283.08536	1.1
294.11328	0.7
296.09143	29.1
297.09903	16.9
298.10352	0.9
312.08713	1.3
312.12430	53.8
312.16101	54.9
313.13007	2.3
313.16095	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	313.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01857	1.0
57.03431	0.9
61.02928	0.4
61.83398	0.2
65.03620	0.3
65.03939	4.5
67.05492	1.8
69.03079	0.5
69.03424	5.4
70.85741	0.3
70.86074	0.6
71.01339	0.3
71.04982	0.8
73.02917	0.5
81.03413	12.0
81.07032	0.3
85.02902	5.1
85.03385	0.5
93.03400	2.9
95.04948	1.0
95.75916	0.2
97.02855	1.5
99.04430	1.2
108.02104	2.0
109.02863	4.0
110.03634	0.9
111.04425	5.0
121.06501	1.5
125.05981	4.0
127.03912	1.6
135.50807	0.2
136.01555	0.6
137.05986	0.5
141.05441	3.0
151.03896	100.0
151.04984	8.1
152.04231	1.2
169.04942	5.4
169.34404	0.3
175.07474	0.5
215.77539	0.3
283.13083	0.3
295.08102	7.7
309.55157	0.3
313.09399	1.0
314.17508	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1431
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
53.03930	1.0
55.01875	1.8
55.05504	1.7
65.03925	1.4
67.05486	2.7
69.03413	1.3
69.07065	2.1
69.49734	1.7
69.50141	4.8
71.08598	1.0
73.03327	0.8
78.93669	0.8
79.05477	4.0
81.03416	2.4
81.07048	6.7
91.05464	15.0
93.07037	2.2
94.04181	3.1
95.04953	3.7
95.08597	3.0
103.05457	3.1
105.07016	3.0
107.04947	12.9
107.08566	2.6
109.02876	1.9
109.06504	6.3
109.10158	1.1
115.05448	3.7
117.03405	1.2
117.07009	1.6
119.04968	4.3
119.08573	1.8
121.06506	3.2
121.10112	1.3
122.03625	8.4
123.04402	1.7
123.08094	1.0
123.11666	1.8
128.06203	6.9
129.06023	1.1
129.06998	22.2
131.04941	4.7
131.08568	2.8
133.06468	1.1
133.10081	1.7
135.04390	2.3
135.08058	2.2
136.05133	2.0
137.05962	100.0
138.06302	1.6
143.08554	1.4
145.06468	2.7
145.10143	1.1
146.07271	1.4
147.04376	1.1
147.11694	1.1
149.05946	3.8
149.13251	1.2
151.03889	16.1
151.04950	1.4
151.07521	18.0
151.08659	1.4
152.06203	1.4
153.07004	1.5
157.06470	38.0
157.10152	1.0
158.07109	1.3
159.08058	1.1
159.11766	0.9
160.05238	0.9
161.05908	6.9
161.09586	4.9
163.03868	0.8
163.07527	9.4
165.05534	1.8
165.06992	4.6
167.08563	1.8
171.07982	1.3
171.63628	0.8
173.06007	1.4
174.06763	7.0
175.07550	3.6
177.05499	1.2
177.06985	1.1
177.09077	1.6
178.07724	9.9
179.08556	2.2
181.06497	2.9
182.07225	1.2
183.07953	1.0
189.09085	47.1
190.09509	1.6
191.08540	1.6
192.09303	1.5
193.06490	2.8
193.10124	9.7
195.08069	3.0
196.08917	0.9
197.05931	1.7
202.07799	1.7
203.08583	2.0
203.10385	0.8
205.06487	1.9
206.07289	4.0
207.07881	1.3
209.05986	3.4
210.06754	2.9
211.07532	2.7
213.09044	0.9
219.08026	1.2
220.08736	1.1
221.06015	1.6
221.09561	13.4
223.07591	4.8
224.08350	2.9
225.05493	1.5
225.09087	1.6
227.07048	1.0
231.08098	1.6
234.06772	1.9
235.07314	1.3
237.05502	1.5
237.09065	2.6
238.06255	1.3
238.09831	3.3
239.06940	1.7
239.10606	1.3
239.17819	1.1
240.07774	2.0
241.08612	3.8
249.09132	8.6
252.07831	2.9
253.08583	2.1
253.12228	19.4
254.12714	1.3
266.09418	1.6
267.07211	0.9
267.10172	3.4
267.13907	1.1
269.08054	10.6
270.08875	2.0
271.09698	1.2
272.10486	1.5
281.11725	19.0
282.12390	2.8
283.10025	0.9
284.10315	9.6
285.11038	2.0
298.08292	1.1
298.11707	2.2
313.10648	9.2
313.14325	36.4
313.17807	2.9
313.21350	1.3
314.11026	1.3
314.14520	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	313.143
Annotation	Stemofuran I
Peak:m/z	Relative Intensity
55.01860	1.3
55.05511	0.9
57.07061	0.7
64.33496	0.7
65.03941	0.9
69.88350	2.2
69.88764	1.3
74.33469	0.7
79.05495	4.0
81.07055	2.6
81.74872	0.7
87.76195	0.6
91.05471	10.6
93.07072	0.7
94.04177	4.7
95.04960	3.2
95.08591	0.8
103.05466	2.3
105.03401	0.9
105.07037	2.0
107.04932	8.3
108.02119	0.7
109.06503	6.2
111.22468	0.7
115.05463	1.9
117.03377	1.7
117.07042	0.8
119.04929	6.3
121.02864	1.4
121.06499	2.7
122.03635	10.8
128.06233	5.8
129.06998	25.4
131.04938	3.2
131.08578	2.1
135.04398	9.6
135.08032	1.0
136.44766	0.7
137.05963	100.0
138.06288	1.2
141.05435	0.9
145.06471	3.1
146.07268	2.6
147.04356	0.8
148.05109	1.0
149.06004	3.9
151.03891	10.7
151.04970	1.2
151.07539	17.1
152.06227	1.1
153.07018	1.2
155.06029	1.1
156.56021	0.7
157.06474	34.3
158.07045	1.5
159.04349	1.7
159.08031	1.1
159.96251	0.7
161.05963	6.2
161.09613	2.1
163.07549	4.1
165.05740	0.8
165.06996	4.8
169.06508	1.3
171.08159	0.8
174.06783	6.5
174.08104	1.1
175.03917	2.7
175.07463	2.3
177.06979	0.9
177.09050	1.3
178.07755	14.5
178.09222	1.2
179.08508	1.5
181.06430	2.4
189.09087	40.9
191.08531	2.0
192.09358	2.5
193.06516	2.4
193.10094	8.0
195.08034	2.9
197.05959	3.0
202.07782	2.4
203.08540	2.4
205.06467	1.8
206.07269	4.1
207.08025	1.6
209.05998	3.9
209.09573	1.1
210.06720	1.7
211.07507	1.5
219.07928	1.2
220.08699	1.2
221.06058	1.3
221.09583	13.2
222.10263	0.8
223.07503	4.2
224.08226	1.4
225.09071	1.6
231.30949	0.8
234.06711	2.2
235.07481	0.8
237.05521	1.2
237.09064	1.6
238.06235	1.2
238.09796	2.0
239.10559	0.8
240.07768	1.4
241.08626	4.6
241.10686	0.8
249.09050	8.7
250.09860	1.6
253.08632	1.9
253.12227	20.4
266.09402	1.6
267.09940	0.9
269.08041	11.2
271.09598	1.1
272.10443	1.2
281.11688	13.5
282.12219	1.5
284.10434	8.1
285.10904	1.1
298.11938	1.1
313.10757	3.5
313.14255	34.5
313.28357	2.2
314.14563	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1431
Annotation	Kachirachirol B
Peak:m/z	Relative Intensity
53.03934	1.1
54.99776	0.7
55.01863	0.9
55.05513	1.2
57.07063	0.8
63.58142	0.7
65.03925	1.4
67.05495	2.4
69.03416	1.2
69.07034	1.0
69.81718	3.4
69.82127	1.0
71.04985	0.8
79.05489	7.5
81.03413	2.0
81.07055	5.8
91.05471	12.7
92.06290	1.0
93.07042	1.5
94.04173	2.1
94.94703	0.7
95.04949	2.1
95.08588	2.5
98.20805	0.8
103.05457	14.5
105.07024	9.5
107.04953	2.1
107.08588	4.6
109.06477	2.4
109.10167	1.5
115.05447	5.8
117.07005	10.6
119.04950	1.7
119.08590	0.9
120.05715	6.7
121.06480	1.1
121.10090	1.8
122.03650	8.8
123.04422	4.1
123.11691	2.6
128.06210	5.3
129.06993	19.8
131.04918	21.1
131.08534	0.8
133.06503	1.9
133.10149	1.1
135.08049	13.3
135.11667	0.8
137.05965	100.0
138.06335	1.3
143.04927	0.8
145.06471	3.4
146.07271	1.2
148.05206	1.4
150.95680	0.7
151.03899	6.8
151.07503	2.1
157.06473	8.3
161.05972	1.0
161.09608	1.4
163.07532	73.1
164.07872	2.0
165.05473	1.0
170.15395	1.4
174.06749	3.8
175.07581	1.8
177.09087	26.6
181.08571	10.5
188.94136	0.8
189.09094	21.9
193.06468	0.8
193.10120	0.9
193.12080	0.7
198.14903	2.3
211.07352	1.1
213.19893	0.8
225.09309	0.9
226.14409	1.2
227.06943	1.7
237.05545	0.7
249.08940	1.1
252.07753	1.3
253.08585	2.2
253.12172	1.6
255.06502	1.1
257.11688	1.4
267.10107	1.4
270.08942	0.9
281.08105	0.9
281.11542	2.1
283.09592	1.0
295.13245	1.4
296.57849	0.8
298.08359	1.1
313.07138	1.4
313.10712	6.3
313.14276	46.2
313.17911	3.9
314.14426	1.6
327.74640	0.7
339.40891	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1429
Annotation	Kachirachirol B
Peak:m/z	Relative Intensity
53.03938	1.1
55.05482	1.5
65.03920	0.9
67.05500	3.3
69.03412	2.2
69.07053	2.0
71.04967	0.9
71.52553	0.8
71.52927	0.7
76.41884	0.7
77.03939	1.1
79.05486	7.0
81.03407	1.5
81.07054	5.5
83.04952	0.9
83.08617	1.1
91.05473	12.5
91.53098	0.7
92.06265	1.8
93.03391	0.8
93.07031	2.2
94.04182	3.0
95.04960	3.2
95.08586	2.6
97.06532	1.0
103.05460	14.2
105.07022	9.1
107.04943	2.8
107.08601	4.4
109.02831	1.1
109.06533	2.2
109.10145	1.3
112.24146	0.9
115.05463	4.7
117.07014	9.8
119.08581	2.6
120.05715	7.7
121.06485	1.9
121.10145	1.6
122.03630	8.2
123.04433	1.9
123.08025	1.2
123.11690	1.8
128.06212	4.3
129.06989	15.5
131.04909	20.5
131.08525	1.5
133.06485	2.1
133.10147	1.9
133.14496	0.8
135.04428	1.3
135.08032	10.8
135.11671	0.9
137.05959	100.0
138.06271	1.7
143.08559	1.0
145.06467	5.3
146.07297	2.0
147.04492	1.4
149.05995	1.1
151.03886	4.8
151.07571	4.4
157.06461	9.6
161.05997	2.2
161.09691	1.1
163.07523	75.0
164.07893	1.1
165.06966	1.5
174.06718	3.7
175.03912	1.2
175.07527	4.1
177.09088	24.0
178.07764	1.3
178.09344	0.9
181.06473	0.6
181.06958	0.8
181.08585	8.4
189.05405	1.0
189.09087	22.3
195.07986	1.1
203.10472	0.7
209.05928	1.4
210.06689	1.9
221.05899	1.1
221.09732	0.9
223.07446	1.8
224.08318	1.3
225.09143	1.3
227.07030	1.8
236.08261	1.0
237.08914	1.0
238.09836	1.1
239.07056	1.4
239.10669	2.4
249.09102	1.1
252.07802	2.2
253.08609	2.3
253.12193	1.7
255.06451	2.3
255.09984	1.0
266.09180	0.8
267.10196	3.2
269.08087	1.3
270.08875	1.9
281.11563	2.4
282.12534	5.5
285.11130	1.7
298.08310	1.2
298.11649	2.5
313.10672	11.7
313.14285	47.8
313.17880	3.8
314.14496	1.5
328.02130	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15934	2.2
53.03932	7.7
55.01861	4.9
55.05503	7.7
57.03435	13.1
58.06606	3.6
59.04984	3.6
61.02930	13.4
61.59267	1.8
63.79049	2.1
65.03927	2.5
67.05505	18.9
69.03077	3.2
69.03430	43.8
69.07062	10.9
71.04985	3.9
71.52785	2.9
73.02909	7.9
79.05484	12.8
81.03424	21.4
81.07054	35.0
83.04960	5.8
85.02901	100.0
87.04442	2.7
91.03967	6.1
91.05476	43.4
93.07039	18.9
95.04953	8.6
95.08595	11.7
97.02887	38.8
98.97547	3.5
99.04453	8.0
103.05463	3.7
105.07018	42.7
107.04977	5.5
107.08599	17.7
109.02863	12.0
109.06541	3.4
109.10162	2.6
111.04384	3.2
114.59263	2.1
115.03954	2.2
117.07019	4.1
119.08582	4.8
121.10143	14.6
123.04341	4.1
123.08073	3.6
123.11703	27.9
127.03923	23.8
131.04935	3.1
131.08551	5.9
133.04945	2.4
133.10127	40.2
135.04387	3.1
135.11707	5.3
136.06119	2.8
137.06015	3.8
145.04961	16.6
145.10091	2.5
147.11800	2.1
149.09587	8.6
151.03908	35.5
151.05054	2.2
151.07587	4.5
151.11162	71.5
151.50175	2.4
152.01662	20.5
152.07024	2.8
157.07593	4.9
161.09615	3.6
163.07544	3.1
163.11258	2.5
169.09775	4.0
175.11223	3.7
187.11089	4.1
188.03746	24.8
217.12219	2.4
264.51837	2.3
277.14426	4.4
295.15640	3.1
298.10666	10.8
299.11478	4.3
313.10440	3.0
313.16422	3.1
313.27374	2.9
314.14157	11.9
314.17126	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1643
Annotation	Thymol glucoside
Peak:m/z	Relative Intensity
50.82804	1.8
53.03960	10.5
55.01859	7.0
55.05496	5.6
57.03431	11.4
58.06583	2.7
58.28296	1.9
59.05000	10.3
61.02924	12.5
65.03946	2.1
67.05511	6.6
69.03428	38.2
69.07049	5.7
69.50698	16.0
71.01324	2.3
71.04985	6.8
73.02905	5.9
79.05503	6.2
81.03412	20.5
81.07053	18.5
83.04990	2.4
84.04474	2.2
85.02899	100.0
87.04445	2.0
91.03948	5.6
91.05485	15.6
93.07033	40.3
95.04963	8.1
95.08601	6.3
96.55514	1.9
97.02882	33.3
97.06540	2.6
97.99960	1.8
98.20652	3.0
99.04436	8.3
99.05020	2.0
103.03941	2.6
105.07031	21.2
107.04945	2.7
107.08589	12.6
109.02853	11.1
109.06526	12.8
109.10165	13.4
111.04456	1.9
117.06985	3.0
119.08554	2.6
121.06508	6.9
121.10131	4.6
123.04413	5.8
123.08051	4.7
123.11685	15.2
127.03897	19.9
131.08595	3.8
133.10114	34.1
135.08034	3.0
135.11719	4.1
137.05966	4.6
145.04961	14.1
149.09598	7.3
151.03896	39.9
151.05017	1.6
151.07568	4.2
151.11156	48.7
163.11162	6.8
170.02710	2.5
179.10596	3.6
188.03767	34.1
190.59335	2.2
191.10704	4.2
209.11714	2.4
229.12312	4.0
298.10864	7.6
299.11426	3.4
302.31119	2.2
308.29062	2.3
313.06955	2.5
313.10568	3.8
313.16638	13.8
314.06631	3.4
314.10559	2.9
314.13806	13.4
314.17203	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	313.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.9
57.07094	1.4
65.03938	1.1
67.05493	7.1
69.07058	5.9
71.08623	0.6
71.52763	1.3
79.05483	5.8
81.07044	15.3
83.08607	2.2
85.63796	0.7
91.05463	8.8
93.07027	13.6
95.04954	1.6
95.08595	11.2
97.10155	2.0
103.05444	2.5
105.07020	11.8
106.04184	0.7
107.04935	5.1
107.08580	16.5
108.05728	2.4
109.06498	1.2
109.10135	12.8
109.20922	0.7
115.05408	3.5
117.07001	2.0
118.04125	1.1
119.04922	0.9
119.08566	31.5
121.06513	4.2
121.10133	8.7
123.11706	7.2
124.05160	1.3
128.06169	1.2
129.06979	2.6
131.04913	1.8
131.08568	1.5
133.06454	1.9
133.10114	7.8
134.07249	1.2
134.50076	0.7
135.04408	2.3
135.08064	1.8
135.11667	12.9
136.05197	8.2
137.05971	4.1
137.13210	1.4
138.06776	1.0
139.07484	1.7
143.04852	3.6
144.05725	1.1
145.06461	3.5
145.10054	0.8
146.07216	0.8
147.08035	1.9
147.11655	2.4
149.05936	1.9
149.13217	5.0
150.06747	8.5
151.07521	100.0
152.07883	1.0
157.06442	1.7
158.07240	2.3
159.08028	7.9
160.05176	2.1
160.08815	10.2
161.05948	2.9
161.09616	1.1
161.13206	2.5
163.07430	1.4
164.08368	0.9
165.09088	49.5
166.09399	1.3
167.08609	1.0
169.10042	0.9
171.08051	2.6
172.08832	2.5
173.05963	1.4
173.09633	2.7
174.06744	3.2
174.10367	8.6
175.07545	11.3
175.14793	23.7
176.08337	3.2
177.09105	4.1
179.08470	1.0
179.10637	2.4
184.08833	1.3
185.09682	1.6
186.10381	2.2
187.07471	1.3
187.11414	0.7
188.08286	6.3
189.09090	12.1
190.09875	4.1
191.10634	36.8
192.11014	0.9
193.10130	1.1
193.12309	0.8
195.08051	1.0
196.08754	1.3
197.09572	1.5
198.10361	1.5
199.07495	0.9
199.11090	1.1
200.08350	0.7
201.09059	4.7
202.09842	6.2
203.10648	30.4
205.12207	18.7
206.07353	0.9
209.09595	1.2
210.10353	0.8
211.07715	0.9
211.11183	2.4
212.11949	1.5
213.09180	1.2
214.09872	2.0
215.10654	22.3
216.11319	2.2
217.10185	1.2
217.12222	16.7
219.13792	3.3
221.09520	0.9
223.07555	1.3
224.08199	1.5
225.09254	0.7
226.13437	2.2
227.10632	3.5
228.11423	2.3
229.12167	5.4
230.12997	1.0
231.13780	2.9
237.08968	0.8
238.09804	1.5
239.10661	2.2
240.07744	1.0
240.15018	1.9
241.08601	1.3
241.12224	2.8
242.12877	2.6
243.13719	7.5
244.14717	1.3
245.15376	1.6
251.07043	1.0
253.08557	0.7
253.12244	3.2
255.10075	2.6
255.13870	1.2
256.14493	4.3
257.15332	13.2
258.16019	1.8
267.10049	5.6
270.16022	0.7
271.16870	19.1
281.11719	2.2
282.12448	7.1
283.09631	2.1
284.10303	1.5
285.11121	1.6
285.18454	4.3
298.12109	3.9
298.19257	9.5
313.10715	3.1
313.14194	26.9
313.21564	95.0
314.14258	3.7
314.21799	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	5.3
65.03899	1.2
67.05507	6.7
69.07061	7.3
71.49753	1.2
71.52921	2.0
79.05466	6.0
81.07045	15.8
83.08579	1.5
89.71513	1.5
91.05468	9.7
93.07033	12.1
95.08585	8.4
97.10092	1.5
103.05429	2.3
105.07014	11.8
107.04938	5.7
107.08588	14.2
108.05738	1.9
109.10150	9.6
115.05415	2.6
117.06994	2.2
119.07797	2.0
119.08569	27.8
121.06489	3.2
121.10146	7.6
123.11658	5.1
124.05184	1.8
128.06194	2.1
129.06985	1.4
131.04889	1.9
131.08556	2.0
133.06422	1.8
133.10130	6.3
135.04372	4.0
135.08031	1.6
135.11694	7.8
136.05180	8.7
137.05959	3.8
137.13225	1.5
143.04878	4.0
145.06464	4.7
147.08022	1.7
147.11655	2.7
149.05977	1.5
149.13191	4.2
150.06754	7.2
151.07523	100.0
152.07919	1.5
158.07240	2.6
159.07991	7.5
160.05179	3.8
160.08830	12.2
160.94824	1.5
161.05936	2.1
161.09592	2.2
165.09090	48.5
171.08063	1.6
172.08809	2.6
173.05997	2.4
173.09598	2.1
173.13258	1.8
174.06760	3.5
174.10402	8.6
174.11656	1.3
175.07489	10.6
175.14798	24.4
176.08304	2.6
177.09100	3.2
179.10638	2.6
185.09581	2.2
186.10402	1.3
187.07426	2.2
188.08307	5.9
189.09071	13.8
190.09872	2.2
191.10648	35.6
195.08051	1.7
197.09488	2.1
198.10400	2.5
201.09117	6.1
202.09790	8.3
203.10648	32.0
205.12218	15.3
209.09618	1.9
210.10353	1.7
211.11075	2.3
212.11925	1.7
213.09114	2.3
213.31956	1.5
214.09734	1.8
215.10663	26.0
216.11299	2.4
217.12187	17.3
219.13768	3.4
223.07692	1.6
224.08363	2.1
227.10632	5.5
228.11438	2.8
229.12213	6.3
231.13741	2.3
239.10677	3.7
241.12184	3.3
242.13043	2.1
243.13823	8.8
245.15198	1.6
255.10158	2.3
255.13966	1.5
256.14536	5.3
257.15387	11.8
267.10095	9.1
271.16910	22.4
282.12448	11.0
283.09531	1.6
284.10297	1.9
285.18491	3.7
298.11755	4.6
298.19125	7.3
313.10770	2.4
313.14194	23.0
313.21555	80.9
314.14218	2.8
314.21982	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	313.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	12.7
57.03421	5.2
57.07058	15.9
67.05498	27.9
69.07060	48.7
71.08610	8.8
71.52940	4.9
75.62349	3.0
79.05474	9.1
81.07044	69.8
83.08595	4.7
84.84354	3.1
85.10155	3.3
88.07595	4.3
91.05458	11.1
93.07016	9.4
95.08601	45.2
103.05432	6.9
105.06993	8.9
107.08553	10.3
109.06523	3.4
109.10149	27.6
110.96558	3.3
119.08557	9.0
121.06496	8.7
121.10066	3.8
123.10830	5.1
123.11691	91.1
128.06216	4.4
129.07019	4.6
131.04875	9.2
131.08600	3.6
133.10130	5.9
135.07962	3.1
135.11705	4.8
136.05157	4.6
137.05942	10.6
137.13190	4.9
143.04877	4.1
145.06454	8.4
146.07268	8.6
149.05928	3.0
151.03961	3.6
151.07542	35.8
157.06451	5.1
158.07214	6.4
159.10188	4.1
161.06020	3.6
163.07487	5.1
165.09076	8.5
167.08510	5.1
171.07889	3.3
171.11650	3.3
172.08766	5.5
174.06715	7.1
174.10425	4.3
175.07495	10.5
175.14822	4.0
177.09079	52.2
183.07959	4.6
184.08789	3.4
188.08249	11.0
189.09070	44.6
190.09726	3.8
191.10603	12.7
197.09541	4.0
198.10341	4.2
200.12010	4.0
201.09026	15.6
202.09883	5.4
203.10652	47.3
205.12224	5.0
212.11905	3.8
214.09846	4.3
215.10658	14.9
217.12224	21.7
225.09103	5.1
227.10826	3.5
229.12172	14.6
230.13004	6.3
231.13777	11.7
243.13919	13.9
244.14511	3.7
245.15213	3.6
253.08669	3.6
253.12206	5.1
255.09972	4.2
257.15359	9.8
267.09949	5.4
281.11560	6.1
282.12384	4.6
283.09619	4.8
285.11160	3.6
295.23978	4.0
298.10971	7.3
313.10547	10.9
313.14188	27.3
313.17703	5.1
313.21555	100.0
313.27295	14.2
313.32904	19.8
314.13919	9.2
314.21689	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	313.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.6
55.05516	16.7
57.03436	8.5
57.07077	30.3
66.09304	2.7
67.05499	26.3
69.06723	4.4
69.07067	47.5
71.08626	18.5
71.52168	3.9
71.52548	3.3
74.35706	2.6
79.05476	8.7
81.07051	40.5
83.08611	12.7
85.10173	12.1
89.06039	2.4
91.05452	8.3
93.07038	6.6
95.08601	26.0
105.07037	8.1
107.08587	6.9
109.04715	3.0
109.10151	26.6
111.11696	4.3
121.06490	5.4
123.11705	17.6
129.06969	4.1
131.04965	4.5
133.10086	6.3
135.08133	3.7
135.11661	4.1
136.05182	3.8
137.05969	7.6
145.06506	7.1
146.07285	6.3
151.07530	53.2
157.06483	4.4
158.07248	9.8
159.04390	3.0
159.08047	4.3
165.09094	6.2
171.08063	6.4
172.08827	7.5
173.05995	4.3
174.06781	18.1
175.07516	9.1
176.08322	6.7
177.09128	18.6
188.08261	18.7
189.09117	62.1
190.09782	4.9
191.10657	22.2
195.07893	4.9
197.09631	4.7
201.09094	27.4
202.09875	5.3
203.10669	40.5
205.12198	5.5
212.11826	3.2
214.09763	3.6
214.94637	3.2
215.10680	27.9
217.12242	11.9
219.13823	4.6
223.45944	2.9
226.13524	5.3
228.11395	5.3
229.12219	22.1
230.13013	5.7
231.13817	7.9
241.12259	5.8
243.13765	16.2
253.12224	5.2
255.13846	3.5
257.15372	42.7
271.17001	8.1
281.11786	3.5
282.12479	4.5
287.43283	2.9
298.10632	5.1
298.19373	6.4
313.10962	6.7
313.14331	15.5
313.17874	6.5
313.21613	100.0
313.27301	45.1
313.32834	17.0
314.13953	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	313.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	13.5
57.03425	16.9
57.07075	32.5
67.05496	22.4
69.07059	46.9
69.51875	14.4
69.52308	10.2
71.08618	27.0
79.05496	7.2
81.07045	35.8
83.08607	13.0
85.10162	9.8
91.05446	8.5
93.07029	11.7
95.08597	28.6
97.10137	7.6
103.05475	4.7
105.07069	6.8
107.04922	3.0
107.08598	5.9
109.10155	29.5
111.11727	3.6
115.05399	3.5
117.07017	4.0
119.08549	5.5
121.06487	4.8
121.10119	5.1
123.11707	20.7
131.04903	4.6
133.10092	4.7
135.04390	6.1
136.05064	4.3
137.05957	8.0
143.08549	4.0
144.05685	3.6
145.06493	4.0
146.07266	5.3
149.13234	4.0
151.03903	3.4
151.07518	50.2
157.06430	6.1
158.07227	8.1
159.04456	4.1
159.08044	4.7
160.08823	6.6
163.07437	3.4
165.09091	8.2
171.07968	4.0
172.08852	5.6
173.06010	4.2
174.06781	16.8
174.08078	4.1
175.07481	8.5
176.08334	6.3
177.09065	18.6
188.08287	17.0
189.09099	74.4
190.09941	5.6
191.10632	15.8
201.09067	28.6
202.09865	5.5
203.10620	35.8
211.11047	4.7
213.09012	3.2
215.10634	24.6
217.12204	13.3
226.13577	5.4
227.10539	3.8
228.11325	4.7
229.12253	15.8
230.12978	3.4
231.13899	6.6
242.12938	4.7
243.13748	14.6
253.12401	3.8
257.15350	48.0
257.24673	4.6
271.17014	3.5
281.11624	4.0
298.10614	4.9
298.19257	5.7
313.10660	8.5
313.14230	14.0
313.18137	5.1
313.21576	100.0
313.27200	48.3
313.32669	20.4
314.13858	11.4
339.86276	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	313.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06978	1.1
55.05487	6.0
57.03196	1.5
57.03435	21.8
57.07069	64.7
67.05498	12.5
68.40361	1.2
69.07059	8.7
69.88132	5.2
69.88548	2.9
71.08624	42.4
81.07044	16.3
83.08616	10.8
85.06572	1.8
85.10175	21.6
89.05999	3.3
95.08591	22.0
97.10154	6.5
103.07626	1.5
106.10084	1.2
109.10147	10.8
123.11692	5.6
165.71730	1.3
239.23730	5.4
257.24805	4.2
262.05341	1.6
267.19437	1.6
313.27328	100.0
314.13803	2.5
314.27707	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.7
57.03433	21.3
57.07072	62.7
66.74810	0.9
67.05500	13.1
69.07063	9.2
71.04979	1.1
71.08625	42.2
72.08963	0.8
81.07047	14.9
83.04948	1.2
83.08616	13.0
85.09660	1.1
85.10172	22.9
89.06010	4.0
93.07019	1.3
95.08598	25.4
97.10169	5.9
98.21535	1.8
99.11704	1.3
103.07587	2.4
109.10157	11.1
111.11710	1.4
123.11734	4.6
123.12466	1.0
125.13229	1.4
137.13179	1.2
139.67171	1.0
173.59338	0.9
186.56888	1.0
221.22647	1.7
239.23535	4.5
242.06245	1.0
255.44257	1.0
257.24841	5.9
263.81525	1.1
311.62213	0.9
313.27335	100.0
314.27649	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	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76707	0.6
55.05507	8.3
57.03159	1.1
57.03433	22.7
57.07071	63.4
61.25477	0.6
67.05170	1.0
67.05500	12.0
69.07059	10.9
70.51020	0.5
71.08627	41.2
71.24515	1.1
71.24850	0.9
75.04472	1.0
79.05504	1.3
81.06589	1.0
81.07051	16.2
83.04921	0.7
83.08614	13.4
84.08878	0.6
85.06530	0.7
85.10175	23.0
89.06015	4.0
93.07021	1.2
95.08598	25.7
97.06545	0.7
97.10162	6.7
98.05961	0.6
99.11698	1.3
103.07571	2.6
107.08572	0.7
109.09467	0.9
109.10145	10.4
111.11713	2.2
117.09103	1.2
121.10101	0.7
123.11687	5.3
125.09570	0.6
125.13214	0.6
135.11705	0.6
137.13231	1.7
151.07466	0.7
151.14890	0.6
151.79526	0.6
239.23676	5.3
257.24719	5.7
298.11172	1.0
298.27087	1.1
313.14157	2.4
313.27335	100.0
314.27612	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	314.123
Annotation	N-methylanthraniloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.78965	0.8
51.83416	0.8
53.03925	1.2
58.06590	1.2
61.02914	1.1
65.03931	1.7
67.05484	1.2
69.03406	3.2
70.06572	1.3
71.04993	1.0
71.52396	0.8
71.52771	1.2
72.35837	0.8
79.05486	1.8
81.03394	1.9
81.07014	1.5
85.02904	7.4
86.03236	1.2
86.33779	0.9
91.05463	12.5
92.05814	0.8
93.06986	1.6
95.04934	1.9
97.02885	4.6
102.00423	0.8
105.07024	1.6
106.06539	12.6
107.04926	2.6
107.08546	1.3
107.98248	0.8
108.08076	1.2
109.02872	0.9
109.06519	3.1
115.05431	1.0
116.04945	3.0
118.06524	0.8
119.06033	1.5
123.04423	2.4
124.07629	1.4
127.03912	2.6
131.04872	0.9
133.06519	1.3
134.06001	100.0
135.04379	1.1
135.06380	1.3
136.06161	2.1
137.05972	1.8
147.04343	2.2
151.03912	3.3
151.07520	1.3
151.11130	0.9
152.04253	5.1
152.07060	17.0
152.08276	1.1
152.10663	3.0
152.11670	1.3
161.06046	1.3
163.03883	1.9
170.02771	1.9
174.31586	0.9
178.08661	1.6
188.03748	8.1
219.48419	0.9
243.56886	0.9
255.10011	1.0
269.04654	1.0
283.09555	1.3
298.10721	5.8
299.11456	2.0
314.06900	1.2
314.10474	1.4
314.13754	9.2
314.17297	1.4
315.14307	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1381
Annotation	Pessoine
Peak:m/z	Relative Intensity
53.03927	1.8
57.03416	0.6
58.06596	0.8
63.97493	0.6
65.03942	0.7
67.05456	0.8
69.03400	2.1
71.04969	1.1
71.52029	0.7
71.52407	0.7
80.05006	0.8
81.03405	4.8
81.07034	1.0
85.01101	2.5
85.02879	2.0
87.24973	0.7
88.83599	0.6
91.05452	1.2
95.04945	0.9
97.02876	14.9
98.97578	0.8
103.02134	0.7
103.05433	1.1
105.07017	1.8
107.04929	1.7
107.08596	0.9
109.02858	2.5
109.06514	0.7
112.02185	3.2
118.06533	0.6
120.08099	0.6
121.10133	0.7
124.07569	1.0
127.03907	2.5
136.05174	0.7
137.05954	7.8
140.01636	1.5
142.03336	0.6
148.07547	5.2
149.08324	0.7
151.03879	3.3
151.07529	8.5
152.04240	3.7
152.07034	4.1
157.01933	0.9
158.02673	1.1
160.07498	0.8
162.05441	0.8
163.03909	0.6
163.06241	1.2
165.09108	1.6
170.02692	9.1
176.07072	4.0
177.07874	5.9
177.67775	0.7
178.08612	2.5
188.03746	87.8
189.03995	1.7
190.08713	0.9
191.09294	0.7
192.10170	20.0
195.02869	3.4
205.06465	1.4
207.08029	1.0
222.06723	1.8
223.07481	1.3
237.08946	0.8
251.06914	1.4
265.08612	5.1
270.07666	1.4
280.09689	0.9
283.08347	3.3
284.09061	3.6
285.09982	1.3
288.93051	0.7
296.12796	3.1
297.11169	1.8
298.10699	52.8
299.11475	33.3
299.14969	1.4
314.06903	5.4
314.13828	100.0
315.14023	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1381
Annotation	Pessoine
Peak:m/z	Relative Intensity
54.58652	0.8
55.01846	0.9
55.05487	1.2
58.06594	1.2
69.47073	2.0
69.47483	6.2
71.16416	0.8
72.04513	1.8
79.05502	1.7
81.03412	1.1
81.07041	1.7
85.02883	1.5
91.05472	2.7
93.07043	2.2
95.04957	1.5
97.02891	1.6
103.05464	1.3
105.07005	2.6
106.51463	0.9
107.04943	37.3
115.05431	5.1
119.04877	1.1
120.04693	1.0
121.06499	3.8
123.04420	23.6
124.04637	1.0
124.07625	0.8
131.04929	6.3
133.06509	1.6
135.04407	8.8
135.08063	1.0
137.05975	4.7
143.04898	11.3
145.06483	3.1
147.04370	1.9
149.05991	4.5
151.03883	4.1
151.07506	2.7
152.04237	3.9
152.07094	1.9
159.04375	0.9
161.05988	8.4
162.06718	1.0
163.07513	2.0
165.01810	1.0
165.05527	2.1
165.06902	1.3
167.08583	1.7
167.35161	1.0
173.05989	7.4
174.06757	1.0
174.09113	1.0
175.06224	1.0
178.08588	3.1
179.08542	2.2
188.03752	9.9
188.07053	2.0
190.08618	55.0
191.08849	1.6
195.02896	2.7
195.08078	4.6
195.12477	0.9
197.09486	1.2
204.10156	1.0
207.08002	3.0
209.09563	1.9
212.08087	1.1
213.09164	3.0
223.07487	2.8
225.09163	3.3
232.69493	1.0
235.07526	1.1
237.09120	3.1
241.08653	2.5
253.08595	2.6
254.09340	1.2
255.10184	4.7
264.65405	1.0
265.08606	2.7
267.10275	4.5
268.10434	0.9
271.09720	4.5
283.09610	11.8
284.09692	1.0
284.12762	2.3
296.08459	1.6
296.12784	3.3
298.07263	1.7
298.10681	8.3
299.07849	3.6
299.11404	3.6
314.10632	5.1
314.13843	100.0
314.17139	5.0
315.04916	5.4
315.14218	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	314.1747
Annotation	Laurifine
Peak:m/z	Relative Intensity
53.03938	1.6
55.01855	0.9
58.06594	87.5
59.06929	0.8
65.70365	0.8
69.02049	0.8
69.03417	2.4
69.74143	3.3
69.74561	1.1
70.03995	0.9
74.27148	0.7
79.05482	1.1
81.03400	1.6
81.07035	1.2
84.04491	1.1
85.02890	1.3
91.05476	1.6
93.07032	1.4
94.91022	0.8
95.04994	1.1
97.02879	5.6
98.20822	1.0
100.88239	0.8
103.05447	1.6
105.07001	1.8
107.04948	31.8
107.08598	1.0
109.02879	1.7
112.02162	0.9
115.05433	1.2
117.07006	1.8
119.04932	1.0
121.06473	3.7
123.04423	1.4
123.08071	0.8
124.07574	2.2
127.03905	2.7
130.06523	4.7
131.04872	1.4
135.04385	0.9
136.05185	1.1
136.06174	3.7
137.05952	7.4
142.03194	1.8
143.04903	3.9
145.06445	3.7
147.04300	1.5
147.08038	2.2
151.03925	1.0
151.07535	14.5
152.01648	16.2
152.04262	1.1
152.07030	5.7
152.10590	0.9
153.01714	1.2
157.07584	10.8
161.05948	1.7
162.05447	1.2
163.07506	1.5
165.09079	1.4
167.08430	1.0
170.02667	3.1
175.07570	5.5
177.05495	0.9
182.11742	0.9
183.07991	1.1
188.03741	30.3
189.04050	1.5
191.08566	1.3
192.10193	2.5
195.08078	1.1
209.09631	3.3
211.11171	1.4
219.07977	1.1
222.06796	1.1
223.07481	1.6
230.18254	0.9
237.09109	4.6
251.88400	0.8
252.10022	0.9
254.09320	0.9
256.09796	0.9
265.08533	1.7
268.10611	1.2
268.13409	1.0
269.11673	10.7
270.07510	1.9
271.13312	4.8
280.09607	1.2
283.09042	3.2
284.09146	2.3
285.09915	1.3
298.10706	58.1
299.07947	2.0
299.11420	33.6
300.11716	1.0
314.13797	100.0
314.17462	90.3
315.14072	8.5
315.17880	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	314.1748
Annotation	Roefractine
Peak:m/z	Relative Intensity
53.03948	1.0
55.01875	0.8
58.06592	0.7
65.03940	2.4
66.04279	0.8
67.05496	1.0
69.03427	1.4
70.03732	0.9
70.08652	1.3
70.09061	1.6
79.26749	0.6
81.03416	4.9
82.03745	2.6
85.02894	1.8
86.03229	1.4
91.05484	4.2
93.07035	0.6
95.04964	1.0
97.02881	0.9
103.05438	1.0
105.07011	2.8
107.04938	2.0
109.02879	2.1
109.06470	0.8
110.03200	1.2
111.04438	1.8
112.04769	1.1
112.50707	0.6
115.05441	7.6
117.07049	0.7
120.57458	0.7
121.06492	97.6
122.06834	1.6
123.04445	0.6
125.06007	0.8
133.06480	0.8
135.08026	8.0
137.05969	9.2
143.04906	12.4
144.05676	1.4
145.06465	1.1
151.03894	24.3
151.04971	2.1
151.07495	3.6
152.04233	30.9
152.05322	1.8
153.04500	0.9
159.08051	5.9
160.05208	3.1
161.06015	0.9
163.07573	1.1
165.06990	1.2
169.04929	1.6
170.05302	1.4
175.07527	17.3
177.07840	0.7
178.08656	1.0
179.08522	1.4
188.03778	1.5
191.08527	1.0
192.10263	3.8
193.06467	0.7
195.08086	1.5
196.08817	1.3
208.08777	4.2
211.11148	2.2
219.08078	1.0
220.08789	0.8
223.07559	0.7
223.11147	6.0
225.09084	1.2
236.08331	1.4
237.09116	1.2
239.10599	1.4
251.10651	9.4
251.13051	1.1
252.11514	0.7
253.08609	2.1
268.10901	2.1
271.13297	1.7
283.10065	1.3
283.13242	23.7
284.13663	0.8
285.11060	0.6
285.14862	2.0
296.08456	4.1
298.10809	0.9
314.17462	100.0
315.12061	0.7
315.17682	4.1
318.14719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1223
Annotation	6,3',4'-Trimethoxyflavanone
Peak:m/z	Relative Intensity
51.02368	1.1
51.04029	0.8
53.03939	1.4
57.10904	0.6
65.03910	0.7
66.04679	0.7
67.05498	0.9
68.79477	0.7
70.08226	1.8
70.08634	1.4
73.67604	0.7
77.03914	1.1
79.05480	4.2
81.07043	4.4
91.05466	6.0
93.07055	1.0
94.04175	2.9
95.04965	3.9
95.08601	1.2
103.05455	100.0
104.05766	1.9
105.03377	1.0
105.04515	0.8
105.07015	8.0
107.04391	0.8
107.04952	7.9
107.08583	1.6
109.06506	4.9
111.04395	0.9
115.05423	2.1
117.07014	3.0
119.04933	2.8
119.08604	1.1
120.05700	2.3
121.06508	1.4
122.03648	5.3
122.62141	0.7
123.04411	3.2
125.06004	0.8
131.04912	52.8
132.05257	0.9
133.06453	1.2
135.04375	1.5
135.08038	17.9
135.09009	1.5
137.05960	65.5
145.06458	1.9
146.07126	0.9
147.04425	3.3
148.05177	57.6
148.64775	0.7
149.05916	3.0
151.03838	0.9
151.07520	9.0
152.06187	2.2
153.05408	1.1
161.05952	3.1
162.06793	0.7
163.07527	71.9
164.08215	2.3
165.05484	14.2
165.06900	1.8
166.07759	1.2
167.08559	5.5
169.06467	1.4
175.03897	10.7
176.04677	25.0
176.06102	1.1
177.05386	1.1
177.07004	2.2
177.09151	1.5
179.06993	0.7
181.06468	1.3
191.07008	20.7
193.08516	0.8
194.07175	1.7
195.08043	10.3
196.08571	0.9
196.56277	0.7
197.05942	1.6
205.06448	0.8
209.05989	0.8
211.07521	2.9
212.08347	1.1
222.06721	1.0
223.07516	5.3
225.05383	0.9
225.08925	0.7
227.10661	1.9
229.08693	0.9
233.05748	0.8
237.09090	2.8
239.07008	1.5
240.07813	2.0
241.08502	1.3
250.06273	0.7
251.06950	0.8
254.09462	0.8
255.10152	6.1
259.09637	0.8
265.08618	3.3
269.07986	1.9
269.11606	1.5
272.10443	1.9
283.09586	8.8
284.10269	2.4
285.07922	0.9
286.08356	1.4
287.12714	12.9
297.11240	2.5
315.08789	2.1
315.12222	42.4
315.15488	1.6
316.12732	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92548	3.7
52.32357	3.8
52.80987	3.8
55.05498	5.3
60.04514	8.0
65.03931	5.6
67.05482	12.9
69.07053	7.9
71.52265	5.9
71.52663	5.7
72.08861	4.2
79.05497	12.4
81.07047	14.7
83.04978	4.2
85.85401	3.5
91.05462	36.6
93.07024	14.1
95.04951	6.5
95.08595	12.5
103.05455	30.5
105.07019	20.8
107.04926	13.9
107.08576	17.2
109.06545	8.0
109.10135	9.6
115.05436	9.0
115.73782	3.7
117.07001	20.8
119.08522	4.8
121.06503	51.1
121.10085	7.7
123.08046	5.7
125.05999	4.8
131.04897	44.5
133.10141	6.2
135.04385	27.4
135.08070	30.2
135.11688	4.9
136.05214	36.4
137.05948	15.4
137.13190	4.7
139.07558	5.1
143.08559	4.8
145.06444	14.5
146.07246	51.2
147.04422	4.1
147.07977	8.7
148.05093	5.0
149.05997	26.9
149.09625	5.0
151.07535	56.6
161.06009	9.7
162.06734	17.5
163.03877	10.6
163.07555	67.5
165.06999	4.3
167.07021	17.4
167.08345	4.4
173.05991	30.4
175.07465	7.1
177.05484	21.0
177.09103	56.7
178.09851	34.2
179.10739	5.6
182.21588	4.2
185.09581	8.7
187.07555	4.0
189.09102	4.3
191.06999	34.1
191.10635	7.4
195.08043	6.7
197.05885	10.0
199.11157	6.0
201.09180	7.7
209.08075	25.5
211.07585	6.7
212.08318	13.8
213.09099	12.9
222.06638	4.8
223.07663	5.0
223.11188	5.1
225.05519	6.0
225.09016	6.5
226.09833	5.9
227.06995	5.1
227.10593	22.2
229.12372	5.0
234.85023	4.5
237.12756	5.0
239.06926	7.2
239.10716	5.5
240.07803	9.5
241.08530	28.2
241.12173	4.4
247.09753	9.7
253.08592	8.4
255.10123	17.0
257.08051	11.7
269.08072	15.3
269.11530	5.7
269.15323	24.1
273.11273	5.2
283.09631	50.6
283.12897	7.2
284.10416	31.6
285.07510	7.6
285.10828	5.0
287.12881	6.8
297.14761	8.6
297.18176	5.5
300.09662	7.5
311.03989	4.8
315.04675	4.3
315.08481	16.1
315.12204	100.0
315.15863	56.2
315.19348	5.6
316.12570	11.0
316.16162	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1586
Annotation	CHEBI:70689
Peak:m/z	Relative Intensity
54.90273	1.9
55.05506	3.5
57.82877	1.3
60.81133	1.4
67.05499	2.4
69.03428	2.2
69.07060	11.6
71.53192	3.2
79.05479	5.1
81.07047	6.5
83.04966	5.0
91.05464	10.0
93.07041	5.1
95.04964	3.0
95.08614	3.9
97.06526	10.9
103.05427	4.3
103.36424	2.0
105.07011	10.2
107.04938	2.9
107.08593	7.6
109.06547	8.4
109.10160	3.3
111.08055	4.5
115.05522	2.1
117.07024	5.1
119.04945	2.0
119.08581	4.4
121.06480	23.1
121.10098	2.3
123.08038	3.7
125.09589	1.8
128.06230	3.4
129.06985	26.9
131.04907	5.3
131.08562	10.7
133.06430	2.1
133.10138	4.5
135.04376	4.2
135.08070	7.6
136.05151	2.6
137.05974	4.6
137.09612	4.0
143.08556	2.3
145.06493	5.1
145.10052	2.0
146.07263	13.0
147.07968	2.3
149.05957	39.9
149.09583	1.5
151.07515	20.2
157.06474	9.0
158.07234	2.0
159.08104	3.3
159.11729	1.5
161.05983	2.4
161.09586	17.5
162.06744	4.3
163.07526	6.6
165.05513	3.5
166.99196	1.9
167.07019	4.7
171.08044	3.2
173.09602	3.9
174.06712	9.0
175.07530	4.7
177.05453	31.1
177.09041	11.2
179.08511	1.9
179.10646	1.6
185.09500	2.4
188.08284	2.9
189.09090	82.8
190.09409	2.7
191.07104	4.0
191.10646	5.2
201.09015	3.2
203.10623	5.3
209.09634	2.3
209.13280	2.9
211.07533	3.1
212.08296	3.2
213.09090	5.3
215.10776	3.2
217.08582	42.0
224.08458	1.9
225.09056	2.3
226.09763	1.7
227.10614	7.6
229.08595	3.1
229.12166	4.4
231.10068	8.4
233.08133	1.7
237.12726	1.9
239.10539	2.3
240.07817	1.9
241.08466	8.3
241.12236	1.7
241.15826	2.4
245.08138	7.9
245.11966	1.9
254.12926	2.7
255.10139	3.4
259.09601	3.9
269.08029	4.3
269.15381	13.3
281.10172	2.3
283.09573	9.7
284.10385	7.0
287.16360	14.3
297.14752	10.6
315.08414	6.3
315.12271	19.4
315.15857	100.0
315.19278	3.9
315.23373	4.3
316.16238	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	315.1585
Annotation	CHEBI:68158
Peak:m/z	Relative Intensity
55.01844	1.0
65.03917	1.1
65.09330	0.9
66.07536	0.8
66.22003	1.0
67.05451	1.5
69.07050	2.7
69.54190	7.3
71.04967	1.2
72.05584	0.8
79.05486	2.1
81.07037	3.3
83.08589	1.7
91.05475	22.4
93.07021	3.4
95.04960	2.8
95.08590	2.4
102.04700	1.3
103.05457	8.8
104.06248	1.3
105.03356	1.5
105.07014	3.4
107.04941	9.5
108.05728	3.1
109.02879	1.1
109.06475	3.5
115.05441	11.9
116.06234	2.1
117.07005	19.8
119.04913	6.9
119.08566	3.3
121.06490	42.7
121.10112	1.1
123.04408	1.2
123.08025	1.4
130.04106	1.4
130.56497	1.0
131.04021	1.8
131.04907	20.2
131.08463	0.9
132.05667	1.1
133.06493	5.5
134.07243	3.6
135.04384	9.3
135.08051	2.4
136.05179	15.9
137.05977	4.9
137.13184	1.0
138.06744	1.1
144.05647	2.0
145.06483	14.1
146.07249	72.3
147.04391	5.9
147.08051	7.4
148.05188	2.1
149.05960	1.6
149.09604	8.4
151.07527	85.1
152.07813	1.5
159.08061	1.4
160.08870	2.7
161.05913	5.7
162.06746	39.5
163.03906	1.0
163.07437	2.6
165.06950	1.1
165.09088	3.8
167.07011	2.7
167.08504	1.0
171.08131	1.3
174.06792	1.9
176.08315	3.8
177.09090	68.2
178.09470	1.7
179.08443	1.2
185.09561	1.4
188.08247	1.7
189.09048	3.2
191.10646	8.5
194.07219	1.1
195.08017	1.5
197.09654	1.6
198.10512	1.0
199.07405	1.3
202.09799	1.0
203.10643	2.4
208.08749	1.2
209.09650	2.8
210.06758	1.7
211.07443	1.3
215.10507	1.3
217.12216	3.5
223.07520	1.2
225.09094	4.0
226.09874	4.4
227.10643	1.4
229.12183	2.5
231.13757	5.1
235.41931	1.0
237.09088	2.4
238.09879	2.1
241.12144	1.1
242.09346	2.2
245.15327	2.8
252.11507	2.6
253.08638	2.3
254.09412	1.3
255.10168	2.0
257.11646	2.0
257.15283	2.0
259.16946	1.9
268.10934	4.6
269.11713	3.7
273.18369	1.3
283.09509	3.7
283.13229	5.4
284.14136	3.0
285.03949	1.0
285.11133	9.0
285.18588	1.3
287.12665	1.6
300.06339	2.8
300.13528	8.9
315.08459	4.3
315.12448	5.2
315.15854	100.0
315.23163	8.6
316.16116	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	315.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.05505	3.5
62.44251	1.2
65.03943	1.9
66.86341	1.4
67.05500	7.0
68.49436	1.3
69.03427	1.6
69.07056	6.1
71.04974	1.9
79.05483	8.7
81.03394	1.3
81.07053	6.3
83.08609	2.5
91.05466	8.7
93.07050	4.3
95.04970	7.4
95.08611	6.3
97.06541	4.8
97.10109	1.6
98.21481	2.6
103.05457	53.3
105.07028	20.6
105.09721	1.6
107.04964	6.8
107.08593	7.2
109.02866	1.5
109.06533	5.0
109.10167	4.8
115.05474	2.1
117.07034	4.3
119.04898	3.1
119.08575	3.5
120.05701	1.9
121.06490	19.3
121.10146	4.7
122.03661	3.1
123.04423	2.8
123.08049	5.9
128.06175	1.5
129.06999	3.3
130.04137	1.6
131.04916	31.9
131.05823	2.2
131.08566	2.7
133.06496	3.0
133.07530	2.1
133.10121	4.6
135.04388	2.9
135.08047	42.2
136.08395	2.0
137.05972	38.5
137.09608	2.5
143.08572	2.0
145.06482	2.5
146.03603	3.0
146.07292	5.4
147.04446	3.9
147.08052	1.7
148.05176	33.3
149.05978	30.4
149.09610	2.6
151.07536	14.4
152.06213	4.4
153.07019	1.4
157.06468	1.8
159.08069	3.9
161.05968	10.2
162.06732	3.5
163.07533	100.0
164.07883	2.6
165.05496	6.5
165.07019	5.1
165.09035	1.9
166.07834	2.4
167.07176	2.2
167.08563	6.9
169.06534	2.4
173.06119	1.4
173.09612	2.6
175.03922	4.8
175.07529	4.8
175.11067	1.3
176.04688	15.2
177.05461	12.9
177.06900	3.0
177.09111	5.0
181.06548	2.9
184.08852	2.8
185.09650	2.7
187.07526	3.0
187.11198	2.1
189.09122	11.2
191.07021	46.6
191.10657	25.9
192.07358	2.8
192.11086	1.5
193.08527	1.5
194.07256	4.4
194.10904	1.9
195.06516	2.0
195.08043	10.5
196.58820	1.3
197.06007	4.2
198.06841	1.8
199.11246	4.9
201.09059	3.7
203.10608	2.4
205.06429	1.8
208.05197	2.4
209.06068	2.8
209.08043	22.5
209.13255	3.0
210.06731	1.6
211.07535	4.5
212.08284	9.4
213.09140	3.7
213.12820	1.5
215.06955	1.6
215.10701	2.4
217.08557	3.5
217.12280	1.4
219.06532	4.5
219.10112	2.3
222.06685	2.3
223.07497	11.2
224.08316	2.0
225.05489	2.5
225.09070	3.2
226.06114	1.7
227.10680	15.5
229.12221	2.6
231.10248	1.4
233.08099	5.2
236.04788	1.4
237.09012	3.5
237.12886	1.4
238.35176	1.4
239.06975	2.7
239.10670	3.2
240.07796	5.5
240.11464	2.7
241.08685	3.4
241.12254	2.6
241.15813	2.0
247.09682	5.1
251.06975	2.7
254.09363	1.8
254.13087	2.6
255.10127	16.5
259.09897	2.1
265.08618	4.0
268.07135	2.1
269.08051	5.4
269.15344	17.5
272.10550	2.2
273.11295	1.8
283.09695	25.9
284.10281	6.2
287.13239	8.2
287.16379	7.9
297.11664	2.2
297.14780	7.2
315.08411	5.8
315.12241	42.2
315.15881	22.8
315.19412	2.6
315.23120	1.8
316.12656	3.3
333.92450	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	9.9
55.01853	28.1
55.05505	41.3
57.03416	28.7
57.03669	5.4
61.02912	13.7
65.03938	8.5
67.05483	22.1
69.03419	47.5
69.07066	31.5
69.34827	42.2
69.35256	16.8
71.01340	11.0
71.04981	79.0
73.02907	15.8
79.05485	32.4
81.03419	32.9
81.07047	60.2
81.36328	5.6
83.04963	19.2
83.08601	7.4
85.02897	88.6
91.05476	59.3
92.17376	5.4
93.07033	75.9
95.04965	28.6
95.08595	29.5
97.02882	24.7
97.06513	18.5
99.04451	14.4
102.93184	5.7
103.03931	19.9
105.07005	94.8
107.04928	20.8
107.08583	91.5
109.02824	11.4
109.06483	44.8
109.10155	21.3
111.04411	8.2
111.08099	9.7
115.03887	19.7
115.05412	14.9
116.64056	5.9
117.07016	21.7
119.04911	6.7
119.08564	92.7
120.24187	5.5
121.06499	76.3
121.10135	21.0
122.06821	43.1
122.21299	6.4
123.04450	16.1
123.08038	33.6
125.09630	8.1
127.03922	15.8
128.06166	11.9
129.05473	12.2
129.06981	14.9
130.07796	6.8
131.04933	8.3
131.08524	45.3
133.04961	19.2
133.06412	9.4
133.10156	13.2
135.08032	27.8
135.11690	58.7
137.02495	6.6
137.05969	23.5
137.09601	23.2
137.13170	9.0
138.06242	6.4
143.04935	7.0
143.08522	31.9
145.04947	7.7
145.06406	11.0
145.10132	43.8
147.08029	62.9
147.11682	21.7
149.05930	6.7
149.09622	16.8
151.03880	23.0
151.07553	12.8
151.11140	18.8
152.04219	11.0
153.04338	10.9
153.05510	9.2
153.07001	11.4
153.09084	7.2
153.12712	25.0
155.08446	6.4
159.08058	18.9
159.11655	19.2
161.05952	24.6
161.09552	9.2
163.03917	15.3
163.07492	10.9
163.11234	30.6
165.06970	12.2
165.12726	80.2
166.07704	10.0
167.08549	11.5
169.06398	6.5
171.07977	8.4
173.09567	33.1
173.13249	24.0
175.03833	7.1
175.07510	27.3
176.07877	12.3
177.06905	8.6
177.12776	25.8
183.11646	10.6
185.13301	7.4
189.04135	6.3
189.09097	6.7
189.12712	25.1
191.10622	16.1
193.06641	8.2
194.07336	6.7
195.08029	26.3
195.13791	10.9
197.13132	8.5
201.12830	7.7
207.13701	12.3
208.05051	9.0
211.07550	10.5
212.08176	7.3
223.07516	19.0
231.13774	17.8
237.05435	9.5
237.09004	7.2
240.07722	16.9
241.08658	9.7
251.07036	13.2
252.10909	11.3
254.09309	8.6
255.10091	26.1
261.14862	25.5
265.08459	8.4
269.08084	13.9
279.15793	16.0
283.09561	45.8
284.10416	9.9
284.13565	26.0
297.11243	11.2
297.17053	20.9
315.05133	8.8
315.08719	11.8
315.12238	82.8
315.17734	100.0
316.12354	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	315.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	12.9
53.35778	5.6
53.78913	5.7
55.01860	26.0
55.05511	45.3
57.03422	24.9
57.07067	6.1
59.04985	11.8
61.02911	23.7
65.47939	5.7
67.05499	29.7
69.03422	38.5
69.07046	27.2
69.21476	9.4
69.21886	61.2
71.01324	15.5
71.04982	62.5
73.02925	29.6
79.05471	29.9
81.03402	23.0
81.07053	55.7
83.04969	22.1
85.02902	67.0
85.06537	8.0
87.04458	7.2
91.05466	58.1
93.07040	65.7
95.04951	20.7
95.08597	25.6
97.02869	31.8
97.06502	11.1
98.21455	13.0
99.04436	7.3
99.08110	6.2
103.03929	14.6
105.07008	78.3
107.04953	14.5
107.08581	72.7
109.06512	51.2
109.10133	24.1
115.03923	17.2
115.05462	9.7
117.07016	15.3
119.04954	8.4
119.08560	69.6
121.06506	36.8
121.10124	26.7
122.06824	14.0
122.39501	6.3
123.04427	9.8
123.08023	35.0
123.11720	7.4
127.03878	11.2
129.07018	14.0
131.04889	9.2
131.08569	39.9
132.26627	7.0
133.04961	27.5
133.06436	8.1
133.10106	16.8
135.08044	15.4
135.11659	37.1
137.02353	15.1
137.06020	13.9
137.09610	12.1
137.13275	8.7
143.08534	12.0
145.06439	7.8
145.10136	33.6
147.08041	42.3
147.11638	17.3
149.09607	15.2
151.11147	16.8
153.12733	19.6
157.10123	10.4
159.08061	13.6
159.11647	11.3
161.05975	7.9
161.09595	8.2
163.11154	27.0
165.01791	7.3
165.12724	100.0
170.77950	7.2
171.07983	9.9
171.11777	7.1
173.09602	28.1
173.13312	11.5
175.07513	12.0
177.12737	28.5
183.11681	10.0
189.03966	7.6
189.08981	8.8
189.12787	20.0
190.04932	10.6
191.10693	13.4
195.13852	7.8
197.22765	6.2
207.13734	21.0
219.13785	17.3
231.13795	14.7
237.14856	7.7
254.09244	6.3
261.14853	18.5
265.08630	9.0
269.07950	9.9
279.15930	13.3
283.09561	17.5
285.25696	7.4
297.11298	10.4
297.17105	16.3
314.92880	6.4
315.05069	67.0
315.08621	11.6
315.12048	12.8
315.17801	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09867	6.8
53.03938	15.6
55.01852	29.2
55.05503	51.8
57.03423	40.9
57.07055	9.9
57.95871	6.3
59.05001	10.8
61.02908	22.1
63.25364	6.4
67.05489	20.5
69.03429	52.8
69.07057	27.9
69.86720	34.6
71.01328	9.6
71.04984	69.6
73.02905	37.9
75.04459	6.4
79.05468	26.9
81.03401	30.8
81.07037	67.0
83.04974	17.9
83.08610	9.9
85.02896	89.5
87.04443	12.6
88.90839	6.7
91.05463	44.5
93.07027	51.2
95.04958	27.4
95.08581	25.4
97.02898	32.8
97.06516	14.9
98.21436	9.0
103.03926	20.4
105.07015	68.4
107.04928	22.3
107.08580	66.7
108.66908	6.6
109.02844	7.2
109.06507	46.2
109.10133	25.0
111.08063	18.1
115.03899	21.2
117.07008	22.3
119.08562	65.9
121.06490	15.9
121.10123	24.2
123.04417	33.2
123.08066	26.7
124.07551	26.6
125.09663	6.7
125.13274	9.3
127.03909	18.5
127.92097	7.7
128.06192	6.3
129.05476	11.9
129.07014	10.6
130.07758	9.8
131.04912	10.7
131.08522	33.7
133.04947	29.8
133.06476	19.9
133.10115	12.0
135.04378	10.6
135.08028	22.5
135.11679	23.5
137.05988	14.4
137.09573	16.5
138.09134	15.7
139.03897	9.2
139.11124	7.2
143.08516	16.1
145.04962	9.3
145.06522	12.3
145.10100	38.2
147.04347	16.2
147.08015	37.7
147.11661	15.1
149.09615	12.9
151.07533	21.5
151.11156	17.9
153.12729	24.6
155.08545	10.8
159.08070	10.2
159.11656	8.5
161.05943	13.6
161.09637	6.8
161.13264	8.7
163.03978	32.7
163.11136	25.9
165.05473	10.1
165.12741	100.0
169.12218	16.0
173.09616	26.6
175.07495	14.6
177.05486	23.4
177.12732	25.3
181.12262	18.4
188.03648	17.4
189.04005	22.3
189.12735	9.5
190.03320	8.3
191.10666	8.3
194.07237	8.3
195.08086	9.8
195.13789	25.3
207.13673	8.5
219.13817	19.8
223.07422	8.6
231.13809	14.8
243.13803	14.1
261.14868	16.5
265.08234	7.3
266.08786	7.6
279.15829	18.3
283.09573	9.7
297.16953	25.7
315.08398	19.6
315.11612	9.3
315.14493	13.3
315.18011	31.6
316.14026	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	315.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.2
55.01853	23.6
55.05508	52.5
56.59929	5.7
57.03432	32.5
59.04985	7.4
61.02908	20.5
67.05489	26.0
68.16116	5.3
69.03410	36.8
69.07050	23.9
69.84648	36.4
71.01369	7.6
71.04980	100.0
71.38667	5.2
73.02904	23.6
79.05486	36.6
81.03407	25.9
81.07053	48.7
83.04932	7.5
85.02896	79.3
87.04443	11.5
90.54192	5.5
91.05475	69.7
93.07025	51.6
95.04957	23.5
95.08603	27.1
95.69792	5.4
97.02890	28.2
97.06551	9.0
98.21455	6.4
99.04401	5.6
103.03940	18.9
105.07018	99.0
107.04951	17.5
107.08578	70.0
109.02838	6.7
109.06538	38.7
109.10145	21.8
111.04396	10.9
111.08045	9.5
111.89194	6.4
115.03902	12.0
115.05450	7.9
117.06963	28.2
119.04919	11.4
119.08571	82.8
121.06545	27.4
121.07259	6.0
121.10117	20.0
123.04407	16.3
123.08060	45.8
124.07621	5.6
125.05954	7.9
127.03923	8.3
128.06171	14.4
129.05476	10.8
129.07010	15.7
130.07834	6.1
131.04817	6.3
131.08565	54.1
133.04956	20.9
133.06470	15.5
133.10124	20.6
135.08026	18.3
135.11685	20.2
137.05925	10.6
137.09619	18.2
143.08548	36.2
145.06502	12.1
145.10097	48.7
147.04350	10.3
147.08038	70.7
147.11664	16.9
149.05984	7.0
149.09608	17.6
151.07625	9.4
151.11185	21.5
153.12720	24.5
154.08582	61.5
155.08522	11.8
157.10184	6.3
158.07227	6.8
159.08066	19.6
159.11690	18.3
161.05923	11.2
161.09578	12.5
162.06480	6.3
163.03908	7.3
163.07532	7.5
163.11134	22.2
165.12744	82.4
167.08551	6.0
168.09299	11.4
171.08017	15.8
171.11711	16.5
173.09604	39.5
173.13255	16.8
175.07565	15.4
177.05464	16.9
177.12721	25.0
183.08047	7.8
183.11685	16.1
189.12740	25.6
191.10672	13.5
193.08598	10.7
195.13763	8.2
201.12784	8.8
207.13725	13.2
219.13864	6.3
231.13788	24.7
236.92374	6.2
243.13841	10.1
255.10152	8.3
261.14832	20.9
265.08429	7.1
279.15933	7.8
283.09631	6.9
297.16956	15.3
315.08524	21.8
315.12057	12.0
315.14502	9.1
315.18054	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	315.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.3
53.11028	3.7
55.01862	18.6
55.05507	53.4
57.03434	40.0
57.07074	3.9
61.02917	18.7
65.03913	4.4
67.05492	17.4
69.03426	45.0
69.07061	17.9
69.46852	29.5
71.01337	9.6
71.04987	75.2
73.02912	30.2
79.05486	29.0
81.03409	18.2
81.07050	36.3
83.04958	12.0
85.02890	67.3
87.04444	8.5
91.05473	59.2
91.96474	4.6
93.07034	67.0
95.04961	24.1
95.08612	30.2
97.02900	20.8
97.06493	9.3
98.20766	6.4
99.04443	5.9
103.03928	14.0
103.05466	5.1
105.07017	78.9
107.04955	10.0
107.08588	70.6
109.02873	6.7
109.06521	38.9
109.10148	19.5
111.04395	6.4
111.08058	7.9
115.03905	21.5
117.06995	24.9
119.08578	66.4
121.06486	14.6
121.10139	15.9
123.04415	6.8
123.08054	37.8
123.11643	4.7
126.43912	4.4
127.03916	10.2
127.11173	3.9
128.06219	5.6
129.05482	5.5
129.07004	12.3
130.07761	6.0
131.08562	38.7
133.04935	29.7
133.06477	11.1
133.10101	9.8
135.08032	12.9
135.11690	24.1
137.06030	8.5
137.09593	15.3
139.11226	5.0
141.06935	3.8
143.08560	21.7
145.06473	9.5
145.10118	36.8
147.08046	44.4
147.11670	18.2
148.27541	3.7
149.09605	14.0
151.07425	5.9
151.11168	11.7
153.12735	21.5
155.08568	6.6
157.10202	5.3
159.08041	11.4
159.11707	19.9
161.06070	5.4
161.09567	5.8
161.13272	6.8
163.07536	4.4
163.11223	28.9
165.12746	100.0
171.08009	6.5
171.11615	5.1
173.08165	5.5
173.09581	30.0
173.13177	11.0
175.07550	10.5
175.11180	5.0
177.12735	29.5
179.10704	5.4
179.14365	5.6
181.12279	4.6
183.11600	6.9
187.11200	4.4
189.09108	4.9
189.12697	25.1
191.10670	13.3
193.08530	7.2
195.08075	4.0
195.13773	9.0
201.12708	11.6
207.13782	13.2
211.09444	6.6
215.14336	7.0
219.13829	22.2
231.13788	14.3
243.13797	7.9
255.09937	4.8
261.14819	25.1
269.85818	4.4
279.15802	15.0
283.09570	8.9
285.92230	4.3
287.71899	4.3
297.17178	9.4
315.12210	7.9
315.18018	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.0
55.01870	18.7
55.05505	51.2
55.90678	3.1
57.03438	24.4
57.07057	8.0
58.49453	2.9
59.04993	18.5
61.02927	25.8
65.03922	3.9
67.05494	32.2
69.03425	44.5
69.07058	70.3
71.01336	13.1
71.04973	11.9
71.13438	7.4
73.02895	21.9
79.05483	34.6
81.03398	12.8
81.07048	88.2
83.04492	4.7
83.04971	89.5
83.08605	7.9
85.02887	43.5
85.06509	18.9
87.04475	3.9
91.03947	5.0
91.05463	49.2
93.06483	6.7
93.07034	98.6
95.04955	45.2
95.08591	70.6
97.02880	25.8
97.06506	29.3
97.10126	5.0
99.04433	6.0
99.08081	8.1
99.11596	3.2
100.51134	3.1
103.03938	26.2
105.07027	55.0
107.04932	15.1
107.08577	100.0
109.02892	9.0
109.06488	20.4
109.10140	36.1
111.04421	5.6
111.08051	11.1
113.05937	5.4
115.03939	19.6
115.05415	4.8
117.07030	15.5
119.04939	3.7
119.07795	4.2
119.08567	41.3
121.06460	18.5
121.09322	6.0
121.10133	74.7
122.96687	3.7
123.04456	15.7
123.08076	19.9
123.11676	20.1
125.06026	4.7
125.09599	8.8
127.03912	5.8
129.05452	4.5
129.06972	8.3
131.04877	5.0
131.08563	19.3
133.04968	19.8
133.06442	7.9
133.10117	24.2
135.04419	4.8
135.08046	31.5
135.11687	47.6
137.05959	11.8
137.09552	25.3
137.13242	18.3
139.07489	5.2
139.11134	5.0
141.09119	3.2
143.08511	6.4
144.09323	6.0
145.06459	5.6
145.10089	9.1
147.08031	10.7
147.11679	23.3
149.05951	5.0
149.09590	32.8
149.13190	11.5
151.07530	22.9
151.11133	28.2
153.05426	8.1
153.09093	7.6
153.12727	29.8
157.10037	4.6
159.07974	7.9
159.11646	16.6
161.05952	11.7
161.09589	12.3
161.13252	5.4
163.03937	4.4
163.07509	9.0
163.11124	25.3
165.05486	7.8
165.06894	6.6
165.09108	8.9
165.12733	82.8
167.10550	4.1
173.13148	6.5
175.11172	8.7
177.05432	5.1
177.09091	12.6
177.12730	38.3
179.10654	7.3
179.14326	18.1
181.08574	6.8
181.10320	3.1
183.13803	3.3
187.11034	5.7
189.12718	10.8
191.10696	6.1
191.14232	7.0
193.12251	8.4
195.07980	8.6
195.10060	5.1
195.13745	20.2
201.12727	8.2
205.08711	3.0
205.12192	5.8
207.13771	37.6
208.05161	4.6
212.58620	3.3
215.14308	4.9
219.13675	15.1
223.07556	8.1
223.09579	6.0
231.13757	9.1
233.15457	5.9
237.09029	5.3
237.14723	17.3
239.12733	4.0
240.07755	5.8
241.10744	5.4
243.13586	5.9
251.06946	4.1
255.10089	6.0
261.14877	14.5
265.08362	3.2
268.69937	3.9
279.15906	27.7
283.09543	25.7
297.16922	61.6
315.08618	7.9
315.12958	38.5
315.18033	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	315.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.6
55.01852	22.6
55.05496	47.4
57.03419	16.4
57.07066	17.6
59.04997	19.1
61.02920	25.0
64.04130	6.9
67.05497	34.9
69.03426	59.3
69.07061	83.6
69.43595	45.9
71.01352	14.0
71.04982	38.8
73.02914	27.6
74.35237	5.9
79.05489	36.9
81.03422	33.8
81.07052	52.5
83.04995	74.4
83.08629	17.9
85.02895	92.7
85.06530	14.9
91.05479	51.2
93.07038	100.0
95.04971	54.5
95.08594	56.6
97.02896	35.8
97.06528	31.4
99.04445	17.8
103.03944	25.0
105.07033	81.0
107.04919	16.4
107.08579	88.6
109.02860	22.9
109.06496	28.9
109.10135	45.7
111.04433	10.5
111.08076	14.4
115.03912	18.2
116.08705	7.5
117.07017	17.2
119.04916	8.8
119.07872	7.6
119.08586	57.6
121.06496	23.4
121.10122	54.1
123.04475	13.4
123.08057	23.5
123.11671	18.7
125.05979	10.0
125.13259	16.8
127.03877	15.8
129.05469	12.0
129.07024	9.1
131.04944	14.4
131.08574	41.4
133.04930	16.5
133.10123	28.3
135.04388	18.2
135.08054	30.3
135.11685	50.8
137.05971	29.4
137.09590	24.6
137.13251	9.1
139.11140	6.8
143.08586	14.6
145.04938	9.9
145.10065	30.7
147.08061	28.9
147.11690	23.7
149.05968	10.4
149.09630	35.7
149.13260	16.3
151.07526	18.4
151.11201	29.0
153.05466	26.2
153.12726	55.4
157.10095	12.2
159.08183	7.8
159.11696	16.9
161.05948	15.6
161.09607	16.1
161.13202	8.8
163.03888	15.2
163.11131	30.8
165.05431	30.8
165.06834	11.2
165.12753	79.8
167.08569	15.6
173.09613	21.1
175.11284	14.0
177.09142	10.9
177.12720	29.9
179.10680	9.7
179.14355	17.1
180.09277	6.5
180.11153	6.9
181.12228	8.6
183.11591	7.1
189.12743	13.0
191.10675	6.7
194.07199	12.6
195.08072	24.6
195.13745	10.5
196.08902	8.3
199.10970	7.1
201.09163	6.8
201.12729	9.9
207.13770	25.4
215.14253	8.1
219.13762	14.7
223.07555	21.4
237.09100	7.0
240.07901	10.8
255.10159	21.4
261.14896	16.5
265.08575	10.7
269.08081	7.6
279.15887	17.3
283.09589	48.0
284.10641	7.2
287.09116	7.8
297.17014	26.4
315.05103	15.1
315.08572	28.9
315.12286	41.4
315.18188	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90900	0.3
53.03928	0.8
54.54845	0.4
54.94767	0.3
55.01863	0.9
55.05493	0.4
57.03420	0.6
61.02912	1.6
67.00845	0.3
67.05503	0.5
69.03078	0.5
69.03421	5.6
69.07055	0.6
70.06573	0.6
71.04968	0.3
71.47744	0.6
72.08124	0.5
73.02899	1.0
78.41911	0.3
78.67748	0.3
79.05481	1.7
80.05025	0.7
81.03423	2.4
81.05776	0.5
81.07055	3.5
82.06567	1.4
83.04987	0.3
84.04488	0.4
84.08129	0.3
85.02897	9.2
86.09685	1.4
87.04452	0.5
91.03957	0.6
91.05484	4.6
93.05766	1.4
93.07046	1.6
93.07574	0.3
94.06553	1.0
95.04955	1.3
95.75905	0.3
96.08116	5.1
97.02889	3.6
99.04462	0.5
103.05424	0.4
105.06994	0.5
107.04948	0.5
108.08105	19.8
109.02847	1.1
109.06487	1.5
109.10171	0.5
110.06057	1.5
115.05428	0.4
115.39573	0.3
116.07097	0.5
118.05722	0.4
118.06513	0.7
119.04944	0.7
121.06485	0.4
122.99287	0.3
123.04414	3.0
123.06780	0.9
124.07581	21.1
127.03929	1.9
130.06479	0.4
131.04973	0.4
135.04289	0.3
136.07562	14.0
137.05949	2.8
138.09106	0.4
139.03856	0.8
145.04976	1.1
147.04387	1.2
149.05957	0.4
150.09149	0.5
151.07513	0.4
153.05408	0.4
154.08614	100.0
155.08940	1.4
161.06102	0.7
161.09557	0.4
163.03909	0.6
165.05473	4.6
166.08585	1.5
178.08646	1.1
188.07047	0.4
196.09639	0.6
207.08206	0.3
208.25191	0.3
224.07811	0.3
229.58307	0.4
239.07390	0.4
253.08566	0.4
256.10431	0.4
257.08023	0.5
284.10016	0.6
299.09308	1.1
316.08365	0.6
316.14658	2.2
317.06488	0.7
317.10400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.0
63.19215	1.1
64.17429	1.0
69.03446	2.4
69.64714	7.7
79.05473	1.0
81.07056	1.8
85.02911	1.3
93.07034	1.4
98.06068	1.5
98.21516	1.4
109.06522	3.4
110.06059	1.6
123.04388	1.9
137.05969	4.0
139.06235	1.6
143.04897	2.0
154.08621	100.0
155.08968	1.6
165.05510	1.6
169.61528	1.1
178.08643	4.7
229.98222	1.0
288.14319	1.2
299.09152	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01839	1.5
55.05490	0.5
56.96306	0.7
56.96558	11.8
57.03434	2.6
57.03658	0.5
59.04980	1.0
61.02919	3.3
65.03929	1.1
67.05507	3.1
67.27365	0.6
68.01354	0.5
69.03427	7.6
70.06558	0.6
70.77279	1.7
70.98104	1.1
71.04973	1.5
72.08147	0.6
73.02905	2.8
79.05464	1.2
80.04962	0.5
81.03405	4.5
81.04508	0.7
81.07032	1.8
83.04949	1.5
84.08136	0.8
84.96005	1.1
85.02894	16.3
86.37900	0.6
87.04433	1.8
89.03891	2.0
91.03938	1.0
91.05463	9.5
91.75131	0.6
93.05752	0.9
95.02426	1.8
95.04954	0.9
97.02389	0.5
97.02886	6.9
98.97577	9.0
99.04462	1.1
101.00874	1.1
106.06555	0.8
107.04939	1.2
108.08106	9.1
109.02847	1.9
109.06493	1.1
110.06069	0.6
110.97544	2.2
111.04382	0.6
112.99112	0.6
115.02440	0.6
116.98609	8.8
117.03359	1.2
118.06512	1.9
119.01881	5.2
119.04923	6.3
120.01997	0.7
122.07034	0.6
123.06805	1.2
124.02785	0.5
124.07570	1.9
124.99084	0.6
127.03916	4.1
127.04770	0.8
128.02321	0.6
128.98582	1.9
130.44279	0.5
131.00182	0.6
131.01868	1.9
132.96408	0.5
133.01678	0.5
133.03435	0.8
134.05980	1.1
134.99648	4.1
135.04356	3.9
136.05052	2.1
136.07562	100.0
137.03001	1.2
137.05960	49.1
137.08040	1.6
138.05455	1.7
138.06413	0.5
138.09134	1.9
140.02307	0.5
140.10147	0.5
141.05534	0.6
143.00117	2.5
143.01872	1.3
145.01704	1.2
145.02693	0.6
145.03488	1.0
145.04956	2.7
146.05063	0.9
146.99626	2.2
147.04388	2.2
148.07597	1.0
149.02907	1.6
150.05482	1.0
152.05629	1.5
152.07018	2.1
154.03984	2.9
154.06075	11.4
154.08611	75.0
155.01932	0.6
157.03416	1.0
158.99631	2.3
159.03311	0.8
161.01244	1.8
161.02945	2.9
161.04674	0.6
163.02600	1.4
163.03862	11.9
164.04237	1.2
164.07028	1.1
165.00687	0.9
165.07393	1.6
165.54729	0.5
166.08627	4.1
167.05606	0.7
169.03413	0.7
171.05063	0.7
172.94324	0.6
172.97650	0.6
173.01282	1.2
173.02994	1.8
174.04449	0.7
175.04420	1.4
175.97743	0.5
176.07129	0.8
177.00708	2.5
177.04208	0.7
178.00996	0.6
183.05061	0.6
185.01253	0.9
185.02907	0.9
187.02768	0.6
189.00769	1.2
189.02498	0.6
190.95421	0.8
190.98560	3.5
191.02336	1.0
192.98669	0.8
194.08064	3.7
195.08873	1.9
197.06380	0.8
199.04463	0.7
201.00801	0.5
203.02371	1.2
203.04031	0.9
204.05527	0.5
208.96021	0.5
208.99702	0.9
212.07091	0.9
217.05357	0.6
218.98148	0.7
219.01694	3.2
221.05112	1.4
224.08041	1.8
226.05836	4.1
227.07054	0.8
232.96431	1.4
232.99666	1.1
233.63182	0.5
235.06477	1.8
236.07204	0.5
237.02737	3.5
237.06094	0.6
249.02892	1.5
251.00627	1.2
252.09998	0.9
256.04758	0.5
256.96646	0.5
257.01456	0.7
259.06610	1.4
261.02881	0.7
267.03909	1.2
270.11331	0.9
274.97446	2.0
285.00925	0.6
285.04721	1.0
292.98627	2.0
316.08530	5.0
316.13937	51.0
317.05679	0.9
317.14407	0.8
334.09076	0.7
335.06686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.05516	5.3
56.05029	4.3
57.03443	0.7
57.07078	2.7
60.04523	100.0
61.04867	0.6
67.05500	10.6
67.77945	0.7
68.05003	0.7
69.03436	0.8
69.07072	6.0
70.06586	0.8
70.07764	3.4
71.04994	0.6
71.08639	1.4
72.04511	2.4
74.06062	3.1
75.25096	0.9
79.05479	4.7
80.04993	1.0
81.07052	12.3
82.06568	1.2
83.08614	4.7
87.04459	3.5
88.07646	1.0
90.05574	1.2
91.05473	4.7
93.07044	4.0
94.06545	0.7
95.04954	1.7
95.08599	9.6
96.08174	0.6
96.08955	1.7
97.10178	1.8
97.39784	0.7
100.07604	0.7
105.07040	2.3
107.08566	3.1
109.10149	6.1
111.11720	0.8
114.94153	0.6
119.08577	2.1
121.06507	3.4
121.10149	2.6
123.08128	0.7
123.11728	3.3
124.12078	0.7
125.06063	0.7
125.13257	0.6
133.10146	1.0
135.08122	0.9
135.11687	0.9
137.09615	1.6
137.13269	3.3
138.13594	2.5
147.04384	0.8
147.07751	1.0
149.06007	5.8
151.07532	6.8
151.14795	0.9
152.07896	2.8
153.05457	1.0
161.05907	1.1
163.07272	1.3
165.05583	0.9
165.09111	1.4
175.07559	0.8
177.05458	5.0
177.09068	1.1
178.09489	1.1
178.16791	0.7
179.06984	0.7
187.07588	2.3
189.09061	1.1
191.10597	0.6
192.11064	0.9
193.08673	0.7
195.06526	2.6
201.09013	1.0
215.10690	1.2
216.06453	0.6
219.06526	0.9
233.08107	3.5
245.22586	0.6
247.09761	1.1
250.25244	0.9
254.24751	0.9
256.26440	1.8
262.25211	1.2
271.14215	0.9
271.16833	5.1
280.26300	11.6
284.09998	0.8
285.10919	0.9
298.27411	10.3
316.09125	0.8
316.12686	2.6
316.16125	1.4
316.28442	36.9
317.06622	2.1
317.17346	2.1
317.21121	2.2
317.28775	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	316.2845
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03941	0.8
55.05510	5.8
55.81898	0.5
56.05035	4.6
57.03446	0.9
57.07067	2.3
58.02941	0.9
60.04524	100.0
61.04861	0.6
65.03963	0.7
67.05508	8.8
69.07071	6.2
70.90562	1.2
70.90925	0.8
71.08629	1.2
72.04519	2.2
74.06087	2.0
79.05490	5.6
80.05025	1.1
81.03386	0.6
81.07050	8.3
82.06594	1.5
82.07413	0.5
83.04993	0.8
83.08621	3.5
83.27451	0.6
85.10151	0.8
86.06081	1.2
87.04470	2.5
90.05572	1.5
91.05483	3.8
93.07047	3.6
95.04976	1.3
95.08607	7.7
96.08128	1.0
97.06515	1.3
97.10141	1.1
98.06174	0.6
105.07047	2.4
107.08603	2.3
109.10148	3.7
119.08598	2.1
121.06506	2.1
121.10155	2.6
123.11731	0.9
133.10149	1.7
135.11684	1.3
137.05984	1.3
145.10013	0.7
147.34587	0.6
149.05986	2.0
151.07542	1.2
152.07942	0.7
175.07330	0.6
177.05501	1.5
212.23819	0.6
228.39139	0.6
250.25369	0.9
256.26337	1.3
262.25302	1.6
280.26349	13.2
281.26596	0.9
298.27393	11.9
316.12704	1.8
316.28445	35.9
317.06516	1.9
317.13525	0.9
317.21075	0.9
317.28775	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.05516	5.3
56.05029	4.3
57.03443	0.7
57.07078	2.7
60.04523	100.0
61.04867	0.6
67.05500	10.6
67.77945	0.7
68.05003	0.7
69.03436	0.8
69.07072	6.0
70.06586	0.8
70.07764	3.4
71.04994	0.6
71.08639	1.4
72.04511	2.4
74.06062	3.1
75.25096	0.9
79.05479	4.7
80.04993	1.0
81.07052	12.3
82.06568	1.2
83.08614	4.7
87.04459	3.5
88.07646	1.0
90.05574	1.2
91.05473	4.7
93.07044	4.0
94.06545	0.7
95.04954	1.7
95.08599	9.6
96.08174	0.6
96.08955	1.7
97.10178	1.8
97.39784	0.7
100.07604	0.7
105.07040	2.3
107.08566	3.1
109.10149	6.1
111.11720	0.8
114.94153	0.6
119.08577	2.1
121.06507	3.4
121.10149	2.6
123.08128	0.7
123.11728	3.3
124.12078	0.7
125.06063	0.7
125.13257	0.6
133.10146	1.0
135.08122	0.9
135.11687	0.9
137.09615	1.6
137.13269	3.3
138.13594	2.5
147.04384	0.8
147.07751	1.0
149.06007	5.8
151.07532	6.8
151.14795	0.9
152.07896	2.8
153.05457	1.0
161.05907	1.1
163.07272	1.3
165.05583	0.9
165.09111	1.4
175.07559	0.8
177.05458	5.0
177.09068	1.1
178.09489	1.1
178.16791	0.7
179.06984	0.7
187.07588	2.3
189.09061	1.1
191.10597	0.6
192.11064	0.9
193.08673	0.7
195.06526	2.6
201.09013	1.0
215.10690	1.2
216.06453	0.6
219.06526	0.9
233.08107	3.5
245.22586	0.6
247.09761	1.1
250.25244	0.9
254.24751	0.9
256.26440	1.8
262.25211	1.2
271.14215	0.9
271.16833	5.1
280.26300	11.6
284.09998	0.8
285.10919	0.9
298.27411	10.3
316.09125	0.8
316.12686	2.6
316.16125	1.4
316.28442	36.9
317.06622	2.1
317.17346	2.1
317.21121	2.2
317.28775	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	0.7
68.99783	0.7
70.02044	1.8
79.63511	0.3
92.02621	3.0
93.03409	3.0
98.21459	0.4
111.00765	0.5
121.02884	1.7
126.03147	1.1
137.02325	0.9
139.03851	1.7
151.03885	1.6
153.01813	17.6
154.02130	0.4
163.03877	0.7
165.01822	1.5
177.05508	0.5
183.04413	0.3
187.03835	0.5
200.04691	0.9
201.05499	2.3
203.03365	1.8
217.04987	3.3
218.05725	1.3
219.02925	0.8
228.04190	3.7
229.04947	7.2
231.02892	1.1
245.04439	3.3
246.05199	3.4
256.03610	0.5
257.04419	4.5
258.05222	0.4
260.03149	0.6
261.07520	0.7
273.03900	3.8
274.04718	7.2
284.03268	1.0
285.03946	8.3
286.04401	0.5
288.06146	0.4
302.04202	23.8
303.04370	0.5
317.06540	100.0
318.06815	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	317.065
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
56.03027	0.2
60.31026	0.2
65.03958	0.7
67.01905	0.2
67.58325	0.2
68.99807	0.7
69.65070	0.8
69.65480	0.4
78.51426	0.2
92.02612	3.8
92.03166	0.2
93.03391	3.3
95.04929	0.2
98.20714	0.2
105.03404	0.2
109.02826	0.3
111.00806	0.4
120.02093	0.2
121.02833	2.2
121.03567	0.2
122.03645	0.5
123.04495	0.2
126.03123	1.1
129.06967	0.2
131.04889	0.2
137.02368	0.5
139.03908	1.2
150.03246	0.2
150.72292	0.2
151.03914	1.3
153.01804	19.1
155.04936	0.5
158.47841	0.2
160.67993	0.2
161.05949	0.3
163.03915	0.4
165.01828	1.1
166.02679	0.4
173.05959	0.4
177.01982	0.2
177.05449	0.4
179.03471	0.4
183.02841	0.4
183.04407	0.4
187.03880	0.3
189.05556	0.2
192.04256	0.3
200.04657	0.9
201.05446	1.8
203.03377	1.9
204.04193	0.2
211.03975	0.2
217.04938	3.4
218.05666	1.8
219.02893	0.7
228.04140	4.0
229.04936	7.7
230.05511	0.4
231.02882	1.7
231.45369	0.2
232.03641	0.2
245.04434	4.2
246.05185	3.7
256.03653	0.6
257.04398	4.4
258.05057	0.3
260.03177	0.7
261.07526	0.4
271.05991	0.5
273.03876	3.4
274.04681	7.3
284.03134	1.1
285.03882	7.5
286.04547	0.3
287.01773	0.3
288.06268	0.3
301.03433	0.6
302.04175	22.4
303.04581	0.6
315.67395	0.2
317.06509	100.0
318.06851	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
62.56204	0.1
65.03952	0.7
65.04250	0.1
67.01890	0.2
68.99805	0.6
69.03426	0.1
69.44276	1.2
77.13417	0.1
90.96203	0.2
92.02618	3.3
93.03400	2.9
93.03960	0.2
94.04192	0.3
109.02892	0.2
110.60916	0.2
111.00800	0.3
119.16768	0.1
120.24191	0.2
121.02862	2.2
122.03658	0.2
123.04440	0.2
123.68002	0.1
124.01633	0.2
126.03149	1.3
131.04921	0.2
135.04446	0.2
137.02357	0.6
137.05936	0.1
138.64282	0.1
139.03899	1.4
143.80298	0.1
145.06511	0.2
147.04405	0.3
149.02368	0.3
150.03116	0.2
151.03883	1.4
151.04959	0.2
152.00951	0.3
153.01820	17.6
155.04909	0.4
161.06003	0.3
163.03938	0.4
165.01817	1.1
165.05524	0.4
166.02621	0.3
173.05981	0.4
177.01898	0.2
177.05479	0.4
179.03416	0.2
183.02884	0.4
183.04451	0.4
187.03976	0.3
189.05620	0.3
190.06320	0.2
192.04184	0.2
200.04677	1.0
201.05482	1.5
203.03365	1.6
204.04199	0.2
205.05022	0.2
211.03934	0.3
213.05429	0.1
217.04951	3.0
218.05719	1.2
219.02901	0.7
228.04161	3.6
229.04941	7.3
231.02814	1.0
232.03600	0.3
233.04585	0.2
239.03395	0.3
243.06516	0.2
245.04463	3.9
246.05212	3.1
256.03735	0.4
257.04425	5.0
260.03302	0.9
261.07581	0.6
271.06033	0.3
273.03943	3.1
274.04700	7.1
275.05035	0.1
284.03146	0.9
285.03925	8.0
286.04599	0.3
287.01935	0.2
288.06064	0.3
299.05725	0.2
301.03500	0.4
302.04199	21.3
303.04541	0.2
317.06534	100.0
318.06882	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	317.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95511	0.1
51.02390	0.2
55.01882	0.3
57.85427	0.1
60.66982	0.1
61.73143	0.1
62.02491	0.1
65.03928	0.8
67.05505	0.5
68.99799	0.6
69.03432	0.5
69.50443	0.9
69.50853	0.4
79.05502	0.4
81.03431	0.4
81.07060	0.7
83.05006	0.2
85.02950	0.2
85.06535	0.5
91.05472	0.5
92.02617	3.6
93.03403	2.7
93.07050	0.4
95.04950	0.2
95.08620	0.5
103.05451	0.2
105.07018	0.4
107.04934	0.2
107.08568	0.4
109.02869	0.5
109.06577	0.2
111.00823	0.3
111.04494	0.2
115.05497	0.2
117.07043	0.3
119.04915	0.2
119.08563	0.2
121.02856	2.3
121.06525	0.4
122.03680	0.3
123.04430	1.0
126.03109	1.2
127.03960	0.2
131.04924	0.4
133.02827	0.3
133.06471	0.2
135.04430	0.4
135.08104	0.2
137.02325	0.5
137.05959	1.3
139.03900	1.6
141.05475	0.2
145.06464	0.3
145.10132	0.2
147.04425	0.5
149.09557	0.2
149.13174	0.2
150.03111	0.2
151.03903	1.6
151.07553	0.2
153.01813	19.0
155.04903	0.4
161.05988	0.5
161.09593	0.3
161.13332	0.2
163.03874	1.0
165.01820	1.1
165.05478	1.6
166.02625	0.4
171.04454	0.4
173.05989	0.6
175.03967	0.2
176.04662	0.2
177.01874	0.4
177.05501	0.6
179.03467	0.3
183.02917	0.4
183.04437	0.4
187.03831	0.4
189.05498	0.5
191.03572	0.2
192.04022	0.2
193.05060	0.3
200.04611	0.8
200.30168	0.2
201.05437	1.8
203.03362	1.9
204.04204	0.2
206.59737	0.2
211.03752	0.2
211.07553	0.2
213.05603	0.3
217.04964	3.3
218.05708	1.6
219.02911	0.7
219.06407	0.2
228.04146	4.4
229.04935	8.4
230.05348	0.3
231.02820	1.4
232.03613	0.2
236.56827	0.2
239.03398	0.3
243.06474	0.3
245.04437	4.3
246.05215	3.5
256.03711	0.4
257.04446	5.0
258.05005	0.2
259.02402	0.3
260.03162	0.8
261.07568	0.5
267.06250	0.3
271.06061	0.3
273.03903	4.1
274.04691	7.2
275.05032	0.2
284.03049	1.2
285.03912	7.6
285.11118	0.2
286.04340	0.5
287.01852	0.4
287.09308	0.2
287.12769	0.2
288.06177	0.4
289.11557	0.2
299.09183	1.5
299.12527	0.3
301.03494	0.4
302.04187	23.2
303.04547	0.5
317.06531	100.0
318.06903	3.2
327.89828	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.01845	0.3
55.05474	0.3
56.73240	0.2
58.35666	0.2
65.03919	1.0
67.05463	0.5
68.99747	0.6
69.03432	0.9
69.03709	0.2
71.03054	0.2
71.04996	1.0
71.52358	0.3
79.05460	0.4
81.03391	0.4
81.07011	0.5
85.02866	0.4
85.06520	0.3
91.05432	0.7
92.02615	4.1
93.03407	3.0
93.06985	0.5
95.04914	0.8
95.08555	0.4
105.03378	0.2
105.06981	0.5
107.04935	0.4
107.08540	0.3
109.02817	0.5
109.06484	0.5
109.10122	0.3
111.00774	0.3
111.04314	0.2
115.05391	0.2
117.05506	0.9
117.06987	0.2
119.04880	0.6
119.08559	0.3
121.02142	0.2
121.02856	2.5
121.06416	0.5
122.03628	0.5
123.04418	1.7
124.01546	0.2
124.05164	0.3
125.05964	0.2
126.03130	1.2
127.03868	0.2
127.07530	0.3
131.04875	0.4
131.08504	0.4
133.02773	0.3
133.10068	0.4
135.04422	0.3
137.02281	0.7
137.05978	1.2
139.03857	1.6
144.05716	0.2
145.06421	0.3
145.10052	0.3
147.04425	1.1
149.05917	0.3
151.03889	1.6
151.07535	0.3
152.01089	0.2
153.01819	18.8
155.04892	0.4
161.05959	0.8
161.09584	0.3
163.03813	0.7
165.01826	1.3
165.05479	3.2
165.06865	0.3
166.02519	0.4
167.06894	0.2
169.06490	0.2
171.04399	0.3
173.05980	0.6
176.04601	0.3
177.05438	0.7
179.03270	0.3
179.08870	0.3
183.02829	0.5
183.04355	0.4
187.03839	0.3
189.05499	0.2
190.06178	0.3
191.03485	0.3
192.04135	0.3
193.04922	0.2
194.85580	0.2
200.04700	0.8
201.05452	2.1
203.03346	1.8
204.04129	0.4
211.03995	0.2
211.07599	0.3
213.05479	0.3
215.03445	0.2
217.04959	4.0
218.05678	1.6
219.02872	0.6
225.09038	0.2
228.04137	4.1
229.04941	8.7
231.02870	1.7
233.04468	0.4
239.07019	0.2
243.06566	0.3
245.01884	0.2
245.04436	4.1
246.05202	3.8
246.07213	0.1
247.02321	0.3
256.03589	0.6
257.04431	5.6
258.05017	0.2
260.03098	1.0
261.03976	0.2
261.07626	0.5
271.06070	0.3
271.09943	0.4
273.03922	3.9
274.04694	7.9
275.05072	0.2
284.03271	0.9
285.03906	8.6
285.90887	0.2
286.04358	0.3
287.01889	0.3
288.06097	0.4
289.03351	0.3
299.09305	1.0
299.12799	0.3
301.03268	0.5
302.04184	23.4
303.04514	0.7
317.06534	100.0
318.06833	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	317.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01262	3.7
55.01873	8.9
56.96580	4.4
57.03434	4.5
61.02902	5.7
67.05508	10.2
68.99802	4.7
69.03415	17.6
69.07069	6.5
70.95810	12.1
71.01353	5.2
71.04990	4.4
79.05493	18.0
81.03414	21.1
81.07060	9.5
85.02899	46.1
91.05466	31.7
93.07058	10.5
95.04958	13.6
95.44118	4.6
97.02879	27.7
98.97573	8.5
103.05466	24.5
104.06203	7.9
105.07055	25.2
107.04942	39.1
107.08578	14.0
109.02882	7.8
109.06481	6.7
109.10146	6.1
116.98624	6.4
117.07011	9.7
118.97956	4.6
119.04922	10.1
119.08578	10.0
121.02794	5.1
121.06513	24.7
123.04449	12.6
127.03899	14.1
129.07016	14.0
130.88411	4.5
131.04927	17.5
132.05713	7.2
133.06511	20.9
133.10118	7.0
135.08017	9.1
137.05959	85.8
139.03886	7.1
141.05490	4.9
143.04964	5.3
143.08484	5.1
145.04947	7.0
145.06520	5.4
147.04424	11.2
147.08154	5.0
148.05205	5.1
149.05971	42.9
151.03790	5.6
151.07515	32.7
155.03387	36.6
155.07056	8.2
155.10722	5.1
155.11758	26.7
157.06448	12.6
161.05954	34.6
161.09644	9.9
163.07475	26.7
164.08337	100.0
165.05557	24.5
167.06998	10.4
168.05522	5.6
168.49614	4.5
173.05997	11.1
175.07567	15.7
179.07022	46.3
181.08623	40.1
185.05901	7.7
189.09108	7.0
191.07025	8.7
199.07587	5.5
201.05464	7.1
203.07034	32.9
204.07603	7.7
205.08665	8.8
213.75475	4.6
217.08998	4.7
221.07994	11.0
225.12732	5.4
227.07137	7.0
233.08092	12.5
236.15483	4.6
237.02843	7.7
245.08122	15.3
253.12282	5.1
263.09073	9.1
287.10321	10.1
317.06512	20.9
317.09564	5.4
317.14673	14.9
317.21146	16.3
335.09991	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	317.1016
Annotation	Cajanol
Peak:m/z	Relative Intensity
53.03940	1.6
55.01863	3.8
67.05489	2.1
68.77267	0.9
68.99785	4.3
69.03423	20.4
69.07065	1.4
71.39876	1.0
71.40205	1.2
75.26473	0.9
77.03937	1.0
79.05482	3.9
81.03419	2.5
81.07056	3.2
83.01324	1.5
85.02889	3.2
87.10082	1.1
91.05472	6.8
93.07043	1.5
95.04958	4.1
95.08595	2.1
96.08123	1.6
97.02885	2.0
99.04466	1.1
105.03401	1.0
105.07018	1.9
107.04960	2.8
108.08099	1.1
109.02890	2.7
109.06531	2.9
110.06013	2.0
111.04449	2.1
115.05469	1.3
115.07610	1.0
119.04911	9.3
119.08598	2.2
121.06461	2.0
122.03603	1.2
123.04419	56.5
124.07584	2.1
125.02383	2.5
125.07891	1.3
126.09164	1.3
127.07561	1.4
129.07022	1.5
131.04942	2.6
133.06494	1.2
135.04428	4.0
136.07555	1.0
137.02400	1.8
137.05968	18.7
137.07941	1.0
138.09123	3.6
139.03891	10.0
139.07526	1.2
141.05458	3.9
141.06969	1.9
143.04944	2.6
147.04399	22.5
149.05977	3.1
151.03885	7.0
153.01846	2.2
153.05461	5.8
153.06868	1.0
154.08701	4.7
155.03452	1.2
155.07056	2.8
155.08978	6.3
156.10185	18.0
157.06508	2.1
161.05975	10.1
161.09619	2.5
163.03886	12.7
165.01843	3.6
165.05467	100.0
166.05823	2.3
167.03334	1.2
169.06500	2.4
171.04407	3.9
175.07579	2.4
177.05487	4.5
179.07043	3.9
181.06572	1.0
183.02968	3.0
183.08060	2.0
185.05841	1.2
187.07555	1.4
189.05486	2.2
189.09135	4.7
193.04968	4.6
195.02975	1.3
195.06543	2.2
197.05995	2.8
203.07005	2.4
207.06476	7.0
211.07594	2.8
225.05479	2.4
238.06233	1.2
239.06982	2.4
243.06459	1.1
253.08594	1.0
257.05212	0.9
257.08066	4.6
267.06519	5.7
281.08066	2.1
287.10025	6.9
299.09106	31.4
300.09805	1.2
317.06485	8.0
317.10266	23.0
317.15686	2.2
329.02054	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1016
Annotation	Ougenin
Peak:m/z	Relative Intensity
55.01859	2.5
56.97395	1.4
65.03942	1.6
67.05492	2.9
68.99767	6.3
69.03422	17.2
69.07039	2.5
71.52655	2.7
75.28014	1.3
79.05492	6.8
81.03413	3.4
81.07066	6.8
82.31325	1.6
83.01338	2.6
85.02895	3.9
90.98030	1.3
91.05470	6.0
92.02625	1.9
93.07038	1.6
95.04947	6.0
95.08566	2.8
97.02888	3.5
105.07059	2.9
107.04935	4.1
107.08555	1.6
109.02869	3.2
109.06470	3.9
111.04451	1.5
115.05460	2.9
119.04932	7.1
119.08597	2.6
121.02840	2.0
122.03638	2.0
123.04413	48.6
123.05322	2.3
124.07581	3.0
125.02338	4.6
127.07558	2.0
131.04889	2.2
135.04398	7.7
137.05968	29.1
137.13252	2.6
139.03867	6.3
141.05450	4.3
141.06982	2.7
145.06458	1.8
147.04388	30.5
149.05942	4.5
151.03882	14.7
151.07527	1.7
153.01793	5.7
153.05432	8.1
153.06844	2.5
155.08511	2.4
157.06444	2.7
161.05937	12.2
161.09564	2.2
163.03877	25.4
165.01849	3.2
165.05461	100.0
165.06850	4.4
166.05896	1.6
169.06438	5.5
171.04347	7.3
175.03951	2.8
175.07506	2.6
177.05406	4.7
179.06975	4.1
181.06480	1.7
183.02771	1.8
183.08046	4.1
185.05933	1.8
189.05409	3.2
189.09084	6.6
193.03503	1.5
193.04953	8.7
193.06473	2.2
195.06532	4.4
197.05917	3.5
198.07857	5.3
199.07658	1.8
201.09039	1.7
203.07036	4.6
207.06519	6.5
211.07492	4.1
213.10211	5.7
215.06998	2.2
217.04951	2.4
225.05382	3.7
225.08900	1.7
228.04057	2.8
229.04912	2.7
229.08519	2.7
239.07030	6.3
245.04501	1.7
246.05310	1.6
253.08601	3.0
256.07315	2.4
257.08035	8.8
267.06509	13.3
271.09604	3.3
274.04559	2.2
275.09244	1.8
285.03851	2.8
287.10272	24.6
288.10544	1.8
289.11279	1.6
299.09079	55.3
300.09293	3.1
302.04202	11.5
317.06479	38.1
317.10303	28.6
317.14423	4.0
318.06815	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1014
Annotation	Cajanol
Peak:m/z	Relative Intensity
53.03937	1.0
55.01609	0.5
55.01858	2.3
55.05518	1.2
61.35807	0.6
65.03931	1.2
67.05505	1.3
67.47020	0.7
68.99780	1.4
69.03422	18.9
69.07056	0.9
69.97579	2.4
71.07047	0.6
77.03916	1.0
79.05483	1.7
81.03403	1.8
81.07043	3.7
83.04972	1.3
85.02895	2.3
91.05471	4.2
93.07024	1.3
95.04941	2.7
97.02899	0.6
97.38507	0.6
103.43272	0.6
105.03406	0.8
105.06990	0.8
107.04919	1.8
109.02861	0.6
109.06493	2.0
111.04422	1.5
115.76763	0.6
119.04919	8.3
121.06490	1.2
123.04415	57.4
124.04742	1.0
124.07602	0.6
125.02332	1.2
125.05994	0.9
133.06413	0.7
135.04388	2.3
137.02386	0.9
137.05981	8.2
137.13223	1.2
139.03891	5.0
141.05431	4.2
141.07086	0.8
143.04926	2.0
145.05017	0.7
147.04399	23.2
149.05952	3.1
151.03874	2.7
151.07539	0.9
153.01802	2.6
153.05467	5.9
155.06972	0.6
156.28983	0.6
157.06467	1.1
161.05949	7.2
161.09558	0.8
163.03903	6.4
165.01805	3.9
165.05458	100.0
166.05803	2.2
167.03380	0.6
169.06503	1.3
170.99490	0.6
171.04411	1.9
171.07968	1.0
175.07530	0.6
177.05443	3.3
179.07123	3.3
179.08498	0.7
179.78156	0.6
183.02907	2.6
189.05431	1.9
189.09082	1.3
191.03355	0.6
193.04915	2.0
194.40457	0.6
195.02832	0.8
195.06483	2.0
199.07553	0.6
207.06451	5.7
211.07463	0.9
225.05766	0.7
229.08549	0.7
238.65508	0.7
239.06999	1.2
257.08069	2.6
267.06458	1.8
271.10028	0.9
273.07578	0.6
287.09805	1.4
299.09039	9.7
309.22961	0.7
317.06497	3.6
317.10254	21.3
318.10455	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1227
Annotation	Taxicatin
Peak:m/z	Relative Intensity
50.32566	1.2
53.03931	2.7
55.01868	1.7
55.05494	1.2
57.03417	3.8
61.02924	5.8
65.03928	4.8
67.05494	3.3
69.03408	4.2
69.07050	1.2
69.83482	7.4
70.06584	2.7
75.04469	1.8
79.05087	1.4
79.05482	8.4
81.03403	3.9
81.07032	5.5
85.02895	4.0
85.06555	1.3
91.05479	12.2
93.07011	1.8
95.04958	17.7
95.61903	1.3
97.02873	2.0
97.06501	2.2
105.03279	1.4
105.04549	1.2
105.07023	3.0
107.04943	8.1
107.08587	3.0
109.02862	2.0
109.06487	12.2
109.10139	1.7
110.03645	2.0
111.04407	4.5
119.04930	3.6
119.08559	2.3
121.06501	4.3
123.04412	26.1
125.02345	6.9
125.05968	1.8
127.03901	1.3
130.06490	3.5
132.04469	2.0
133.02832	11.0
133.06425	1.2
135.04395	3.8
135.08315	1.4
137.05960	23.5
139.03889	2.6
140.04662	83.6
141.04974	1.3
143.08553	2.0
145.06468	1.9
145.10083	2.0
146.03513	1.4
147.04401	8.0
149.06036	2.1
151.03947	1.5
151.07524	2.2
152.04672	2.2
153.01810	1.9
153.05464	4.4
155.07007	100.0
158.05991	2.0
161.00542	1.2
161.05978	2.5
161.09586	3.7
163.03836	2.9
163.07442	1.2
165.05444	25.0
165.06859	1.3
167.07072	2.3
169.06464	1.3
171.06541	2.4
173.08089	8.0
179.03456	1.5
179.07025	8.7
180.04144	9.0
181.04929	54.5
181.06523	2.8
182.05287	1.4
183.06573	2.3
193.04942	25.1
195.06528	7.6
197.08047	8.4
207.06519	24.5
210.05179	1.3
213.07483	2.2
225.05470	2.4
225.07556	22.3
237.06490	2.2
243.08615	23.9
271.13245	1.6
272.96521	1.1
287.10138	4.5
299.05615	1.2
299.09964	3.1
300.09653	4.8
317.06531	4.7
317.12006	8.0
336.89581	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1227
Annotation	Taxicatin
Peak:m/z	Relative Intensity
53.03932	4.5
55.01868	5.6
57.03425	5.9
61.02905	5.6
67.05490	3.2
69.03436	12.2
70.10864	4.0
70.11277	10.3
73.02900	3.0
74.59715	2.5
79.05486	8.9
79.56479	2.5
81.03410	17.0
81.07040	6.4
83.04481	2.2
83.04947	2.9
84.56359	2.5
85.02901	51.9
91.05463	33.5
93.07027	5.8
95.04955	4.5
95.08612	4.8
97.02882	24.7
98.97565	4.4
99.04459	3.2
101.36677	2.4
103.03911	8.8
103.05456	13.8
104.06240	5.1
105.07036	26.5
107.04941	23.7
107.08584	6.5
109.02853	5.8
109.06487	4.3
109.10131	4.3
111.04393	5.0
114.19734	2.3
115.05444	13.5
116.98655	2.8
117.07027	3.6
119.04945	13.2
119.08564	3.8
119.93478	2.3
121.02853	2.1
121.06477	17.7
123.04419	9.7
127.03882	9.7
128.06189	5.9
129.06981	19.1
131.04903	17.8
131.08534	3.6
132.05707	5.4
133.06464	21.7
133.10155	2.8
135.04402	4.6
135.08054	3.6
137.05971	100.0
139.03934	3.3
141.07005	3.2
143.04883	8.9
143.08571	3.3
145.04942	3.0
145.06436	6.4
147.04364	17.9
147.08032	3.7
149.05965	42.0
151.07538	45.9
153.06932	4.9
155.03357	6.8
155.07077	4.9
155.11784	24.8
156.10228	3.2
157.06458	16.8
159.04367	3.4
159.08012	2.8
161.05965	36.1
161.09589	7.2
163.03854	4.7
163.07549	13.6
164.08321	62.4
165.05495	25.0
167.07053	9.7
169.06525	3.2
171.08025	7.7
173.06024	11.3
174.06721	5.9
175.07533	19.6
177.05487	8.1
179.07034	52.4
181.06454	4.0
181.06937	3.9
181.08601	31.1
185.05977	9.2
187.07578	5.7
189.05460	6.6
189.09134	5.5
191.07053	10.2
193.08580	2.7
195.06503	3.6
197.05937	2.4
199.07539	9.1
203.07027	51.3
205.08557	13.2
207.04669	4.7
215.07182	3.0
217.08591	9.9
221.08080	17.3
227.06975	9.4
231.06396	2.5
233.08049	14.2
237.02744	3.1
245.08105	24.1
263.09045	23.5
287.10272	3.1
317.06409	7.4
317.14929	3.0
317.21033	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	317.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99521	2.8
53.03925	3.8
54.26813	3.1
55.05493	11.4
57.07052	4.2
67.05502	17.6
69.07061	58.4
71.07664	6.8
78.04697	2.8
79.05492	14.9
81.06588	5.6
81.07046	100.0
83.08611	4.1
91.05463	10.2
93.07031	10.0
95.04951	7.1
95.08569	13.1
103.05485	3.4
105.07006	10.5
107.04931	2.8
107.08566	9.5
109.10139	36.4
111.11713	26.5
115.62785	3.1
119.08517	5.7
121.06501	41.8
121.10136	13.3
123.08037	3.5
123.11715	14.3
128.06190	3.8
129.06992	6.8
133.10098	2.9
135.08031	9.7
135.11644	5.2
137.05870	4.8
143.08580	5.5
145.06421	3.7
146.07091	3.1
149.05963	98.0
150.06671	4.7
151.07512	12.6
153.01816	3.4
155.08496	3.9
156.19125	2.8
157.10025	5.1
158.07245	4.2
159.08014	9.3
160.08841	3.2
161.05977	13.4
161.09608	5.6
163.07533	11.8
164.41362	2.9
167.07034	7.8
169.10165	4.2
171.07864	3.9
172.08835	14.9
173.05853	3.7
173.09584	6.6
175.07550	30.7
177.05444	75.4
177.09021	9.5
185.09641	4.2
187.07521	13.6
187.11234	6.3
188.08284	3.9
189.09120	24.1
191.06950	19.2
191.10658	17.5
195.06529	47.9
196.12498	3.4
200.08365	6.7
201.09113	22.5
203.10704	14.0
205.08513	5.2
207.06509	4.5
209.07957	3.8
211.11073	3.7
211.14801	7.7
214.09840	4.3
215.10641	57.0
216.10951	3.2
219.06496	22.7
221.08032	11.7
223.09557	4.8
229.08603	8.4
229.12212	8.9
233.08055	23.5
235.09612	8.5
243.10130	31.0
243.17339	5.3
247.09612	19.8
249.11110	8.3
258.64972	3.0
261.11200	21.4
271.13748	4.1
271.16879	84.0
272.17374	5.9
299.16379	25.2
299.19580	4.7
300.16638	4.7
317.06567	14.2
317.17377	34.9
317.20941	5.3
318.18024	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	317.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12057	1.5
53.03944	2.4
55.05496	7.3
57.07064	3.9
65.03943	1.7
67.05501	8.0
69.07065	23.8
70.06575	6.6
71.52740	2.4
71.53114	1.8
79.05492	12.0
81.03405	4.9
81.07045	12.1
83.08602	4.0
88.07622	4.9
91.05485	14.0
93.07021	10.9
95.04955	6.0
95.08620	8.1
97.10101	1.7
102.09241	1.6
105.07017	10.5
106.08643	3.0
107.04930	3.9
107.08562	7.6
109.06488	2.5
109.10151	17.9
111.11687	5.1
115.05451	2.1
119.04951	2.4
119.08585	4.3
121.05648	3.3
121.06496	42.3
121.10107	7.0
123.08044	3.3
123.11710	7.7
128.06216	2.7
129.07039	3.2
131.08531	5.0
133.10077	4.3
135.04434	11.6
135.08046	5.9
135.11694	2.7
137.05966	3.9
141.06953	3.1
143.08537	3.5
145.06468	4.7
145.10097	2.5
147.08026	3.1
149.05977	100.0
149.09596	2.2
151.07532	11.6
151.19133	1.9
153.01819	3.7
153.05479	1.8
155.84428	1.7
157.06467	2.1
157.10040	1.9
158.07353	1.8
159.08037	10.5
159.11588	1.9
161.05952	15.5
161.09607	12.3
163.03903	9.9
163.07501	5.5
165.05473	3.7
167.07016	10.7
167.08208	1.9
169.10123	2.7
171.08041	3.2
172.08792	5.6
173.05959	2.9
173.09639	7.1
174.06816	2.4
175.07516	8.4
175.11073	2.0
177.05464	83.5
177.09026	6.1
178.05817	2.0
179.07011	4.2
185.09540	2.8
187.07535	45.0
187.11143	5.0
188.08221	2.3
189.09038	14.5
191.07065	8.9
191.10638	4.5
193.08609	2.3
195.06516	49.4
195.08237	3.8
200.08360	1.5
201.09077	15.2
202.09901	2.1
203.10657	4.5
207.06555	6.0
213.08900	1.7
215.07164	1.8
215.10625	13.2
219.06534	17.2
222.50430	1.7
225.12613	2.5
228.11433	6.7
229.12213	7.3
231.10063	1.8
233.08070	63.0
243.10178	5.8
243.17381	1.7
247.09602	10.7
253.12123	4.5
257.15533	2.2
261.11130	6.7
271.16895	75.4
272.17249	2.2
299.12793	6.3
299.16397	16.4
299.31247	3.0
302.04025	3.9
316.32117	1.7
317.06534	16.8
317.13824	5.2
317.17380	33.1
317.21133	5.2
317.24582	2.3
317.32425	50.5
318.29855	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1744
Annotation	NAGILACTONE F
Peak:m/z	Relative Intensity
51.43225	4.4
53.06844	3.7
55.05489	10.8
67.05483	12.8
69.07059	47.6
71.01759	6.9
72.50164	3.7
76.07670	4.1
79.05474	10.3
81.06588	6.2
81.07047	100.0
83.08584	4.1
91.05449	7.5
93.07024	7.8
95.08597	8.0
97.10163	5.6
105.07019	8.3
107.08588	4.5
109.10146	26.2
111.11715	32.6
119.08557	5.6
121.06467	31.9
121.10159	6.2
123.11670	10.6
135.08040	5.3
135.11676	5.6
149.05975	80.5
151.07515	9.5
158.07213	5.1
159.08029	10.7
161.05983	13.5
161.09615	7.0
163.07532	10.3
169.10141	4.5
172.08795	11.4
173.09627	6.2
175.07521	34.8
177.05458	66.4
177.09052	5.6
187.07520	11.4
187.11113	10.4
189.09055	16.4
191.07024	8.4
191.10648	12.0
195.06490	47.0
201.09117	21.3
203.10635	12.2
207.06419	4.9
211.14755	5.6
215.10632	63.2
217.08501	6.5
219.06514	22.5
221.08092	14.3
229.08586	8.7
229.12241	8.6
231.09880	4.7
233.08119	19.3
242.13316	4.7
243.10147	35.1
243.17224	5.4
247.09564	19.4
261.11169	18.0
267.13181	4.5
271.16898	87.6
272.17041	6.7
299.16376	30.4
317.06613	3.9
317.17392	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1745
Annotation	NAGILACTONE F
Peak:m/z	Relative Intensity
52.77357	2.4
55.05502	15.2
55.87127	2.4
67.05483	11.5
67.33266	2.3
68.03926	3.0
69.07063	62.1
71.19411	6.5
79.05497	14.5
81.07050	96.6
86.85324	2.7
91.05469	13.0
93.07050	7.1
95.04973	3.4
95.08579	11.6
105.07019	8.3
107.08599	7.1
109.10145	31.6
111.11697	23.2
119.08598	4.3
121.06508	33.6
121.10080	7.0
123.11670	13.6
129.06943	3.5
133.10115	6.5
135.08029	10.7
135.11678	5.8
143.08505	5.0
149.05965	100.0
151.07527	10.5
155.08548	5.1
157.10150	3.3
159.08061	6.0
159.11678	4.8
161.05962	8.6
163.07527	16.8
165.09149	3.8
167.06972	4.6
171.08057	6.9
172.08798	12.9
173.09625	9.1
175.07533	35.5
177.05455	74.8
177.09082	9.9
187.07582	14.6
187.11159	8.7
189.09100	20.3
191.07010	16.1
191.10660	14.8
195.06491	50.0
200.08250	5.0
201.09077	19.8
203.10670	12.7
207.06412	4.7
209.08052	6.2
211.14835	5.4
215.10661	56.5
219.06517	25.4
221.08136	13.8
228.11417	3.1
229.08501	6.9
229.12212	9.0
233.08110	20.6
234.08418	3.1
243.10129	25.6
247.09685	14.7
249.11354	4.4
253.15854	3.3
256.14618	5.3
261.11151	22.8
271.16904	82.2
272.17307	3.2
299.16464	24.1
317.17456	40.7
317.20993	5.0
317.24808	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.3
55.05494	4.6
56.68354	1.5
56.96555	1.2
57.07067	2.0
67.05505	8.1
69.06725	1.5
69.07064	16.5
71.52744	2.5
79.05489	9.6
81.03406	4.6
81.07047	23.6
83.08625	3.3
91.05479	12.1
93.07059	7.5
95.04945	5.1
95.08598	8.0
105.07014	8.5
107.04911	1.7
107.08590	7.2
107.67977	1.2
109.10140	15.6
109.96988	1.2
111.11704	5.6
115.05383	1.7
117.06976	3.0
119.08564	4.7
121.06494	40.7
121.10135	7.9
123.08068	2.4
123.11696	9.3
128.06183	2.1
129.06981	3.2
131.08557	3.3
133.10123	4.8
135.08031	3.4
135.11670	3.8
137.05983	1.9
140.15843	1.2
143.08595	2.0
145.06403	2.5
145.10063	1.7
147.04422	1.7
147.08063	1.5
147.11653	2.0
149.05968	100.0
150.06293	1.5
151.07506	8.1
153.01823	2.7
155.08582	2.8
158.07246	1.9
159.07979	6.4
159.11702	2.3
161.05963	8.8
161.09560	6.4
163.07507	8.1
165.05496	1.4
167.07025	10.2
169.09999	1.7
171.07979	1.9
172.08804	4.7
173.09584	4.1
175.07469	11.7
177.05460	75.0
177.09030	2.7
182.10915	1.9
185.09589	2.2
187.07535	12.2
187.11182	3.7
188.08153	1.3
189.09087	10.7
191.06956	7.8
191.10623	4.2
195.06522	33.5
201.09097	12.3
203.07016	2.3
203.10661	6.1
205.08485	2.5
207.06500	2.2
209.08005	1.8
215.07207	1.5
215.10678	17.2
219.06522	9.4
221.08115	4.3
228.11421	1.7
229.08624	3.6
229.12222	3.5
233.08081	17.0
235.09538	3.9
239.14328	1.9
243.10182	8.6
247.09587	7.3
253.12329	2.2
257.11823	2.5
261.11224	5.6
271.13690	2.7
271.16910	47.6
272.17270	1.5
281.11707	2.1
299.12939	2.0
299.16400	10.2
302.04224	2.9
312.68756	1.3
317.06573	13.3
317.13712	4.3
317.17422	21.6
317.21014	2.2
317.24329	2.5
317.32379	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1743
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
53.03927	1.4
55.05492	3.7
55.05729	0.8
57.07070	0.9
67.05497	5.3
69.07061	7.8
70.87239	2.2
79.05470	3.3
81.03421	1.5
81.07050	10.2
83.08595	2.0
91.05474	7.0
93.07043	4.2
95.04966	2.1
95.08597	4.8
104.30634	0.9
105.07034	4.8
105.07638	0.9
107.08565	3.6
109.10143	9.8
111.11684	2.3
119.04911	1.0
119.08550	2.1
121.06489	41.0
121.10139	6.2
123.08065	1.4
123.11699	7.8
131.08559	1.4
133.10094	2.4
135.08009	3.2
135.11656	2.1
137.05936	1.0
141.06931	1.0
143.08521	1.2
145.10147	1.4
147.08049	1.2
149.05963	100.0
150.06322	1.3
151.07532	4.8
155.08543	1.3
158.07280	1.7
159.08015	2.5
161.05943	4.3
161.09578	2.5
163.07568	4.4
167.07043	5.0
171.08031	1.2
172.08795	2.2
173.06003	1.7
173.09598	2.1
175.07510	4.1
177.05455	65.0
177.08781	1.7
178.05814	1.3
185.09633	0.9
187.07542	13.2
187.11206	3.0
188.08093	1.5
188.89598	0.9
189.09096	5.7
191.06998	3.9
191.10612	1.3
195.06506	34.5
197.09520	1.1
201.09067	7.6
203.10684	3.5
209.08086	1.0
211.14717	1.1
215.07040	1.6
215.10609	8.8
219.06570	5.3
221.08058	2.0
228.11388	2.4
229.08539	3.9
229.12180	2.7
233.08067	16.2
235.09709	2.1
243.10124	2.7
243.17274	1.2
246.92726	0.9
247.09688	6.0
261.11212	3.8
271.16895	34.7
272.17377	2.2
299.16309	8.8
317.06537	3.2
317.14084	2.0
317.17484	15.2
317.20898	1.0
317.24734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08759	2.0
53.03940	4.6
55.01862	8.6
55.05509	10.3
57.03420	7.6
57.07061	5.8
61.02921	3.1
65.03936	5.5
67.05498	23.4
68.99773	4.1
69.03431	24.0
69.07056	23.8
71.01337	3.8
71.04980	4.4
71.08633	2.3
71.52329	2.8
71.52699	2.3
73.02914	5.3
79.05485	29.3
80.23199	2.0
81.03396	12.9
81.07050	100.0
83.04970	8.9
83.08613	6.4
85.02899	34.1
85.06537	10.9
87.04460	2.7
87.86984	2.0
89.35715	2.3
91.05474	23.9
93.03381	3.0
93.07034	45.4
95.04955	17.7
95.08600	47.2
97.02904	11.3
97.06512	6.4
99.04446	5.6
99.08082	17.7
103.03910	6.5
103.05457	45.7
105.07024	43.4
107.04948	12.4
107.08588	41.9
107.96483	2.2
109.02871	11.5
109.06510	19.2
109.10133	21.4
111.04435	7.5
111.08055	12.4
111.11706	7.9
115.03918	4.9
115.05451	6.6
117.07047	10.5
119.04936	6.3
119.08578	25.5
121.06477	12.9
121.10143	22.6
122.03610	2.1
123.04411	30.6
123.08070	9.2
123.11707	11.6
125.09577	4.9
127.03913	7.5
127.07552	2.6
128.06291	3.0
129.05424	5.0
129.07013	4.2
130.06520	2.4
130.07771	2.2
131.04916	27.9
131.08562	11.4
133.06496	11.7
133.10098	14.8
135.04407	5.2
135.08061	11.5
135.11661	15.1
136.91919	2.2
137.02344	2.8
137.05963	28.3
137.09605	6.6
137.13229	30.8
139.03883	2.7
139.07533	3.8
139.11197	4.1
141.05440	5.1
141.06966	4.0
141.09111	3.7
142.07692	2.5
143.08519	10.0
145.04932	5.1
145.06474	4.7
145.10100	15.2
146.05983	5.7
147.03421	2.1
147.04390	14.9
147.08018	7.3
147.11676	19.2
148.05133	8.3
149.05951	9.5
149.09595	5.5
149.13246	8.8
151.03893	7.3
151.07549	6.9
151.11179	3.6
153.01845	14.3
153.05472	6.7
153.06975	3.7
153.09016	3.1
153.12762	7.2
155.08543	4.0
155.14322	8.9
157.06529	2.6
157.10094	6.5
158.06046	3.2
158.07248	2.5
159.08014	4.2
159.11700	10.5
161.05949	18.2
161.09618	9.3
161.13231	8.3
163.03883	13.8
163.07570	16.0
163.11125	5.4
165.05487	41.6
165.06895	4.9
165.09125	7.3
165.12769	17.3
166.05809	2.8
167.07030	8.5
167.08504	4.1
167.14293	3.9
169.06464	2.4
169.10071	3.5
171.08107	3.6
171.11662	5.1
173.09575	5.3
173.13252	8.0
175.07523	2.8
175.11032	3.2
175.14719	3.3
177.05469	7.2
177.09142	4.7
177.12729	7.6
178.06236	13.4
179.07051	4.1
179.08553	3.0
179.14317	3.3
181.06450	2.9
181.08569	2.9
182.07248	3.9
183.08018	3.3
183.10077	2.3
183.11572	3.9
185.09586	2.7
185.13316	3.4
187.07564	2.4
187.14807	3.0
189.09082	3.6
189.12769	4.9
191.10593	2.4
191.14247	4.2
193.05029	2.6
193.06856	3.4
193.08595	11.9
195.08104	4.5
195.10149	2.6
197.05984	4.4
197.09584	3.1
197.13223	2.8
197.15329	3.3
199.07500	3.2
199.14836	2.4
203.07069	2.4
203.10661	2.8
203.14240	5.1
207.06531	4.3
207.13730	2.3
210.06769	4.0
211.07489	5.8
213.11063	2.6
215.14323	2.1
217.04942	3.4
217.15826	2.7
219.13718	4.9
221.05949	2.9
221.15401	4.1
225.09081	7.4
225.12720	2.7
227.07010	3.2
227.14305	3.3
229.05014	5.0
233.15427	3.3
238.05931	2.3
239.06931	4.0
241.08496	5.0
243.13853	3.4
245.15372	5.8
246.05429	2.8
253.08470	5.3
257.08185	5.5
257.11765	4.6
263.16397	8.6
267.06500	5.1
271.09683	2.8
271.13272	6.2
273.03928	2.5
274.04758	2.8
281.17477	7.9
282.18063	2.1
285.03867	4.2
285.11084	6.5
287.08908	2.3
299.09100	16.5
299.12579	4.7
299.18683	3.8
302.04156	13.0
302.11453	3.1
317.06522	62.0
317.10208	16.5
317.13818	42.6
317.20825	14.5
317.24750	6.3
318.06979	2.5
318.10745	4.5
318.14288	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	317.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.0
55.01859	7.9
55.05500	13.3
57.03418	8.8
57.07051	6.3
61.02902	4.9
65.03934	4.6
65.45228	1.8
67.05495	26.0
68.99757	2.6
69.03417	23.9
69.06735	2.7
69.07069	28.3
71.04980	6.3
71.08598	2.7
71.52968	2.8
73.02897	6.9
79.05485	31.1
81.03415	13.4
81.07044	100.0
83.01311	2.0
83.04964	6.4
83.08611	4.5
85.02894	38.4
85.06548	11.2
91.05470	27.4
93.03389	2.6
93.06470	3.8
93.07031	47.9
95.04973	20.7
95.08043	2.0
95.08595	45.2
97.02888	12.5
97.03372	2.1
97.06512	10.2
97.10136	2.7
99.04428	6.6
99.08089	27.3
99.44567	2.4
101.06033	3.0
103.03943	4.8
103.05459	49.1
105.06383	3.6
105.07026	39.6
107.04954	14.4
107.08578	43.1
109.02851	8.3
109.06497	14.4
109.10139	23.2
111.04420	9.1
111.08061	14.5
111.11700	7.4
113.06042	2.4
115.03904	3.1
115.05436	5.3
117.07009	9.2
119.04916	7.8
119.08564	26.4
121.06479	10.5
121.10115	26.8
123.04398	25.3
123.08032	7.6
123.11680	11.6
125.05994	3.7
125.09596	3.7
127.03912	7.3
128.06219	4.3
129.05499	3.7
129.06984	4.9
131.04903	27.1
131.08543	16.4
133.05019	3.0
133.06470	10.5
133.10098	19.3
135.04340	5.1
135.08029	9.6
135.11688	19.2
137.05960	32.0
137.09587	6.9
137.13231	23.3
139.07541	3.9
139.11180	6.7
141.05431	3.9
141.06987	3.1
143.04930	4.3
143.08548	9.8
145.04951	5.6
145.06410	2.9
145.10139	12.8
146.03568	2.7
146.05991	3.3
147.04430	12.7
147.08061	6.6
147.11674	18.3
148.05157	5.9
149.05957	9.8
149.09605	8.2
149.13243	6.6
151.03888	8.3
151.07504	6.7
151.11180	3.8
153.01779	6.5
153.05429	8.3
153.06917	3.0
153.09036	2.9
153.12712	6.8
155.08522	5.4
155.14287	6.4
157.10173	10.6
158.05925	2.5
159.08076	4.1
159.11716	13.0
159.55788	2.3
161.05975	15.9
161.09560	14.0
161.13228	10.7
163.03853	14.3
163.07536	16.2
163.11150	3.7
165.05463	47.7
165.06903	4.7
165.09094	6.8
165.12717	20.5
167.07036	9.4
169.06425	4.2
169.10052	3.2
171.08052	3.2
171.11646	7.5
173.09584	3.9
173.13237	6.7
175.11159	6.3
175.14815	3.3
177.05394	5.1
177.09068	4.8
177.12747	4.5
178.06268	11.3
179.03358	2.5
179.06967	3.3
179.08427	2.9
179.14314	5.4
181.06456	3.4
182.07231	3.5
183.08041	3.5
183.11668	4.9
185.06001	2.6
185.13168	4.5
187.07524	2.9
189.09077	4.2
189.12733	5.5
191.10623	2.8
191.14252	4.9
193.04921	4.7
193.06647	2.6
193.08644	12.1
195.10135	2.5
197.05972	2.8
197.09639	5.2
199.07433	4.1
199.14703	3.2
201.09035	4.6
201.12677	5.1
203.14273	5.0
207.06485	3.3
210.06606	2.4
211.07578	4.9
213.09100	2.6
214.10017	2.3
215.14375	3.3
221.05995	3.1
221.15401	3.7
225.09059	5.8
225.12695	2.7
227.14452	2.9
228.04195	3.7
229.04840	7.0
229.08562	3.6
229.12231	3.0
233.15445	3.8
235.11143	4.1
239.07037	4.2
243.06493	3.0
245.04395	3.0
245.15378	4.6
253.08487	4.3
257.04190	2.7
257.07941	2.9
257.11697	7.4
263.16434	7.9
271.09610	4.5
271.13177	4.7
274.04697	5.1
281.17471	9.1
285.03928	4.2
285.11111	5.2
296.19962	2.2
299.09128	15.5
299.12387	4.8
299.18994	2.8
302.04193	16.7
302.11508	3.4
317.06497	75.4
317.10168	18.9
317.13809	42.7
317.20694	14.7
317.24756	6.5
318.06741	8.0
318.10812	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	318.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68551	0.3
53.03932	0.6
55.01859	0.5
55.05499	0.4
56.11859	0.3
57.03419	1.3
61.02901	1.5
65.03917	0.4
67.05489	0.6
69.03066	0.5
69.03424	3.6
69.07054	1.2
69.75909	0.3
70.88029	0.8
71.04990	0.3
73.02899	0.5
77.54996	0.3
79.05497	0.3
81.03400	1.6
81.07018	0.4
82.02943	0.4
82.06567	1.0
83.05005	0.6
85.02431	0.5
85.02901	7.8
87.04456	0.7
91.03940	0.5
91.06953	0.3
93.07012	1.8
95.08594	2.0
95.86682	0.3
96.04485	3.0
96.08128	2.7
97.02883	3.1
97.05271	3.0
97.06515	1.3
99.04436	0.5
100.07587	1.1
102.70566	0.4
107.04931	0.4
109.02889	0.9
109.06509	0.9
110.06033	6.5
110.09678	3.9
111.08060	0.8
120.08099	1.2
121.06451	0.6
123.06780	0.4
125.08363	1.1
126.09138	9.5
127.03912	1.3
128.43256	0.3
138.09123	24.0
139.03897	2.4
139.07516	1.0
139.09447	0.5
145.04950	1.0
152.10735	0.4
156.10181	100.0
157.10553	2.7
168.10155	1.3
170.25183	0.4
180.10202	0.5
191.03271	0.5
198.11255	1.0
222.11385	0.4
275.17075	0.4
318.15414	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01857	2.3
57.03418	7.3
60.70299	2.0
61.02907	8.7
69.03427	19.4
71.04981	5.5
71.23682	4.7
73.02892	4.0
73.07408	2.1
81.03418	10.9
85.02895	100.0
87.04476	3.1
91.03928	5.3
93.07047	3.8
96.35288	1.9
97.02888	24.8
99.04459	4.0
103.05456	2.1
109.02883	11.5
121.06492	65.7
127.03895	20.8
137.16147	2.2
145.04938	38.0
145.06560	2.1
149.70381	2.5
156.06543	2.2
156.10194	8.0
163.06015	4.8
179.06972	2.8
180.08632	13.8
187.07545	9.0
205.08600	5.5
229.08693	2.4
247.09737	4.7
265.10825	2.4
319.13504	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0445
Annotation	Myricetin
Peak:m/z	Relative Intensity
51.13664	0.3
55.01867	1.3
55.05499	0.4
64.55968	0.3
65.03931	0.7
67.05509	0.7
68.99784	2.8
69.03413	0.9
69.07069	0.6
71.53316	0.5
74.14065	0.3
75.82318	0.3
79.01839	0.8
79.05486	1.0
81.03409	1.6
81.07044	1.4
83.04975	0.4
85.02905	0.6
85.06542	0.4
91.05466	1.2
92.02609	0.7
93.03388	1.2
93.07043	1.0
95.01311	0.8
95.04965	1.5
95.08600	1.1
97.02914	0.7
105.07008	1.6
107.01241	0.4
107.04951	0.4
107.08590	1.0
109.02882	1.4
109.10172	0.6
111.00777	0.9
111.04423	1.1
111.08012	0.4
113.02357	0.3
115.05435	0.7
117.07016	0.4
119.08562	0.5
121.02861	1.7
121.06473	0.5
121.10152	0.8
122.03199	0.3
123.00799	1.7
123.04431	1.2
124.07544	0.4
125.02341	1.0
127.03915	0.7
131.04890	0.5
133.02826	0.5
133.10155	0.6
135.08028	0.5
137.02330	19.1
137.03392	1.3
137.05945	1.7
139.00249	0.4
139.03897	0.6
141.01836	0.7
143.04919	0.6
145.10123	0.4
147.04417	2.7
147.11684	0.7
147.39243	0.3
149.02336	0.8
149.05969	0.6
150.03075	0.5
151.00253	0.5
151.03851	0.6
153.01813	9.7
153.05438	2.9
154.02112	2.8
155.02287	2.5
155.04872	0.5
159.11671	0.7
161.02277	0.4
161.05991	0.7
161.13199	0.4
163.03909	0.7
163.11139	0.3
165.01854	1.8
165.09003	0.4
166.02223	0.3
166.04962	0.5
167.38521	0.4
169.01317	8.4
171.02872	0.8
171.04404	2.8
173.13260	0.3
175.03902	1.1
177.05441	0.9
179.03310	0.9
181.01286	2.3
183.02965	0.5
185.00784	0.7
189.05516	1.7
199.03857	4.3
201.05441	0.4
203.03389	1.5
203.06273	0.3
207.02928	0.4
209.15361	0.4
217.04936	4.4
218.05412	0.4
219.05534	0.6
221.04443	0.8
227.03329	2.2
227.09491	0.3
229.04868	1.5
230.04893	1.8
231.05586	1.5
235.06044	0.5
245.04443	7.8
246.04782	0.4
247.05048	1.0
248.05736	1.1
249.03996	0.8
255.02930	2.0
257.04361	0.7
259.04990	1.4
263.05469	1.1
263.20975	0.3
271.10828	0.7
273.03922	15.7
273.15918	0.9
274.04343	0.7
275.04709	1.6
276.05319	2.2
283.02463	0.8
284.93427	0.3
286.03909	0.4
287.04443	2.7
290.04196	1.4
291.04849	0.6
301.03384	13.4
301.11035	0.4
301.21545	0.6
302.03757	0.6
303.04489	0.4
304.04727	7.8
319.04437	100.0
319.07230	19.7
319.22647	0.8
320.04605	2.5
333.32388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.117
Annotation	Kushecarpin A
Peak:m/z	Relative Intensity
65.03868	0.6
68.99761	0.9
79.05386	0.5
82.82187	0.4
83.04952	0.7
89.28468	0.4
89.40627	0.5
90.54475	0.5
91.05481	4.6
98.21522	1.4
109.02808	0.7
119.04924	6.0
121.13688	0.5
123.04393	0.8
125.02234	0.7
125.67846	0.5
131.04836	0.5
137.02260	2.2
137.05893	1.3
147.04399	13.7
148.43465	0.5
152.06155	0.6
153.01736	2.2
153.05359	1.0
155.03229	1.1
155.07030	3.3
157.61493	0.5
161.05980	0.9
165.06964	0.7
169.01245	2.5
177.05353	0.7
181.06496	0.9
195.07953	1.4
196.08841	0.6
197.05939	0.7
198.06711	0.6
199.03874	0.7
200.04608	0.8
201.05261	0.6
203.03380	0.7
209.06059	0.8
213.09190	0.6
215.03355	2.9
217.04869	0.9
223.07391	0.8
226.06131	1.0
227.06984	1.1
227.10599	1.1
228.04182	0.8
229.04903	6.6
230.05591	1.3
237.05464	0.9
241.08586	1.6
242.09229	1.7
245.04454	2.9
251.06958	0.8
254.05721	1.4
255.10101	2.8
257.04276	2.8
258.05206	24.7
269.08075	1.2
273.04260	4.7
273.07535	100.0
274.04211	0.6
274.07803	2.6
283.09790	0.7
301.03455	1.6
301.10660	24.2
301.14142	1.2
319.04459	49.0
319.11700	32.4
320.04828	3.1
320.12024	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1172
Annotation	Catechin 7,4'-dimethyl ether
Peak:m/z	Relative Intensity
52.06778	0.3
53.03930	0.7
53.84349	0.3
55.01861	0.5
55.05496	0.4
65.03928	0.3
65.90997	0.3
67.05498	4.2
67.84893	0.3
68.99780	4.1
69.07067	0.4
71.53333	0.4
79.05470	1.5
81.03386	0.7
81.07036	1.2
91.05481	2.1
93.07043	0.5
94.04144	1.5
95.01352	0.3
95.03987	0.3
95.04965	6.8
95.08624	0.4
96.45611	0.3
97.02891	0.3
97.06509	0.6
98.94112	0.3
105.07026	0.4
107.04933	1.1
107.08582	0.4
109.06489	1.2
110.03633	0.4
111.04410	0.8
111.08070	0.4
119.04923	4.7
121.02875	0.4
121.06483	0.4
122.02958	0.3
122.03658	2.9
123.00777	0.4
123.04431	4.0
123.07983	0.3
125.05981	1.2
127.03921	0.4
135.04407	0.7
137.02350	2.4
137.05960	37.0
138.06332	0.6
139.03885	1.9
141.05457	5.2
147.04396	29.7
149.06018	0.6
153.05449	100.0
154.05838	1.4
161.05969	0.7
165.01826	0.5
165.05403	0.4
167.07010	0.8
169.01340	1.4
171.04376	0.7
177.05452	0.7
179.07010	6.6
181.01355	0.5
183.06618	0.3
185.00851	0.3
195.06560	1.2
199.03908	0.7
217.04945	0.7
227.03383	0.7
245.04399	1.5
273.03870	2.4
301.03278	1.5
301.11136	0.9
319.04465	24.4
319.12250	1.3
320.04816	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1174
Annotation	Catechin 7,4'-dimethyl ether
Peak:m/z	Relative Intensity
51.02369	0.3
53.03942	0.5
55.01873	0.6
55.05521	0.6
57.07072	0.6
58.60877	0.2
65.03932	1.0
67.05499	5.0
68.99783	3.4
69.03424	0.4
69.07061	0.8
69.46866	1.4
69.47281	0.7
70.57922	0.2
76.08366	0.3
78.37694	0.3
79.05469	2.0
81.03416	0.5
81.07059	2.2
83.04977	0.5
85.06549	0.8
91.05473	2.4
93.07035	1.5
94.04186	1.8
95.04954	7.7
95.08597	1.1
97.02876	0.4
97.06525	0.8
102.94860	0.3
104.17992	0.3
105.07047	1.3
106.66986	0.3
107.04936	0.6
107.08580	1.0
109.02887	0.5
109.06509	1.3
109.10151	0.6
111.04449	0.6
111.08078	0.5
113.05979	0.4
119.04941	5.4
119.08577	0.7
121.06479	0.7
121.10133	0.8
122.03650	2.7
123.04427	3.9
123.11698	0.4
125.05981	1.1
131.08575	0.4
133.10120	0.4
135.04395	0.7
135.08038	0.7
135.11729	0.3
137.05966	40.1
138.06317	0.5
139.03915	2.1
141.05452	5.8
145.10095	0.5
147.04399	28.2
148.04739	0.5
149.05946	0.9
151.03911	0.6
153.05453	100.0
154.05792	1.4
157.10097	0.4
159.11720	0.3
161.06021	0.5
161.13239	0.4
161.65265	0.3
163.11165	0.5
165.05414	0.5
167.07098	1.3
173.13332	0.3
177.05446	0.9
179.07030	6.2
181.06628	0.3
183.06519	0.5
191.10704	0.5
195.06563	1.1
203.14429	0.3
221.15366	0.3
233.11745	0.4
241.45297	0.3
254.41113	0.3
291.22873	0.3
301.10651	0.5
301.21631	0.4
319.08371	0.3
319.11743	1.7
319.22699	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.19
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09116	2.4
57.07068	5.1
57.24586	2.7
62.05593	2.5
62.18458	2.7
69.07056	15.6
71.26488	5.2
91.05476	9.2
93.07018	6.6
95.08592	5.6
105.06995	4.8
109.10185	5.2
111.11708	10.2
115.05404	3.7
121.06487	43.3
123.08027	5.9
123.11694	7.2
124.12058	4.4
135.08038	6.3
143.08516	4.0
147.08032	10.9
149.05968	100.0
150.06334	3.7
151.07542	30.4
161.05946	6.1
161.09563	3.9
163.07533	8.1
167.07042	6.0
174.06660	3.9
175.07526	47.2
177.05464	67.5
177.09079	9.4
188.08295	4.8
189.09087	49.3
191.07036	18.1
195.06555	29.3
198.06474	3.5
203.07002	25.3
203.10646	28.3
217.08572	10.0
217.12245	9.2
221.08070	34.4
231.10103	5.3
235.09619	43.3
236.09923	3.4
249.11101	16.7
273.15497	4.8
273.18433	63.7
301.17953	4.3
306.21912	3.0
319.18918	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	319.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	5.3
67.05485	4.1
69.07065	11.9
70.97380	6.1
81.07042	6.8
91.05482	9.4
93.07039	4.9
93.38049	2.1
95.04942	3.4
95.08593	6.1
95.38269	2.4
95.80096	2.2
105.07010	4.3
107.08566	4.3
109.10162	10.0
110.10502	2.4
111.11687	16.5
117.07001	4.2
119.07392	2.1
121.05665	4.1
121.06495	47.7
121.10148	3.1
121.45575	2.4
123.08038	5.0
123.11702	9.4
124.12016	4.0
125.40677	2.4
128.06192	3.0
129.07013	7.0
131.08504	3.2
135.08005	6.0
135.11710	2.3
136.17151	2.3
143.08549	6.4
145.06459	3.5
145.08197	2.3
146.07228	2.6
147.08018	18.0
149.05960	100.0
150.06287	4.1
151.07556	31.0
156.77263	2.3
157.06548	2.6
159.08011	3.0
161.05937	5.1
161.09613	9.8
163.07558	10.9
165.09212	3.4
167.07062	5.2
174.06735	3.2
175.07520	66.4
175.11179	4.3
177.05450	77.8
177.09085	8.1
187.07520	2.5
188.08324	4.8
189.09097	80.1
191.07007	17.5
191.10640	5.1
195.06535	34.2
202.09857	3.6
203.07010	28.5
203.10634	31.2
209.08163	4.7
217.08620	14.9
217.12207	9.6
221.08095	46.2
231.10036	11.5
231.13959	2.4
234.08430	3.6
235.09631	51.3
249.11168	23.3
255.17401	2.9
273.18460	83.2
286.25058	2.6
301.17944	7.7
319.18982	20.2
319.30258	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	321.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	22.2
61.02902	3.7
63.17245	4.4
67.67826	3.9
69.03415	6.7
69.18709	3.6
71.43555	8.7
77.00871	4.2
84.96066	5.0
86.97980	3.6
97.02910	5.2
98.97569	27.5
101.00876	24.5
112.89561	5.6
116.98607	16.7
119.01910	100.0
119.02721	8.6
128.98640	5.2
131.01888	15.7
134.99655	8.1
137.02943	16.8
141.02299	3.8
141.06514	4.7
143.00110	6.2
143.01859	24.8
145.03465	37.0
146.99559	5.6
150.02736	5.6
150.91884	5.5
155.01892	6.2
157.03471	13.6
159.03239	6.5
161.01112	8.4
161.02934	52.7
162.03116	5.5
162.99103	4.9
163.04480	9.0
168.03757	7.1
169.32684	3.7
171.01381	11.6
173.01537	3.9
173.02892	19.4
175.04482	7.2
177.00781	9.5
184.21703	4.4
185.01299	6.0
185.02925	5.2
189.00845	6.8
189.02443	63.7
189.04144	5.7
191.04086	10.1
201.00836	9.4
201.02454	28.7
203.04007	12.5
205.00389	4.3
207.02043	5.0
213.02338	5.1
213.32759	4.9
219.01730	20.8
219.03549	14.3
221.05017	32.1
223.06609	8.4
233.03105	4.1
233.05064	26.8
237.02757	22.4
238.03050	6.4
239.06195	4.5
240.05803	16.8
240.55769	5.4
241.05847	5.6
249.06206	8.6
255.03830	6.8
261.04672	25.0
263.06116	17.5
275.01221	4.1
279.05597	18.2
296.99094	5.6
298.05307	6.2
298.97760	7.0
303.05579	14.4
315.00259	4.0
321.06519	30.8
339.07486	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	321.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	7.7
57.03425	1.2
58.99838	2.1
61.02903	2.0
69.03423	2.9
70.47450	3.4
73.01408	1.7
77.00883	1.2
81.98938	1.1
82.99847	2.0
85.02888	4.6
91.02483	2.7
97.01354	1.8
97.02895	3.4
98.97576	11.9
101.00869	31.5
103.02425	1.5
105.00441	1.2
110.97543	2.1
113.00864	6.7
115.02415	16.0
116.98565	6.6
117.03973	4.1
119.01910	100.0
120.02029	2.8
121.01653	1.8
121.03430	1.2
127.02357	1.3
127.03851	1.3
128.98549	2.4
129.03922	3.3
131.00237	1.5
131.01894	22.5
133.01750	1.5
133.03455	34.8
134.99660	2.1
135.03151	1.7
135.04982	3.0
137.02939	19.5
142.03505	1.8
143.01868	11.5
144.99809	3.0
145.03423	9.2
146.99617	2.5
147.01379	1.6
147.03223	1.5
147.05115	5.5
149.02948	5.0
151.04520	6.7
155.01836	9.7
156.02617	2.0
157.03426	5.2
158.99648	1.5
159.01376	2.0
159.03221	1.5
159.05008	9.3
161.02936	25.3
163.04521	3.2
168.99812	11.4
171.01389	5.3
171.05019	10.6
173.02940	18.8
173.06581	1.4
175.04472	3.2
177.00751	2.4
177.02473	3.3
177.04436	2.4
177.06075	5.6
183.04886	1.7
185.02890	1.8
187.00865	33.7
187.04385	1.4
188.01099	2.0
189.00764	1.6
189.02446	14.6
189.04218	1.7
189.06055	9.3
191.02374	2.1
191.03970	13.7
192.04257	1.3
195.05362	2.0
196.99341	7.5
198.20227	1.1
199.00806	1.9
201.00760	1.5
201.02426	4.8
201.04260	1.8
201.06050	6.0
203.03963	4.8
205.01941	10.3
210.02406	1.3
213.06009	1.9
215.00356	39.6
216.00360	1.3
217.02010	2.4
219.01653	3.9
219.03493	6.9
219.07062	3.7
221.05040	15.4
229.01875	17.9
230.01947	1.5
231.03500	2.6
231.07153	2.8
233.01355	3.9
233.05031	16.7
237.02753	7.0
245.04985	3.4
247.02975	66.9
248.03110	3.3
249.04581	2.4
251.06088	1.7
259.06360	1.3
261.04416	1.4
261.08270	15.8
262.08392	1.2
265.04007	14.5
270.04572	3.3
279.05908	1.7
279.09265	24.5
289.03900	9.4
307.05008	1.6
321.06589	7.2
321.10291	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	321.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.1
56.96288	3.3
56.96550	30.2
57.03431	1.9
61.02906	3.1
67.01850	7.3
69.03411	7.7
69.07053	6.4
69.65470	12.5
70.06579	8.0
70.79375	1.8
70.95863	2.2
71.04958	2.2
71.06934	2.0
72.93761	3.1
73.02897	2.2
79.23277	1.6
81.03396	4.2
81.07054	2.8
83.04979	2.2
84.04488	2.4
84.96021	12.2
85.02917	11.8
85.06521	1.7
85.61298	1.7
90.94823	2.5
91.05459	3.9
97.02884	5.3
97.96795	2.2
98.97572	90.1
99.04449	2.7
107.04951	2.3
109.02883	2.5
110.97542	14.0
112.07639	2.4
112.99113	2.6
116.98605	64.3
119.01904	2.7
119.04901	2.1
123.04444	2.7
127.03912	4.0
128.98590	26.4
131.00130	5.4
132.95782	2.8
134.99628	33.7
140.98570	3.5
141.05415	2.7
142.86568	2.2
143.00156	6.5
144.95792	2.3
144.98053	2.7
146.99626	22.9
147.04385	6.0
149.01202	3.5
151.07414	2.1
152.00104	2.1
152.98596	8.2
153.00713	2.9
158.01260	2.2
158.97366	5.0
158.99649	16.7
160.07600	3.2
161.01201	17.3
162.99115	5.0
165.00690	5.1
168.95869	2.4
170.99622	15.5
173.01222	3.3
176.98401	2.8
177.00681	24.7
177.02042	3.1
179.07054	3.1
186.07620	2.4
189.00691	11.4
189.02179	1.8
191.02214	2.3
195.01735	3.7
200.02393	2.2
201.00638	3.3
209.08078	2.1
210.06436	2.5
216.97989	2.6
219.01587	18.5
219.06755	2.0
234.98953	24.1
237.02789	51.7
247.09746	3.3
253.00009	3.3
255.03748	4.1
261.06424	10.4
275.09348	2.0
279.04559	3.4
279.07474	100.0
297.08545	24.2
302.09067	7.4
303.09103	2.2
321.08682	71.5
322.08905	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	321.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22488	1.5
56.96563	12.1
57.03424	1.5
61.02912	3.6
67.01855	2.6
67.05511	2.2
69.67216	7.3
69.67635	3.8
71.04980	1.8
77.00883	1.8
84.08100	2.0
84.96033	1.8
85.02874	6.7
90.64384	1.7
91.05479	2.4
97.02873	2.3
98.20811	2.4
98.97572	7.9
100.62815	1.6
101.00887	13.2
103.02456	2.2
104.51643	1.7
113.00846	3.3
115.02410	7.8
116.98600	3.7
117.04018	1.9
119.01906	50.4
120.02006	2.2
121.01630	3.6
127.03903	3.9
129.03954	1.8
131.01912	18.5
133.03464	23.0
134.99655	3.0
137.02937	17.0
143.00151	3.1
143.01898	5.1
145.03430	10.1
146.99608	2.5
147.04997	2.7
149.02927	5.2
151.04485	6.6
155.01891	8.6
157.03459	5.3
158.99664	3.0
159.05013	6.6
160.04237	3.1
161.02980	14.9
162.03282	2.2
163.04527	2.8
165.00693	2.2
168.99794	8.5
171.01393	2.9
171.05025	7.3
173.02953	17.3
173.06564	2.1
175.04498	5.4
177.00702	3.8
177.02296	1.8
177.06046	5.3
181.03473	2.6
183.04959	3.2
185.03012	4.5
187.00842	16.5
189.02443	6.6
189.06009	3.6
191.03998	8.0
196.99263	2.9
199.00903	3.6
201.00679	3.4
201.02385	7.5
201.06026	3.6
203.03996	5.7
203.07446	2.6
205.01859	5.6
211.04642	2.4
211.06657	2.8
213.02464	1.9
215.00339	11.0
219.01698	3.7
219.03499	19.7
219.07082	7.0
221.05026	19.8
223.01160	3.6
229.01993	3.2
231.03539	4.5
231.07158	8.3
233.05032	7.7
239.02200	2.2
239.06085	6.7
245.05051	5.3
247.02980	22.6
249.04532	5.4
253.07777	2.3
255.07011	1.9
261.04581	2.5
261.08368	8.4
265.04001	7.2
272.79910	1.8
273.08224	2.4
279.09225	9.1
289.04071	12.3
306.06226	2.1
321.11707	100.0
322.10303	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36537	1.8
56.96554	2.1
58.29470	1.8
69.78526	12.0
85.02888	4.7
97.02873	3.2
98.97556	2.8
101.00886	11.4
106.84341	1.9
113.00864	2.3
115.02417	7.3
119.01917	24.8
127.02408	2.0
128.68530	1.7
131.01865	10.4
133.03461	25.1
137.02925	3.5
138.55156	2.1
142.03284	3.4
143.01869	5.0
145.03488	5.3
147.04945	3.3
151.04424	3.6
155.01910	6.9
157.03406	3.5
159.05029	8.6
159.36673	1.8
160.04329	3.0
161.02943	7.9
168.99773	2.1
171.04996	8.0
173.02934	8.7
175.04417	2.8
177.06111	4.1
187.00873	7.0
189.02403	3.8
189.06061	4.6
191.03958	4.7
195.07080	3.8
201.06004	3.2
215.00310	7.3
219.03470	3.5
219.07155	8.3
221.05138	13.3
229.01965	3.4
231.07162	13.4
233.05089	6.8
233.08607	3.6
245.05095	9.1
247.02991	16.1
255.07080	2.9
261.08261	5.7
265.03949	2.5
273.08255	2.5
279.09247	8.3
315.97855	2.2
321.11627	100.0
322.10754	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	321.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.6
56.96559	6.1
57.03417	1.5
58.99852	1.8
61.02908	2.2
68.98282	1.1
69.03424	3.1
70.22771	2.0
70.23183	1.2
70.99844	1.3
71.04973	0.9
73.02892	1.1
77.00880	2.1
77.80853	0.7
80.88766	0.7
81.03400	1.3
81.97527	0.6
82.99848	2.3
84.08136	1.0
84.96021	1.2
85.01392	0.9
85.02901	5.0
86.99313	1.3
87.04443	0.9
89.00869	1.1
91.02439	2.3
94.99842	1.5
97.01388	1.4
97.02890	4.1
98.97565	12.9
101.00866	29.0
102.00976	1.1
103.02401	1.7
103.22771	0.7
105.00318	1.0
106.88130	0.6
110.97528	2.3
112.99095	2.1
113.00852	9.4
115.02419	18.5
116.98597	6.5
117.03974	6.9
119.01908	73.8
120.02000	2.4
121.01597	1.1
121.03470	1.4
126.98761	1.0
127.02374	2.4
127.03856	0.7
128.98613	3.1
129.02197	1.3
129.03967	4.0
129.04735	0.6
131.00182	1.7
131.01895	32.2
133.03455	49.2
134.99573	1.2
135.04999	6.9
137.00853	1.4
137.01974	0.8
137.02948	11.4
139.02397	0.9
139.03438	0.8
141.03935	2.9
142.03506	1.4
143.00159	1.2
143.01881	17.6
144.99733	2.3
145.01692	0.8
145.03453	18.5
146.99623	1.5
147.01355	2.4
147.03227	2.3
147.05017	5.9
149.01169	1.7
149.02946	5.2
151.04510	8.1
153.03889	1.3
155.01883	24.2
156.02718	4.0
156.04945	0.7
157.03433	9.0
158.08107	0.7
158.99669	1.5
159.01283	1.0
159.03197	1.4
159.03488	0.9
159.05016	29.0
159.06355	1.6
160.05179	0.7
161.02940	30.1
161.06520	1.4
162.03041	0.8
163.04504	6.3
165.04190	0.6
165.06007	0.7
167.01837	1.0
168.99783	7.9
169.03368	1.6
171.01390	3.2
171.05008	29.8
172.05287	0.9
173.01437	1.4
173.02939	29.1
173.06561	5.3
175.02902	1.2
175.04509	9.4
177.00664	2.5
177.02403	2.2
177.04305	3.4
177.06041	13.6
179.01909	1.5
179.03908	1.9
183.03542	0.9
183.05022	5.8
184.04498	0.8
185.02950	5.2
185.06602	3.9
186.54478	0.7
187.00865	19.8
187.04373	3.1
189.00778	1.5
189.02396	9.2
189.04303	1.6
189.06042	17.6
191.02351	1.2
191.03984	11.6
191.07576	2.5
193.03439	1.2
195.05263	2.6
195.07076	2.4
196.99289	3.8
197.02879	3.4
197.06474	1.1
199.00984	0.9
199.04364	1.1
201.00768	1.2
201.02402	2.9
201.04272	3.2
201.06041	10.0
203.03957	11.5
203.07600	2.5
205.01941	7.1
205.05598	1.0
207.03400	1.1
210.02374	1.0
211.04419	1.7
213.06038	6.4
215.00351	22.0
216.00536	1.0
217.01944	1.5
217.05618	1.0
219.01675	3.9
219.03510	2.8
219.07127	21.4
221.05048	45.4
222.05180	1.9
225.06013	1.1
229.01917	8.9
230.02049	0.9
231.03540	0.9
231.07109	19.2
233.01324	2.6
233.05042	8.7
233.08690	2.9
236.83047	0.7
237.02774	5.8
238.01927	0.8
239.06035	0.8
239.29665	0.6
240.07544	1.5
243.07117	2.9
245.05074	16.2
245.07619	1.1
245.08693	0.9
246.05104	0.9
247.02959	32.8
248.03128	0.9
249.04510	1.5
249.08128	0.8
255.04526	0.8
255.07076	5.2
259.06522	2.3
261.08252	36.8
262.08429	1.1
263.06186	1.7
265.03864	6.0
270.04428	0.9
273.08099	6.1
279.05786	2.3
279.09235	50.6
280.09512	1.5
289.03915	3.6
302.10797	1.6
321.10284	100.0
321.60059	1.2
322.10397	2.7
339.10257	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2423
Annotation	11S,12R-EpETrE
Peak:m/z	Relative Intensity
53.03930	4.3
55.05508	52.3
57.03426	3.3
57.07076	11.2
65.03929	2.1
67.01854	3.6
67.05499	41.4
69.03431	11.0
69.07066	52.1
71.04985	11.6
71.52673	3.4
79.05486	28.4
81.03423	17.0
81.07049	100.0
83.04980	12.0
83.08614	15.1
85.06531	8.3
85.83744	2.5
91.05467	20.0
93.07034	65.3
95.04381	2.8
95.04966	57.2
95.08598	86.4
97.06528	14.1
97.09550	3.2
97.10158	58.3
99.04429	4.4
99.08083	4.2
103.05438	2.1
105.07021	47.5
107.04922	3.6
107.07875	4.2
107.08585	66.0
109.02878	8.5
109.06519	19.9
109.10145	56.8
109.10796	1.5
111.08074	8.4
111.11696	7.8
113.05958	2.4
117.03348	5.5
117.07001	6.7
119.08575	40.7
121.06477	7.1
121.10127	49.0
122.07201	2.5
122.10493	2.0
123.08053	12.7
123.11692	30.5
125.06006	2.2
125.09590	21.4
127.03794	2.1
128.06142	2.6
129.07008	9.6
131.08560	11.1
133.10112	29.3
135.08040	6.0
135.11671	37.8
137.09612	9.2
137.13243	5.0
139.11147	11.0
141.06976	3.6
143.08566	4.6
143.10695	14.4
145.02829	10.5
145.10085	17.4
147.08031	2.6
147.11679	33.3
149.05995	2.7
149.09583	7.0
149.13231	21.5
151.11163	13.3
153.12732	5.0
157.06459	6.1
157.10147	3.4
158.07230	5.8
159.08044	5.1
159.11647	17.3
161.09694	2.4
161.13293	10.9
163.07658	2.0
163.11156	15.4
163.14790	12.5
165.12720	11.9
169.06525	2.4
171.08073	2.4
171.11647	3.4
173.13298	9.9
174.06754	7.0
175.11177	2.6
175.14809	8.7
177.05438	17.8
177.09181	2.5
177.12711	6.3
179.14240	3.2
185.13326	3.1
186.06714	2.9
187.07452	6.0
187.14784	11.4
188.08263	2.4
189.09048	12.2
189.16377	3.5
191.14279	3.9
193.15871	2.9
199.07329	3.1
199.14767	2.2
200.08218	2.8
201.16380	3.9
202.06221	7.7
203.14201	2.6
205.15848	3.0
209.15308	3.0
211.14822	3.4
215.17970	4.3
217.08575	27.0
219.10089	3.2
223.17001	2.9
230.09358	3.8
246.06712	3.8
248.10298	9.2
257.22638	7.8
261.09070	7.2
261.22000	2.5
263.20139	2.6
267.21014	3.6
273.22177	2.0
275.06900	2.4
275.23602	11.6
285.22116	8.1
289.08594	5.8
293.24609	3.3
303.19669	4.4
303.23160	75.1
304.23288	3.0
321.09863	11.4
321.13275	30.3
321.21286	2.3
321.24203	51.3
322.13657	4.5
322.24359	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84157	1.7
53.03936	3.7
53.07099	1.8
55.01856	2.7
55.05510	23.6
57.06824	1.9
57.07069	13.6
59.04992	2.8
63.45388	1.8
67.01846	9.3
67.05500	44.1
69.03405	5.7
69.07063	40.8
70.78051	5.6
71.04972	6.1
71.08627	4.7
73.02903	1.6
76.82912	1.7
79.05477	16.4
81.03417	13.6
81.07051	89.4
83.04977	10.6
83.08617	19.0
85.02909	2.9
85.06520	5.6
85.10180	2.4
89.03954	1.8
90.19244	1.8
91.05482	10.4
93.07039	34.6
95.04987	9.7
95.08600	100.0
96.08955	2.2
97.02891	2.4
97.06512	6.1
97.10149	15.9
99.04434	2.6
105.07014	18.3
107.04937	2.4
107.08585	39.1
109.02902	4.1
109.06488	7.6
109.10150	59.9
111.08087	5.2
111.11707	6.3
114.53120	1.9
115.07545	3.5
116.83011	2.0
117.03326	4.4
119.08579	13.8
121.06498	2.8
121.10131	30.2
123.08108	3.0
123.11697	30.0
125.09610	3.1
127.03860	2.3
127.07561	2.9
129.07042	2.9
131.08557	4.5
133.10106	12.1
135.08047	5.3
135.11676	18.3
136.09171	1.8
137.09596	4.2
137.13220	18.0
139.07536	3.0
145.02846	10.4
145.10106	8.3
147.07965	2.3
147.11659	9.7
149.09593	5.8
149.13266	10.4
151.11142	6.2
151.14833	5.3
153.09102	2.4
159.08040	2.6
159.11646	5.1
161.05978	2.1
161.13286	4.7
163.11176	8.1
163.14778	3.8
165.12761	4.1
167.10667	8.1
173.13251	5.2
175.14806	5.8
177.05479	12.4
177.12709	6.3
178.03383	1.9
179.17967	3.8
181.12247	5.4
187.14787	5.2
189.16321	3.5
189.79280	1.8
191.14313	3.0
195.13799	7.2
201.16347	2.9
205.15788	3.0
209.15385	5.5
217.08528	4.4
218.07292	3.1
223.16960	2.5
229.19635	2.1
237.18604	2.2
240.28358	2.0
246.06720	2.6
247.07381	2.3
247.09654	2.0
251.20061	4.2
261.09100	4.3
261.25873	3.0
261.66718	2.4
263.06732	2.0
265.21466	5.5
267.20932	3.4
269.12219	2.2
274.06308	2.4
285.22250	3.4
285.25644	3.6
289.08545	4.6
303.20010	2.4
303.23148	11.8
303.26776	5.1
306.08768	3.4
321.09970	20.6
321.14249	2.6
321.24252	10.2
321.27850	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04212	1.3
53.03941	1.7
55.05506	20.9
57.07073	13.5
62.76617	1.4
65.03926	2.3
67.01858	5.6
67.05497	38.9
69.03407	4.1
69.07063	36.3
70.92986	5.0
71.04961	3.7
71.08607	5.3
77.89368	1.4
79.05477	13.6
81.03410	7.6
81.07043	82.5
83.04964	3.2
83.08612	19.3
85.06534	7.1
87.82198	1.4
91.05468	8.4
93.07035	29.0
94.68052	1.6
95.04961	8.8
95.08593	100.0
97.02842	1.5
97.06506	4.5
97.10155	13.7
99.04443	3.6
101.05995	1.8
103.05440	1.6
105.07021	14.9
107.04923	1.8
107.08580	38.8
109.02872	3.7
109.06524	3.6
109.10143	57.3
110.10502	1.7
111.04442	1.7
111.08059	4.1
111.11710	4.0
117.03355	2.8
117.07012	3.6
119.08555	14.3
121.06508	2.5
121.10130	25.5
123.08033	3.8
123.11699	27.2
125.09625	4.0
125.13271	2.1
127.03937	1.9
127.07503	2.4
131.08554	6.9
133.10114	8.7
135.08028	4.6
135.11653	14.4
137.09602	4.6
137.13235	17.0
139.07396	1.6
139.11191	1.6
143.10669	1.7
145.02843	8.6
145.10089	6.6
147.08031	1.5
147.11690	8.9
149.05940	2.0
149.09622	6.4
149.13219	9.2
151.11194	4.8
151.14793	5.8
153.09103	2.6
159.11671	6.3
161.09656	1.7
161.13144	3.4
163.11177	5.8
163.14827	3.7
165.09093	1.6
165.12779	3.0
165.16348	3.8
167.10698	5.2
173.13229	5.8
175.14838	2.7
177.05426	8.4
177.12660	3.3
179.17929	2.8
181.12212	6.1
187.14812	2.8
191.14249	2.9
195.13797	6.3
201.16406	1.7
205.15817	2.1
209.15347	4.4
215.17877	2.4
223.16814	3.4
229.19588	2.4
237.18449	2.4
247.09648	1.6
251.20099	2.5
252.76649	1.9
261.09100	4.2
261.25793	4.6
265.21564	5.7
269.12274	1.8
275.23795	1.6
278.09235	2.6
285.25699	4.1
289.08505	4.9
303.23169	6.0
303.26862	5.5
306.08838	2.1
321.09573	15.1
321.24142	6.5
321.27832	28.7
327.96188	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59601	0.2
56.96573	0.9
69.87238	0.9
71.95238	0.2
75.39922	0.2
98.21384	0.3
98.97570	2.9
101.00845	0.4
106.35101	0.2
116.98603	2.6
119.01907	2.0
122.97820	0.2
123.98631	0.2
134.99657	1.7
137.02925	0.8
140.98770	0.2
142.03508	0.2
153.00795	0.4
158.99907	0.5
160.04514	0.2
177.00943	13.0
178.01079	0.8
182.99738	1.6
195.01965	0.3
201.00894	4.5
202.00951	0.3
202.93408	0.3
214.95512	0.3
218.03586	0.6
219.01990	100.0
220.02106	7.3
221.02365	0.7
224.02533	0.2
232.92982	0.3
232.96593	0.3
234.99759	0.4
235.99910	0.3
236.99507	1.3
237.03099	0.5
238.95560	0.8
242.03572	5.5
243.03821	0.4
256.96606	7.7
257.96667	0.8
258.99722	0.4
260.00226	0.3
260.04684	0.5
261.03018	0.5
262.95578	0.3
272.94589	0.4
273.94647	0.2
274.94162	1.1
274.97641	3.3
275.97992	0.2
277.00766	0.4
278.01053	0.5
279.00613	0.2
279.98199	1.5
280.96381	0.9
292.95264	0.8
297.99185	0.6
298.18506	0.2
298.97659	33.7
299.05106	0.6
299.18808	0.2
299.97736	1.7
303.98053	0.3
314.95889	0.3
316.95386	0.5
316.98862	0.5
319.43701	0.2
321.99271	3.5
322.99438	0.2
325.42407	0.3
325.92255	0.6
328.44250	0.7
328.94089	0.4
329.44214	0.4
334.92621	0.4
338.44934	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01857	2.0
55.04390	0.6
55.05502	1.2
56.96548	1.7
57.03423	4.3
59.04986	0.8
61.02917	5.4
66.20679	0.6
69.03423	16.9
70.06570	0.7
70.29141	1.1
70.29534	1.7
71.01337	1.3
71.04973	1.8
73.01107	0.8
73.02907	4.7
81.03388	5.3
83.04951	1.2
85.02898	30.0
87.02674	3.0
87.04456	5.2
89.03881	0.8
91.03941	1.1
97.01101	0.6
97.02876	10.8
98.00616	2.2
98.97570	3.1
99.04438	2.8
100.02189	7.9
101.02357	1.4
103.03921	1.8
109.02879	3.3
112.02186	2.2
113.02943	3.8
114.03750	3.7
115.02122	1.8
115.03922	1.2
116.98607	1.6
124.02152	1.9
126.03716	6.0
127.03902	8.4
128.01645	1.1
128.98643	0.7
129.02429	9.3
134.99548	0.7
135.04428	1.1
142.03204	70.8
142.08609	1.2
143.03551	0.7
145.04941	4.5
146.99678	0.8
147.60464	0.6
158.99673	1.1
160.04256	100.0
160.07607	1.8
160.09637	5.1
161.04680	1.0
162.74063	0.7
163.01306	0.6
163.03879	2.9
177.00735	0.8
184.04207	0.8
196.04849	0.9
199.05499	0.7
208.35901	0.8
212.33307	0.7
219.01680	1.1
221.04889	0.6
237.02832	1.3
287.28043	0.7
304.08585	0.7
309.08511	1.6
321.21100	0.6
322.09494	19.2
322.15097	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
53.69465	0.6
55.01868	0.8
55.61063	0.6
57.03424	3.0
57.03675	0.6
58.73968	0.6
61.02916	3.1
69.03426	10.0
69.50612	3.8
69.51022	1.7
70.06595	1.1
71.01357	0.7
72.08158	1.4
73.02917	3.4
81.03419	3.1
85.02901	12.1
87.04459	2.4
91.03945	1.2
91.05532	0.7
97.02890	5.7
99.04475	1.4
100.09529	0.6
101.02405	0.8
106.60830	0.6
109.02882	2.1
115.05430	4.4
115.07600	0.6
117.07023	1.1
123.04413	0.9
124.02205	0.8
127.03915	2.4
130.06500	5.5
132.08084	8.1
142.03262	1.8
142.06516	34.0
143.07292	9.3
144.08083	15.8
145.02861	1.1
145.04968	1.0
147.04327	1.2
155.06038	0.7
158.06042	4.2
159.06778	2.0
160.04311	2.4
160.07568	95.4
161.07933	2.0
172.07587	1.4
177.05446	2.3
202.08618	1.0
234.11363	1.4
287.56046	0.7
293.67773	0.8
322.12811	100.0
322.21033	1.9
323.13248	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24185	5.4
59.10065	5.0
67.12576	5.1
69.72480	23.9
98.21511	5.2
135.59229	4.9
140.21999	5.2
143.01903	8.4
158.09691	5.2
161.02901	8.9
161.99489	8.1
173.03017	7.4
177.01094	5.1
323.07379	100.0
323.11139	5.8
339.19736	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	323.0757
Annotation	Leukoefdin
Peak:m/z	Relative Intensity
53.03912	1.8
55.01857	4.3
57.03408	1.8
59.75397	1.4
65.03921	3.5
67.01845	3.2
67.05493	2.7
68.99786	8.0
69.03404	5.6
69.07050	1.7
70.06586	4.0
71.52065	2.8
78.04691	4.4
79.05493	2.9
81.03400	5.5
83.01313	4.0
83.04943	2.4
84.08110	1.8
85.02874	5.2
86.09698	2.3
91.05464	4.9
95.01315	3.5
95.04944	6.2
95.08615	1.7
97.02881	2.7
99.04464	1.6
105.07021	4.3
107.04941	4.1
107.08566	2.3
109.02852	5.8
111.00754	2.6
111.04427	4.5
113.02347	3.6
115.05444	3.9
116.07079	2.8
117.03354	1.9
119.04919	5.2
120.08135	2.0
121.02875	1.9
123.04412	91.3
124.05193	21.6
125.02309	4.1
127.03927	3.4
128.06184	1.7
129.06952	1.9
131.04858	2.8
133.06477	2.0
135.04384	3.0
137.02325	7.3
137.05946	1.7
139.03879	37.9
141.01826	3.4
143.04935	2.4
145.02837	3.2
145.06522	1.8
147.04408	18.5
149.05997	4.0
151.03902	6.5
152.04672	18.5
153.01794	3.2
154.02621	3.8
155.03375	100.0
156.03789	2.1
161.05945	7.5
161.07980	2.6
163.03856	11.4
165.05486	5.9
167.03363	4.8
167.07043	3.1
171.02879	2.1
175.03789	2.8
177.05438	7.9
179.03365	4.1
179.06989	2.9
181.04926	4.5
183.02885	4.5
185.05936	1.9
189.05447	4.1
193.08589	3.7
197.05952	2.1
199.03915	2.4
199.07344	1.7
201.05429	2.0
207.07617	6.3
213.05402	2.5
223.05844	2.2
227.06934	2.6
240.52382	1.5
251.54973	1.6
252.38826	1.5
259.05954	2.5
305.06635	3.7
305.11163	1.8
323.07913	3.1
323.12067	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93564	1.2
52.73138	1.2
53.03965	1.3
55.01863	4.3
57.03423	1.6
61.02895	1.1
67.05463	1.2
69.03085	1.2
69.03426	18.4
69.07050	1.1
70.68796	3.5
81.03408	5.5
81.07037	1.3
85.02898	87.3
86.03239	1.0
91.05480	13.8
93.07032	2.3
95.04993	2.5
97.02904	1.4
103.05450	6.1
105.07002	2.2
107.04941	1.8
109.02850	1.4
115.05430	1.8
117.92645	1.1
119.04932	18.8
120.05223	1.1
121.06489	5.6
123.04434	6.5
127.03902	20.8
128.06221	2.4
129.06961	4.1
131.04935	7.0
131.08585	1.2
133.06508	1.3
135.04376	2.0
135.08081	1.2
137.05966	15.7
140.16339	1.1
143.04909	1.1
143.08530	1.4
145.04942	23.0
145.06502	2.3
147.04401	45.3
148.04724	1.4
149.05969	17.9
150.89099	1.1
151.07526	3.1
153.06961	2.4
157.06413	3.0
159.07968	1.0
161.05978	3.7
163.03860	1.7
163.07629	1.2
165.05461	100.0
166.05759	2.3
167.07008	3.8
169.06389	1.0
171.07996	2.0
173.05992	1.8
173.46797	1.1
174.06799	1.5
175.07501	6.8
177.05443	4.8
179.06944	1.6
181.04915	1.7
181.06465	3.2
182.06944	1.1
182.08762	1.1
185.06026	1.8
187.07585	1.7
189.05464	2.4
189.09099	2.2
191.06935	1.7
195.06474	6.2
199.07487	3.0
203.07010	9.1
203.08629	1.7
205.08546	1.7
215.06982	1.7
217.08621	6.4
221.08119	9.1
227.06979	2.2
231.08105	2.2
233.08083	2.8
235.09628	1.2
245.08078	21.3
245.10454	2.0
247.07426	1.2
248.08328	2.1
259.07492	1.4
263.08929	7.8
291.10086	4.4
323.12497	5.3
324.09769	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01854	2.5
55.05507	1.2
57.03413	2.6
60.87298	0.9
64.50217	0.8
67.05484	1.4
69.03078	1.7
69.03425	20.1
69.64580	7.5
70.06590	1.1
79.05486	1.4
81.03426	7.0
81.07053	2.2
85.02898	82.3
87.04449	0.9
91.05467	17.0
93.07030	1.5
95.04939	1.6
95.08588	1.4
100.09052	0.9
103.05482	4.8
105.07026	2.9
107.04955	1.2
107.08624	1.3
109.02847	3.0
117.07018	1.5
119.04931	20.2
121.06507	6.0
121.10154	1.7
123.04411	5.9
123.07967	0.9
124.37535	0.8
127.03913	19.6
128.06224	2.4
129.06996	5.2
131.04935	7.8
133.70570	1.1
135.04460	2.0
135.08139	0.9
137.05960	12.6
139.61227	1.0
143.08479	1.2
145.04942	27.5
145.06250	1.7
145.06454	1.4
147.04398	47.4
149.05978	16.9
151.07491	2.0
153.06961	3.1
157.06454	4.8
160.05199	1.1
161.05968	5.4
163.03954	2.4
163.07535	1.5
165.05463	100.0
166.05756	2.8
167.07019	4.8
171.08081	1.4
173.05885	1.7
175.07483	6.9
177.05392	4.7
179.07016	1.7
181.04945	2.2
181.06485	2.4
185.05969	1.7
189.05438	3.0
189.09102	1.8
191.06839	1.4
191.08289	1.6
195.06511	5.0
199.07559	3.8
203.07001	8.3
203.08611	2.0
205.08583	1.3
215.06769	1.5
217.08569	4.3
221.08067	12.0
227.07068	2.8
231.07988	1.5
233.07982	1.9
245.08064	19.3
246.08519	1.2
248.08319	2.6
259.07401	1.2
263.08945	8.4
276.07870	1.5
291.10089	4.9
292.10791	1.7
305.10242	1.8
308.10535	1.2
323.12753	7.4
324.09708	1.9
325.89758	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1276
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
51.02378	1.2
51.21761	0.7
53.03934	1.6
55.01861	1.6
55.05500	2.0
57.07059	1.5
67.05489	2.9
69.07047	3.5
70.77099	1.6
70.77457	1.8
71.04975	0.9
79.05482	7.0
81.03403	1.4
81.07044	6.6
83.08596	2.3
85.06545	2.1
91.05466	6.3
92.06252	1.4
93.07019	4.3
95.04952	2.7
95.08619	4.8
97.10138	1.2
103.05458	17.7
105.03369	1.5
105.04523	1.0
105.07025	15.5
107.04933	3.9
107.08571	4.6
109.06469	1.7
109.10133	2.8
111.04422	1.0
111.08076	1.9
115.05458	3.0
117.06990	3.3
119.04939	2.7
119.08568	1.9
121.06498	7.6
121.10130	2.0
123.04433	1.1
123.11700	2.6
128.06219	1.7
129.06961	1.8
131.04915	41.1
131.08607	1.5
132.05696	2.3
133.06480	56.5
133.10124	2.2
134.06813	2.0
135.04402	100.0
135.11623	1.6
136.04776	1.2
137.05975	4.7
137.09549	0.8
137.13237	1.0
141.06944	0.9
143.04921	2.2
143.08553	1.4
144.05725	1.4
145.06496	8.2
147.04419	1.1
147.11685	1.2
148.05237	1.0
149.05971	16.3
149.13228	1.4
151.07568	1.6
157.06491	3.6
159.04404	6.5
160.05185	3.7
161.05966	44.2
163.07516	3.0
171.04367	1.5
171.08066	1.7
173.05957	7.1
175.07468	1.7
185.06015	2.3
186.06741	4.2
187.07440	4.4
191.08623	0.8
199.07544	1.8
201.09032	2.4
202.07851	2.3
203.08586	1.3
217.10083	1.9
219.08022	1.5
220.08810	1.5
231.07988	2.7
232.08894	1.1
233.09586	1.0
235.07532	1.4
235.11234	3.3
245.09641	2.0
247.07396	1.7
248.08261	3.0
249.09338	1.0
259.07401	1.6
261.09116	1.1
263.10666	4.8
265.08841	1.1
265.11917	1.0
276.07721	1.1
277.08685	1.0
277.25024	1.1
291.10086	5.3
292.10742	0.9
293.11688	14.0
305.24811	1.5
308.10367	13.0
309.11295	0.8
323.12747	67.8
324.13123	3.7
326.11401	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	323.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03447	1.5
57.89682	1.4
63.45220	1.2
67.05495	2.3
69.03403	2.2
69.07052	2.3
71.52721	1.7
79.05492	3.1
81.03413	3.0
81.07038	2.2
83.04967	1.3
91.05479	4.0
91.27917	1.5
93.06996	2.2
95.04935	2.4
99.31507	1.6
105.07037	3.5
107.04952	28.8
107.08593	1.7
109.02844	1.9
109.06555	2.1
111.04472	1.3
115.05431	1.8
117.07018	2.4
118.06541	4.9
119.04929	4.5
119.08553	2.3
121.02879	3.1
121.06490	3.1
121.10123	2.5
122.06008	4.8
123.08046	1.9
124.07576	1.8
127.03925	1.7
129.07002	8.3
130.06500	9.1
131.04907	2.1
132.08080	7.1
133.10133	1.6
134.06024	7.4
136.07547	7.3
137.05945	4.6
143.07306	3.7
144.08075	90.9
145.06490	2.8
146.06017	10.2
147.04393	1.5
147.08028	1.4
151.07501	3.0
154.06514	3.5
156.08080	28.5
158.09641	4.9
160.07561	8.9
161.05972	6.6
166.06488	3.8
167.07306	44.6
168.08044	4.0
173.10756	4.2
175.07523	1.6
180.06544	22.4
184.07582	2.1
188.07037	8.9
193.08592	1.8
200.07013	2.5
202.08638	27.3
202.79311	1.4
203.08585	3.3
203.17693	1.4
217.08893	1.7
218.09605	2.1
230.09576	2.5
232.11176	2.8
233.08372	1.5
236.10721	3.2
241.08861	8.1
242.09677	10.0
246.09151	33.6
247.09750	8.6
248.10677	3.0
250.12267	5.7
259.09836	3.8
260.10699	100.0
261.11270	3.1
262.12268	4.0
264.10117	2.2
270.09158	1.9
288.10199	4.1
291.10251	2.8
306.11234	60.0
307.11685	1.6
323.09290	3.3
323.13705	19.1
324.17557	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1639
Annotation	Lonchocarpene
Peak:m/z	Relative Intensity
51.90517	1.8
55.05511	1.8
57.07071	1.7
58.35012	1.5
59.04985	6.7
62.06075	4.6
65.58102	1.6
67.05489	6.8
68.44264	1.7
69.03407	1.6
69.07060	2.8
70.87187	4.2
70.87553	3.1
79.05476	9.1
81.07041	4.8
91.05486	8.2
93.07034	3.9
95.04940	6.6
95.08604	3.0
103.05476	4.4
105.07027	38.8
121.06489	6.1
121.10139	2.9
123.08068	2.1
128.06229	3.2
129.06981	2.8
135.08031	8.0
136.05151	1.9
137.05968	2.8
141.06891	2.1
145.06473	2.6
146.07262	2.9
147.08067	2.8
151.07515	10.3
153.07008	2.7
157.06451	3.5
158.07278	3.5
160.05193	2.7
166.06264	4.1
170.07199	2.3
173.05940	2.1
174.06795	5.1
175.07520	3.9
177.09085	3.0
181.08614	8.9
183.16107	2.2
185.09602	5.1
187.07509	1.9
189.09079	14.5
199.07553	3.3
201.09068	8.4
202.07816	4.4
203.08673	2.8
205.10141	2.3
207.08012	2.8
215.08586	5.2
215.10632	8.2
216.09323	5.1
217.08527	6.1
217.10225	4.8
219.08130	3.5
221.09737	2.3
222.10281	1.9
229.10156	5.2
231.08047	3.7
231.10129	15.0
232.08807	4.1
232.10950	7.9
233.09622	12.3
234.10292	4.3
235.11082	2.6
239.10735	2.1
244.08728	2.5
244.11009	3.2
245.09595	31.8
245.11873	2.9
246.10358	4.4
247.07437	2.5
247.11160	6.5
248.08270	1.8
249.09134	2.8
249.12729	2.8
250.09816	3.1
251.10745	4.1
259.11279	14.7
260.11966	29.9
261.09048	15.1
261.12659	6.0
262.09781	5.0
262.13660	1.8
263.10648	3.6
265.12152	8.7
267.10306	2.1
275.10477	3.2
276.11462	17.8
277.09280	2.5
277.12155	15.4
291.10532	2.5
291.13766	60.3
292.11530	2.2
292.14465	11.3
293.11685	12.0
308.10709	1.8
308.13913	10.6
323.12943	4.9
323.16373	100.0
324.16931	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	11.6
55.01853	14.1
55.05506	45.8
57.03433	9.3
57.07058	9.0
67.05237	5.6
67.05505	61.7
69.03405	11.4
69.07061	43.8
71.04961	6.9
71.53024	8.9
79.05485	53.1
81.03397	8.2
81.07047	92.0
83.04979	34.0
83.08598	18.6
85.06532	13.2
91.05471	67.8
93.07033	66.4
95.04948	16.8
95.08604	58.4
97.02902	5.8
97.06494	10.4
97.10129	10.4
102.35189	5.7
105.07011	53.6
107.04944	19.7
107.08577	43.8
109.06493	20.3
109.10164	44.0
111.04429	9.8
111.08059	18.5
117.06992	15.0
119.08562	25.9
121.06488	20.8
121.10158	19.3
123.04377	6.7
123.08054	15.8
123.11658	14.9
129.07062	9.0
131.08531	21.8
133.06468	10.9
133.10097	66.8
135.08032	11.1
135.11710	14.0
137.05963	8.0
137.09633	9.1
139.07527	11.5
143.08530	14.1
145.10124	12.7
147.08038	7.8
147.11691	9.8
149.05974	7.6
149.09595	11.7
151.07446	5.7
151.11177	61.6
155.08614	5.7
157.10101	9.9
159.08083	7.9
159.11690	7.2
161.09628	14.6
163.11160	6.6
165.09030	7.8
170.30905	6.1
175.11150	10.7
179.10625	11.2
183.13777	23.4
185.13283	6.8
189.12816	8.7
227.17841	8.9
245.18999	20.4
258.92523	6.6
263.20111	21.3
265.61197	6.2
273.18378	46.9
283.06485	7.0
291.19522	100.0
305.21118	17.3
323.22342	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2578
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
51.02369	1.4
52.44955	1.2
53.03931	2.9
55.01858	2.1
55.05505	21.2
57.01249	1.3
57.07066	8.4
59.04984	2.4
65.03923	1.5
67.05498	19.6
69.03423	6.3
69.07060	37.7
70.82080	3.0
70.82417	1.8
71.04980	4.7
71.08616	2.7
79.05486	16.5
81.03394	1.9
81.07048	65.9
83.04975	5.5
83.08604	14.4
85.06510	6.8
91.05456	12.8
91.16020	1.1
93.07034	26.4
95.04959	9.5
95.08595	49.9
97.06506	6.9
97.10164	17.6
99.08070	1.7
103.05450	21.4
105.03358	1.8
105.07024	30.8
107.04935	5.8
107.08586	29.9
109.02815	1.5
109.06525	4.6
109.09454	2.4
109.10143	30.9
110.89474	1.4
111.08083	6.0
111.11713	6.2
115.05434	2.1
115.11160	1.9
117.07008	4.3
119.04948	2.8
119.08576	15.5
121.06474	7.7
121.10138	21.2
123.08063	2.6
123.11693	35.8
125.05975	1.4
125.09623	5.3
128.06250	1.8
129.07066	1.6
131.04921	43.9
131.08565	3.9
132.05598	1.3
133.06476	54.5
133.10126	18.8
134.06850	2.6
135.04405	100.0
135.07976	1.9
135.11707	11.4
136.04721	2.7
137.05965	5.7
137.09607	11.0
137.13226	5.7
139.11154	8.9
143.04858	1.7
143.08546	4.4
143.10674	1.9
145.06462	8.0
145.10101	1.5
147.04431	2.3
147.11691	8.8
148.05231	1.7
149.05965	17.2
149.09744	1.3
149.13254	17.6
151.07541	4.0
151.11159	4.6
151.14862	1.8
153.12714	1.6
157.06502	2.6
157.10103	1.7
157.12199	5.0
159.04388	6.4
159.11714	4.4
160.05220	3.2
161.04614	2.4
161.05971	51.6
161.09596	9.1
161.13264	4.4
162.06352	2.7
163.07564	2.5
163.14787	5.4
165.09094	4.8
167.10617	2.6
171.08035	1.8
173.05997	9.6
173.13216	4.0
175.07549	2.8
175.11171	2.8
175.14807	6.0
177.05415	1.8
177.16362	4.9
178.07715	1.5
179.10649	5.6
181.12238	1.7
185.05969	5.2
186.06712	2.5
187.07550	4.2
189.16426	2.1
193.12170	2.8
193.15886	2.2
199.07474	2.4
201.09132	1.5
202.07773	1.8
203.08553	3.0
203.17918	3.0
207.08093	1.5
207.11848	1.3
213.16245	1.7
219.07988	2.2
220.08606	1.3
231.08136	2.3
231.17224	1.3
235.11157	3.8
245.09645	2.3
245.22626	3.0
247.07593	1.8
248.08208	3.5
259.24203	3.6
263.10733	7.8
265.08554	1.6
269.22632	2.6
277.25262	5.2
287.23663	3.9
291.10117	4.9
293.08514	2.4
293.11630	13.6
305.24753	15.9
308.10370	11.4
323.09583	3.2
323.12759	72.7
323.25812	14.7
324.09723	2.2
324.13165	10.0
326.11469	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.1
55.05505	30.1
57.07074	6.6
60.44408	2.7
67.05499	39.9
69.03414	3.6
69.07059	38.4
71.04986	9.4
71.52811	2.8
79.05485	29.5
81.03378	3.0
81.06585	5.4
81.07049	98.6
82.07384	2.9
83.04971	5.7
83.08620	14.3
85.06528	7.3
88.57388	2.6
91.05458	21.4
93.07034	50.8
95.04976	14.6
95.08596	100.0
97.06519	22.1
97.09573	3.2
97.10130	15.9
99.08068	3.8
99.51468	2.7
102.14697	2.5
103.05479	6.5
104.37650	2.5
105.07026	39.7
107.04935	3.1
107.08582	58.5
109.06522	12.8
109.10145	55.0
111.08027	16.2
111.11697	5.8
115.05466	5.7
117.07006	2.7
119.08553	25.2
121.06492	4.7
121.10131	37.5
122.03636	6.6
123.08057	8.2
123.11692	25.7
125.09601	27.1
128.06245	4.3
129.06953	3.7
131.04932	4.8
131.08504	5.1
133.06473	8.5
133.10110	22.8
135.04410	17.1
135.08060	4.3
135.11667	26.6
137.05968	76.4
137.09583	7.1
137.13234	6.8
138.06314	4.2
139.11166	7.7
141.06914	2.5
145.10085	7.8
146.03632	4.3
147.04370	3.3
147.11667	20.4
149.05966	6.0
149.09619	3.8
149.13237	32.5
151.07555	3.7
151.11139	9.8
153.12776	3.5
159.11674	6.5
161.05969	57.6
161.13223	18.2
162.06421	5.5
163.11166	3.4
163.14781	10.9
165.12727	4.8
165.16357	5.5
167.14322	4.0
169.02623	2.9
173.13155	4.6
175.14815	10.5
177.16426	6.4
184.05298	3.4
187.14897	4.2
189.16388	9.4
191.08499	8.4
191.14380	2.9
192.09297	3.5
193.15813	5.1
199.07500	33.1
201.09076	3.1
202.07733	18.3
203.08527	32.6
203.17920	2.9
205.06505	5.1
207.17461	6.0
213.16417	2.8
215.57158	2.7
217.10083	3.1
219.07993	11.7
220.08803	11.3
220.26613	2.8
221.09535	3.5
230.07274	3.2
231.08034	41.1
232.08678	10.7
233.09479	6.4
237.09056	3.6
245.09598	4.9
247.07541	10.6
248.08279	22.9
249.09068	12.8
258.06628	3.5
259.07513	25.7
259.24149	6.3
260.08264	10.0
262.09909	3.8
263.10599	31.0
264.11072	2.7
265.08505	5.8
269.22507	4.9
275.10443	3.1
276.07898	14.2
277.08594	11.0
277.11917	3.0
277.25189	10.0
287.23721	9.1
291.10135	70.7
291.13449	5.4
292.10867	19.9
293.08316	4.2
293.11420	5.9
293.24561	4.1
295.13220	7.9
305.24619	39.2
306.24554	3.6
308.10504	6.3
308.13980	3.1
309.11227	10.6
323.09293	3.9
323.12778	67.0
323.16504	9.3
323.25684	12.6
324.13425	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2577
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03923	2.7
55.01865	2.4
55.05505	36.2
57.03432	3.2
57.07064	9.4
59.04980	2.2
67.05492	30.0
69.03410	6.0
69.07056	52.2
69.61893	2.4
71.04960	5.4
71.08615	2.8
71.48429	3.5
79.05492	23.4
81.07045	100.0
83.04966	8.4
83.08609	19.7
85.06502	4.0
85.10172	2.3
91.05447	15.0
93.07032	55.1
95.04914	9.4
95.08597	96.8
97.06525	15.7
97.10169	24.6
99.08076	3.3
99.89542	2.2
105.07018	25.1
107.08585	54.1
109.06505	8.0
109.10143	51.8
111.08075	13.0
111.11689	6.9
119.08571	20.2
121.10126	37.1
123.08069	4.9
123.11691	37.9
125.09629	15.4
131.08545	3.4
133.06471	2.0
133.10101	26.0
135.11682	29.5
137.05989	5.1
137.09573	6.8
137.13203	8.5
139.07486	2.4
139.11162	11.7
145.10135	3.8
147.11665	14.1
149.05920	2.2
149.09624	2.4
149.13235	33.3
151.11145	8.1
151.14722	2.4
153.12698	2.5
157.12195	7.9
159.11682	7.8
161.13255	12.2
163.14754	11.0
165.12747	4.7
165.16376	4.3
171.11687	1.9
173.13206	2.8
175.14716	10.5
177.12749	3.1
177.16351	11.3
179.14256	3.0
189.16380	11.5
191.17917	2.2
193.15909	3.9
195.17363	3.2
203.08640	3.2
213.16446	2.8
219.08003	3.0
231.08295	2.4
248.08377	2.7
259.24124	5.0
263.10532	2.8
269.22586	5.3
274.70102	1.8
275.23718	5.2
277.09003	2.1
277.25278	17.7
287.23679	6.0
291.10025	4.9
293.04538	1.9
293.24634	5.4
305.24734	29.3
323.09024	4.5
323.12680	9.2
323.25775	19.4
324.13431	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	323.2576
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03936	2.6
55.01862	2.0
55.05264	3.0
55.05506	33.9
57.03417	3.0
57.07069	11.5
59.04999	1.9
67.05500	30.7
69.03411	2.2
69.06683	2.3
69.07060	49.8
70.81738	6.2
71.04961	5.2
79.05486	19.5
81.07050	100.0
83.04948	7.3
83.08614	18.3
83.47642	2.0
84.32819	2.0
85.06526	6.7
91.05468	14.5
93.07034	46.1
95.04366	2.0
95.04948	7.8
95.08596	88.2
96.08894	1.8
97.06526	14.6
97.10156	28.5
101.06074	2.6
105.07018	27.3
107.07881	3.5
107.08582	49.9
109.06502	5.4
109.10144	50.3
111.08086	13.7
111.11706	10.6
119.08564	25.6
121.10127	40.9
123.08052	4.3
123.11697	53.5
125.09636	15.4
133.10121	22.9
135.04350	3.7
135.11694	23.3
137.05984	4.1
137.09589	6.5
137.13243	6.6
139.11177	17.2
145.10085	4.2
147.11685	13.6
149.09613	2.5
149.13245	38.0
150.68835	2.0
151.11131	6.0
157.12231	9.7
159.11658	6.7
161.05992	2.3
161.13226	11.8
163.11142	2.8
163.14856	12.5
165.12752	9.4
165.16399	3.8
167.14310	4.0
173.13255	2.5
175.14795	6.5
177.12730	5.6
177.16382	10.4
189.16400	11.7
191.14265	3.5
193.15843	5.5
203.17874	2.3
215.17944	2.1
249.18555	3.5
259.24222	7.4
269.22766	4.9
270.19363	2.0
275.23566	4.4
277.25168	17.6
278.25616	2.6
287.23602	7.5
293.24744	4.7
305.24713	31.0
323.09177	3.5
323.12631	6.9
323.25732	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	323.2577
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03937	2.6
55.01863	1.6
55.05505	46.2
56.05020	1.2
56.36148	1.0
57.03432	2.5
57.07084	5.5
59.04991	2.1
67.05503	16.2
69.03419	5.1
69.07062	41.5
69.46056	8.8
70.06626	1.2
71.04996	1.3
71.08611	1.7
72.43655	1.0
73.06509	1.6
79.05486	9.0
81.03410	1.3
81.07049	41.9
83.04990	2.8
83.08613	8.2
85.06538	5.8
90.94196	1.1
91.05463	7.6
93.07034	20.5
95.04039	1.2
95.04940	1.5
95.08603	44.0
96.48751	1.0
97.06520	7.8
97.10159	100.0
98.10513	2.5
99.08080	2.6
103.29932	1.1
105.07031	8.9
107.08589	22.5
109.02845	1.9
109.06521	2.4
109.10136	17.0
111.08082	8.7
111.11713	6.8
117.07005	1.4
119.08603	6.3
121.10136	15.9
123.08025	2.4
123.11696	21.9
125.09621	13.8
131.08580	1.1
132.10165	1.6
133.10149	5.1
135.07951	1.6
135.11690	9.6
137.05991	3.8
137.13234	5.2
138.15350	1.1
139.11169	15.7
143.10663	37.2
145.10124	1.9
147.11670	4.2
149.13232	15.3
151.07671	1.1
151.11169	4.3
153.12727	3.8
157.12231	11.2
159.08118	1.3
159.11687	2.3
161.05981	4.5
161.13234	5.1
163.11229	1.5
163.14815	6.5
165.12833	1.7
167.14323	1.9
171.10155	2.6
171.11562	1.2
171.13834	1.1
173.13348	1.5
175.14824	1.8
177.05443	1.5
179.14287	3.4
189.11258	7.4
189.16348	2.4
191.18011	1.4
199.07631	1.9
219.08105	1.4
223.16924	1.9
231.08044	1.9
231.21497	3.2
234.06728	1.2
248.08217	1.3
263.10730	1.5
276.07681	1.8
277.25262	2.0
287.23624	2.6
291.10092	4.3
292.10538	1.6
305.24683	21.5
323.09198	3.7
323.12747	7.2
323.25928	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07874	2.3
55.05505	57.6
57.03434	2.3
57.06791	4.1
57.07070	62.4
62.45517	2.1
67.05499	34.7
69.07061	100.0
69.97693	7.2
69.98081	5.4
71.08624	45.1
78.07881	2.4
79.05483	12.2
81.06587	5.1
81.07048	93.0
83.08146	4.5
83.08617	63.0
85.06537	7.1
85.10168	26.9
91.05468	12.1
93.07031	25.3
95.07973	4.7
95.08597	89.6
97.06516	11.0
97.10160	51.6
98.21450	2.7
105.07017	22.3
107.08583	24.9
109.06514	4.4
109.10144	63.9
111.08060	6.9
111.11707	28.9
113.13267	3.2
115.07552	8.8
119.08562	23.6
121.10109	21.1
123.08056	8.6
123.11697	28.9
125.09607	3.4
125.13257	10.5
127.07627	3.0
129.09109	4.7
133.10130	24.9
135.11676	15.0
137.09631	12.6
137.13228	12.6
139.11177	6.1
139.14813	4.1
141.09012	3.4
147.11691	26.0
149.13240	9.3
151.11157	12.2
151.14777	9.8
153.12752	4.5
157.12228	2.6
161.13264	18.9
163.14815	10.5
165.12709	19.1
165.16367	2.8
167.14279	3.2
169.12254	5.3
175.14821	11.1
177.16360	3.0
179.14355	11.2
179.17854	3.8
183.13809	4.5
189.16409	5.9
193.15862	6.2
193.19524	4.8
194.81779	2.4
203.17880	7.5
205.19559	3.0
207.21016	4.0
217.15837	2.5
217.19461	4.6
221.18909	4.4
231.21147	4.7
235.20442	3.0
245.54216	2.4
259.24216	2.7
263.27298	29.0
287.27316	20.1
290.36276	3.1
305.28369	21.6
323.16284	4.2
323.29544	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	325.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	3.1
55.01859	8.8
56.96555	11.5
57.03421	11.9
61.02919	24.5
65.31045	2.3
69.03423	44.8
71.04993	4.2
71.52427	4.4
73.02900	9.8
74.97552	2.4
81.03403	10.3
81.25560	2.5
85.02895	100.0
87.04477	3.0
87.80875	2.2
90.94836	2.0
95.01269	2.3
96.49862	2.5
97.02880	36.6
98.97567	8.3
99.04439	8.6
101.02370	4.0
106.01057	2.3
109.02857	7.8
111.02915	2.2
112.02848	2.5
115.03884	3.9
116.98595	5.3
119.01848	12.3
121.01591	2.4
123.04463	2.2
127.03904	54.9
128.02292	5.5
128.98581	4.3
131.00110	2.3
131.01886	3.8
133.01450	2.5
133.03424	4.3
134.99635	3.7
137.05937	2.6
143.01788	3.0
145.03639	3.7
145.04921	28.2
146.99634	3.3
154.04771	11.6
161.02905	3.4
163.02737	7.5
163.04359	11.5
163.05368	10.0
167.07074	2.2
175.02670	4.3
175.04405	3.4
177.00684	2.3
177.02330	4.1
181.03784	3.7
181.05502	4.1
197.02858	3.7
205.05573	9.8
213.03389	4.9
217.05583	8.5
219.01631	4.6
235.06519	14.8
237.02692	5.4
244.07077	13.6
247.06642	2.6
307.08844	18.8
325.09644	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	325.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70504	0.6
53.03929	2.5
55.01859	2.6
57.03440	3.4
69.03423	16.5
69.50898	4.6
70.44044	0.6
71.01356	0.8
71.04992	5.2
73.02899	1.2
79.05483	1.1
81.03413	20.1
85.02895	4.8
89.03912	1.9
91.05459	3.2
93.06999	1.4
95.08574	0.7
97.02885	1.9
99.04459	7.5
105.07047	0.9
107.04921	1.1
109.02861	2.5
116.05002	0.8
117.03368	3.1
117.05482	1.5
118.06522	6.9
127.03859	1.9
135.04414	7.0
137.05957	1.9
145.02858	4.5
145.04951	1.1
145.07602	7.2
145.10004	0.7
147.09126	7.0
162.07861	2.0
163.03888	34.8
163.07509	2.4
163.08646	1.5
173.07101	11.7
175.08641	5.8
177.05336	0.8
181.04941	1.1
191.08141	100.0
192.08408	0.8
205.09848	0.7
213.10117	0.8
233.09247	1.8
289.11783	1.8
307.08179	2.6
307.12866	29.0
325.10309	0.9
325.13846	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	325.1394
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03956	0.9
55.01859	1.2
55.05504	0.8
56.96558	5.8
57.03432	2.0
59.05013	0.7
61.02907	2.7
65.79308	0.5
67.05469	0.5
69.03423	6.6
69.07691	0.5
70.06607	0.9
71.04979	1.0
71.52440	0.6
71.52909	0.9
73.02915	2.9
74.46730	0.5
79.05469	0.8
81.03426	2.8
83.04893	0.5
84.08102	0.6
85.02898	12.6
87.04459	2.4
91.05497	2.9
97.02879	6.1
98.97574	8.0
99.04441	2.1
105.07019	1.2
107.04933	1.1
109.02866	1.9
110.97552	0.8
116.98611	6.4
118.06521	3.3
119.01876	1.5
119.04933	2.3
121.01673	0.6
121.06488	0.7
123.04433	1.0
127.03913	3.9
128.98596	2.3
130.16713	0.6
131.01880	1.0
132.98087	0.8
133.01657	0.7
133.07607	4.6
134.05995	1.6
134.99660	2.4
135.04405	0.7
136.07550	0.6
137.05962	7.3
140.02257	0.6
143.01875	1.0
145.05077	2.1
145.07596	100.0
146.06032	1.4
146.08322	2.5
146.99670	1.5
147.04356	6.6
148.04808	0.7
149.01160	0.7
149.06010	0.9
152.05698	1.7
152.07037	1.8
153.06520	1.1
155.04564	1.1
158.99643	2.2
161.02963	2.2
162.05461	0.8
163.02802	1.1
163.03893	1.7
163.04980	14.1
163.08653	59.5
164.07076	2.6
165.00792	0.8
167.07002	1.1
173.02931	0.6
177.00685	3.7
177.05591	0.6
179.07013	0.7
187.02669	0.6
189.00763	0.7
193.00148	0.7
193.08394	1.5
195.05148	1.0
200.04890	0.6
201.00728	1.0
203.03993	0.9
203.07585	0.8
207.04053	1.0
208.04987	1.4
215.05750	0.8
216.04655	1.3
217.05469	2.6
219.01791	2.4
221.05002	1.4
223.01167	0.9
225.05400	0.7
226.02054	0.6
229.85187	0.6
231.05211	0.9
235.08322	0.9
237.02751	3.9
244.07863	0.7
257.04959	1.6
261.02982	0.9
263.04767	0.9
267.82944	0.5
273.08151	0.9
275.09805	0.6
306.11014	0.8
308.06332	0.6
309.08423	1.1
325.10468	4.3
325.13901	75.5
326.14343	1.1
342.99777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.5
55.05500	3.2
55.46104	1.0
56.96529	0.9
57.07065	1.2
61.02921	1.2
67.05499	5.7
68.23058	0.9
69.03419	2.7
69.07065	5.8
70.06946	5.0
71.04990	1.4
71.08617	1.0
79.05478	10.8
81.03406	3.7
81.07047	12.1
83.04990	1.5
83.08595	2.7
85.02874	3.1
85.06548	1.7
89.03907	1.7
91.05468	9.0
93.07018	5.9
95.04979	3.1
95.08588	8.1
97.02871	1.1
97.06491	1.2
97.10148	3.5
98.21388	1.2
99.04474	1.3
103.05453	16.6
104.06254	1.8
105.07021	58.0
107.04970	6.0
107.08586	5.5
109.02834	2.6
109.06470	2.8
109.10122	6.2
115.05430	13.4
117.03334	1.9
117.07008	2.0
118.04133	3.8
119.04945	2.4
119.08563	5.4
121.06519	1.3
121.10148	5.0
122.03667	1.7
123.08032	1.3
123.11683	4.2
125.09616	1.7
127.61221	1.0
128.06204	3.4
129.06935	1.7
131.04916	7.4
131.08559	1.5
132.05664	1.4
133.02823	2.3
133.06479	47.8
133.10103	2.5
135.04399	3.6
135.08060	2.5
135.11670	1.3
137.05968	23.4
139.11230	1.5
141.06972	9.8
143.04984	1.9
143.06062	3.4
143.10698	1.3
145.02812	2.4
145.06493	2.8
145.09985	1.0
147.04381	5.7
147.07983	2.0
147.11652	2.2
148.05202	1.6
149.05989	4.3
149.13217	1.7
151.07535	6.8
158.07253	6.7
159.11679	1.2
161.05966	100.0
162.06540	1.6
163.03880	14.5
163.07524	17.0
163.11235	1.5
164.08334	4.3
165.07011	1.4
169.06482	10.6
170.07281	3.0
173.09616	7.6
175.07526	5.3
185.05969	1.9
186.06755	19.9
190.07790	2.4
191.08540	1.7
201.05405	1.3
201.09073	33.9
205.06407	1.3
205.10181	2.2
207.08168	1.7
215.08615	1.2
218.07201	3.6
219.08073	2.0
222.10349	1.2
232.08925	1.1
232.44473	1.1
233.05981	1.4
233.09619	4.9
234.06691	1.5
235.07526	4.6
236.08223	2.1
237.09055	2.2
243.13808	1.2
247.07631	1.8
250.09958	1.6
261.09103	4.5
262.09637	1.4
263.07199	2.0
264.07758	1.2
265.08612	4.3
265.12234	3.7
267.06693	1.2
267.10001	1.5
274.05338	1.1
274.94794	1.2
278.09396	3.2
279.10223	1.7
282.08722	1.4
283.09543	1.9
289.21762	2.1
293.08203	2.5
293.11691	10.7
294.12393	1.7
295.09747	2.7
296.10568	1.8
297.11157	2.4
307.09589	1.7
307.22623	1.5
310.08130	1.3
310.11905	2.4
325.10602	9.6
325.14337	25.3
325.17819	1.9
325.25092	1.2
345.32562	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1431
Annotation	Otobain
Peak:m/z	Relative Intensity
51.02374	0.5
53.03932	0.8
65.03930	1.0
67.05478	0.6
69.03417	0.6
74.03712	0.4
79.05492	3.4
81.07032	1.1
84.53264	0.5
91.05473	31.2
94.04168	0.8
95.04958	2.8
95.08573	0.9
103.05463	2.7
105.03386	0.9
105.07030	6.0
107.04958	1.1
109.06489	0.8
114.46038	0.4
115.05438	1.6
117.07016	1.4
119.04936	25.7
121.06535	0.6
121.68420	0.5
122.03619	2.2
128.06233	3.2
129.06970	1.2
131.04919	2.2
131.08583	1.3
133.06471	4.6
135.04399	62.4
136.05098	0.7
137.05962	33.9
138.06277	0.5
141.06982	2.2
143.04913	0.6
143.08546	11.4
145.06454	1.7
145.10138	0.6
146.07211	0.7
149.05963	100.0
150.06323	2.2
151.07527	38.5
151.66945	0.5
157.06534	0.6
158.07251	1.4
159.08029	1.1
160.08807	1.1
161.05956	7.4
161.09602	0.7
163.07510	8.8
165.09064	2.3
169.06462	2.0
169.09973	0.5
171.08032	9.4
172.08801	3.2
173.05957	2.0
175.07509	1.4
175.11224	0.5
186.06715	5.2
187.11174	1.9
188.08290	10.9
189.08952	0.6
190.09801	0.5
193.04883	0.7
201.09079	12.6
203.10645	32.2
205.10207	0.6
205.63760	0.5
220.08653	0.5
223.07516	0.9
225.09071	0.9
229.19301	0.6
233.09586	1.4
235.07513	1.0
236.08133	0.6
251.07083	1.3
251.10744	0.6
253.08743	0.6
255.10048	0.5
261.09045	0.6
263.10620	0.8
265.12268	1.7
267.06564	1.7
278.09341	0.6
281.08038	1.8
281.11621	0.5
282.08826	1.7
283.09879	0.7
293.11795	2.5
294.12552	1.0
294.16068	0.9
295.09808	1.0
295.13315	0.5
296.10468	1.0
310.11841	1.1
325.14319	27.1
325.17825	2.0
325.26086	1.9
326.14508	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01854	2.5
55.05482	0.5
65.03925	0.6
69.24252	5.0
69.24659	1.3
79.05480	6.2
81.07018	1.2
89.03868	0.8
91.05475	7.5
94.04176	1.2
95.04942	2.4
95.08603	0.9
103.05453	23.9
105.07019	52.4
107.04949	3.6
107.05600	0.6
107.08522	1.0
109.06513	1.6
115.04692	1.0
115.05447	16.3
117.06989	1.4
118.04156	3.9
119.04941	2.2
122.03653	2.3
128.06244	3.2
129.06969	1.4
130.07796	1.1
131.04906	10.2
132.05721	1.4
133.06473	44.4
134.06813	0.9
135.08018	1.3
137.05959	22.7
138.11101	0.8
141.06984	15.5
143.04878	2.4
143.06030	4.0
145.06448	1.7
147.04388	0.9
147.08044	1.3
148.05150	4.3
149.05969	1.8
151.07544	6.3
158.07251	6.0
160.05127	0.9
161.05962	100.0
162.06551	1.8
163.07529	11.5
164.08209	1.2
167.07068	1.0
169.06464	15.8
170.07167	1.7
171.04436	1.4
173.09599	8.4
175.07516	8.4
185.05962	3.6
186.06738	38.2
187.07109	0.9
189.07062	1.4
190.07748	2.8
191.08492	1.1
201.09077	35.8
202.07774	0.8
202.09494	1.3
203.08533	1.3
204.09352	0.6
205.06406	0.9
205.10136	3.5
207.07906	0.8
215.08531	2.3
215.10364	0.6
217.06332	0.8
218.07256	3.9
219.08022	1.5
221.05989	1.1
233.09573	7.1
234.10416	0.7
235.07513	3.0
247.07573	1.1
249.05574	0.7
249.09038	1.7
250.09895	2.9
261.09061	6.2
263.06921	1.4
264.07718	0.8
265.09406	0.8
265.12222	5.9
267.10202	1.8
275.10696	0.8
277.08401	0.8
278.09296	3.0
279.10168	1.7
281.07974	1.9
293.11685	9.1
294.12296	2.1
295.09579	2.0
296.10391	2.3
310.11957	3.4
325.10849	0.9
325.14276	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	325.1428
Annotation	Licarin B
Peak:m/z	Relative Intensity
55.01861	2.2
78.25278	1.0
79.05483	2.1
81.07033	2.6
91.05472	4.3
94.04168	2.3
95.04961	1.1
96.01637	1.0
98.20775	2.0
103.05429	2.3
105.03449	1.1
105.07027	10.0
107.04926	4.6
109.06523	2.5
115.05458	5.0
117.07025	1.8
118.04149	1.7
119.04922	1.3
121.06463	1.5
122.03646	5.0
131.04918	3.3
133.06477	5.6
137.05968	59.9
138.06317	1.5
141.07011	3.5
145.06508	3.9
146.03603	16.8
147.04337	1.9
148.16454	1.0
149.05919	2.9
151.07530	5.7
158.07344	1.5
161.05975	100.0
162.06383	2.1
163.07574	1.7
165.06909	2.4
169.06485	7.8
175.07489	1.3
177.09076	1.3
178.07826	1.4
179.08522	3.7
186.06660	1.5
189.06998	3.7
190.07748	11.4
191.08461	3.4
193.10153	1.5
194.07224	1.6
195.08017	1.8
201.09119	8.5
202.07715	2.0
203.08510	4.8
204.09326	4.0
205.06555	1.9
205.10107	12.6
206.07204	2.3
207.07996	7.8
215.06947	3.1
215.08815	5.2
218.07280	10.9
219.07915	5.5
220.08994	1.1
221.06004	2.5
221.09596	3.4
222.06734	2.1
222.10324	4.7
223.07544	1.3
224.08289	3.1
231.08023	2.7
232.08846	5.9
233.05937	1.5
233.09569	29.6
234.06708	1.9
234.10254	6.6
235.07564	11.0
237.05400	1.5
237.08961	2.3
237.12921	1.8
239.10698	1.1
246.06709	1.4
247.07471	6.1
247.11206	2.3
249.05524	6.6
249.09117	6.4
250.09882	13.1
251.10693	1.5
252.07809	2.1
253.08556	1.7
260.08273	2.5
261.09094	25.5
262.09836	7.5
263.07016	6.6
263.10474	1.3
264.07770	7.6
265.08466	2.2
265.12195	16.4
267.10147	2.7
270.08829	1.3
275.10583	2.1
277.08658	4.6
278.09341	12.5
279.10126	4.5
281.08066	2.0
283.09717	1.4
293.11691	66.8
294.12372	7.5
295.09686	5.3
296.10431	2.6
296.86081	1.4
297.11124	1.3
297.15063	1.3
310.11826	7.8
325.14307	81.1
326.14578	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	325.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
53.29477	0.9
55.01857	2.4
55.05489	2.4
58.38847	0.9
67.05492	1.6
69.03416	1.9
69.07050	2.0
70.90713	2.5
79.05483	7.3
81.03409	1.9
81.07064	4.8
83.05000	1.2
85.02876	0.9
89.03906	0.9
91.05479	7.9
93.07035	2.5
95.04937	2.4
95.08566	2.7
99.89365	0.9
103.05460	19.3
105.07024	55.8
107.04924	4.7
107.08574	2.6
109.02874	0.9
109.06523	1.4
109.10116	1.8
115.05444	14.3
117.06986	1.6
118.04125	5.1
119.04911	2.5
119.08566	1.8
121.10130	1.3
122.03600	1.7
123.04392	1.2
128.06206	2.1
129.06978	1.2
131.04897	9.3
132.05652	1.9
133.06477	49.4
135.04388	3.0
136.05119	0.9
137.05020	1.5
137.05971	19.5
141.05994	1.1
141.06976	10.9
143.04924	1.9
143.05989	3.4
145.06430	2.0
145.10078	1.1
147.04404	2.3
147.08014	1.2
147.11592	1.0
148.05193	1.5
149.05939	3.4
151.07547	5.5
158.07228	5.5
161.05969	100.0
162.06502	1.8
163.03885	6.2
163.07533	13.6
164.08296	5.0
169.06454	13.4
170.07210	2.0
171.04343	0.9
173.09595	8.1
175.07535	5.7
185.05916	3.0
186.05119	1.5
186.06740	25.5
190.07739	2.2
201.09081	42.5
202.09610	1.0
205.06618	1.2
205.10057	2.8
207.07959	2.2
218.07239	3.0
219.07994	2.3
222.06639	1.5
233.09593	5.7
234.06656	1.0
234.10378	1.0
235.07446	2.3
247.07481	1.7
249.09012	0.9
250.09813	2.0
253.08777	1.2
261.09009	3.9
263.06906	1.3
265.08563	2.1
265.12222	4.8
267.10117	1.2
278.09500	1.2
279.10181	2.7
281.07977	2.4
283.09793	1.2
293.08508	1.1
293.11670	9.7
294.08835	0.9
294.12347	2.4
295.09604	2.2
296.10355	1.7
307.26028	0.8
310.11963	3.6
325.10651	4.4
325.14267	30.2
325.18127	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.143
Annotation	Burttinol D
Peak:m/z	Relative Intensity
52.02504	0.6
55.05505	1.3
57.03419	1.1
57.07058	1.1
57.93190	0.6
67.05477	1.4
69.03419	1.8
69.07050	1.1
69.81764	2.3
69.82178	1.3
79.05461	1.9
81.07051	1.5
91.05476	8.8
93.07025	1.8
95.00409	0.6
95.04953	4.9
97.02842	0.9
97.58181	0.7
103.05444	2.0
105.07008	2.3
107.04937	2.9
107.08559	1.4
107.78047	0.6
109.02814	0.8
109.06480	0.9
115.05438	3.2
116.06236	2.3
117.07023	5.1
119.04922	1.6
119.08569	1.6
121.06489	4.5
123.04382	1.3
128.06184	2.8
129.07005	3.7
131.04904	2.2
131.08560	6.2
131.42944	0.7
133.06502	1.4
135.04401	2.2
135.08049	0.8
135.11760	0.6
136.05176	2.6
137.05975	3.1
140.27805	0.6
141.06969	2.3
143.08571	2.4
144.05728	3.2
145.06464	5.3
145.10098	1.3
146.07271	4.3
147.04401	2.0
147.08046	1.6
149.05942	1.4
149.09618	2.1
150.06772	0.9
151.07509	13.6
153.06972	1.8
157.06487	4.6
158.07178	3.0
159.08032	8.9
160.08818	2.2
161.05978	1.9
161.09589	5.0
162.06755	2.7
163.07562	1.9
165.05449	3.2
165.06915	1.6
165.09114	2.6
169.06470	1.7
169.10098	0.8
171.08051	1.8
172.08806	12.3
174.06799	1.2
175.07527	1.9
177.09097	5.2
178.07861	0.9
179.08524	1.8
180.09283	0.7
181.06487	2.5
181.10138	0.7
182.07274	1.2
183.08029	1.5
184.08815	1.9
186.06813	0.8
187.07529	6.4
187.11147	13.0
188.08260	1.2
189.07127	0.6
189.09123	3.0
191.08766	1.2
191.10677	3.0
193.04936	0.9
193.06512	1.0
193.10143	1.3
194.07274	1.0
195.08049	2.8
196.05057	0.7
196.08792	2.5
197.05959	1.1
197.09602	2.1
199.07483	0.9
200.08282	6.3
201.09070	2.7
202.09845	1.2
203.08701	0.9
203.10632	1.3
205.10216	1.0
206.07324	1.3
207.08005	3.3
208.08868	3.5
209.09566	5.5
210.10440	0.9
211.07489	2.2
211.11160	1.3
212.08318	1.6
215.08603	1.2
215.10617	5.8
218.07214	0.7
219.08060	1.8
220.08733	1.2
221.09474	3.5
222.10249	1.8
223.07574	2.1
223.11139	7.0
224.08344	3.9
224.11877	3.2
225.09067	7.8
226.09885	1.6
227.10719	1.4
228.11530	0.9
229.08539	1.8
233.09576	3.8
234.10315	1.6
235.07562	2.8
235.11095	1.2
236.08313	4.3
237.08989	4.2
238.09900	2.1
239.10640	15.1
240.07813	0.8
240.11404	6.2
241.08549	1.3
241.12289	1.0
243.10146	4.7
247.11215	0.8
248.12001	2.0
249.09180	3.8
249.12563	0.9
250.09886	2.9
251.10689	8.8
252.07845	1.0
252.11501	3.9
253.08591	3.9
253.12251	2.5
254.09271	1.2
254.13040	2.9
255.10216	1.4
255.13762	5.3
261.09073	1.7
262.09814	0.9
263.10629	2.4
264.11417	1.5
265.09375	1.0
265.12213	6.6
266.09274	0.7
266.12903	2.4
267.10135	13.0
268.10913	15.8
269.11731	1.3
269.15244	0.9
273.23798	0.8
275.10730	1.0
276.11447	3.1
277.08554	1.8
278.09250	1.4
279.10156	4.3
279.13730	1.8
281.08939	0.7
281.11682	4.4
282.12512	6.9
283.09940	0.8
283.13260	14.4
284.13327	0.6
292.10907	1.5
293.11710	4.0
293.15039	1.2
294.12418	5.5
295.09628	3.4
295.12955	1.3
296.10608	0.8
296.13989	0.9
297.11539	1.1
297.14825	9.1
307.13345	5.9
309.11203	2.7
310.11978	5.1
311.12683	1.2
325.14328	100.0
325.17892	9.5
326.14673	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	325.1795
Annotation	Tylimanthin C
Peak:m/z	Relative Intensity
51.47614	0.6
51.56238	0.7
55.05496	1.4
56.83270	0.7
58.69254	0.8
59.04984	1.1
69.07057	2.4
69.31189	0.8
70.82703	1.6
71.04987	4.0
74.42487	0.7
75.04478	0.9
79.05486	3.1
79.42375	0.7
91.05478	6.9
93.07041	1.2
93.66616	0.7
95.04952	1.5
103.05428	1.0
104.00262	0.7
105.07021	4.0
107.04932	2.8
107.08580	1.0
108.05733	1.7
117.07002	1.5
119.04940	1.2
119.08601	1.8
120.05688	1.3
121.06506	11.9
123.08071	1.1
127.65915	0.7
128.06219	1.3
129.07050	3.9
131.04913	1.7
131.08525	1.0
133.06480	1.8
135.04391	1.9
135.08046	61.6
136.05191	6.3
136.08356	1.3
141.06975	1.5
142.07784	1.0
143.08600	0.7
144.05730	1.0
145.06483	1.9
146.07227	1.2
149.09628	4.4
150.06732	4.8
151.07530	38.1
152.07878	1.0
153.07021	1.3
155.08562	2.3
155.38696	0.9
156.09358	1.9
157.06499	4.5
157.10121	1.1
158.07245	2.3
159.08051	2.6
161.09613	1.4
165.09119	16.0
167.08469	0.7
169.06360	0.8
171.08047	1.3
172.08827	33.3
173.05980	3.1
173.09566	1.4
175.07521	1.8
177.09146	1.8
178.07765	1.0
179.08490	1.3
179.10658	1.9
181.06461	2.5
182.07260	3.8
185.09599	3.5
187.11172	30.0
188.08308	8.7
188.11507	0.9
189.09120	2.0
190.09840	1.0
192.09332	0.9
194.35164	0.7
195.08020	5.8
197.05959	2.5
198.06754	13.1
199.07520	1.1
201.09126	1.5
202.07796	0.9
203.08583	2.2
203.10634	13.3
204.09476	1.5
204.11269	1.3
207.08044	1.1
207.11705	1.7
208.08818	1.1
209.09586	2.0
211.07539	4.2
212.08310	2.2
213.09042	4.9
215.08627	1.5
215.10641	1.3
217.10178	1.4
217.12195	1.6
218.28267	0.7
219.08018	1.4
219.11633	1.7
220.08817	2.3
221.09547	2.2
222.10333	2.1
223.07571	1.6
223.11284	1.2
224.08293	1.3
225.05547	0.9
225.09082	7.8
226.09955	1.1
231.08052	1.8
232.08818	3.6
233.09587	2.0
234.10338	1.4
235.07481	1.1
235.11172	6.2
236.11848	1.4
237.09065	3.0
238.09865	6.1
239.07060	1.7
239.10542	4.1
240.07820	1.8
240.11421	0.8
241.08586	25.5
242.09326	5.2
245.11809	1.0
246.10393	3.3
247.11182	17.7
248.08299	2.5
248.11789	1.7
249.09132	1.8
249.12747	1.0
250.09857	1.5
251.10669	1.7
251.14285	1.1
252.11420	5.6
253.08415	0.9
253.12222	2.6
254.09358	2.5
255.10110	14.8
256.10934	37.3
257.11600	3.7
261.12619	4.7
262.13522	14.3
263.10663	11.0
263.14169	2.6
264.11362	3.9
265.12192	3.5
266.13000	1.0
267.13849	2.2
268.10895	2.9
269.11615	5.6
270.12430	1.2
277.12247	1.0
278.12994	16.2
279.13721	8.3
281.11688	6.7
282.12415	1.2
283.13272	3.7
293.15329	29.3
294.16046	10.5
295.13376	3.9
295.16391	0.9
296.13937	4.3
297.14795	0.9
310.15527	3.1
325.17963	100.0
326.18396	4.0
333.58926	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1795
Annotation	Licarin D
Peak:m/z	Relative Intensity
53.03942	2.2
53.92377	1.0
55.05481	1.6
57.03434	7.1
65.03909	1.1
67.05487	1.8
69.07064	1.6
69.51673	1.1
69.87991	0.9
70.77541	3.2
79.05475	4.3
81.07032	2.6
91.05476	40.9
93.07023	4.4
94.04113	1.2
95.04929	2.7
95.08599	1.7
95.50730	1.0
102.04675	1.5
103.05460	8.0
105.07040	7.9
107.04952	13.5
107.08581	1.4
108.05719	3.5
109.06503	2.5
115.05451	11.6
116.06219	8.2
117.07018	19.4
119.04923	5.2
119.08539	3.8
121.06497	25.8
123.08066	1.2
128.06227	6.7
129.06990	29.2
130.07800	1.6
131.04926	14.7
131.08559	46.4
131.10030	1.8
132.05707	1.5
133.06479	5.3
133.10075	1.3
134.07246	2.5
135.04419	4.7
135.08032	5.6
136.05200	15.0
137.06000	5.1
138.06584	1.1
141.06993	6.1
142.07779	2.3
143.04955	1.2
143.08537	3.2
144.05696	15.8
144.09346	1.9
145.06496	18.3
145.10092	4.9
146.06148	1.9
146.07260	28.4
147.04407	5.1
147.08044	5.6
149.05916	1.6
149.09587	7.1
150.06723	4.7
151.07532	89.4
152.07875	1.8
153.06970	3.3
154.07758	3.1
155.06041	1.8
155.08560	5.3
157.06476	18.6
158.07291	14.2
159.08051	38.1
159.11705	5.5
160.08838	5.7
161.05937	3.2
161.09605	35.7
162.06746	14.6
163.07484	2.0
164.08313	1.7
165.09109	13.4
171.08043	11.1
172.08821	100.0
172.77452	1.0
173.05928	2.1
173.09364	4.1
176.08292	1.7
177.09100	27.8
177.10666	1.5
178.09772	3.9
179.10695	3.7
186.10437	1.2
187.07707	2.2
187.11169	89.3
188.11482	1.7
189.09126	2.3
191.10670	13.1
193.10059	1.2
194.09360	1.5
201.08990	1.2
201.12740	3.5
203.08669	1.5
203.10637	4.4
204.11404	2.1
209.09561	1.9
217.10054	1.4
217.12160	3.0
219.09973	1.4
220.08871	1.3
221.09566	1.9
232.08861	2.3
235.11142	3.0
237.09106	1.1
239.10608	1.7
247.11134	5.1
249.09100	1.4
250.09889	1.1
251.10733	1.3
252.11290	2.9
261.12778	1.9
262.13470	4.4
263.10626	3.1
264.11426	2.3
265.12286	3.0
267.13809	1.1
277.12393	1.1
277.30896	1.1
278.13025	3.5
279.13803	2.4
281.11734	2.9
283.13242	1.6
290.56381	1.3
293.15265	7.0
294.16391	2.1
295.13190	4.0
296.13858	2.3
310.15637	2.7
325.14334	5.3
325.17932	49.8
326.18289	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	325.1794
Annotation	Licarin D
Peak:m/z	Relative Intensity
51.92063	1.4
55.01850	1.7
57.41246	1.9
58.26997	1.5
59.04979	4.7
65.03936	1.9
70.72602	3.4
70.72935	2.2
73.06522	2.0
79.05473	3.0
83.80032	1.4
91.05468	14.0
93.07066	1.6
103.05424	3.5
105.07018	11.9
107.04939	6.6
108.05711	2.3
109.06514	1.7
115.05430	3.5
116.06246	1.9
117.07008	4.5
119.04870	1.8
119.08552	2.2
121.06516	7.6
123.08073	4.1
128.06227	2.1
129.06992	10.8
131.04903	4.8
131.08557	8.1
133.06412	3.0
135.04451	8.3
135.08041	46.9
136.05191	18.0
141.06985	2.5
142.07791	3.2
143.08522	2.3
144.05678	2.8
145.06467	5.4
146.07253	6.1
147.08044	2.7
149.09590	4.9
150.06741	4.6
151.07527	70.7
152.07806	1.6
153.07014	2.6
155.08527	4.8
156.09346	2.6
157.06465	11.7
158.07259	3.3
159.08057	11.7
160.08873	2.2
161.09633	8.8
162.06676	2.5
165.09111	13.6
171.08101	5.0
172.08810	67.8
173.05956	4.6
173.09235	2.5
175.07483	2.0
177.09106	4.5
187.11168	61.5
188.08269	6.5
188.11464	3.3
193.10187	1.9
194.07251	2.4
195.08084	3.0
201.09039	2.9
203.08743	2.5
203.10614	17.3
205.10051	2.7
209.09578	3.6
215.08568	1.9
215.10625	3.5
217.10135	3.3
219.11684	4.4
220.09004	2.9
221.09702	2.4
222.10326	5.0
223.11029	2.2
225.09073	2.9
231.07947	2.6
232.08786	5.8
233.09598	2.9
235.11154	9.7
237.09178	2.6
238.09755	5.1
239.10701	3.8
246.10452	3.2
247.11195	20.0
248.11974	3.9
249.09047	2.9
250.09827	3.0
251.10652	3.6
251.14505	1.9
252.11411	6.2
253.12244	6.8
261.12604	7.6
262.13455	15.8
263.10623	12.6
263.13647	2.1
264.11493	5.3
265.12070	7.6
265.78479	1.8
267.13763	5.4
269.11752	3.2
278.12952	17.9
279.13736	9.2
281.11716	19.2
282.12024	2.0
283.13220	3.4
293.15332	33.4
294.16055	9.7
294.18829	1.7
295.13223	7.5
295.16187	2.0
296.14108	9.6
310.15561	5.2
325.17941	100.0
326.18268	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	325.1795
Annotation	Licarin D
Peak:m/z	Relative Intensity
53.03948	1.0
55.05513	1.4
57.03433	2.7
57.07044	1.2
66.19653	1.0
67.05475	2.0
69.03422	1.1
69.07083	1.1
70.00747	1.9
70.01157	3.3
71.04993	1.0
71.74836	1.0
79.05470	3.5
81.07021	2.3
81.63760	1.0
83.20221	1.0
84.45886	1.0
91.04903	1.3
91.05470	23.2
93.06985	1.6
95.04922	1.3
95.08591	1.6
98.20702	1.1
103.05448	3.7
105.03330	1.1
105.07026	8.2
107.04946	10.3
107.08582	1.1
108.05738	3.0
109.06457	1.4
109.10194	1.0
115.05446	7.7
116.06201	4.5
117.07018	10.9
119.04921	2.0
119.08546	1.2
121.06491	24.0
126.79573	1.0
128.06186	4.5
129.06987	20.9
131.04906	8.6
131.08560	19.9
133.06506	5.6
133.10081	1.9
134.07249	2.5
135.04376	6.1
135.08049	7.9
136.05176	16.5
137.05949	4.0
141.06931	4.2
142.07735	1.4
143.08495	1.6
144.05685	11.8
144.09312	1.4
145.06464	13.3
145.10103	3.5
146.07246	20.9
147.04340	2.0
147.08008	4.9
149.06001	2.1
149.09579	4.3
150.06741	8.5
151.07530	100.0
152.07838	2.1
153.06995	2.6
155.06035	1.9
155.08565	5.4
157.06494	14.2
158.07259	10.1
159.08043	27.9
159.11656	3.9
160.08855	6.9
161.05939	2.6
161.09598	21.6
162.06781	8.4
163.07443	1.1
164.08243	1.2
165.09105	30.4
171.08047	7.1
172.08815	84.8
173.09306	3.3
175.11107	1.3
177.09091	20.8
179.10715	5.6
186.10289	2.2
187.11159	96.0
188.08174	2.1
188.11496	2.0
189.09052	3.3
191.10718	10.7
201.09030	2.4
201.12769	1.9
202.09885	2.0
203.10635	4.1
204.11440	3.4
217.12119	3.2
219.08150	1.6
219.10066	1.8
224.08223	1.3
233.87016	1.1
234.10344	1.4
235.11148	1.2
237.09000	2.3
238.09825	1.2
239.10635	1.3
247.11107	2.7
251.10664	1.5
252.11418	2.6
253.12248	2.1
262.13428	2.6
263.10486	3.0
265.12103	3.2
267.10052	1.2
268.10715	1.9
269.11652	1.7
278.13010	3.5
279.10223	1.3
279.13773	2.2
281.11707	6.7
282.12482	3.0
283.13290	1.3
284.13751	1.2
293.12085	1.8
293.15292	5.7
294.12604	2.3
294.15891	1.5
295.09732	1.4
296.14008	5.8
297.14587	1.8
310.12198	2.3
310.15738	1.6
325.10641	1.9
325.14249	15.7
325.17935	39.9
326.14777	1.9
326.18304	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1793
Annotation	Licarin D
Peak:m/z	Relative Intensity
50.68749	0.5
55.05495	1.1
57.03432	0.9
57.11150	0.5
59.04998	4.1
67.05486	2.1
67.05846	0.5
69.07045	1.3
70.87606	0.6
71.04977	0.7
72.75359	0.5
73.06539	1.3
79.05489	2.8
81.07050	1.3
85.06534	0.7
91.05470	7.5
93.07027	1.4
95.04946	1.0
103.05450	0.9
105.07010	4.8
107.04942	4.0
107.08591	1.2
108.05712	1.4
108.86864	0.5
109.06502	1.6
115.05444	2.7
116.06239	0.9
117.06973	2.8
119.04955	0.8
119.08546	0.9
121.06500	4.4
123.08056	1.6
128.06198	2.1
129.06990	5.1
131.04915	1.6
131.08566	4.2
132.05679	0.9
133.06506	2.8
133.10107	0.7
134.07195	0.6
135.04404	1.9
135.08047	2.5
136.05183	3.7
137.05943	1.8
138.06711	0.5
141.06952	1.2
142.07729	1.4
143.08551	0.8
144.05698	2.4
145.06461	2.6
145.10100	1.4
146.07230	4.3
147.08028	1.4
149.05920	0.7
149.09601	2.1
150.06728	2.9
151.03915	0.9
151.07524	33.9
153.06915	1.6
154.07727	0.9
155.08540	3.8
156.09314	0.8
157.06474	4.2
157.10121	1.3
158.07256	2.4
159.08032	5.8
159.11646	0.7
160.08821	0.9
161.05998	1.2
161.09602	4.2
162.06737	2.1
163.07497	1.2
165.05441	0.7
165.06978	0.7
165.09097	7.3
166.06244	2.1
166.07617	0.6
171.08061	1.2
172.08804	16.0
173.09583	0.9
174.06717	1.3
175.07538	1.3
177.09100	4.8
178.07701	0.8
179.08522	1.2
179.10608	0.7
181.08588	6.5
181.10077	1.1
185.09589	0.6
187.07587	0.6
187.11160	22.0
188.08344	1.0
189.05447	3.5
189.06955	0.7
189.09085	3.7
191.08606	1.2
191.10686	2.2
192.09331	1.2
193.10147	1.0
194.07236	0.9
195.08090	1.7
196.08682	0.7
201.09079	2.2
202.07869	1.1
202.09680	0.7
203.08549	2.6
203.10619	1.9
204.07758	8.9
204.09387	1.3
205.08482	1.0
205.10202	1.1
207.08101	1.6
207.11708	1.3
208.08759	1.4
208.74812	0.6
209.09601	2.2
210.10219	0.6
211.07611	0.8
213.09084	1.3
215.08589	2.0
215.10686	2.9
216.09398	1.6
217.10114	1.7
217.12227	1.3
218.07353	1.0
218.10896	1.2
219.08026	1.4
219.10036	15.5
220.08679	2.5
221.09547	3.4
222.10370	2.1
223.07552	1.2
223.11099	1.2
224.08176	0.9
225.09077	2.1
226.09821	0.8
229.12251	0.9
231.08012	2.4
231.11855	1.0
232.08911	3.0
233.09695	3.0
234.10326	2.5
235.07401	0.7
235.11113	5.5
236.11945	2.2
237.09052	1.8
237.12866	0.6
238.09798	2.2
239.10687	2.6
240.11307	0.8
244.10973	0.9
245.09584	1.3
245.11789	1.4
246.10364	3.2
247.11153	15.2
248.08269	1.7
248.11900	1.7
249.09117	2.1
249.12669	1.6
250.09744	1.1
251.10591	1.4
251.14365	1.0
252.11412	2.7
253.08636	0.8
253.12198	4.3
255.10100	1.3
261.12698	4.0
262.13470	15.1
263.10641	9.4
263.14142	1.9
264.11407	3.6
265.08511	0.6
265.12201	3.9
267.10150	0.7
267.13806	3.0
268.11005	1.5
269.11755	3.1
270.12466	1.0
277.12262	2.2
278.12976	10.8
279.13757	6.7
280.10999	0.7
280.14227	0.7
281.11725	4.2
282.12411	1.4
283.13300	2.3
286.83624	0.7
293.15320	19.6
294.16034	4.9
295.13345	4.8
296.14084	3.7
297.14722	0.9
310.15549	4.5
325.17938	100.0
326.18347	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	325.1796
Annotation	Licarin D
Peak:m/z	Relative Intensity
52.44715	0.5
59.04761	0.6
59.04998	7.4
64.90289	0.5
65.03950	0.9
67.05475	1.0
69.77354	1.3
69.77763	2.1
71.04967	2.0
73.06538	1.2
75.04444	0.8
79.05467	2.4
80.31608	0.6
81.07034	1.1
85.06544	0.9
91.05475	6.2
91.49336	0.5
91.81921	0.5
93.07030	1.7
95.04933	2.0
95.08639	0.5
103.05466	3.1
105.07018	3.9
107.04955	5.6
107.08649	0.6
108.05688	1.5
109.06496	2.3
109.10114	0.6
111.75697	0.5
115.05432	3.9
116.06122	0.6
117.06996	1.7
119.04930	1.5
119.08541	1.2
121.06487	2.2
123.04356	0.6
123.08048	1.5
124.26907	0.5
128.06186	2.1
129.07007	5.8
131.04913	2.0
131.08572	1.6
132.05663	0.9
133.06415	1.5
135.04387	6.1
135.08014	2.2
136.05205	2.7
137.05974	2.1
138.06752	0.8
141.06946	1.9
142.07700	2.6
143.04869	0.6
143.08513	2.5
144.05641	1.8
145.06454	2.5
145.10120	0.8
146.07239	2.1
147.07973	0.7
149.05946	2.6
149.09598	1.4
150.06744	2.5
151.03929	0.8
151.07530	39.7
153.06943	2.2
154.07748	0.8
155.08556	6.9
156.09302	0.8
157.06464	3.3
157.10086	1.9
158.07230	2.1
159.08092	3.4
160.05226	0.6
161.05945	4.0
161.09554	0.7
162.06783	0.6
163.07506	2.9
165.05453	1.3
165.06935	1.1
165.09117	6.4
166.06351	2.6
166.07535	0.7
169.06462	1.0
171.08015	2.7
172.08806	9.6
173.09462	0.8
174.06721	2.0
175.07553	2.1
177.09077	1.6
178.07690	0.6
179.08508	2.0
179.10713	0.5
181.06412	1.0
181.08597	8.0
181.10039	0.7
183.08112	0.9
184.08780	0.7
186.06714	0.7
187.07545	1.2
187.11157	27.1
188.08357	3.3
188.11430	0.6
189.09070	4.7
191.08502	1.3
191.97359	0.5
192.09320	1.0
193.10033	1.2
194.07225	0.7
195.08043	2.4
196.08839	0.8
197.09599	0.9
200.08243	0.9
201.09055	2.3
202.07739	2.3
203.08517	3.2
203.10654	4.4
204.07622	0.8
204.09283	2.1
205.10161	1.0
206.07124	0.7
207.08063	2.9
207.11626	0.7
208.08754	2.7
209.09586	2.1
209.11455	0.5
211.07536	0.8
215.08566	2.5
215.10620	4.3
216.09346	1.5
217.10046	2.1
218.07141	1.0
218.10837	1.0
219.08008	2.5
219.09918	1.0
219.11700	2.4
220.08806	3.8
221.09628	3.9
222.10443	2.8
223.07466	1.5
223.11125	2.1
224.08298	1.3
224.11732	0.8
225.09053	2.3
229.10103	0.8
231.07983	2.2
231.11742	1.2
232.08813	4.1
233.09637	5.7
234.10324	2.3
235.07506	1.3
235.11116	6.1
236.11848	2.5
237.09157	2.7
238.09773	3.4
239.10619	4.2
240.11267	1.1
241.12102	0.7
245.09479	1.2
245.11694	1.1
246.10454	2.8
247.11153	16.9
248.08324	1.8
248.11804	3.0
249.09077	4.3
249.12613	2.3
250.09792	1.8
250.12694	0.5
251.10583	3.1
251.14336	0.9
252.11436	3.1
253.08678	0.6
253.12163	4.3
255.10065	1.3
261.12802	4.7
262.10345	0.8
262.13501	14.8
263.10614	11.7
263.13931	2.1
264.11514	4.1
265.08374	0.7
265.12262	3.6
266.09409	0.7
266.12836	0.7
267.10065	2.2
267.13538	2.6
268.10800	1.6
269.11664	1.3
277.12073	1.7
278.09888	0.6
278.12958	10.3
279.10129	2.7
279.13696	6.8
280.14365	1.3
281.11633	4.3
283.13232	1.9
293.11758	2.0
293.15298	14.4
294.12360	2.6
294.16046	3.5
295.09909	1.1
295.13187	5.2
295.16397	1.1
296.10596	0.7
296.13867	3.4
297.14743	1.9
309.11160	0.6
310.12000	1.7
310.15576	2.7
311.12616	2.5
325.14264	17.1
325.17899	100.0
326.14679	2.0
326.18259	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	325.1796
Annotation	Licarin D
Peak:m/z	Relative Intensity
52.76306	0.7
52.98626	0.8
55.01862	1.1
55.05479	1.3
59.04992	3.0
67.05499	1.6
69.07042	1.0
71.04972	1.1
79.05468	3.4
81.07056	1.2
91.05470	9.0
93.07042	1.4
95.04942	2.7
95.08608	1.2
103.05449	2.6
105.07015	6.8
106.04170	0.8
107.04960	7.7
108.05719	3.8
109.06499	1.5
115.05431	2.5
117.06971	1.9
119.04897	1.0
119.08552	1.7
119.24088	0.9
121.06526	4.6
123.08060	2.2
126.74369	0.9
128.06198	1.9
129.06982	10.9
131.04883	2.6
131.08543	4.3
132.05675	1.0
133.06465	3.2
134.07251	1.8
135.04416	4.4
135.07997	4.6
136.05215	8.1
137.05962	2.5
137.21019	0.9
141.06987	1.7
142.07817	2.7
143.08563	1.8
144.05711	2.0
144.09322	1.5
145.06451	3.7
145.10150	1.1
146.07231	4.9
147.08032	6.5
149.09641	1.2
150.06767	6.0
151.07533	70.1
152.07880	1.7
153.06929	2.0
155.08556	7.9
156.09384	1.5
157.06497	4.8
157.10143	1.4
158.07283	3.1
159.08038	6.9
161.05923	1.0
161.09602	3.8
163.07564	1.7
165.05463	1.4
165.09109	27.8
166.06282	1.2
171.08002	1.8
172.08817	25.1
173.06058	0.9
173.09573	1.6
174.06679	1.4
177.09097	4.0
179.08575	1.0
181.08542	3.5
187.11172	38.9
188.08401	1.1
189.09111	3.0
191.08611	2.4
195.08038	2.1
195.10008	1.2
201.09108	1.8
202.07770	1.8
203.08582	2.2
203.10648	2.5
204.09366	1.4
206.07176	1.3
207.08043	1.4
208.08757	1.9
209.09595	2.3
215.10501	1.8
216.09291	1.3
217.10062	3.2
217.12038	1.3
219.08090	2.2
219.11658	2.6
220.08853	3.0
221.09517	3.4
222.10367	2.8
223.07539	1.2
223.11261	1.8
225.09113	1.9
227.10869	1.2
229.10316	1.1
231.08044	1.6
231.11670	2.3
232.08823	3.8
233.09557	3.0
235.11226	6.0
236.11971	2.9
237.09093	2.8
238.09869	3.1
239.10559	2.1
246.10422	2.8
247.11191	14.7
248.08249	2.2
248.11789	2.7
249.09084	3.6
249.12639	2.6
250.09805	1.5
251.10620	2.9
251.14240	1.5
252.11505	4.5
253.12201	3.7
255.10182	1.6
261.12784	5.8
262.13522	15.3
263.10672	11.4
263.14041	1.6
264.11432	2.9
265.12253	3.2
265.57523	1.0
267.10004	1.2
267.13745	4.6
268.11008	1.5
269.11627	1.9
277.12149	1.5
278.12943	10.7
279.10794	1.3
279.13742	7.1
280.10989	1.1
280.14389	1.0
281.11627	5.5
283.13269	3.4
293.12000	2.0
293.15286	19.7
294.12714	1.1
294.15900	5.1
295.13312	7.9
296.13953	3.3
309.14743	1.7
310.15482	4.2
325.14575	5.0
325.17947	100.0
326.18381	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	325.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35375	1.6
55.05496	1.8
57.03424	6.3
59.05013	2.4
60.71148	1.9
67.05482	2.8
69.07056	2.3
71.52763	2.2
79.05482	5.1
79.69030	1.6
81.07069	2.8
91.05479	31.3
93.07039	3.9
94.04735	2.3
95.04961	2.0
95.08585	3.0
103.05438	4.0
105.07024	8.8
107.04965	10.9
108.05712	1.9
115.05429	11.5
116.06219	8.1
117.06986	15.2
119.04947	2.5
119.08594	2.2
121.06486	25.7
128.06229	4.5
129.06978	22.5
131.04919	10.0
131.08543	35.7
133.06488	5.2
133.10101	2.0
134.07190	2.1
135.04430	3.9
135.08092	2.6
136.05197	15.3
137.05965	4.1
141.06975	6.0
144.05675	14.5
144.09306	2.0
145.06473	14.2
145.10117	3.7
146.07257	23.9
147.08020	4.4
149.05960	3.2
149.09633	6.0
150.06758	4.5
151.07533	69.2
154.07774	3.6
155.08517	3.0
157.06476	16.1
158.07301	12.9
159.08044	32.8
159.09239	3.0
159.11713	5.6
160.08829	6.4
161.05994	4.8
161.09595	35.3
162.06731	12.4
165.09093	18.6
171.01329	3.8
171.08041	8.7
172.08818	100.0
173.09331	2.7
177.09088	28.7
179.10664	3.1
187.11169	88.8
188.08325	2.5
188.11472	2.2
191.10672	12.0
195.08017	2.2
201.09160	3.5
201.12791	2.8
203.10654	4.6
204.11397	2.6
209.05905	2.5
211.07375	2.5
217.12112	3.8
221.09703	2.1
237.09100	3.0
247.11229	2.7
252.11739	2.0
255.10194	2.9
263.10544	2.6
265.12244	4.3
267.10049	2.2
268.08304	1.8
278.13095	3.8
279.10025	2.8
293.15314	5.1
294.12622	3.3
295.13403	3.5
296.02057	2.0
310.11978	2.1
310.15356	2.5
325.14240	11.9
325.17963	41.3
325.21634	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	325.1796
Annotation	Licarin D
Peak:m/z	Relative Intensity
53.03945	2.0
55.05497	3.4
57.03445	8.3
57.07063	2.0
61.44955	1.5
63.42679	1.4
65.03907	1.7
67.05500	3.3
69.07040	1.5
69.49956	9.0
69.50365	3.4
76.25039	1.7
79.05495	4.7
79.41251	1.6
81.07041	2.4
83.08654	1.7
86.22551	1.6
88.82089	1.6
91.05472	33.9
93.07056	4.8
95.04960	3.1
95.08606	2.4
99.12641	1.7
103.05467	4.8
105.07014	12.2
107.04920	10.5
108.05727	2.8
109.06485	2.6
109.10180	1.8
115.05459	8.5
116.06227	6.1
117.07009	15.0
119.04965	1.9
119.08574	3.3
121.06493	26.4
121.10146	1.8
128.06201	4.7
129.06987	23.3
131.04881	10.4
131.08557	39.8
133.06483	6.1
135.04422	4.5
135.08043	4.3
136.05199	15.6
137.05930	6.2
141.06975	8.1
143.04887	2.0
143.08566	2.1
144.05681	9.6
144.09312	2.3
145.06430	15.3
145.10115	4.1
146.07268	23.3
147.08023	5.3
149.05962	3.3
149.09596	8.1
150.06783	4.1
151.07529	71.9
152.08002	1.7
153.07080	3.6
154.07811	2.6
155.08510	3.1
157.06448	18.2
158.07268	12.1
159.08049	45.2
159.11673	5.7
160.08830	6.7
161.05940	5.2
161.09604	36.3
162.06741	14.4
165.09113	13.7
169.10150	2.6
171.08058	7.4
172.08812	96.2
173.09358	2.5
177.09091	27.8
179.10686	2.6
187.11157	100.0
188.08281	2.3
191.10643	11.0
191.18343	1.8
193.04999	2.9
201.09026	2.0
201.12668	2.5
203.10699	3.5
204.11354	2.4
207.07951	2.2
208.08693	2.2
209.09613	2.2
215.10674	2.3
217.12331	2.5
226.06325	1.6
233.09581	2.8
235.07579	3.7
235.11156	2.6
238.09857	3.3
239.07063	2.0
247.11224	3.0
249.09200	2.6
250.09819	3.8
250.43312	1.8
251.10721	2.9
252.11418	3.5
255.10199	3.9
261.12772	2.6
263.10699	2.5
264.11316	2.3
265.12277	10.7
265.15945	1.7
267.10129	3.6
268.10928	3.2
269.11600	2.1
278.13095	5.5
279.10712	2.6
279.13818	7.2
281.11655	6.6
282.12329	2.1
283.13293	6.0
293.11896	2.0
293.15277	4.6
294.16095	17.2
295.09970	2.1
295.13284	3.8
296.14053	1.9
297.14664	2.7
310.15576	4.3
311.12842	3.2
325.14258	13.1
325.17963	50.0
325.25989	8.1
325.76584	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01863	2.2
55.05265	1.9
55.05504	24.3
56.96557	1.2
57.03433	1.5
57.07076	8.0
65.03917	2.7
65.30373	1.0
65.35881	1.1
67.05496	20.7
68.13306	1.0
69.03407	5.3
69.07059	42.4
71.04971	3.8
71.08624	3.1
79.05482	11.6
81.03389	4.0
81.07047	66.9
82.07376	1.6
83.04987	2.4
83.08611	18.8
85.02896	2.7
85.06537	11.2
85.10207	1.3
91.05474	7.3
93.07037	19.5
94.04144	2.1
95.04945	4.1
95.08598	59.7
97.02874	1.7
97.06496	6.6
97.10165	20.0
99.04406	1.9
99.08097	7.6
103.05503	1.4
105.07008	9.4
107.04919	1.5
107.08578	19.9
108.08890	1.2
109.02838	2.6
109.06492	3.9
109.10146	32.8
111.04485	1.3
111.08079	7.2
111.11704	8.2
113.09639	1.7
115.05442	2.6
117.03368	1.5
117.06983	2.9
119.04896	2.0
119.08545	5.6
121.06540	1.5
121.10130	12.6
122.03630	6.7
123.04373	1.7
123.08028	1.7
123.11686	21.6
125.09589	3.0
129.06989	1.4
131.04878	4.0
131.08556	2.9
133.02872	2.5
133.06438	2.8
133.10091	6.1
135.04402	5.1
135.08003	2.7
135.11658	8.9
137.05960	100.0
137.13264	6.5
138.06276	2.7
139.11154	8.7
141.07024	2.5
143.08559	1.9
143.10626	1.8
145.06522	1.4
145.10115	2.4
146.03523	1.4
147.04353	2.8
147.11658	5.4
149.05962	2.2
149.13266	6.5
150.06761	1.2
151.03850	1.8
151.07507	4.5
151.11191	2.5
151.14795	8.3
153.12674	1.9
157.12195	3.5
159.08014	1.8
159.11665	2.7
161.05946	7.1
161.13226	4.3
163.03845	10.2
163.07565	5.7
163.11131	2.6
163.14787	3.6
164.37634	1.3
165.05679	1.2
165.07014	3.5
165.12708	1.7
165.16371	1.3
168.50903	1.4
173.09570	1.3
173.13330	1.7
175.07549	1.9
175.14760	1.6
177.06909	1.4
177.16324	2.4
179.14255	1.7
181.12187	1.3
186.06705	2.4
187.07449	2.4
189.16399	2.4
190.07755	2.5
191.08426	1.9
191.14195	1.3
191.18001	2.1
194.07214	3.6
195.07967	1.6
201.05418	3.3
201.09082	3.0
201.16289	1.8
205.06520	7.9
205.10104	3.9
207.07986	2.8
211.07631	1.6
215.17972	2.0
218.07272	3.4
219.08075	2.9
221.05943	3.3
222.06769	4.0
223.07349	1.9
224.08206	1.8
229.35919	1.5
232.08983	1.4
233.05981	5.8
233.09517	8.7
233.18994	1.6
234.06497	2.7
235.07457	5.1
236.08228	1.3
237.09045	7.5
237.18335	1.8
239.07069	1.8
247.07564	3.8
249.05481	2.6
249.09032	1.3
250.06224	7.7
250.09833	3.6
251.06932	2.4
253.08427	1.9
254.09204	1.6
261.09076	4.8
261.25677	1.2
263.06903	2.9
264.07703	5.0
265.08542	11.7
265.12247	5.9
266.08884	1.1
266.12515	1.4
267.06467	1.8
267.10025	2.4
268.07358	1.7
270.08725	1.5
271.24219	2.9
274.35532	1.2
278.05820	2.3
278.09378	4.3
279.06628	1.5
279.10022	2.9
279.26840	4.0
281.07944	2.6
282.08875	2.9
283.09601	3.7
289.25214	3.3
292.07217	1.6
292.16125	4.1
293.08005	8.2
293.11652	14.1
294.08704	1.9
294.12283	4.4
295.09537	3.2
297.11209	6.6
301.16495	2.6
307.09592	3.9
307.26233	15.5
310.08517	2.8
310.11905	4.4
311.12616	2.0
325.10571	26.3
325.14285	43.1
325.17963	4.1
325.27405	13.5
326.11011	3.9
326.14670	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	327.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	6.7
56.96550	10.7
57.03418	9.8
61.02904	20.2
69.03429	26.7
70.06564	7.4
71.52370	9.3
73.02903	7.6
81.03389	8.9
85.02899	40.3
87.04414	4.5
93.56017	4.2
97.02859	20.4
98.97554	20.9
98.98461	100.0
99.04423	5.9
101.00846	4.3
105.35970	4.4
107.04939	9.0
109.02872	8.2
110.97541	5.7
116.98602	8.0
119.01873	14.4
120.08086	8.2
127.03925	35.0
131.01875	4.9
134.99683	6.9
137.05956	20.2
143.01831	5.6
145.04929	6.1
147.04399	13.7
161.02931	10.0
164.07039	6.1
167.06996	7.7
173.02916	8.4
174.99292	6.8
185.02934	20.8
201.00606	7.0
208.04674	5.4
219.01762	5.5
237.06226	5.5
245.05069	7.4
272.05402	5.9
295.05087	4.5
311.06033	6.6
327.04666	93.2
328.05011	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	327.1073
Annotation	trans-beta-D-Glucosyl-2-hydroxycinnamate
Peak:m/z	Relative Intensity
50.50360	0.4
53.03945	3.6
55.01874	1.1
55.05505	1.0
57.03431	1.4
61.02948	0.4
65.03931	0.9
66.04724	1.5
67.05502	1.5
69.03429	5.2
69.07069	0.6
71.04990	1.0
71.52213	0.5
71.52603	0.5
77.03931	0.7
77.22301	0.4
79.05489	5.4
81.03416	15.6
81.07043	1.8
85.02898	4.7
91.05467	2.1
93.07030	1.2
94.04166	3.4
95.04951	2.9
95.08595	1.1
96.05760	0.8
97.02898	1.9
97.10236	0.5
98.98460	54.4
99.04443	1.8
103.05470	2.2
105.03398	0.6
105.04481	1.0
105.07034	2.0
107.04945	1.4
107.08617	0.6
107.73383	0.4
108.05724	1.3
109.02878	7.8
109.06501	3.5
109.10164	1.7
116.99485	2.7
117.07024	1.0
119.04921	0.9
119.08591	1.0
121.02903	1.1
121.06499	0.7
121.10169	0.6
122.03648	4.1
123.08050	0.9
124.05201	5.5
126.03144	0.8
127.03872	2.1
128.06230	0.5
131.04910	2.8
133.06468	3.5
133.10118	0.5
135.04387	0.5
135.08034	1.1
137.05971	12.1
137.09583	1.3
137.13254	0.5
139.07526	10.9
145.06516	0.6
147.04367	0.6
147.08073	0.9
149.05957	0.4
151.03836	0.5
151.07524	3.0
155.07018	5.7
161.05919	0.5
163.07542	4.8
165.05463	100.0
165.09143	1.7
166.05811	1.8
171.07932	0.4
174.99211	7.3
175.07562	0.9
177.09135	0.9
179.08521	0.6
181.06424	0.5
183.06499	6.7
188.08377	0.7
189.09041	1.0
203.10663	1.4
205.06522	0.5
207.08086	0.7
221.05875	0.5
223.07466	0.6
224.08302	0.8
233.05984	0.5
234.06712	0.8
235.07426	1.1
249.09050	0.8
251.00034	0.5
252.07762	0.8
253.04822	0.5
253.08635	0.5
265.08789	0.4
266.09225	0.6
267.10291	0.9
270.04980	0.6
272.06403	0.4
277.08548	1.2
281.08054	0.7
283.09586	0.6
287.05231	0.6
295.09641	2.4
295.12997	0.9
298.04874	0.9
299.12762	1.6
309.09622	10.5
327.04865	4.5
327.08621	0.6
327.12134	5.0
327.15808	1.3
328.08273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01851	1.5
55.05503	1.2
57.03430	1.2
65.03915	0.7
66.04697	1.1
67.05141	0.4
67.05494	3.1
68.85992	0.4
68.99767	0.5
69.03423	7.9
69.07044	1.8
71.01307	0.4
71.04976	1.3
71.52706	0.4
71.53101	0.5
73.02892	0.5
77.01579	0.5
77.03899	0.8
79.05485	6.0
80.34241	0.4
81.03411	16.9
81.07049	4.8
83.04979	0.8
83.08578	0.5
85.02888	6.4
85.06518	1.1
91.05489	2.9
92.10045	0.4
93.07005	2.0
94.04182	3.2
95.04967	3.2
95.08591	2.8
96.05734	0.7
97.02862	2.0
97.06541	0.4
98.98454	55.6
99.04454	2.2
99.08100	0.4
103.05433	1.6
105.03374	0.6
105.07003	1.4
107.04936	2.0
107.08568	1.6
108.05692	1.3
109.02869	7.8
109.06500	4.1
109.10133	3.3
111.74576	0.5
115.05433	0.6
116.99477	1.6
117.07014	1.2
119.08564	1.5
121.02866	0.8
121.06464	1.3
121.10108	1.2
122.03656	3.3
123.04401	0.7
123.08025	1.6
124.05203	4.6
125.05975	0.8
127.03906	1.7
129.06895	0.5
131.04916	1.8
131.19661	0.4
133.06429	0.6
135.04414	0.5
135.08032	0.6
135.11650	0.6
137.05959	5.6
137.09622	2.1
139.07527	12.1
143.07040	0.5
145.10056	0.7
147.04355	0.7
147.08014	1.4
149.09653	0.7
151.03888	1.5
151.07549	0.8
155.06996	6.1
157.10162	0.5
161.06018	0.6
163.03908	0.8
163.07481	1.3
165.05457	100.0
165.09058	2.4
166.05798	1.7
174.99217	6.8
175.03909	1.3
175.07579	0.8
177.05521	0.8
177.07083	0.5
177.09052	2.1
179.08577	0.6
183.06532	6.8
183.10089	0.9
189.06943	0.6
195.08115	0.5
197.05846	0.6
199.14848	0.5
203.06979	0.5
206.07198	0.8
207.08028	1.5
221.05901	0.6
222.06728	0.5
223.07484	0.5
224.08281	1.1
234.06728	1.1
235.07568	1.4
239.07137	0.5
239.10585	0.6
249.09096	1.2
251.00020	1.0
251.07045	0.6
252.07835	1.1
253.08582	1.5
263.06784	0.5
265.08450	1.0
266.09363	0.6
267.10132	1.3
268.07239	0.6
277.08585	1.9
281.08020	0.7
281.11411	0.4
283.09573	0.7
284.10370	0.8
295.09628	1.9
299.12601	0.9
309.09564	10.8
323.16699	0.6
327.04901	1.9
327.08347	0.9
327.12143	7.2
327.15805	1.3
332.02243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1071
Annotation	trans-beta-D-Glucosyl-2-hydroxycinnamate
Peak:m/z	Relative Intensity
53.03941	3.5
55.01851	1.5
55.05503	1.2
57.03430	1.2
65.03915	0.7
66.04697	1.1
67.05141	0.4
67.05494	3.1
68.85992	0.4
68.99767	0.5
69.03423	7.9
69.07044	1.8
71.01307	0.4
71.04976	1.3
71.52706	0.4
71.53101	0.5
73.02892	0.5
77.01579	0.5
77.03899	0.8
79.05485	6.0
80.34241	0.4
81.03411	16.9
81.07049	4.8
83.04979	0.8
83.08578	0.5
85.02888	6.4
85.06518	1.1
91.05489	2.9
92.10045	0.4
93.07005	2.0
94.04182	3.2
95.04967	3.2
95.08591	2.8
96.05734	0.7
97.02862	2.0
97.06541	0.4
98.98454	55.6
99.04454	2.2
99.08100	0.4
103.05433	1.6
105.03374	0.6
105.07003	1.4
107.04936	2.0
107.08568	1.6
108.05692	1.3
109.02869	7.8
109.06500	4.1
109.10133	3.3
111.74576	0.5
115.05433	0.6
116.99477	1.6
117.07014	1.2
119.08564	1.5
121.02866	0.8
121.06464	1.3
121.10108	1.2
122.03656	3.3
123.04401	0.7
123.08025	1.6
124.05203	4.6
125.05975	0.8
127.03906	1.7
129.06895	0.5
131.04916	1.8
131.19661	0.4
133.06429	0.6
135.04414	0.5
135.08032	0.6
135.11650	0.6
137.05959	5.6
137.09622	2.1
139.07527	12.1
143.07040	0.5
145.10056	0.7
147.04355	0.7
147.08014	1.4
149.09653	0.7
151.03888	1.5
151.07549	0.8
155.06996	6.1
157.10162	0.5
161.06018	0.6
163.03908	0.8
163.07481	1.3
165.05457	100.0
165.09058	2.4
166.05798	1.7
174.99217	6.8
175.03909	1.3
175.07579	0.8
177.05521	0.8
177.07083	0.5
177.09052	2.1
179.08577	0.6
183.06532	6.8
183.10089	0.9
189.06943	0.6
195.08115	0.5
197.05846	0.6
199.14848	0.5
203.06979	0.5
206.07198	0.8
207.08028	1.5
221.05901	0.6
222.06728	0.5
223.07484	0.5
224.08281	1.1
234.06728	1.1
235.07568	1.4
239.07137	0.5
239.10585	0.6
249.09096	1.2
251.00020	1.0
251.07045	0.6
252.07835	1.1
253.08582	1.5
263.06784	0.5
265.08450	1.0
266.09363	0.6
267.10132	1.3
268.07239	0.6
277.08585	1.9
281.08020	0.7
281.11411	0.4
283.09573	0.7
284.10370	0.8
295.09628	1.9
299.12601	0.9
309.09564	10.8
323.16699	0.6
327.04901	1.9
327.08347	0.9
327.12143	7.2
327.15805	1.3
332.02243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1224
Annotation	Eucalyptin
Peak:m/z	Relative Intensity
53.03936	2.5
55.01867	1.8
55.05491	2.4
57.03422	1.7
57.24976	0.6
65.03936	3.2
67.05489	2.8
68.02628	0.9
69.03423	5.4
69.07056	3.4
71.04978	0.8
71.52464	0.9
77.03929	0.8
79.01870	0.8
79.05489	6.6
81.03407	7.5
81.07047	4.6
83.04972	1.3
83.08595	1.1
85.02904	4.6
91.05480	5.2
93.03404	1.8
93.07053	2.2
94.04182	2.1
95.04964	3.4
95.08591	3.5
96.02113	2.2
97.02885	1.4
97.06512	1.0
98.98462	100.0
103.05462	4.6
105.06974	3.4
107.04927	5.7
107.08597	1.7
109.02879	4.5
109.06520	2.4
109.10152	4.3
109.35183	0.7
111.04441	12.7
111.08089	0.8
113.39169	0.7
115.05444	2.1
116.99509	4.5
117.07014	2.1
119.04929	1.1
119.08575	2.2
121.02853	9.8
121.06518	3.3
121.10159	1.4
122.03664	4.0
123.04423	2.1
123.08060	1.7
123.11716	1.4
124.05238	3.8
127.03902	1.6
128.06212	1.2
129.06984	1.8
131.04947	5.7
131.08614	0.8
133.02841	0.9
133.06488	6.0
135.04422	2.1
135.08034	2.2
137.05969	31.4
137.09613	1.6
139.03920	6.0
139.07535	8.3
140.01028	0.8
141.06956	1.4
142.92183	0.8
143.04919	2.2
143.59367	0.8
144.05704	2.1
145.06473	3.2
146.07304	1.1
147.04387	1.4
147.08051	2.4
149.02278	1.0
149.05983	2.0
151.03900	3.1
151.07565	3.3
152.06187	2.8
153.05511	1.2
153.06999	2.0
154.07843	1.2
155.07027	4.1
155.08476	0.8
157.06529	1.3
157.10057	0.8
159.08038	3.2
160.05142	1.4
160.08833	1.9
161.05981	2.7
161.09599	1.3
162.06682	1.2
163.03851	1.5
163.07521	7.4
165.05476	67.0
165.06894	5.9
165.09108	1.9
166.07787	1.4
167.03419	2.3
167.08595	2.4
168.05733	1.5
169.06493	2.2
171.07986	1.2
173.05998	1.2
174.06749	0.9
174.99220	12.6
175.03925	2.0
175.07480	4.3
177.05550	0.8
177.07030	1.3
177.09235	0.9
178.07745	5.0
179.07053	3.2
179.08551	4.9
181.06462	5.5
182.07281	4.4
183.06526	3.8
183.08083	2.2
185.05957	1.0
185.09558	1.6
185.57245	0.8
187.07504	2.9
188.04671	0.9
188.08345	4.2
189.07025	2.5
189.09091	2.3
193.06497	1.1
194.07268	2.3
195.08041	6.8
196.05109	0.9
196.08817	1.7
197.05959	4.3
197.09647	1.5
198.06676	2.0
199.07553	0.9
202.07738	1.7
203.06958	1.1
203.08720	0.9
203.10628	1.0
205.06441	1.3
206.07202	3.7
207.08017	8.2
208.08815	2.2
209.06026	3.5
209.09598	1.3
210.06773	7.2
211.07533	5.4
211.11031	1.7
212.08441	1.9
213.09096	2.2
218.07387	1.0
219.08052	1.3
220.08900	1.1
221.05972	2.1
221.09656	3.8
222.06808	2.2
222.10478	1.4
223.07515	7.8
224.08272	4.6
225.05490	2.7
225.09039	6.2
226.06300	1.9
227.07027	1.4
227.10709	1.6
228.99661	0.9
234.06773	4.4
235.07529	6.3
235.11234	1.0
236.08240	0.9
237.05403	1.9
237.09123	4.7
238.06200	4.1
238.09819	7.4
239.07063	6.2
239.10643	6.7
240.07771	14.2
241.08604	4.8
243.06523	4.4
248.08342	0.8
249.09186	7.5
250.06224	0.9
251.00166	1.2
251.07074	3.3
251.10439	0.8
252.07899	5.0
253.08583	27.1
253.12236	6.7
254.05605	0.9
254.09329	3.9
255.06554	0.9
255.10188	2.5
256.07239	1.4
256.11008	1.5
258.08807	1.2
262.06216	1.2
263.07040	2.2
263.10660	1.4
264.07816	1.2
265.08578	3.5
266.09222	3.5
267.06662	2.1
267.10123	18.2
268.07303	7.1
269.08099	12.3
271.10019	1.0
271.13211	3.7
277.08539	11.6
278.09384	1.1
279.06439	1.1
281.08359	5.3
281.11279	5.2
282.08844	1.5
283.09671	4.7
284.10379	7.3
286.08359	2.4
294.08865	2.5
295.09656	8.7
295.13248	1.7
296.10367	7.5
297.07782	1.2
297.11337	2.5
299.09222	4.2
299.12766	14.5
309.10928	3.9
309.14313	0.9
312.09964	2.8
327.12247	90.8
327.15469	3.3
328.12692	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1434
Annotation	Hinokitiol glucoside
Peak:m/z	Relative Intensity
50.92386	0.5
53.03933	1.1
55.01867	1.0
57.03431	0.8
58.06601	3.8
59.88230	0.6
60.52603	0.5
61.02922	1.1
61.74704	0.5
66.15533	0.5
67.05492	1.7
67.73349	0.6
68.36398	0.5
69.03416	4.6
79.05476	3.0
81.03423	3.0
81.07052	1.3
83.04993	1.2
85.02897	7.7
86.09705	0.6
91.05473	18.1
92.73407	0.6
93.07021	2.1
93.25330	0.5
95.04964	1.7
95.08582	1.3
97.02887	2.1
98.98456	93.2
99.04429	1.2
103.05463	1.5
103.66498	0.7
104.06256	0.8
105.07040	0.8
107.04935	5.4
107.08560	0.9
107.39571	0.6
109.02850	1.4
109.06496	1.0
109.10146	2.2
116.99502	3.6
117.07005	4.4
119.04942	1.3
119.08574	29.6
121.02869	0.6
121.06511	0.9
123.04385	1.6
123.08061	1.0
123.12221	0.6
127.03898	2.2
128.06163	0.6
135.08031	1.2
137.05966	5.4
137.09583	1.7
139.07518	0.6
140.01102	0.9
145.04994	0.9
145.06439	0.7
147.08031	100.0
148.08398	1.8
151.07428	0.7
157.06508	0.8
161.05986	0.9
161.09572	0.9
163.03831	1.1
165.05472	4.9
165.09102	16.8
174.99207	11.9
177.05502	0.6
178.08658	1.2
183.06464	0.6
189.09047	1.0
191.08321	1.7
192.08463	1.0
193.08759	1.7
195.07860	0.6
205.06537	1.1
205.08501	0.6
207.08064	1.3
209.09555	0.7
219.08162	0.7
221.05943	0.6
222.06682	1.0
225.09050	0.7
227.10808	0.7
230.59184	1.1
237.09096	1.8
249.08878	0.6
251.00066	1.6
265.08609	3.5
266.46851	0.6
282.08533	0.7
297.11227	3.5
309.13519	1.1
327.14172	2.0
327.17749	1.2
328.15363	4.8
328.19180	1.9
341.12634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01864	1.8
55.05505	4.9
57.03429	2.6
59.11063	1.0
65.03927	1.7
67.05172	1.6
67.05496	19.6
67.83287	1.1
69.03419	14.9
69.07049	1.8
71.04984	2.0
71.53001	2.0
79.05474	6.8
81.03413	15.0
81.07045	7.0
83.04972	7.9
85.02892	9.1
91.05470	11.2
93.07034	7.4
94.04181	1.8
95.04961	5.9
95.08591	9.0
97.02887	4.6
98.98455	100.0
99.04454	1.7
103.05457	5.6
105.07026	3.4
107.04946	2.5
107.08578	4.3
109.02847	6.5
109.06506	5.1
109.10144	36.8
111.04403	1.2
116.99474	2.2
117.07025	3.6
119.08562	13.6
121.02885	1.1
121.06473	6.3
121.10132	1.6
122.03632	2.2
123.04421	2.2
123.08053	5.4
124.05189	2.5
127.03905	5.6
129.06993	1.6
131.04897	5.8
132.05701	1.3
133.06456	5.8
135.08043	3.8
137.05966	21.4
137.09604	14.7
139.07574	5.7
141.05476	1.0
143.04956	1.6
145.04916	1.0
145.06483	1.8
147.04395	1.6
147.08032	14.6
149.06024	2.2
149.79724	0.9
151.07521	3.7
155.07021	2.9
158.07188	1.3
160.96402	1.1
161.05998	2.4
163.03918	1.8
163.07515	10.5
165.05458	49.7
165.09096	18.3
166.05807	1.9
167.07059	2.3
174.99226	10.2
175.03952	4.6
175.07549	1.9
179.08495	1.3
183.06552	2.5
183.10072	1.2
187.07460	1.4
188.04758	1.1
189.07014	2.0
189.09024	1.1
191.05640	1.2
197.09731	1.2
203.07008	2.2
205.06595	1.4
207.08185	1.7
221.06085	1.5
224.08356	2.6
225.09113	1.8
234.06741	2.2
235.07521	3.1
237.08952	1.2
241.08406	1.2
249.08986	2.6
250.99919	2.5
259.90848	1.0
264.07825	1.3
265.08588	2.2
265.67807	1.0
266.09210	1.4
267.02435	1.0
267.10138	3.0
277.08606	3.4
279.10101	1.0
283.09613	1.1
284.10092	1.2
295.09628	4.0
295.13327	2.6
297.11087	1.5
299.12717	1.8
309.09824	3.9
327.08682	2.7
327.12427	8.5
327.15997	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1589
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03946	2.0
55.01870	1.7
55.05503	2.6
57.03410	1.2
57.07065	0.8
59.04971	0.8
63.51249	0.8
65.03930	1.0
67.05502	3.7
69.03433	6.2
69.07062	3.0
70.81070	0.8
70.81386	1.3
70.96456	0.7
71.04976	1.5
79.05492	8.2
81.03412	8.4
81.07047	10.5
83.04973	1.8
83.08595	1.7
85.02909	3.9
85.06542	1.9
88.29067	0.6
89.22331	0.8
91.05471	9.0
93.07023	6.0
94.04198	4.7
94.04702	0.8
95.04980	3.7
95.08599	6.5
97.02893	1.7
97.06506	1.4
98.98460	100.0
99.04430	1.2
99.08131	0.9
103.05462	21.2
105.04513	0.8
105.07018	10.9
105.82101	0.8
107.04954	5.7
107.08588	3.6
108.05696	1.2
109.02187	0.6
109.02853	4.4
109.06498	5.3
109.10156	6.1
111.04482	0.7
115.05465	2.2
116.99498	4.4
117.07015	3.3
119.04929	2.1
119.08562	4.0
121.06477	8.9
121.10136	2.8
122.03635	10.3
123.04419	1.8
123.08066	3.6
123.11709	2.3
124.05200	2.8
124.29940	0.7
125.05940	1.4
126.03117	0.8
127.03918	2.0
128.06233	1.2
129.06975	1.4
131.04922	23.7
132.05150	0.7
133.06485	34.7
135.04308	0.9
135.08047	13.4
135.11789	1.0
136.24240	0.7
137.05969	99.7
137.09613	3.4
138.06306	2.0
139.07513	5.2
140.01048	0.7
141.07001	1.1
143.04941	2.0
143.08565	2.0
145.06479	8.2
147.04347	1.9
147.07994	4.2
149.06000	2.3
149.13251	1.0
151.03888	2.4
151.07526	15.3
155.07030	2.1
157.06448	3.8
160.05222	1.1
161.05962	1.8
162.06711	1.5
163.07535	52.3
164.07898	1.3
165.05466	45.4
165.09096	3.8
166.05849	2.3
171.08066	1.0
173.05916	0.8
174.99222	10.7
175.03951	0.8
175.07562	5.1
177.05545	0.7
177.09138	2.1
177.12779	0.8
179.08548	1.2
183.06514	2.6
183.10199	0.9
184.40286	0.8
187.07576	2.1
189.07048	1.2
189.09029	2.0
195.07994	0.8
202.07715	1.1
203.10660	2.6
205.15892	0.8
206.07230	2.1
207.08107	3.2
211.07498	0.9
219.07980	0.9
220.08884	0.9
221.09706	1.0
223.07513	1.3
224.08234	0.8
231.08060	1.1
234.06647	1.5
235.07545	2.2
235.11194	2.2
237.09209	0.9
241.08606	1.0
249.09143	3.0
251.00032	1.5
251.06949	1.5
253.08553	2.1
254.16942	0.8
262.06348	1.0
263.07068	0.8
263.10681	3.9
265.08621	1.5
267.10114	2.3
268.07297	1.1
269.07819	0.8
277.08615	6.3
283.09589	0.9
294.08899	1.1
295.09653	4.5
295.13275	10.2
299.12796	1.2
309.09424	4.6
312.09711	0.7
327.04803	1.8
327.08438	2.3
327.12183	10.4
327.15842	9.4
327.19580	1.6
328.12430	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1588
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03954	2.2
55.01857	1.8
55.05503	10.8
57.03418	1.8
57.07076	5.9
67.05497	16.9
68.26022	1.0
69.03424	9.9
69.07061	19.8
71.04993	0.9
71.08617	3.3
71.53098	1.5
79.05145	0.8
79.05495	9.4
81.03385	1.4
81.07047	34.1
83.04963	2.5
83.08618	10.9
85.06523	2.1
85.10161	1.3
91.05460	12.8
93.07031	21.3
95.04970	8.1
95.08603	33.7
97.06523	2.2
97.10168	7.5
98.98458	100.0
103.05478	4.2
105.03368	1.0
105.07021	16.0
107.04948	4.6
107.08582	15.3
109.06534	2.3
109.10147	16.8
111.08034	2.0
111.11691	3.7
115.05474	2.2
116.99473	3.5
117.07011	2.1
119.04929	1.7
119.08573	8.3
120.22932	0.9
121.06500	9.2
121.10136	7.3
122.03642	1.4
123.08061	2.7
123.11701	8.5
125.13297	2.1
127.12479	0.9
128.06207	2.6
129.07024	1.2
130.07706	1.0
130.90630	0.9
131.04910	2.5
131.08557	1.6
133.06454	3.4
133.10126	9.7
135.04408	1.8
135.08026	7.5
135.11705	5.8
136.05180	1.8
137.05975	16.3
137.09599	3.3
137.13239	4.2
139.07549	1.2
139.11165	1.4
140.01059	0.9
141.09146	1.0
142.07719	0.9
143.04880	1.2
143.08554	4.9
145.06468	5.1
145.10109	1.2
146.07243	4.0
147.04417	1.7
147.08057	2.1
147.11690	6.1
149.05981	6.7
149.13237	8.2
151.03912	1.8
151.07529	23.3
151.11134	1.8
151.14813	1.2
153.06935	1.0
155.10652	2.2
157.06522	1.5
158.07265	2.4
160.08832	2.5
161.05981	2.7
161.09601	10.7
161.13191	4.4
163.07547	6.0
163.14767	3.6
164.08276	2.1
165.05490	8.1
165.06725	1.7
165.09077	3.4
165.12733	2.5
169.06509	1.6
170.07231	1.1
171.08034	3.4
172.08749	2.0
174.06755	3.8
174.99223	10.2
175.07495	3.4
175.14867	1.3
176.08264	1.1
177.09102	2.4
177.16357	1.1
178.07695	2.2
179.08441	1.1
179.14337	1.3
181.06467	1.6
182.07281	1.8
183.08022	2.0
184.08713	1.4
185.06000	1.7
185.09563	1.4
188.08287	3.2
189.07231	1.8
189.09047	11.4
189.16418	2.6
191.06995	1.1
191.10631	5.6
191.17900	1.9
194.07214	1.1
195.08003	2.6
196.08818	1.7
197.06038	1.1
197.09540	1.1
199.07536	2.5
200.08299	13.6
201.09074	3.4
202.09898	0.9
203.06905	1.9
203.10616	1.9
203.17990	1.1
205.08534	5.8
206.07234	1.1
207.08046	3.1
208.08757	1.4
209.09616	1.8
210.10411	1.5
211.07527	3.5
212.08345	1.6
213.09094	1.6
215.06949	2.1
215.10593	5.5
216.07617	1.1
217.06543	0.9
217.10298	1.2
217.19434	1.4
219.08107	1.1
221.09492	1.5
223.07523	1.6
223.11224	1.4
224.08284	3.6
225.09065	4.0
226.09782	1.8
227.10641	1.8
228.11349	0.9
229.08731	1.3
229.12285	1.8
231.10138	9.2
234.06670	1.8
235.07452	3.2
235.11113	3.1
237.09065	2.1
238.09865	1.8
239.10657	3.4
240.07822	2.1
240.11342	1.1
241.08530	1.7
241.12216	1.3
242.12930	1.0
243.10139	6.1
243.13716	2.1
245.11754	1.7
248.07979	1.2
249.09019	3.1
249.12817	1.2
250.13574	1.5
251.00052	1.5
251.06963	0.9
251.10454	1.9
252.11475	1.1
253.08592	2.2
253.12250	2.1
254.09377	1.2
255.10118	7.9
256.10886	1.0
257.11612	2.5
261.25671	1.1
263.10651	2.0
265.08539	1.8
265.12195	1.5
266.09421	1.4
266.12662	1.1
267.10089	4.4
267.13596	1.9
268.10797	1.5
269.08109	1.5
269.11676	2.5
270.12396	1.0
271.09659	3.8
271.13150	1.3
273.25729	6.8
277.08551	5.7
278.12994	2.7
279.09955	2.0
279.26712	1.4
280.11066	1.0
281.11694	3.3
281.15320	3.9
283.09586	4.7
283.12997	1.6
284.10306	1.8
284.13660	1.0
285.11133	3.6
285.14511	1.8
291.26794	5.8
294.12286	1.6
295.09537	3.6
295.13077	1.5
296.10709	1.0
296.14056	4.4
297.11108	2.2
298.11960	11.6
299.12695	2.6
299.16354	5.0
309.11249	2.1
309.14795	14.0
309.27771	5.3
312.13217	3.7
327.12125	8.6
327.15836	38.1
327.25128	1.3
328.16107	2.6
349.16425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1588
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03937	1.5
55.01866	1.6
63.36265	0.7
65.03931	1.1
67.05499	1.2
69.07078	0.8
70.12000	2.6
79.05480	4.6
81.07036	3.7
84.20488	0.7
91.05474	21.8
93.07063	1.3
94.04170	3.8
95.04966	6.6
95.08595	0.9
98.98456	23.1
103.05453	53.2
105.07039	5.2
107.04942	15.5
107.08583	1.2
109.06524	4.8
115.05444	7.7
117.07013	10.7
118.16542	0.7
119.04929	12.8
119.08546	2.3
121.06490	6.9
121.10139	0.8
122.03642	8.9
123.04427	1.1
128.06207	30.7
129.06969	1.9
131.04913	27.2
131.08492	1.5
132.05716	1.0
132.09361	0.8
133.06493	2.3
133.10176	0.9
135.08018	3.5
136.05182	1.1
137.05962	100.0
137.40495	0.7
137.50125	0.7
138.06331	2.0
141.06956	2.0
142.07744	2.3
143.08542	44.4
144.05722	0.8
144.08897	1.0
145.06476	23.2
145.10126	1.2
146.07245	4.3
147.04416	2.4
147.08066	0.8
148.05190	8.5
149.05969	2.3
149.09512	1.1
151.03859	1.1
151.07526	50.3
152.06168	1.0
153.06987	1.8
155.06035	2.7
157.06425	1.5
159.04420	1.7
159.08037	2.2
160.05170	2.1
160.08859	2.3
161.05952	4.4
161.09584	5.9
161.92218	0.7
162.06763	2.6
163.07529	41.1
164.08215	2.7
165.09087	10.6
169.06450	1.1
171.08034	55.2
172.08705	3.3
173.05948	10.0
174.06723	2.7
174.99236	2.5
175.07552	9.9
175.11168	2.2
177.09093	13.2
178.07735	0.9
179.08626	0.7
187.07524	8.4
188.08307	72.0
189.07315	0.7
189.08760	4.4
191.08664	0.9
192.09381	2.6
195.08029	1.8
203.10643	94.2
204.11050	3.6
207.11662	0.9
209.09584	1.2
210.06656	0.8
211.07521	0.8
217.10144	1.1
219.08131	1.2
220.08803	2.0
221.09541	1.0
223.07521	2.4
225.09064	1.1
228.31036	0.7
233.05838	0.9
235.11075	4.1
237.09053	2.4
238.09666	1.0
240.07892	0.7
245.09633	1.2
247.07553	1.3
248.08153	1.1
251.07024	1.7
252.11551	1.1
253.08635	1.2
255.10126	1.8
261.64282	0.7
263.10687	4.6
264.11130	1.2
265.08630	1.6
266.09058	0.9
267.10208	1.6
267.13757	3.0
269.08029	0.7
280.10800	1.8
283.09613	8.2
285.11017	1.1
295.13254	6.8
298.11960	9.4
299.12503	1.3
309.14835	0.8
312.13345	1.8
327.15839	52.4
328.16153	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	327.1586
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.02357	0.3
55.01847	0.4
55.05508	0.8
60.86174	0.3
62.11345	0.3
65.03944	0.9
66.04706	0.5
67.05488	1.2
69.03427	0.8
69.07063	0.6
69.95959	0.5
69.96368	1.3
74.96394	0.4
77.61246	0.3
78.04694	0.5
79.05479	1.4
80.06246	0.4
81.03414	0.5
81.07028	2.3
85.02883	0.5
90.04676	0.6
91.05464	5.5
93.03409	0.4
93.07025	1.5
95.04980	1.3
95.08585	1.2
97.10147	0.4
98.20837	0.5
98.98450	44.3
103.05455	1.2
105.07018	1.5
106.04190	0.5
107.04938	8.1
107.08578	0.6
108.05746	2.6
109.06486	1.1
109.10156	0.9
115.05452	1.3
116.06177	0.7
116.99434	1.6
117.07010	0.7
118.04185	0.4
119.04939	0.9
119.05981	0.4
119.08556	1.0
121.06510	2.2
121.10155	0.7
122.03609	1.1
123.04409	0.5
123.08106	0.4
123.71621	0.4
127.05409	0.3
128.06212	1.6
129.07018	2.4
129.53860	0.4
130.07739	0.5
131.04915	2.7
133.06473	1.1
135.04399	3.1
136.05174	7.8
137.05957	10.5
137.09531	0.6
139.07500	0.8
142.72647	0.4
143.04918	2.2
143.08536	0.5
144.05658	2.4
145.06464	2.5
146.07251	1.0
147.04338	0.5
147.08023	0.8
149.13269	0.5
151.03873	1.3
151.07518	100.0
152.07864	2.2
157.06465	1.0
158.07246	11.0
159.04390	3.7
159.08061	2.0
161.05946	0.4
163.03830	0.4
163.07524	2.1
165.05475	2.7
165.06802	0.7
165.09111	1.3
171.08069	0.5
173.05954	0.8
174.06741	17.6
174.99182	4.6
175.03961	0.6
175.07501	2.0
177.09088	0.7
178.07761	0.5
179.07031	0.7
179.08502	0.8
188.08257	1.6
189.09076	45.4
190.09445	1.9
195.08130	0.7
197.05894	0.4
203.06938	0.4
203.10622	3.4
204.10951	0.5
207.08000	1.3
209.09608	0.5
221.09621	1.3
223.07520	0.7
224.08261	0.7
225.09036	0.7
234.06654	0.8
235.07513	1.0
237.09097	0.6
240.07785	0.6
249.09070	1.4
251.00043	0.6
251.07092	0.6
252.07809	0.7
253.04935	0.4
253.08545	1.1
265.08459	0.5
265.12244	0.9
266.09302	0.6
267.10144	1.5
277.08478	2.5
281.08429	0.7
281.11618	1.6
283.09583	1.0
295.09637	1.0
295.13092	0.6
296.10599	0.6
296.13907	3.0
297.11081	0.8
299.12762	0.8
309.11237	0.4
312.13205	0.5
327.08414	0.7
327.12158	5.9
327.15869	13.3
342.31924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1588
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.02382	0.4
53.03934	1.1
55.01860	1.7
55.05503	0.4
60.55775	0.4
65.03949	0.7
67.05491	1.3
69.03432	2.2
69.03728	0.4
71.08569	0.4
71.08918	1.0
77.03911	0.5
78.39571	0.4
79.05476	3.3
81.03415	2.1
81.07056	2.0
83.04955	1.0
85.02887	1.0
90.32723	0.4
91.05483	5.1
93.07035	1.6
94.04189	4.5
95.04967	2.0
95.08586	1.5
97.02811	0.5
98.98458	40.2
103.05460	21.8
103.06029	0.4
105.04493	0.6
105.07025	10.5
107.04946	3.7
107.08611	0.6
109.02866	1.0
109.06521	4.0
109.10137	1.9
115.05438	1.8
115.36099	0.4
116.99512	1.2
117.07008	3.0
119.04920	1.3
119.08559	1.3
120.05717	0.7
121.06503	6.4
122.03639	7.0
123.04430	0.9
123.08048	2.5
124.07651	0.5
127.03941	0.5
128.06232	0.8
129.06973	0.9
131.04918	22.7
132.05606	0.5
133.06483	34.9
135.08040	13.0
136.05142	0.7
137.05966	100.0
137.09602	1.6
138.06294	2.1
139.07527	0.6
143.04927	1.3
143.08505	0.6
144.05663	0.6
145.06458	7.6
147.04388	1.0
147.08051	2.9
149.05934	2.3
151.03802	0.5
151.07533	11.3
157.06488	3.8
159.08040	0.7
160.05179	1.1
161.05995	0.9
162.06764	0.9
163.07530	52.5
164.07910	1.6
165.05481	5.2
165.09105	2.4
167.05171	0.4
167.08661	0.5
169.06424	0.6
171.08017	0.9
172.05219	0.5
174.99211	5.6
175.07520	4.4
177.09033	2.1
178.08606	0.4
187.07561	1.5
188.08279	0.5
189.07251	0.4
189.09074	2.4
194.07277	0.6
202.07764	1.0
203.06912	1.0
203.10654	2.1
205.06500	0.7
207.08069	0.8
207.11826	0.4
217.10049	0.9
219.08063	0.6
220.08821	0.8
221.09636	0.5
231.07954	0.5
234.06705	0.8
235.07600	0.9
235.11198	1.8
245.09659	1.0
247.07590	0.8
248.08353	1.2
249.09047	0.5
251.00146	0.5
263.10675	4.2
264.07721	0.6
265.08484	2.2
277.08554	0.5
279.10120	1.0
284.10220	0.6
295.09946	0.7
295.13226	10.3
296.10419	0.6
297.11243	1.3
311.12827	0.7
312.13370	0.5
327.12369	1.2
327.15903	7.6
328.12021	0.8
328.15622	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1585
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
52.33426	0.5
53.03939	0.8
55.01870	0.7
55.05508	1.3
57.03424	0.8
66.04714	0.7
67.05490	2.1
69.03416	0.7
69.07061	1.9
70.58791	1.2
70.59171	1.1
77.01577	0.6
79.05479	2.5
81.03409	0.8
81.07053	3.5
81.21964	0.5
85.06499	0.6
91.05476	4.6
91.37633	0.6
93.07045	2.6
95.04979	1.0
95.08610	3.4
98.20902	0.8
98.98454	100.0
103.05460	1.5
105.07001	2.2
107.04926	6.5
107.08586	1.7
108.05720	1.7
109.02853	0.6
109.06488	1.5
109.10168	2.8
115.05437	1.8
116.06219	0.8
116.99508	3.3
117.06984	1.1
119.04923	2.2
119.08562	1.5
121.06481	1.9
121.10133	1.3
122.03629	1.4
123.11632	0.7
124.05213	0.6
128.06198	2.4
129.06979	1.8
131.04910	3.5
131.08565	1.3
133.06429	1.2
135.04385	2.1
135.11740	0.8
136.05186	4.6
137.05971	12.9
139.07545	0.9
140.01060	1.1
142.22621	0.6
143.04877	2.7
143.08501	0.9
144.05690	3.6
145.06441	4.3
145.10106	0.7
146.07236	1.6
147.08043	0.9
147.11655	1.0
149.13228	1.1
151.03896	1.7
151.07523	70.6
152.07845	1.6
157.06416	0.7
158.07248	17.6
159.04390	4.0
159.08049	3.9
161.06013	0.8
163.07498	3.0
165.05472	3.1
165.06827	0.8
165.09090	1.0
171.08083	0.7
173.05910	0.7
173.09540	0.6
174.06743	18.9
174.99210	12.3
175.03915	0.8
175.07411	1.6
177.09067	1.4
179.08580	0.8
188.08293	1.1
189.09084	56.0
190.09459	2.2
195.07953	0.7
203.07022	1.0
203.10605	3.1
205.06575	0.7
206.07076	0.7
207.08012	1.5
208.08789	0.6
211.07558	0.9
221.06009	0.6
221.09521	0.8
223.07500	1.3
224.08296	1.9
225.08980	1.0
234.06708	2.1
235.07449	1.6
237.09076	0.7
238.09758	0.9
239.10741	0.6
240.07808	1.6
241.08539	0.7
249.09061	2.3
250.09747	0.7
251.00035	1.4
252.07764	0.9
253.08641	0.7
253.12181	1.9
254.09279	0.7
255.10162	4.5
265.08478	0.9
266.09402	0.7
267.10120	2.2
268.10709	0.9
277.08585	3.0
281.08432	1.1
281.11569	5.1
282.08884	0.7
283.09653	4.3
284.10269	0.9
294.08795	0.6
295.09503	2.2
295.12762	1.0
296.10715	0.9
296.13995	7.7
297.11063	1.9
297.14224	0.6
298.11996	9.6
299.12753	1.8
300.76111	0.5
309.11197	0.7
312.13367	2.2
327.12180	7.0
327.15814	48.9
328.16052	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1587
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
60.51915	0.5
62.55012	0.6
67.05479	0.8
69.07066	0.8
70.78259	1.3
79.05476	1.5
80.06249	0.6
81.03373	0.5
81.07043	1.3
91.05466	4.6
93.07018	0.9
95.04967	1.0
98.98455	58.9
103.05466	0.9
105.03401	0.9
105.07005	1.8
106.07528	0.6
107.04942	9.2
108.05717	2.2
109.10111	0.6
115.05455	1.8
116.06243	1.1
116.99478	2.5
117.07066	0.6
121.06499	2.6
123.08057	0.5
124.05143	0.8
128.06216	2.5
129.06990	3.3
131.04916	3.3
131.08534	0.8
133.06459	1.2
135.04378	3.0
136.05182	7.5
137.05968	4.5
139.07501	0.9
143.04906	4.6
144.05688	4.9
145.06470	4.8
146.07211	2.1
147.07977	1.0
151.07524	100.0
152.07884	2.2
155.06033	0.7
157.06453	0.9
157.07649	0.8
158.07256	23.2
159.04373	5.5
159.08020	3.7
161.05992	0.9
163.07515	1.8
165.05463	0.7
165.09045	0.8
174.06750	28.9
174.99223	6.3
175.07379	2.1
177.09036	0.7
179.08549	0.8
185.26181	0.6
189.09085	75.2
190.09456	2.0
195.08005	0.6
203.10619	0.7
207.08028	1.0
209.09599	0.9
219.69962	0.6
221.09605	1.5
223.07362	0.7
232.47455	0.5
237.08855	0.7
249.09076	1.3
251.00005	0.9
252.11363	0.7
265.12192	1.4
266.09167	1.0
267.10086	1.1
269.37854	0.6
277.08527	1.3
281.11682	5.7
283.09448	0.7
295.09567	0.9
295.13254	1.1
296.10706	0.9
296.14014	8.4
297.11267	1.3
312.13483	1.4
327.12518	3.1
327.15848	53.9
328.16113	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.6
53.03952	1.4
55.05519	2.7
57.07061	1.3
67.05496	5.9
69.07052	4.0
71.04968	0.7
71.53023	1.0
77.01594	0.9
77.03902	0.7
79.05489	3.2
81.03419	0.7
81.07047	5.6
83.08584	1.4
91.05470	9.7
93.07037	10.5
94.04176	0.5
95.04955	12.4
95.08597	7.3
97.06523	2.3
98.98453	100.0
103.05462	4.8
104.08002	0.6
105.07011	10.3
107.04941	2.7
107.08561	5.1
109.06499	2.5
109.10135	4.1
109.59502	0.6
111.67561	0.5
115.05470	1.9
116.99496	3.6
117.07006	3.6
119.04943	2.1
119.08572	8.8
121.06510	2.9
121.10142	4.4
122.03626	1.3
123.08041	1.9
123.11712	0.9
128.06241	3.6
129.06967	3.1
130.07776	1.4
131.04921	3.6
131.08569	4.8
133.06488	1.2
133.10136	6.7
135.08029	1.9
135.11691	1.8
137.05951	14.7
137.09576	0.8
140.01089	1.4
141.06989	1.0
142.07742	3.4
143.04912	0.7
143.08539	7.2
144.09390	0.8
145.06490	2.5
145.10106	7.3
146.07245	0.7
147.07993	1.6
147.11649	3.0
149.05911	1.0
149.09566	0.9
151.03912	0.6
151.07529	11.7
152.06189	1.6
153.06963	0.8
155.08571	1.7
156.09344	1.0
157.10153	4.3
158.07249	1.6
158.10872	1.0
159.08087	0.9
159.11638	5.3
161.06056	0.8
161.09625	2.1
161.13280	0.9
163.07539	2.5
163.14705	0.7
165.09145	1.5
167.08612	0.6
169.10141	2.3
170.10851	0.7
171.08049	5.1
171.11682	2.3
173.13271	2.0
174.06752	1.5
174.99220	10.1
175.07541	2.6
175.14833	2.4
175.58449	0.6
177.09145	1.5
179.08519	1.2
181.10100	0.8
182.10835	0.7
182.64537	0.6
183.11685	1.3
185.13347	1.0
187.07555	1.4
187.11186	1.0
187.14781	1.5
188.08284	7.8
189.09053	4.5
189.16501	0.7
195.11696	1.2
197.13239	1.8
199.14798	1.4
201.16351	1.1
203.10626	10.5
207.11751	0.7
209.13263	1.9
211.14841	1.7
213.16388	0.7
221.09650	0.8
221.26974	0.7
223.14716	0.9
225.16628	0.7
233.03548	1.0
235.14766	0.8
251.00099	1.7
263.10690	0.9
270.12714	0.6
281.11755	0.8
283.09674	0.8
296.13922	0.8
298.12042	1.2
299.12915	2.9
309.22238	1.1
312.12985	0.8
327.08020	2.3
327.12180	0.7
327.15781	9.3
327.19318	1.3
327.22803	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	327.289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99452	0.9
53.03936	2.2
55.01849	1.5
55.05503	10.5
57.03413	1.6
57.07062	5.8
65.03931	2.2
65.66527	1.0
67.05497	15.9
69.03414	7.6
69.07059	18.5
70.12185	2.7
70.12578	2.2
71.08610	2.5
78.66955	1.2
79.05479	10.5
81.03404	1.8
81.06588	2.1
81.07050	36.7
83.04995	2.2
83.08609	11.6
85.06522	1.4
85.10168	1.5
91.05470	11.1
93.07035	18.8
95.04984	7.3
95.08598	36.4
97.06522	3.1
97.10166	8.0
98.98457	100.0
103.05437	4.6
105.04476	1.3
105.07017	17.2
107.04937	4.2
107.08582	16.4
108.05741	1.4
109.06504	2.5
109.10143	17.8
111.08058	1.4
111.11700	3.5
115.05463	2.2
116.99508	4.0
117.07002	2.7
119.08571	7.3
121.06497	9.3
121.10127	9.2
122.03680	2.1
123.08040	3.1
123.11700	7.3
125.09676	1.5
128.06219	3.7
129.06976	1.9
131.04906	4.2
131.08589	2.1
133.06488	3.8
133.10109	5.5
135.04399	1.4
135.08038	5.3
135.11679	6.9
136.05139	1.9
137.05969	20.3
137.09560	4.1
137.13219	3.7
139.07452	1.6
143.04778	2.0
143.08546	5.1
145.06483	4.3
146.07239	2.8
147.07991	2.3
147.11667	6.6
149.05969	4.7
149.13251	7.0
150.06651	1.3
151.03900	4.1
151.07520	19.7
151.11177	1.5
151.14799	1.6
153.06953	1.2
153.12643	1.6
155.08495	1.1
155.10658	3.6
159.08118	1.5
160.08809	1.8
161.05894	2.1
161.09589	7.6
161.13228	3.3
163.07503	7.8
163.14795	2.6
164.08206	1.9
165.05498	7.3
165.09093	2.3
165.12813	3.2
170.07294	1.3
171.08052	2.7
173.13257	1.3
174.06743	3.5
174.99200	13.1
175.07498	2.8
177.09050	3.5
178.07787	1.4
179.08517	1.9
179.17937	1.5
181.06422	1.6
182.07294	2.0
183.08186	1.6
185.06061	1.6
188.08319	3.5
189.07478	1.8
189.09064	11.7
191.10664	3.2
195.08008	2.6
197.06013	1.6
199.07564	1.7
200.08333	7.7
201.08939	2.6
203.06978	1.7
203.10666	3.2
203.17955	1.6
205.06563	1.5
205.08607	3.7
206.07219	2.9
207.07942	4.0
208.08746	1.9
211.07487	2.7
212.08118	2.7
213.09117	1.8
215.10602	4.7
217.19606	1.4
221.09544	2.0
223.07527	2.5
224.08258	3.9
225.09061	2.6
227.10577	2.2
228.07816	1.8
231.10130	7.4
234.06694	3.7
235.07527	4.5
235.11183	2.2
237.09076	2.6
238.09833	2.5
239.10721	1.8
240.07825	2.1
241.08560	2.5
243.10127	2.9
243.13686	1.4
249.09091	5.3
250.13449	2.0
252.07756	1.8
252.11301	2.0
253.08476	2.6
253.12155	3.1
254.09540	1.9
255.10141	8.0
256.10492	1.9
265.08572	2.0
265.12335	1.4
267.10278	5.6
268.07358	1.8
268.10825	2.1
269.08130	1.4
269.11768	2.2
271.09604	1.9
273.25711	8.3
277.08484	6.9
279.09976	1.5
279.26807	1.8
281.11621	4.7
281.15244	3.8
283.09628	6.6
291.26849	3.3
295.09573	3.3
295.13007	2.4
296.14029	4.6
297.11075	3.2
298.11945	15.4
299.12570	3.9
299.16342	4.4
309.11258	2.5
309.14786	9.2
309.27887	4.2
312.13159	6.1
327.12146	12.0
327.15811	38.1
327.25323	2.5
328.12531	2.3
328.16132	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	328.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31990	0.5
53.03938	1.8
55.01867	1.3
57.03431	1.9
58.06590	1.7
61.02929	4.6
69.03424	10.1
69.23497	3.7
69.23923	1.9
71.04977	1.6
71.63938	0.6
73.02913	1.6
75.30463	0.5
79.05482	0.8
81.03419	4.6
85.02896	25.7
87.04464	1.7
91.03950	1.3
93.07008	0.6
97.02878	7.9
98.98456	21.0
99.04451	1.7
103.05477	0.7
104.04992	1.1
105.07012	0.8
109.02876	3.1
119.04784	0.5
127.03904	5.4
137.05983	1.3
138.06337	0.7
145.04958	5.2
148.02141	87.0
149.02496	2.3
149.05914	0.6
163.06255	1.3
166.03207	100.0
166.08575	1.3
167.03554	2.3
174.99216	1.5
176.98813	0.7
178.08643	4.4
178.10019	0.7
189.04741	0.7
194.07274	0.6
202.10657	1.1
205.06458	2.3
219.07924	0.7
222.06705	1.5
233.05899	2.1
237.08968	2.9
249.80817	0.6
265.05933	0.7
265.08588	9.8
282.08856	0.8
297.11163	6.9
328.08371	1.9
328.11887	1.4
328.15305	7.1
328.19125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1537
Annotation	(-)-Boldine
Peak:m/z	Relative Intensity
55.01860	1.1
57.03403	0.9
58.06594	17.1
69.03413	1.1
69.44977	0.8
70.62646	3.8
79.05450	0.9
81.03409	2.6
85.02894	1.4
91.05475	1.5
97.02894	0.9
98.98452	56.9
109.02841	2.5
116.99519	1.9
121.10069	1.1
123.04385	5.8
124.07577	3.4
127.03849	1.3
131.52284	1.0
137.05971	4.3
138.09100	1.3
145.02881	1.1
148.07512	1.4
149.09631	1.9
151.07516	2.7
153.06958	0.9
163.03900	1.1
163.06229	3.0
165.05640	1.7
165.06982	5.5
165.84668	0.9
166.07504	1.2
166.08746	2.3
167.08528	1.3
174.99211	2.2
176.15022	0.9
176.98978	1.6
177.05501	1.4
177.06998	1.4
178.08629	21.2
179.08562	5.3
180.09306	1.0
181.06551	1.6
181.10101	3.2
184.09648	2.0
189.06985	2.5
190.07739	4.0
191.08517	19.2
192.08777	1.1
193.06470	2.1
194.07237	6.0
195.08003	2.5
202.07750	1.3
202.10837	1.9
205.06525	9.0
206.07185	1.4
207.08006	11.3
208.08803	5.2
209.09595	10.8
211.07457	1.2
218.07222	2.5
219.08020	14.2
221.05995	6.1
222.06728	23.6
223.07477	5.3
225.08997	2.9
233.05946	5.1
234.06485	1.3
235.07469	4.9
236.08298	4.0
237.05431	1.5
237.09070	23.3
239.07028	4.4
247.07442	5.3
249.05359	2.1
250.06218	3.5
251.07074	2.4
253.08589	3.6
254.09465	1.1
255.10069	2.3
263.07068	2.9
264.07782	2.8
265.08554	79.6
266.09094	3.6
267.06534	7.6
267.09341	1.2
268.06717	1.0
279.10141	2.4
281.61954	1.1
282.08820	32.7
283.09268	2.0
285.11185	1.0
297.11176	100.0
298.11493	5.5
312.12247	6.3
313.12897	5.8
328.15387	92.0
329.09967	1.7
329.15723	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	329.1381
Annotation	Hirsutanone
Peak:m/z	Relative Intensity
52.17102	0.3
53.03965	0.4
55.05510	0.6
65.03943	0.5
67.05502	1.2
69.03427	0.4
69.07055	0.7
71.05003	0.5
71.52292	0.5
79.05489	0.9
81.07047	1.6
83.08606	0.5
91.05463	2.6
93.07034	0.8
94.04206	0.5
95.04971	1.1
95.08598	1.1
97.06522	0.4
98.98461	100.0
100.98875	0.7
103.05470	1.6
105.07034	1.2
107.04944	1.5
107.08572	0.7
108.05738	0.4
109.06518	0.5
109.10121	0.7
110.21249	0.3
115.05471	1.2
116.99500	4.0
117.06967	0.6
119.04932	0.7
119.08575	1.3
121.06511	2.4
121.10159	0.6
123.04407	0.8
123.08035	0.4
125.05960	0.8
128.51894	0.5
129.07076	0.4
131.04945	2.2
131.08557	0.5
133.10114	0.4
135.04407	6.0
135.08073	0.6
136.05190	10.5
137.05966	6.1
138.06754	0.7
139.07547	0.8
140.01065	1.4
143.08528	0.5
145.06454	0.7
145.10138	0.5
146.07251	1.7
147.04460	0.5
149.05998	1.9
151.03883	0.8
151.07535	16.4
152.06161	0.6
152.07851	0.4
153.07004	0.5
159.04448	0.8
159.08054	0.7
161.05981	0.5
162.06783	0.4
163.07552	1.9
165.06973	1.0
165.09120	1.1
166.07788	0.6
167.07126	0.7
167.08543	1.5
169.06468	1.2
172.31589	0.4
173.13232	0.4
174.06789	1.9
174.99236	7.1
175.07509	1.4
176.04683	1.0
176.98903	4.7
177.09096	2.0
179.08501	0.5
181.06540	0.8
183.08083	1.1
185.09747	0.6
187.07587	0.6
188.08311	1.6
189.09076	0.9
191.07033	5.3
191.08621	0.8
191.10651	0.5
192.10094	0.7
193.06590	0.4
194.07274	0.6
195.08051	2.6
196.05161	0.8
196.08812	1.0
197.05974	1.4
197.09637	0.8
198.06761	0.6
203.07133	0.4
203.10637	1.3
205.06686	0.8
205.08571	3.1
207.04454	1.1
207.08025	0.9
208.05130	0.8
208.08685	0.6
209.09564	0.6
210.06894	0.5
211.07526	3.3
212.08293	1.2
213.08971	0.5
219.08099	0.9
220.08736	0.7
221.05994	1.0
223.07545	0.7
223.11163	0.5
224.08388	0.9
225.05396	1.2
225.09128	1.4
227.10640	2.8
228.11479	0.7
229.08586	0.8
233.05699	0.4
235.07610	2.3
236.08354	0.9
237.09032	1.1
239.07004	1.8
239.10715	0.6
240.07758	1.4
241.08479	1.1
241.12244	0.5
243.13757	0.6
248.08324	0.9
251.00050	0.9
251.10652	1.6
252.99643	0.7
253.08676	1.7
254.05838	0.5
254.09352	0.6
254.13155	0.5
255.10156	3.8
256.10931	0.9
257.08035	1.4
259.13403	0.7
264.07758	0.6
265.08563	2.1
265.21515	0.4
268.07202	0.5
268.10782	0.5
269.07938	1.3
269.11572	0.5
269.15344	1.7
271.09573	2.0
272.07437	0.9
272.10400	15.3
273.10870	1.2
279.10144	3.5
280.10785	2.7
281.08032	0.6
283.09882	0.6
283.13153	0.9
286.11978	4.7
287.12671	4.0
296.10519	1.0
297.11331	0.8
297.14850	1.0
298.11896	1.1
299.05521	0.8
301.14331	0.6
311.12711	5.8
315.08691	2.0
329.10242	2.6
329.13785	29.5
329.17194	1.8
329.20859	0.8
330.10822	1.9
330.14185	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01855	2.1
55.05494	1.8
57.03438	1.3
57.07081	0.9
57.30113	0.6
59.04992	1.2
61.29022	0.6
65.03931	1.3
67.05488	2.8
69.03431	4.2
69.07063	1.1
70.77601	1.8
71.04984	1.8
72.52040	0.6
79.05486	6.6
81.03415	5.8
81.07050	10.7
83.04973	0.9
83.08611	1.2
85.02898	3.1
85.06511	0.8
91.05472	3.9
93.03376	1.2
93.07034	12.4
95.04953	3.4
95.08624	3.7
97.02883	2.3
97.06543	1.4
98.98454	100.0
99.04420	1.3
100.11225	1.4
100.98898	1.3
103.05486	1.1
105.07011	2.8
107.04938	4.6
107.08566	3.3
107.45253	0.6
109.02905	4.1
109.06514	1.5
109.10163	1.2
111.04424	2.8
111.07983	0.7
115.05418	1.2
116.99491	3.2
117.07027	1.0
119.04936	1.1
119.08558	1.3
121.06512	3.3
121.10133	13.5
123.04404	2.0
123.08073	1.6
123.11703	1.5
124.07586	3.1
125.05968	1.7
125.09629	0.8
127.03054	0.6
127.03907	2.2
128.06229	0.9
129.06987	1.7
131.04901	1.8
131.08592	1.4
133.10069	0.8
135.04405	0.9
135.08049	1.1
137.05957	10.9
137.09604	0.9
139.11160	3.1
140.01080	1.0
143.04907	1.6
145.06477	1.3
147.04346	1.1
149.05957	4.3
149.09598	17.0
151.03882	8.1
151.04971	1.2
151.07530	1.0
152.06268	1.1
157.06526	0.6
159.08046	1.5
161.05959	1.7
163.07544	1.3
164.92714	0.7
165.05455	2.6
165.06990	2.9
165.09164	0.7
166.07831	0.9
167.07117	1.5
167.08507	1.0
167.10667	4.9
169.06424	0.8
172.03908	2.4
174.99194	8.2
175.07568	3.4
176.98953	3.7
177.05452	2.3
178.07808	0.9
179.07101	0.8
179.08546	1.3
180.05624	0.8
181.06445	2.0
182.07271	1.6
183.08014	1.0
184.16959	1.3
187.07524	0.8
189.07011	0.7
191.07034	1.0
191.08580	1.9
193.06384	1.0
194.07170	1.5
195.08011	1.8
197.05969	1.5
197.09511	0.8
204.06526	5.1
205.06612	1.0
206.08026	0.7
207.08046	1.7
208.05261	1.9
208.08824	1.5
209.06015	1.2
209.09460	0.9
210.06784	2.2
210.14859	1.1
211.07469	2.0
212.08293	0.9
219.07980	3.6
221.05962	1.2
221.09561	0.8
223.07515	2.4
223.11043	3.1
225.05513	1.2
225.09079	3.1
226.06223	1.1
227.07022	3.7
227.10645	0.9
233.09616	0.8
235.07584	1.0
236.04715	0.8
236.08284	1.7
237.09256	3.1
238.05988	0.9
239.07002	2.3
239.10616	0.8
240.07753	3.5
241.05035	0.7
241.08565	2.3
247.07561	1.7
248.08162	1.2
251.07057	2.1
251.10655	2.8
253.04965	0.9
253.08643	6.5
255.06427	3.4
255.10231	1.4
264.07785	1.0
265.08636	1.9
267.10110	1.0
268.07281	7.4
268.10516	1.4
269.08090	2.8
270.08881	5.7
271.05826	0.7
279.10040	3.4
280.10733	0.7
283.09644	14.4
283.13269	8.3
293.13806	4.4
296.10419	2.3
297.07849	0.9
297.11081	3.7
298.11887	0.7
299.05554	1.3
299.09256	0.8
299.12787	1.5
300.18326	1.0
301.14319	1.7
311.12427	5.9
314.07870	1.2
315.08521	3.8
329.06723	1.1
329.10193	4.6
329.13858	22.1
329.21896	3.0
330.10931	2.7
330.14316	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1592
Annotation	Xylaroside B
Peak:m/z	Relative Intensity
53.03933	3.3
53.58065	0.6
55.01846	1.8
55.05484	1.2
57.03424	1.9
59.04987	4.7
65.03919	2.8
67.05496	6.7
69.03418	12.6
69.07072	1.7
69.50440	3.2
69.50847	1.6
71.04971	2.4
71.39571	0.6
73.02919	0.9
79.05482	15.3
81.03404	20.5
81.07045	34.7
81.16074	0.6
83.04957	2.3
85.02894	10.6
85.06519	1.1
85.81586	0.8
91.05480	8.7
93.03405	5.6
93.07028	35.3
95.04955	3.8
95.08588	5.3
97.02873	4.2
97.06509	2.2
98.98450	100.0
99.04446	2.9
100.98921	1.1
103.05453	2.3
105.04469	1.2
105.07018	5.3
107.04935	6.7
107.08569	3.3
109.02871	10.3
109.06446	1.5
109.10147	1.8
111.04411	5.6
115.05416	1.9
115.56348	0.6
116.99472	3.5
117.07005	0.8
119.08557	1.4
121.06480	4.9
121.10125	32.6
122.10479	1.1
123.04433	2.0
123.08031	2.1
123.11694	1.6
125.05939	3.4
127.03896	4.1
129.06964	1.7
131.04889	0.7
131.08569	3.5
135.04335	0.8
135.08047	1.2
137.05945	7.3
139.03851	1.7
139.11150	4.1
140.00961	0.8
143.04868	0.7
145.05017	0.7
147.04387	1.5
147.08031	0.9
149.05968	7.1
149.09595	64.5
150.09926	1.1
151.03854	1.8
151.07518	1.1
152.06096	0.8
153.05452	1.1
159.08133	1.0
161.06013	1.0
163.03955	0.8
163.07413	0.7
165.05469	3.0
165.06728	0.7
166.05794	1.2
167.05827	0.9
167.07188	3.2
167.10648	14.1
171.08168	0.7
174.06837	0.9
174.99173	7.9
175.07535	5.0
176.98904	3.6
177.05507	2.2
177.09137	0.8
179.06975	1.2
181.06477	0.8
187.07556	0.9
189.09058	1.6
194.07333	0.9
195.08018	1.6
207.07907	0.9
208.05135	4.9
211.07457	0.9
219.08040	1.7
223.07509	1.0
225.09068	1.3
226.06148	1.1
227.07063	1.4
236.04597	1.7
237.05437	1.1
237.07578	2.8
239.07072	1.1
240.07893	1.0
241.08473	1.2
250.99977	1.0
251.07092	1.0
251.10553	1.4
253.08559	1.9
254.05807	1.1
255.06497	1.0
265.08591	1.6
268.07336	1.4
269.08014	3.2
270.08804	1.9
271.06030	1.3
279.10129	1.9
283.09708	3.7
283.13251	1.8
293.13800	21.7
297.07861	0.9
297.11166	2.7
299.05649	1.2
299.09097	1.0
299.12570	1.1
300.06030	0.7
301.07013	0.9
301.14355	0.9
311.09497	0.8
311.15457	4.6
315.08524	7.6
329.06464	3.5
329.10123	3.9
329.13904	11.2
329.16736	1.1
330.10876	6.1
330.14008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
53.58065	0.6
55.01846	1.8
55.05484	1.2
57.03424	1.9
59.04987	4.7
65.03919	2.8
67.05496	6.7
69.03418	12.6
69.07072	1.7
69.50440	3.2
69.50847	1.6
71.04971	2.4
71.39571	0.6
73.02919	0.9
79.05482	15.3
81.03404	20.5
81.07045	34.7
81.16074	0.6
83.04957	2.3
85.02894	10.6
85.06519	1.1
85.81586	0.8
91.05480	8.7
93.03405	5.6
93.07028	35.3
95.04955	3.8
95.08588	5.3
97.02873	4.2
97.06509	2.2
98.98450	100.0
99.04446	2.9
100.98921	1.1
103.05453	2.3
105.04469	1.2
105.07018	5.3
107.04935	6.7
107.08569	3.3
109.02871	10.3
109.06446	1.5
109.10147	1.8
111.04411	5.6
115.05416	1.9
115.56348	0.6
116.99472	3.5
117.07005	0.8
119.08557	1.4
121.06480	4.9
121.10125	32.6
122.10479	1.1
123.04433	2.0
123.08031	2.1
123.11694	1.6
125.05939	3.4
127.03896	4.1
129.06964	1.7
131.04889	0.7
131.08569	3.5
135.04335	0.8
135.08047	1.2
137.05945	7.3
139.03851	1.7
139.11150	4.1
140.00961	0.8
143.04868	0.7
145.05017	0.7
147.04387	1.5
147.08031	0.9
149.05968	7.1
149.09595	64.5
150.09926	1.1
151.03854	1.8
151.07518	1.1
152.06096	0.8
153.05452	1.1
159.08133	1.0
161.06013	1.0
163.03955	0.8
163.07413	0.7
165.05469	3.0
165.06728	0.7
166.05794	1.2
167.05827	0.9
167.07188	3.2
167.10648	14.1
171.08168	0.7
174.06837	0.9
174.99173	7.9
175.07535	5.0
176.98904	3.6
177.05507	2.2
177.09137	0.8
179.06975	1.2
181.06477	0.8
187.07556	0.9
189.09058	1.6
194.07333	0.9
195.08018	1.6
207.07907	0.9
208.05135	4.9
211.07457	0.9
219.08040	1.7
223.07509	1.0
225.09068	1.3
226.06148	1.1
227.07063	1.4
236.04597	1.7
237.05437	1.1
237.07578	2.8
239.07072	1.1
240.07893	1.0
241.08473	1.2
250.99977	1.0
251.07092	1.0
251.10553	1.4
253.08559	1.9
254.05807	1.1
255.06497	1.0
265.08591	1.6
268.07336	1.4
269.08014	3.2
270.08804	1.9
271.06030	1.3
279.10129	1.9
283.09708	3.7
283.13251	1.8
293.13800	21.7
297.07861	0.9
297.11166	2.7
299.05649	1.2
299.09097	1.0
299.12570	1.1
300.06030	0.7
301.07013	0.9
301.14355	0.9
311.09497	0.8
311.15457	4.6
315.08524	7.6
329.06464	3.5
329.10123	3.9
329.13904	11.2
329.16736	1.1
330.10876	6.1
330.14008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1742
Annotation	CHEMBL595314
Peak:m/z	Relative Intensity
53.03941	0.6
55.01865	0.9
65.19936	0.4
67.05506	1.2
71.41821	0.9
79.05489	4.3
84.58344	0.5
84.80016	0.5
91.05468	1.2
95.04971	2.7
95.08632	0.6
98.98454	35.8
103.05463	2.8
104.06236	0.7
105.03339	0.7
105.07018	31.4
116.99483	1.2
117.06915	0.6
121.06456	1.2
123.04412	100.0
124.04744	0.7
131.04897	1.1
132.05687	1.6
133.06474	19.2
136.05188	0.7
145.10045	0.7
147.07997	1.0
149.05975	4.6
151.07523	82.0
152.07872	1.3
164.08315	35.0
165.09006	1.2
167.85101	0.4
173.09576	0.6
174.99225	3.0
176.98871	0.9
179.10651	17.2
191.10669	2.0
299.05261	0.6
311.16321	1.6
329.10339	0.8
329.17450	5.1
329.32578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.7
57.03431	3.1
57.61236	2.0
58.19287	2.0
61.02926	3.1
67.05492	3.9
69.03432	10.2
69.07034	2.6
71.52805	2.8
74.46398	2.1
79.05472	8.2
81.03413	4.8
81.07043	5.3
85.02892	25.9
91.03944	2.4
91.05463	29.2
93.07042	2.9
94.06557	2.5
95.04974	6.9
97.02858	9.9
98.98454	100.0
105.07007	10.8
106.06557	3.5
107.04944	41.0
107.08598	3.8
107.89121	2.0
109.02875	5.8
109.06516	5.7
111.04417	3.9
115.05479	2.1
116.27800	1.9
116.98653	1.9
116.99497	3.5
117.05752	3.2
120.08088	23.8
121.06501	4.2
122.05992	2.6
122.09657	10.7
122.10423	2.2
123.04418	8.5
127.03930	5.9
128.68411	2.0
132.08073	30.3
133.06487	8.1
136.07578	2.9
137.05966	12.8
138.06334	3.5
139.03880	5.6
145.04985	5.6
147.04401	3.8
149.06001	2.9
150.09122	63.0
151.03860	5.5
151.07512	25.9
151.11314	2.1
152.08354	3.5
158.99693	3.2
161.06006	2.7
165.05466	2.2
166.16116	2.0
168.10184	54.6
174.99263	4.2
176.98921	5.0
177.00632	2.9
179.08968	4.4
180.09122	3.8
186.07295	4.1
192.10191	3.4
195.07814	4.5
204.03369	2.3
210.40439	2.0
269.08243	2.2
312.14191	2.9
315.08539	3.1
330.10629	4.9
330.15735	13.8
331.08234	4.7
331.12317	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	330.1696
Annotation	Dehassiline
Peak:m/z	Relative Intensity
61.10595	0.4
66.12215	0.3
68.50031	0.4
71.01096	1.2
77.70063	0.4
91.05476	2.2
94.04173	0.9
95.04973	0.5
115.05436	6.7
119.04919	1.2
121.06535	0.4
122.03645	2.7
131.04840	0.5
133.38704	0.4
137.05959	41.4
138.06268	0.5
143.04901	20.2
145.06493	0.4
149.05998	0.6
149.08321	0.9
151.07536	4.3
159.98163	0.4
160.05144	2.4
160.07503	0.8
163.07503	0.9
167.08565	0.7
171.76620	0.4
175.07523	15.8
177.07829	15.9
178.08629	1.2
179.08411	1.9
181.06438	0.7
192.10164	100.0
193.10493	1.7
195.08005	1.4
207.08015	3.2
208.08647	0.4
223.07329	0.5
224.08195	0.6
227.10701	1.3
235.07440	1.9
237.23712	0.4
239.10616	2.3
241.08376	0.4
251.06967	0.4
252.07835	0.7
255.10175	0.9
267.10123	3.6
269.08124	0.5
284.10242	0.4
287.12738	0.7
299.12686	5.1
320.47427	0.4
330.16943	35.2
331.17203	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1173
Annotation	(2R,3R)-2-(Benzo[d][1,3]dioxol-5-yl)-5,7-dimethoxychroman-3-ol
Peak:m/z	Relative Intensity
50.37066	0.4
53.03934	0.7
55.05463	0.5
65.03945	0.6
66.04712	0.5
67.05466	0.8
69.03400	0.6
69.07047	1.3
69.44005	4.2
73.92610	0.4
77.03902	0.7
79.05488	4.2
81.03378	0.5
81.07039	1.2
83.08601	0.5
91.05470	5.1
93.07017	0.6
94.04163	1.2
95.04947	2.0
95.08585	0.9
98.98460	15.4
105.03389	1.2
107.04991	0.5
108.05717	2.2
109.06507	11.7
111.04420	0.5
119.04929	12.4
121.06485	1.1
123.11813	0.4
125.05965	1.5
131.04866	0.4
135.04405	42.8
137.05971	7.3
139.07515	3.9
147.04402	26.2
148.04877	0.6
149.05942	0.8
151.07539	2.1
153.05420	2.6
153.43126	0.4
155.07010	6.0
159.04448	0.5
162.06769	1.1
163.07492	0.8
165.09117	1.6
167.07027	100.0
168.07365	2.0
169.06493	0.5
174.99231	0.8
176.98775	0.6
177.05458	21.4
177.09105	0.8
178.05890	0.7
178.09846	0.9
188.93294	0.5
189.09149	1.3
193.08595	2.0
202.09915	1.0
205.08630	1.0
215.10611	0.6
217.12201	0.9
243.13834	0.7
245.08318	0.5
285.11246	0.5
313.10605	1.5
331.08078	1.6
331.11728	4.1
331.15311	1.1
331.18845	0.5
331.22711	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1174
Annotation	Pterolinus F
Peak:m/z	Relative Intensity
55.01863	5.2
55.05507	3.1
65.03918	6.7
67.05503	6.1
69.03432	6.4
69.39446	25.2
73.45278	2.6
79.05474	6.3
81.07056	9.2
83.04981	5.1
85.02863	3.0
86.57341	2.8
91.05483	33.4
93.07005	3.7
95.04976	8.6
95.08614	8.7
96.02097	4.9
97.06522	3.2
98.20727	3.8
98.98462	47.5
98.99055	4.4
103.05435	6.6
103.14308	3.2
105.03402	3.6
105.07024	9.2
107.04972	10.0
109.06512	4.6
111.04446	13.4
112.42664	2.7
115.05472	9.1
117.03365	3.5
119.04947	17.5
121.06515	10.5
122.03603	9.5
123.04443	3.6
123.11742	6.3
123.24133	3.3
128.06200	8.3
129.07004	21.6
131.04951	10.6
131.08568	5.4
133.06502	3.5
135.08064	6.8
136.05159	3.1
137.05974	89.4
139.03876	8.9
141.07011	9.8
144.05679	3.6
145.02834	7.3
145.06480	12.8
147.04372	6.2
149.05971	13.4
151.03899	6.6
151.07542	100.0
152.06174	6.8
153.05513	5.0
153.06972	9.9
154.07721	3.3
157.06497	18.0
158.07275	3.6
161.05968	19.9
163.07500	21.1
165.05656	4.6
165.06937	19.7
167.03394	5.7
167.07146	6.5
167.08571	17.1
168.05737	8.3
169.06474	13.8
169.09940	4.4
171.08015	7.6
173.05977	3.6
174.06772	13.8
175.07520	5.4
177.05484	10.3
177.06927	6.0
177.09157	5.6
178.07799	13.1
179.07094	3.4
179.08469	14.2
181.06429	18.5
181.10057	3.0
182.07272	6.9
183.08104	8.6
184.05170	3.7
185.05969	16.3
186.06706	6.7
189.09088	34.2
193.06497	11.0
193.10124	8.6
195.08046	29.5
196.05237	8.1
196.08835	4.5
197.05931	28.3
197.09624	8.0
198.06711	5.2
199.03917	4.0
199.07620	7.6
202.07770	4.4
206.07275	6.2
207.08081	13.2
207.10027	6.0
209.05946	7.4
209.09625	3.9
210.06725	17.0
211.07535	29.0
212.04604	4.4
212.08357	4.2
213.05434	3.4
213.09070	3.7
214.06256	14.1
221.06003	11.0
221.09622	19.0
223.07541	9.1
224.04662	4.0
224.08394	14.4
225.05525	25.0
225.09079	35.0
226.06238	11.0
227.07034	31.4
227.10599	25.4
228.07497	3.7
229.05016	13.6
235.07544	8.8
237.05356	4.6
237.09256	4.8
238.06186	10.6
239.07028	19.6
239.10614	6.0
240.07745	6.5
241.08513	4.7
242.05675	16.0
242.09270	3.9
249.09113	9.1
251.07092	4.4
252.07793	8.1
253.05031	6.6
253.08595	58.6
253.12314	15.2
254.05746	11.8
255.06485	45.7
255.10129	27.8
257.08084	10.6
257.11856	3.9
263.06897	3.9
267.06589	3.4
267.10147	12.5
269.08005	7.4
270.05118	6.6
270.08896	8.2
271.09625	13.0
272.06882	8.5
272.10211	4.9
281.08127	28.7
281.11728	9.5
282.08929	5.2
285.07559	90.2
285.11176	45.2
287.12747	39.6
299.09137	46.0
299.12500	5.9
313.10684	53.2
313.14301	15.1
316.09232	4.2
331.11777	80.8
331.15640	7.1
332.12051	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	331.1172
Annotation	(2R,3R)-2-(Benzo[d][1,3]dioxol-5-yl)-5,7-dimethoxychroman-3-ol
Peak:m/z	Relative Intensity
53.03919	1.2
55.01850	0.7
55.05487	1.5
56.32541	0.6
65.03921	1.0
66.04703	0.7
67.05481	0.9
69.03419	0.7
69.07041	0.6
70.11671	2.2
70.12085	1.5
77.03911	1.2
79.05482	5.5
81.03374	0.8
81.07026	2.9
86.93518	0.6
89.03891	0.7
91.05468	8.1
93.07009	1.0
94.04176	2.2
95.04944	2.5
95.08601	1.0
98.97860	1.2
98.98458	17.5
105.03383	1.8
105.04452	1.1
105.06993	1.0
107.04935	1.7
107.95913	0.6
109.05786	1.2
109.06499	17.8
109.07249	0.9
109.10133	0.8
113.31947	0.6
117.78967	0.6
119.04929	22.1
121.06509	1.1
122.77462	0.6
123.04458	0.7
123.11676	1.1
129.06940	0.9
131.08519	0.7
133.02832	0.8
135.04396	53.2
136.04739	1.1
137.05968	15.2
139.07516	1.7
145.06416	0.7
146.68951	0.6
147.04388	44.0
149.05965	1.9
151.07500	3.4
152.06160	1.2
153.05516	0.7
153.06914	1.8
155.07018	7.9
155.08318	1.2
157.06477	2.6
161.05956	1.2
163.07425	0.9
165.05460	1.8
165.06985	3.3
167.07019	100.0
168.05711	1.4
168.07336	1.3
168.71295	0.7
169.06474	0.9
171.08017	0.8
174.99144	1.1
175.04034	0.7
176.98897	1.0
177.05449	31.5
180.05557	0.7
181.06404	3.3
182.07233	1.6
183.07994	2.5
184.05150	1.0
185.05963	1.7
187.07626	0.9
189.09096	2.1
195.08044	1.7
196.05164	0.9
197.05916	2.5
198.06776	1.4
199.07457	1.4
209.05885	1.9
209.07903	0.8
210.06749	2.4
211.07440	3.3
212.08325	1.0
213.05426	1.8
214.06033	0.7
221.05948	1.1
223.07494	1.8
225.05623	1.2
225.09036	1.5
227.06967	1.7
227.10738	1.2
228.07771	2.0
230.05775	1.3
238.06277	1.6
239.06982	1.3
240.07559	1.0
241.04883	2.0
241.08466	0.8
243.06456	0.6
243.10136	1.2
245.08098	0.9
253.08601	2.1
253.12250	0.8
255.06447	1.3
255.10056	1.6
256.07135	1.3
257.07962	0.8
271.09634	2.5
273.07446	1.3
285.08130	0.8
285.11163	1.3
287.12613	1.7
288.09906	1.1
299.09189	1.6
313.10748	2.1
316.09143	1.7
331.08423	1.2
331.11719	31.7
331.15341	1.4
332.12021	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	331.1172
Annotation	Pterolinus F
Peak:m/z	Relative Intensity
51.74590	1.8
53.64185	1.7
55.01860	5.3
65.03922	5.7
65.77892	1.5
67.05485	4.1
69.03408	2.7
70.01580	5.4
70.01988	2.5
79.05448	2.1
81.03410	4.0
81.07026	3.8
83.04962	3.2
85.02886	4.0
91.05470	5.9
93.03423	2.7
95.04937	2.1
96.02080	4.2
98.98463	23.6
103.05465	2.4
105.06975	3.4
107.04941	3.9
107.08588	3.0
109.02872	3.5
111.04433	16.3
115.05433	5.8
119.04900	2.9
121.06523	2.1
121.10169	3.1
121.11184	1.6
123.04391	2.6
128.06226	4.0
129.07004	6.0
131.04932	2.7
135.11705	1.4
137.05946	8.7
139.03888	10.6
141.06958	10.7
145.06467	9.4
147.04407	5.3
147.08119	1.6
149.05968	3.5
151.03975	2.0
151.07542	4.9
151.11198	3.7
152.06194	4.4
153.05789	2.1
153.06955	8.2
154.07759	3.5
155.04836	2.2
155.06073	1.9
155.08562	3.1
157.06506	5.6
158.07257	4.3
161.05936	4.2
165.07010	7.8
165.09148	2.1
167.03387	7.1
167.07080	2.1
167.08475	2.9
168.05644	10.5
169.06427	15.4
169.10031	4.2
170.07310	2.9
171.08044	4.6
173.05940	3.7
174.06754	3.2
175.07469	3.0
177.05452	4.2
178.07744	6.3
179.08542	13.0
181.06438	12.9
182.07195	4.7
183.07993	8.5
184.05194	5.6
185.05945	19.8
186.06671	10.3
189.07056	2.8
189.09100	1.8
195.08127	4.6
196.05141	8.1
196.08797	3.1
197.05975	26.1
197.07776	2.7
197.09619	10.6
198.06702	5.5
199.03879	4.6
199.07593	8.4
206.07257	2.8
207.04523	2.0
207.08124	13.6
208.05313	3.1
209.05835	8.1
210.06775	7.7
211.07498	22.0
212.04668	6.1
212.08211	2.0
213.05516	6.6
213.08969	1.8
214.06145	9.8
221.09645	3.7
223.07494	2.2
224.04723	3.8
224.08334	13.6
225.05482	25.2
225.09013	24.7
226.06189	12.3
227.06989	35.6
229.04922	14.1
229.08511	3.9
235.07503	11.1
238.06293	5.1
239.06981	14.8
239.10777	5.8
240.07507	2.2
241.04895	4.2
241.08600	2.6
242.05681	16.4
242.09384	3.2
243.06441	2.2
244.07352	2.6
246.04605	1.9
249.09128	3.3
252.04271	2.7
252.07791	3.0
253.04984	6.8
253.08583	46.4
254.05696	16.2
254.09383	3.0
255.06461	33.6
255.10390	2.3
256.07159	3.5
257.04514	4.0
257.08057	9.2
257.11658	4.0
267.07794	3.2
267.10287	6.9
269.04407	1.9
269.08182	2.1
270.05200	6.4
270.08838	9.2
271.09650	12.9
272.06854	8.1
281.08032	26.7
282.08749	8.2
285.07608	100.0
285.11182	27.5
286.08029	5.2
287.12650	2.9
295.09683	2.6
299.09091	59.9
303.12073	2.7
313.10776	59.8
313.14392	3.8
314.10864	2.2
316.09085	8.1
331.11761	78.2
332.12329	3.8
350.00211	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1283
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
53.03957	0.6
67.05489	0.8
69.03426	1.6
70.92870	1.6
71.04977	0.8
79.05507	1.3
81.03406	0.8
81.07059	1.2
83.05001	0.7
85.02914	0.9
91.05478	2.9
93.07028	0.7
95.04968	1.0
95.08619	0.5
97.02908	0.6
98.98461	22.9
100.98884	0.7
103.05448	0.7
105.06995	0.7
105.70378	0.5
107.04978	0.8
107.08602	0.7
109.02861	1.5
109.06494	0.6
109.10143	0.6
110.06054	0.8
115.05492	0.7
116.99507	0.9
119.04994	0.8
119.83553	0.5
120.08112	0.9
121.10074	0.5
123.08059	1.1
123.11713	1.9
124.31625	0.5
125.08372	0.9
127.03886	0.8
129.07008	1.1
133.10155	0.8
137.05974	10.6
138.06297	3.4
143.04918	1.8
144.05310	1.5
145.06572	0.6
147.04410	1.7
149.06012	1.8
151.03917	1.0
151.07500	3.1
151.11180	1.2
153.07008	1.2
157.06511	0.8
161.05992	0.6
163.03922	0.6
163.07552	1.3
165.05486	4.5
165.07004	1.5
167.08479	0.8
168.05684	0.9
169.06458	0.8
169.09811	1.2
169.12192	0.6
174.06715	0.7
174.99315	1.1
175.07576	1.5
176.07906	1.9
176.98997	1.4
177.05498	0.6
177.07858	0.9
178.08197	0.7
179.07072	0.7
181.05063	0.6
181.06528	1.7
183.08099	1.8
185.06047	1.3
188.03777	2.6
189.09079	1.2
192.10190	7.5
193.10551	10.5
195.08043	1.0
196.05273	0.6
196.09990	2.0
197.06010	1.1
210.06752	1.0
211.07512	1.3
211.12366	1.4
212.09689	0.7
213.05492	0.6
218.83176	0.6
221.06093	0.5
223.07341	0.6
224.09444	1.5
225.10185	2.4
226.11069	1.6
227.07091	1.2
227.10654	1.0
228.07707	0.9
238.06374	0.7
238.11156	0.6
239.11777	36.1
240.12419	1.4
241.05150	0.6
241.13536	0.7
253.08966	0.7
253.12184	1.0
254.10698	0.9
255.06569	0.6
255.10266	0.8
266.10477	4.6
267.11273	56.4
268.11621	2.3
271.09418	0.7
281.08240	0.8
282.41095	0.6
285.07550	1.4
285.12289	5.2
287.12918	1.2
290.05136	0.6
290.20047	0.5
295.10757	31.0
296.11182	1.4
299.09244	0.9
300.13107	0.9
313.11774	27.9
316.09106	1.1
331.12860	100.0
331.17130	6.9
332.08646	0.7
332.13107	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	331.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
53.86141	1.8
55.01862	2.4
59.71688	1.5
65.03930	5.7
69.03423	3.2
69.32428	3.6
69.32832	16.4
73.43724	1.7
77.03914	1.7
77.68130	1.9
79.05481	5.4
81.07040	7.1
82.60636	2.0
83.04964	1.8
85.02885	2.0
89.73589	1.6
91.05473	32.9
93.07017	2.7
94.04218	2.7
95.04965	10.9
95.08601	3.8
96.02110	2.4
98.20773	2.8
98.98455	31.4
102.69506	2.0
103.05433	4.1
105.07011	5.1
107.01300	1.8
107.04934	9.8
107.08606	1.9
109.02854	2.3
109.06480	5.7
111.04449	9.8
114.54855	1.8
115.05437	5.6
117.03348	3.1
117.07016	3.7
119.04934	17.3
121.06499	9.8
122.03661	13.3
123.04440	2.4
123.08077	2.9
123.11651	4.4
125.05949	1.7
128.06227	11.1
129.07013	20.5
131.04926	10.0
133.06476	3.8
135.04442	1.9
135.08014	5.9
136.05226	5.3
137.05965	95.8
138.06223	1.8
139.03909	3.6
140.06224	1.7
141.06976	7.3
144.05606	2.2
145.02852	8.1
145.06502	9.0
146.07211	3.5
147.04446	2.7
147.08012	2.5
149.05942	14.9
151.03955	4.6
151.07529	100.0
152.06219	4.3
153.06978	6.2
154.07707	4.3
155.08447	2.0
157.06432	18.3
158.07248	2.7
161.05975	18.2
161.09641	4.7
163.03947	2.4
163.07524	20.4
165.05577	2.9
165.06966	18.5
165.09103	6.2
165.12364	2.0
166.07710	3.9
167.03445	3.6
167.07054	4.7
167.08542	21.0
168.05687	6.4
169.06386	9.2
169.09952	3.1
171.08026	4.1
173.05952	3.9
174.06734	8.3
175.07518	5.6
177.05479	13.4
177.06841	3.2
177.09035	4.1
178.07790	10.0
179.08542	6.5
181.06456	16.7
181.08055	2.4
182.07274	8.9
183.08054	6.0
184.05202	2.3
185.05959	8.8
186.06697	3.6
187.07494	3.5
189.09094	38.2
191.08636	1.9
193.06476	11.0
193.10080	11.0
194.07187	2.1
195.08052	28.0
196.05185	5.3
196.08879	3.9
197.06006	15.8
197.09601	5.0
198.06676	4.0
199.07518	4.9
203.08580	3.6
205.06566	2.6
206.07248	3.8
207.08046	8.9
207.10178	6.2
209.05914	7.6
209.09554	5.0
210.06731	13.2
211.07510	18.1
212.04713	2.7
212.08258	7.7
213.05388	6.5
213.09087	3.7
214.06236	6.8
219.07956	2.3
221.06044	10.3
221.09575	16.2
223.07510	12.8
224.08295	9.9
225.05545	13.5
225.09064	19.7
226.06180	6.8
227.07065	21.1
227.10628	36.8
228.07716	3.1
229.04968	6.7
229.08482	2.2
231.08092	2.9
234.06703	2.6
235.07492	5.3
237.05519	3.5
237.09171	3.4
238.06201	7.6
238.09805	4.4
239.07004	11.5
239.10677	5.1
240.07678	5.6
241.04915	4.1
241.08533	5.6
242.05760	7.7
242.09290	2.3
249.09099	6.7
251.06964	3.2
252.07892	3.4
253.04814	2.8
253.08597	35.1
253.12144	16.3
254.05728	7.8
255.06476	23.7
255.10152	32.5
257.04489	3.1
257.08057	6.4
257.11603	2.3
267.10135	10.5
269.08017	6.8
269.11655	2.6
270.08829	8.3
271.09711	5.6
272.06641	3.6
272.10370	2.9
281.08084	12.3
281.11655	7.9
282.09012	3.4
284.10205	2.8
285.07538	43.7
285.11154	34.7
287.12744	42.7
299.09116	21.3
299.12595	3.3
313.10660	25.9
313.14288	14.3
314.10898	2.8
316.08841	2.5
331.08612	2.4
331.11700	51.8
331.15384	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	331.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81778	1.9
58.88296	1.6
65.03917	1.9
65.70083	2.0
69.04180	1.9
70.68102	6.1
74.91097	1.8
79.05476	4.9
81.07030	2.9
83.04971	1.9
91.05461	30.0
93.07038	2.3
94.04205	3.6
95.04948	5.0
98.98442	16.0
103.05450	5.7
105.07028	4.5
107.04913	11.8
109.06506	5.0
115.05432	3.5
119.04923	24.9
121.06470	10.0
122.03641	9.1
128.06186	4.5
129.06995	13.4
131.04884	6.6
133.06535	2.1
135.08022	7.5
136.05150	3.1
137.05965	100.0
138.06284	12.7
141.06995	2.1
143.04907	7.3
144.05237	6.6
145.06429	3.3
146.03593	2.1
146.07292	2.0
149.05962	18.5
151.07530	98.6
152.06140	3.4
157.06476	13.1
161.05972	28.5
161.09599	5.8
163.07552	27.8
165.06970	12.9
165.09119	4.4
166.07762	3.6
167.08553	19.3
169.06461	3.2
174.06743	6.6
175.07515	7.8
176.07951	5.6
177.09206	2.1
178.07753	8.4
179.08492	2.0
180.81052	1.8
181.06499	3.5
182.07275	5.2
189.09084	42.8
192.10228	27.3
193.06598	8.6
193.10489	43.3
194.07207	2.0
195.08037	24.8
196.08670	2.8
197.05920	4.3
202.07640	1.8
207.08345	2.0
207.10117	10.3
209.05908	3.3
209.09497	4.2
210.06746	7.0
211.07539	4.0
212.08365	2.8
220.08788	2.2
221.06038	8.7
221.09601	11.7
223.07466	10.7
224.08321	4.5
225.09132	11.8
227.10648	28.6
234.06673	2.3
237.09094	5.2
238.06209	4.9
238.09837	2.6
239.06903	4.1
240.07762	4.1
241.08443	2.7
249.09090	6.0
252.07732	2.1
253.08606	13.2
253.12241	16.3
255.06448	2.2
255.07304	2.1
255.10155	30.8
257.07968	2.1
267.10217	5.0
268.10477	1.9
269.08063	5.4
269.11545	3.3
272.10403	4.7
281.11676	8.5
284.10345	2.3
285.11154	23.3
287.12750	42.6
299.12558	2.4
300.12982	4.0
301.14365	2.1
313.14319	15.7
331.17459	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	331.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.2
65.03923	2.3
65.92418	1.5
67.05493	1.8
69.40327	9.9
69.40738	3.2
70.53240	1.4
74.31442	1.6
79.05463	4.4
81.07048	3.5
91.05470	36.4
93.07056	1.4
94.04147	4.0
95.04981	8.4
97.02882	1.6
98.98453	20.2
103.05450	5.1
105.06997	4.4
107.04934	8.3
109.06501	7.2
115.05414	1.9
117.07064	1.6
119.04928	19.8
121.05746	1.2
121.06474	8.1
122.03634	10.0
123.04408	1.7
123.07966	1.8
128.06207	5.0
129.06993	18.3
131.04858	7.1
131.08534	1.8
133.06450	1.7
134.60040	1.3
135.08046	6.1
136.05148	4.2
137.05960	93.3
138.06284	4.5
143.04929	2.6
145.06470	5.5
146.03612	1.4
147.04372	2.6
149.05954	12.9
151.03941	3.4
151.07526	100.0
152.06158	2.7
152.07866	2.0
153.06961	2.9
157.06476	15.4
158.07175	1.9
159.08092	1.6
161.05954	17.8
161.09575	4.5
163.07524	23.0
165.06979	17.6
165.09093	3.5
166.07753	4.5
167.07227	2.5
167.08533	19.4
173.48254	1.5
174.06682	9.5
175.07503	5.8
177.05528	1.5
177.09081	3.9
178.07753	10.1
179.08519	3.3
181.06487	7.4
181.10107	1.5
182.07198	4.0
188.03693	5.6
189.09093	34.6
192.10146	2.9
193.06480	7.0
193.10208	11.8
194.07233	3.2
195.08046	26.4
196.08720	2.4
197.05966	7.5
197.09605	2.6
203.08488	3.8
205.06519	1.6
207.08244	1.6
207.10159	6.2
209.05818	2.4
209.09644	5.3
210.06757	11.6
211.07468	6.4
212.08231	5.9
212.64842	1.5
213.09219	1.6
221.06029	9.7
221.09552	15.0
223.07542	14.3
224.08299	5.5
225.05493	3.1
225.09085	13.6
225.69705	1.7
227.07062	2.8
227.10632	30.4
235.07436	2.4
237.08974	1.7
238.06139	4.1
239.07011	2.7
239.10844	2.1
240.07735	4.7
241.08440	2.3
241.12355	1.9
249.09074	6.3
252.07758	3.1
253.08594	16.6
253.12228	21.3
255.06299	2.0
255.10155	29.8
267.10251	6.9
269.08041	4.9
269.11545	2.5
270.08902	2.2
272.10300	5.1
281.11716	5.8
285.11197	21.0
287.12744	43.1
298.12042	2.6
301.14423	2.4
313.11200	1.7
313.14365	10.8
331.11951	8.1
331.15436	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.2
55.01864	2.8
55.05519	1.0
57.03429	1.2
57.32325	1.0
67.05495	2.4
69.03417	2.0
71.52569	1.6
79.05507	5.6
79.64011	1.1
79.68404	1.0
81.03417	1.5
81.07041	5.0
83.04988	2.4
84.04503	2.1
85.02915	1.9
89.03893	1.1
91.04897	1.7
91.05474	36.7
93.07022	2.2
94.04180	4.2
95.04972	7.5
95.08584	2.1
98.98457	25.9
103.05445	5.8
105.07010	7.2
107.04951	8.7
109.06511	5.7
109.10176	1.2
111.04404	1.5
111.08033	1.1
115.05453	3.9
117.07059	2.6
119.04939	23.8
121.06496	9.5
122.03628	11.4
123.04418	2.0
123.11697	4.2
125.07098	1.5
128.06206	7.2
129.07005	20.6
129.17535	1.1
131.04950	8.2
131.08505	1.3
132.05630	1.0
133.06482	3.2
134.03578	1.4
135.04408	2.2
135.08041	6.3
136.05180	3.4
137.05968	98.7
141.07010	1.0
143.04924	2.3
143.08594	1.2
145.06485	4.7
146.03569	2.1
146.07291	1.5
147.04358	1.9
147.08041	1.7
148.05171	1.6
149.05981	17.1
151.03951	5.5
151.07532	100.0
151.11128	2.8
152.06215	6.7
152.07906	1.5
153.07024	4.7
154.07755	1.3
155.06033	1.2
155.08646	0.9
157.06470	16.6
158.07292	1.8
161.05984	15.9
161.09564	5.4
162.06694	2.4
163.03946	1.5
163.07535	26.0
165.06969	20.3
165.09035	5.8
165.58131	1.0
166.07726	3.6
167.07103	2.4
167.08530	19.0
168.05705	2.1
169.06462	4.0
169.09779	3.1
169.12253	1.6
171.08035	1.5
174.06714	7.9
174.99295	1.2
175.07509	4.8
176.99002	1.6
177.05428	2.5
177.06934	2.3
177.09102	2.6
178.07777	7.5
179.08545	3.4
181.06464	9.2
181.10081	1.6
182.07217	5.2
183.08044	5.0
184.08829	1.9
185.05960	1.9
187.07391	1.4
188.03812	1.6
189.09090	36.1
191.08594	2.0
191.10568	1.1
192.09328	3.0
193.06435	9.3
193.10165	10.0
194.07242	3.5
195.08035	29.4
196.05103	2.1
196.08739	4.2
197.05922	8.5
197.09607	2.5
198.06792	2.0
202.07733	2.5
203.08557	3.9
205.06544	2.1
206.07307	3.0
207.08040	2.7
207.10208	6.4
208.05061	1.3
209.05809	5.1
209.09612	4.8
210.06734	15.0
211.07535	6.7
212.08255	6.6
213.09045	2.2
219.08018	1.7
221.06006	10.9
221.09547	14.3
222.06778	1.7
223.07532	11.9
224.08301	4.5
225.05461	3.4
225.09039	13.3
226.06204	1.9
227.07312	4.7
227.10655	33.5
228.11064	1.2
229.08557	1.6
234.06860	1.3
235.07492	2.0
237.05435	1.8
237.09164	4.9
238.06224	9.3
238.09854	2.0
239.06978	4.3
239.10674	2.0
240.03787	1.4
240.07718	5.8
241.08577	2.8
241.12276	1.4
249.09100	7.8
251.07048	2.2
252.07808	3.1
253.08598	17.6
253.12244	16.2
254.09233	2.3
255.06531	4.4
255.10127	35.5
257.08038	1.5
267.10110	6.5
269.08072	7.6
269.11407	1.4
270.08725	3.6
271.09680	2.8
272.10510	4.8
281.08606	1.0
281.11597	7.0
284.10373	2.2
285.08228	1.7
285.11179	25.6
287.12741	47.4
288.09976	1.2
288.13181	2.2
298.12189	1.3
299.05466	2.1
299.12631	2.0
301.14322	1.7
313.07950	1.4
313.14319	17.0
314.03732	1.7
316.09103	5.3
331.08054	5.9
331.11682	23.8
331.15390	6.8
332.12042	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.0
65.03959	1.8
67.05463	1.4
69.41367	11.4
79.05506	3.3
81.07044	3.4
90.43044	1.3
91.05473	33.4
94.04160	4.1
95.04945	6.5
98.98460	17.3
103.04872	1.2
103.05476	6.0
105.07034	7.4
107.04935	7.6
109.06517	6.3
111.04468	2.5
115.05438	2.3
117.06963	2.6
119.04931	20.3
121.06505	12.6
122.03627	11.2
123.04425	2.7
128.06248	4.1
129.07002	20.0
131.04922	7.7
131.08643	2.1
133.06482	2.4
135.04401	3.2
135.08043	6.7
136.05194	5.0
137.05974	94.5
139.05247	1.4
143.04941	2.6
145.06491	3.9
146.07350	1.4
147.04405	3.4
148.05200	1.7
149.05972	13.3
151.03888	4.9
151.07535	100.0
152.06232	5.1
153.06995	4.8
157.06459	16.6
161.05974	15.8
161.09636	4.9
163.03920	1.9
163.07538	22.0
165.06996	18.0
165.09164	4.0
166.07806	3.2
167.07176	2.3
167.08536	18.5
169.06483	4.9
174.06789	7.5
175.07555	4.2
176.98943	2.1
177.05435	1.6
177.06967	2.2
177.09126	3.8
178.07784	8.1
179.08537	3.8
180.05826	1.4
181.06493	5.8
182.07210	4.6
183.08012	3.9
185.05887	1.6
187.07451	1.6
189.09108	34.2
191.08519	2.3
192.09383	1.8
193.06474	9.2
193.10080	11.3
194.07175	3.3
195.08044	31.8
195.53120	1.9
196.05145	1.7
196.08803	2.7
197.05959	9.3
197.09647	2.9
198.06741	2.6
199.07468	2.6
202.07774	2.1
203.08612	4.6
205.06514	1.8
206.07245	2.7
207.08241	2.2
207.10179	5.1
209.05959	3.3
209.09615	4.9
210.06757	13.8
211.07523	8.7
212.08255	5.6
213.05579	2.9
213.09052	2.3
220.08801	2.3
221.06030	13.0
221.09592	13.0
222.06639	1.9
223.07458	11.7
224.08333	4.6
225.05592	2.6
225.09132	17.1
227.07030	5.2
227.10641	29.1
228.07832	2.4
230.05574	1.6
237.05408	3.0
237.09109	3.4
238.06200	9.9
238.09810	2.5
239.06972	3.9
239.10727	2.6
239.79564	1.3
240.07816	5.1
241.08592	3.8
249.09143	7.8
252.07806	2.4
253.08559	19.6
253.12225	17.1
255.06532	2.6
255.10153	34.5
267.10190	6.9
269.08139	6.5
269.11707	1.4
270.08636	2.5
271.06354	1.8
271.09625	3.7
272.10464	4.4
281.11682	9.0
284.10297	1.9
285.11166	23.3
287.12766	48.5
288.10114	2.2
288.13245	1.8
298.11951	2.3
313.14322	11.4
331.04721	1.8
331.11740	32.4
331.15439	7.6
332.12167	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01859	3.1
55.05493	2.3
65.03934	2.2
67.05469	4.3
69.03418	7.7
69.55910	13.6
79.05472	5.6
81.03407	1.8
81.07060	8.8
83.04929	2.3
83.08607	2.1
91.05474	36.2
93.07047	4.1
94.04158	3.7
95.04948	9.4
95.08585	6.6
97.02898	1.8
98.98450	40.7
99.04445	1.9
103.05444	11.2
105.07016	8.3
107.04934	11.9
107.08569	4.6
109.02872	4.1
109.06496	6.9
109.10138	2.5
115.05429	3.3
117.07040	2.6
119.04919	20.0
119.08615	1.7
121.06480	9.6
121.10139	3.0
122.03622	8.9
123.04413	4.1
123.08027	1.9
123.11668	4.9
125.06001	2.8
128.06203	6.8
129.06984	16.9
131.04869	8.4
131.08510	3.3
133.02837	1.9
133.06479	5.7
133.10109	3.5
133.14026	1.5
135.04384	3.1
135.07994	10.3
135.11667	3.6
136.05156	5.4
137.05962	100.0
139.03894	2.4
141.07011	3.2
143.04893	3.0
145.06482	6.5
146.03630	2.4
147.04451	3.4
147.07970	2.0
149.05974	23.3
149.13226	2.1
151.03897	9.9
151.07524	99.3
152.06177	6.6
153.05571	2.5
153.06996	7.1
154.07774	2.3
155.08548	3.3
157.06451	19.4
159.04428	2.4
161.05960	18.8
161.09621	5.3
162.06702	2.7
163.07526	29.4
164.08264	6.2
165.05469	32.9
165.06982	20.8
165.09117	4.4
166.07791	2.3
167.07039	8.5
167.08554	21.4
168.05685	3.5
169.06421	4.3
174.06749	6.7
175.07544	7.0
175.14777	1.9
176.98837	1.7
177.05444	9.3
177.06885	3.4
177.09097	2.4
178.07747	5.4
179.06993	5.4
179.08533	4.3
181.06454	12.6
182.07272	8.1
183.08025	8.1
185.05965	4.5
187.07471	2.0
189.05391	3.9
189.09082	35.7
191.06963	8.5
193.06575	8.4
193.08554	5.0
193.10062	9.0
194.07286	5.1
195.08020	31.7
196.05194	3.6
196.08801	3.2
197.05957	12.8
197.09561	2.3
198.06689	5.0
199.07504	2.8
203.08614	2.7
205.08461	1.9
207.10182	5.9
209.05952	6.4
209.09636	6.5
210.06720	16.1
211.07549	14.0
212.08383	8.1
213.05492	4.3
213.09058	2.8
214.06247	4.2
215.06830	1.8
221.05983	12.4
221.09622	11.6
223.07510	10.8
224.04608	2.3
224.08191	6.4
225.05458	3.9
225.09094	14.0
226.06287	3.3
227.06992	6.6
227.10620	34.6
228.07680	2.6
229.08667	1.9
230.05740	2.1
235.07521	2.0
237.08951	2.6
238.06245	10.1
238.09724	1.8
239.06982	7.3
239.10559	2.3
240.07762	5.2
241.04904	3.4
241.08543	5.8
241.12224	2.3
242.05763	2.0
242.09044	2.3
243.10138	5.4
249.09109	6.5
251.06932	1.8
252.07693	3.1
253.08577	19.0
253.12175	18.2
254.09229	2.4
255.06474	5.8
255.10129	36.7
256.07208	4.2
257.08090	3.0
257.11728	2.2
267.10120	6.2
269.08032	5.6
269.11765	3.2
270.08752	3.9
271.09583	5.1
272.10471	6.2
281.08096	4.8
281.11691	5.4
285.11176	23.0
287.12747	40.4
299.09076	3.5
313.10648	12.3
313.13821	12.2
313.18048	7.4
331.08228	3.7
331.11722	76.1
331.15305	8.6
331.19040	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	331.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66204	1.1
55.01857	1.4
55.05481	2.4
65.03914	1.8
67.05499	2.4
69.03408	1.9
69.07062	2.7
70.46534	2.1
70.46886	3.6
71.04958	2.1
77.11222	1.1
79.05477	3.9
81.03407	2.5
81.07044	6.8
83.04978	1.5
84.88752	1.1
91.05474	15.5
93.07038	2.2
93.91747	1.2
94.04205	1.3
95.04945	5.4
95.08585	3.5
98.98457	64.7
100.29792	1.2
103.05444	3.5
105.07016	3.2
106.60716	1.5
107.04928	4.1
107.08568	2.9
109.02862	2.8
109.06481	2.1
109.10136	2.5
111.04420	1.5
115.05479	1.8
116.99460	1.8
117.07066	1.9
119.04922	8.7
119.08561	2.0
121.06484	4.3
122.03609	3.0
123.04451	3.0
123.08085	2.0
123.11653	6.5
127.03889	2.6
128.06203	3.6
129.06973	9.2
131.04910	4.3
131.08582	2.2
133.06419	2.0
135.08029	3.6
136.05125	1.9
137.05957	43.6
140.06100	1.4
141.06984	3.5
143.04875	3.2
145.06442	3.2
147.04395	2.1
147.11662	1.5
148.05125	1.3
149.05882	5.9
151.03891	5.0
151.07527	39.5
151.11201	3.3
152.06154	6.2
153.05560	1.9
153.06989	7.6
154.07722	1.9
155.08530	2.9
157.06474	8.9
161.05995	8.5
163.07542	9.2
165.06984	15.5
165.09073	3.0
166.07724	1.9
167.07054	4.5
167.08539	8.3
168.05716	5.4
169.06462	4.3
169.09790	2.5
170.07190	1.5
171.07928	1.3
174.06757	3.4
175.03979	1.8
175.07567	3.3
175.32872	1.2
176.98924	3.6
177.05499	3.0
178.07837	4.1
179.08521	1.6
181.06413	8.8
182.07204	7.7
183.08041	7.0
185.05998	5.6
188.03687	1.5
189.09056	13.6
193.06453	4.0
193.10245	5.4
194.07240	3.4
195.08035	12.7
195.11662	1.4
196.05182	5.0
197.05844	7.6
198.06798	2.8
199.07510	3.5
205.06494	1.3
207.08128	1.7
207.10118	2.2
208.05191	5.7
209.05595	13.9
210.06732	12.2
211.03928	1.2
211.07445	15.0
212.04538	1.7
212.08238	4.0
213.05322	6.5
213.09056	1.8
214.06201	2.8
216.08559	2.1
217.08846	1.3
221.06023	5.7
221.09575	5.4
223.03825	1.8
223.07472	7.9
224.04710	2.2
225.05348	3.7
225.09035	7.7
226.06186	3.5
227.06989	5.2
227.10631	12.3
228.07666	6.0
230.05634	3.0
237.05287	4.4
238.06155	9.3
238.09781	1.9
239.07069	4.1
240.07794	3.8
241.04869	6.5
241.08546	4.0
242.09492	1.4
243.06564	1.3
243.10191	2.4
244.07927	1.5
249.09198	3.5
253.08456	11.4
253.12314	6.6
254.05692	1.5
255.06407	7.3
255.10063	12.3
256.07318	5.6
257.08145	1.9
258.04721	2.5
267.10172	2.3
269.08078	4.0
270.08475	10.8
271.06857	2.8
271.09686	11.9
272.07080	2.0
272.10236	3.5
273.07352	3.1
281.08176	2.8
281.11594	2.2
283.05640	1.7
284.06677	2.1
285.08206	4.4
285.11328	9.9
287.12701	18.2
288.09634	2.0
295.07092	2.0
299.09167	6.4
301.06918	2.8
302.11539	1.5
313.08047	9.5
313.14395	5.3
316.05823	1.6
316.08945	28.0
331.08536	5.7
331.11679	100.0
332.12067	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04412	1.9
69.44397	18.3
75.59449	2.2
79.05483	5.4
81.07037	2.6
91.05470	30.9
94.04142	4.3
95.04960	6.6
97.39709	2.1
98.98458	28.9
101.20603	2.0
103.05452	5.5
105.06990	5.5
107.04925	12.7
108.74322	2.0
109.06500	6.2
115.05431	6.3
117.07025	4.0
119.04938	17.0
121.06484	8.6
121.28135	2.0
122.03625	7.8
128.06224	3.4
129.07008	16.2
131.04927	5.9
133.06439	3.9
135.04391	3.5
135.08043	7.2
136.05202	2.9
137.05965	100.0
138.06296	16.2
143.04904	10.0
144.05194	10.9
145.06453	4.4
149.05971	14.6
151.03889	2.8
151.07529	96.0
151.09377	3.6
152.06149	4.2
152.07881	4.9
157.06494	14.4
161.05971	25.1
161.09663	4.2
163.03862	2.9
163.07527	23.4
165.07033	11.8
165.09140	6.0
167.08556	19.2
174.06770	6.1
175.07509	8.8
176.07892	9.3
177.07814	6.5
177.09189	2.3
178.07915	9.3
179.08635	3.7
181.06432	4.7
182.07378	3.4
188.03709	3.2
189.09103	32.0
192.10217	42.6
193.06485	5.8
193.10512	60.4
194.07201	3.0
195.08034	27.0
196.08705	3.0
197.05963	6.8
207.10172	7.7
209.05818	4.3
209.09711	4.0
210.06767	7.2
211.07547	3.9
212.08313	5.5
221.05954	8.9
221.09589	10.3
223.07472	12.0
224.08224	4.2
225.09067	7.7
227.10628	30.3
236.07857	3.1
237.09166	4.4
238.06268	5.9
238.09853	2.8
239.06841	3.1
239.10805	2.2
240.07741	2.9
241.12180	2.8
249.09061	6.2
252.07787	3.7
253.08615	11.0
253.12273	15.6
255.10132	34.9
267.10181	5.8
268.10385	2.4
269.08145	3.9
270.08780	2.9
272.10376	5.1
281.11700	5.4
285.11240	21.4
287.12750	42.1
288.13141	3.1
300.13049	6.5
313.14374	11.1
331.11435	7.1
331.17413	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1746
Annotation	Epijasminoside A
Peak:m/z	Relative Intensity
50.91398	0.7
53.03936	1.7
55.01863	1.0
55.05504	24.0
56.87682	0.7
57.03433	1.5
59.04990	0.8
61.02910	1.7
61.77417	0.8
62.89892	0.9
67.05496	2.6
69.03413	7.0
69.07069	1.1
69.64326	4.6
71.04986	3.9
72.25951	0.7
73.02921	1.0
75.83147	0.8
77.88771	0.8
79.05487	1.5
81.03401	4.8
81.07051	6.0
83.04969	34.1
85.02885	15.4
91.03945	1.1
91.05461	1.3
93.07076	0.9
95.04948	2.0
97.02895	6.0
97.06519	3.6
98.20808	0.8
98.98458	34.4
99.04423	1.6
105.07030	1.8
107.08572	4.9
109.02882	3.4
109.06490	1.9
109.10146	16.8
111.04446	0.7
116.99520	1.3
123.04424	1.1
123.11684	3.8
127.03926	3.7
131.04997	0.7
131.70950	0.7
133.10100	1.3
137.05968	1.2
139.03870	1.0
142.51428	0.7
145.04947	1.1
151.11165	100.0
152.07007	1.3
152.11485	2.3
163.03839	1.2
169.12207	3.5
174.99258	1.3
176.98878	3.0
180.06525	2.0
188.03741	2.3
313.16382	0.9
331.08078	1.8
332.11346	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.19
Annotation	3-(4'-Geranyloxy-3'-methoxyphenyl)-2-trans propenoic acid
Peak:m/z	Relative Intensity
51.02377	1.4
55.05495	4.5
57.07064	14.7
67.05489	8.3
69.07057	12.7
69.42886	11.4
71.08620	8.4
75.04407	1.3
79.05482	4.3
80.79651	1.3
81.07046	41.6
83.08604	4.9
85.09711	1.4
85.10156	7.7
91.05464	4.3
93.07039	4.3
95.04965	1.9
95.08593	14.5
97.10153	3.2
98.98457	100.0
100.14841	1.4
100.98880	3.1
105.07027	3.0
107.08593	3.0
109.10149	14.8
111.11732	2.1
116.99512	4.5
121.06510	11.4
121.10196	2.0
123.11726	5.0
125.13255	1.3
127.03908	1.6
129.06976	1.5
135.08055	3.8
137.05936	3.2
137.13170	1.7
147.04321	1.7
149.05975	19.5
151.07541	4.5
153.01825	1.9
153.05507	2.3
155.08505	3.1
159.08139	1.9
161.05989	4.2
162.06767	1.8
163.07552	6.1
164.04642	1.4
165.09131	3.8
167.06892	1.5
172.08800	4.7
173.09630	2.3
174.99208	3.1
175.07507	7.6
176.98918	6.0
177.05489	17.5
177.09091	3.9
178.09894	1.8
183.07991	2.1
187.07500	3.4
187.11142	2.4
189.09091	7.9
191.07082	2.0
191.10593	7.2
193.08607	2.8
193.10292	2.1
199.07495	1.6
201.08989	7.2
202.09746	1.9
203.10680	5.0
205.08426	1.7
209.08011	8.6
211.14839	2.8
215.10658	23.0
229.08566	4.3
229.12086	3.2
230.40855	1.6
233.08028	2.5
237.11255	2.1
239.23659	2.8
243.10135	9.9
247.09573	1.7
249.11256	1.7
253.15364	1.7
256.14474	2.3
257.11719	2.4
258.56360	1.5
261.11188	2.7
271.16928	35.9
275.12741	8.0
299.16370	12.9
301.03452	3.7
313.27359	8.7
316.05704	3.1
331.08011	12.9
331.11429	2.1
331.15121	1.9
331.18927	5.7
331.34009	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.05498	13.1
57.07059	7.3
65.03894	2.3
67.05497	17.4
69.03419	2.0
69.07059	78.2
69.87306	3.3
69.87714	5.7
71.04977	2.5
76.68608	1.6
79.05479	11.1
81.06584	2.9
81.07045	38.6
83.04981	2.4
83.08598	6.5
85.06532	3.9
91.05460	20.1
93.07035	27.1
94.04163	1.8
95.04948	4.9
95.08597	40.2
97.02863	2.5
97.06506	4.8
97.10146	4.7
98.98455	86.1
103.05443	3.0
105.07024	23.2
107.04936	7.6
107.08575	27.0
109.06503	5.3
109.10140	28.7
110.03645	2.9
111.04382	1.8
111.08044	1.9
111.11715	4.1
116.99462	3.4
117.06982	3.1
119.04924	4.9
119.08566	19.8
121.06493	8.2
121.10113	19.9
123.04408	3.4
123.08057	2.9
123.11714	12.6
125.05954	7.5
129.06975	5.7
131.04918	2.9
131.08548	11.5
133.06444	2.4
133.10117	16.5
135.04375	1.6
135.08041	3.4
135.11658	10.5
137.05966	29.4
137.09636	2.3
137.13255	3.2
139.07492	4.9
141.06935	2.2
143.08530	2.6
145.06448	2.4
145.10150	11.2
146.07312	2.0
147.04352	2.0
147.07962	1.6
147.11638	13.4
149.05943	7.3
149.09583	2.0
149.13235	10.7
150.06770	2.4
151.03835	2.8
151.07538	22.6
152.06166	3.9
153.05449	14.9
153.06950	8.8
153.08987	1.7
154.07649	1.9
155.08574	2.9
156.05588	2.5
157.06468	8.6
157.10112	3.9
159.11668	16.6
161.05940	5.7
161.09584	2.8
161.13242	16.2
162.06657	1.7
163.07538	5.3
163.11324	2.6
163.14804	4.2
165.05534	3.8
165.06979	12.1
165.09113	7.4
167.07018	15.5
167.08583	4.8
168.05682	5.3
169.06381	4.2
171.08029	2.0
171.11668	3.0
172.08774	1.9
173.09616	1.8
173.13275	10.2
174.99149	3.1
175.07504	3.3
175.11134	3.5
175.14772	7.2
176.98918	6.0
177.05502	4.5
177.09158	3.7
177.16371	4.7
178.07735	2.1
178.09859	4.0
179.07033	4.0
179.08568	2.6
179.10587	1.7
181.06439	11.2
182.07220	6.8
183.04318	2.5
183.08005	11.5
183.11678	2.1
184.05125	3.3
185.05937	5.4
185.13287	3.5
187.11143	4.5
187.14737	10.8
189.09029	7.8
189.16327	5.8
191.17865	2.7
193.06618	3.3
193.08577	10.1
193.10127	2.6
195.04512	2.8
195.08005	5.3
196.05150	6.2
197.05914	7.4
197.09608	1.6
197.13278	1.6
198.06728	4.1
199.07483	5.7
200.08308	2.1
201.09006	4.3
201.12584	1.7
201.16364	4.8
203.14291	2.0
203.17928	7.6
207.04370	2.1
208.05112	3.0
209.05754	7.1
209.09505	1.9
210.06738	6.1
211.07513	12.3
212.04498	2.7
212.08264	4.4
213.05537	7.7
213.09164	3.4
214.06271	1.9
215.07076	1.9
215.10655	7.5
215.17923	2.4
217.12209	2.5
217.19563	1.8
219.13792	4.7
221.05902	4.4
221.15337	3.6
223.03726	2.1
223.07494	3.3
225.05429	3.8
225.09041	4.8
226.06163	3.8
227.06952	6.4
227.10658	6.6
228.04193	1.9
228.07785	5.6
229.08408	3.8
230.05699	4.6
231.17569	1.9
233.15433	2.3
235.16824	2.6
238.06255	6.2
239.06963	5.5
240.07770	3.7
241.04935	5.3
242.05482	2.6
242.09247	2.1
243.06523	2.6
243.10081	3.2
243.13741	1.7
247.16934	6.8
253.05055	1.7
253.08548	6.9
253.12141	3.5
255.06393	3.7
255.10156	5.1
256.07367	3.8
257.07996	3.1
261.18622	2.1
266.05582	2.4
269.08173	4.3
270.08655	3.0
271.09601	10.0
271.24081	8.6
273.07553	3.7
275.19946	2.7
281.08176	2.4
285.07800	2.3
285.11292	4.8
285.14850	9.9
285.26105	1.9
287.12704	4.7
288.09857	2.5
299.08911	3.1
301.03104	2.4
303.12607	2.0
303.15860	7.0
313.10745	4.1
313.14178	3.3
313.24997	2.5
316.08875	7.5
331.08173	6.4
331.11688	100.0
331.15088	4.7
331.18463	2.4
331.22595	2.6
331.26270	14.0
332.12173	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	331.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30987	1.8
55.05511	8.4
57.03420	3.8
57.06796	4.0
57.07071	74.6
58.07392	1.8
60.29373	1.9
65.57893	1.6
67.05486	16.8
69.07072	10.0
70.06590	9.8
71.08623	56.6
74.03548	1.7
75.04475	2.5
76.03714	1.5
79.05464	1.7
79.11856	1.4
81.07049	23.5
83.08614	19.7
85.10172	30.2
88.07617	11.5
89.07987	2.8
91.05450	5.8
93.07044	3.1
95.08595	35.1
97.10161	9.2
98.98456	100.0
100.98851	2.8
102.09137	1.8
103.92545	1.6
106.08659	6.5
109.10144	16.6
111.11715	3.2
113.13274	2.2
116.99471	3.8
119.08537	2.0
123.11681	9.1
125.05955	2.4
125.13232	2.1
127.03930	1.9
131.08322	1.7
135.09616	1.7
137.05974	2.7
137.13341	3.9
147.04410	1.9
151.07523	3.1
153.01743	2.3
153.05434	4.9
162.06633	1.6
165.09068	2.4
174.99260	3.2
175.03862	2.2
176.98923	6.8
177.05563	1.6
193.08566	5.4
229.35524	2.0
239.23676	12.8
257.24509	3.4
299.05798	2.1
313.27356	44.2
313.32806	3.8
331.08099	9.3
331.15137	2.3
331.33951	92.3
332.33334	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18970	2.3
55.05518	13.8
57.03420	9.9
57.07071	93.5
57.57973	2.3
61.49511	2.1
67.05497	22.9
69.07058	19.2
70.06583	10.5
70.56481	7.9
71.08624	67.1
72.90680	2.3
75.04464	4.1
76.44878	2.0
79.05475	2.4
81.07054	31.9
82.06865	2.7
83.08222	2.3
83.08621	25.5
85.10176	36.0
88.07638	16.3
89.07924	3.8
91.05434	2.4
95.08599	48.0
97.10186	14.4
98.98461	67.2
99.11694	2.5
102.09162	3.5
105.25378	2.3
106.08662	8.6
109.10149	21.1
111.11726	2.7
123.11667	10.2
127.14883	3.0
137.13298	4.7
138.70616	2.6
139.61687	2.3
151.14891	2.9
176.98975	5.6
183.38066	2.6
190.55190	2.3
218.71088	2.5
221.22528	3.7
239.23715	20.2
257.24649	5.6
275.25748	3.4
277.77548	2.1
313.27344	59.2
313.30954	3.4
313.32916	6.7
331.08029	4.8
331.33981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01870	0.8
56.96535	0.5
57.03422	1.9
60.07372	0.5
60.36039	0.5
61.02919	2.3
65.03927	1.5
67.05515	3.0
69.03080	0.6
69.03426	7.9
69.22844	5.7
69.23181	0.7
71.04990	0.9
71.25336	0.5
73.02903	2.2
79.05482	0.9
81.03393	1.9
81.07037	1.1
85.02894	9.9
87.04456	2.4
87.98338	0.5
91.03944	0.7
93.05766	0.8
96.08144	1.2
97.02886	5.6
98.97546	0.6
99.04471	1.0
106.06557	3.7
108.08105	100.0
109.02869	1.6
109.08443	1.9
118.54530	0.5
119.01832	0.6
123.06773	3.3
124.07583	15.9
127.03919	2.6
133.03534	0.8
134.06006	12.6
136.07555	12.2
145.04904	1.0
152.07047	67.9
153.07359	1.1
154.08611	1.9
161.05530	2.4
170.04918	0.8
170.06128	1.4
170.08121	7.8
170.09407	0.9
192.87004	0.5
221.04881	0.8
242.08107	1.2
307.40295	0.5
314.12299	40.1
315.12543	0.5
321.10196	1.9
324.73441	0.5
332.13376	54.2
333.13721	2.0
339.11130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1336
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03931	1.0
55.61540	0.5
57.03431	0.8
61.02911	2.3
65.03920	1.3
66.46730	0.6
67.05489	3.0
67.95676	0.5
69.03426	6.2
69.83396	2.9
73.02905	2.1
79.05467	1.3
81.03415	1.2
81.07032	0.8
85.02893	7.7
87.04474	0.9
91.03887	0.5
91.05545	0.5
96.08124	0.8
97.02873	3.7
106.06535	4.7
108.08103	100.0
109.08464	1.7
123.06806	3.9
124.07577	15.7
124.96778	0.6
127.03899	2.0
134.05997	11.1
136.07564	16.4
145.05013	0.7
152.07047	68.2
153.07433	0.8
154.08595	1.7
170.08095	7.9
194.44916	0.6
314.12292	50.0
315.13107	0.6
332.13367	64.0
333.13354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1329
Annotation	Catechin 5,7,3'-trimethyl ether
Peak:m/z	Relative Intensity
50.79090	1.5
53.03940	2.0
55.05492	3.4
67.05485	4.6
69.03427	7.1
69.07061	2.0
69.68468	10.3
71.04979	6.0
73.06531	3.4
78.04691	4.2
78.48384	1.7
79.05482	2.1
81.03419	2.0
81.07056	3.2
83.04966	3.1
85.02902	6.2
85.06541	7.7
91.05490	3.8
94.04160	2.7
95.05001	3.3
97.02876	5.0
98.21538	3.3
98.98457	20.0
98.99029	1.7
99.04456	1.8
99.08072	14.3
101.05998	5.1
105.07044	2.4
106.04190	2.4
107.04943	2.4
109.02850	2.3
109.08450	1.6
111.04414	2.9
117.05477	3.6
117.21114	1.7
119.04936	2.3
121.06521	1.7
122.03650	7.8
123.04402	15.3
124.05265	3.5
127.03963	1.8
131.07037	2.4
135.04417	3.3
137.05965	92.4
138.06374	1.8
139.03896	4.2
147.04378	6.2
151.07484	2.1
153.05463	3.2
153.09148	1.9
163.03937	7.6
165.05428	3.2
165.06981	4.2
167.07028	100.0
170.11777	2.8
171.12102	4.1
176.98897	2.4
177.05521	1.7
180.06586	4.0
181.05072	2.3
181.06827	4.9
183.08104	2.6
188.03795	3.1
211.07663	3.2
227.07077	5.8
243.10150	2.1
255.06247	4.3
271.09802	3.3
281.08185	1.9
283.09729	2.3
288.09875	36.2
301.10748	2.7
303.12271	4.7
310.82574	1.7
315.05026	2.1
315.09631	2.5
333.10669	5.4
333.14664	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	333.133
Annotation	Catechin 5,7,4'-trimethyl ether
Peak:m/z	Relative Intensity
53.03937	1.4
55.05498	0.6
66.04723	0.6
67.05485	1.9
69.03414	1.3
69.07069	1.0
71.04982	0.5
77.03928	0.9
79.05482	4.3
81.03411	1.0
81.07066	2.3
83.50454	0.5
84.05640	0.4
86.53040	0.5
91.05479	5.6
93.07047	1.5
94.04188	2.4
95.04954	2.2
95.08600	1.0
98.98472	1.8
103.05459	0.7
105.03382	0.7
105.07021	1.6
107.04949	1.1
107.08591	1.4
108.05722	1.9
109.02878	1.0
109.06508	13.5
111.04392	0.6
111.08047	1.0
114.86549	0.5
119.04930	7.0
119.08582	0.9
121.06488	2.2
121.10114	0.8
122.03621	3.1
123.04434	0.9
123.08049	0.5
124.05193	0.9
125.05915	0.9
131.04903	0.8
133.06461	0.8
133.10172	0.8
135.04422	7.7
135.11674	0.6
137.05966	50.1
138.06306	0.7
139.07524	2.8
147.04401	37.0
147.11594	0.7
149.05936	1.2
151.07541	1.4
153.05457	1.3
155.07031	5.8
161.05960	2.0
161.09653	0.5
165.05515	0.7
165.06902	0.8
167.07027	100.0
168.07382	2.0
171.11748	0.5
177.12654	0.5
179.07019	10.8
181.06479	1.1
181.08574	3.0
181.09961	0.5
193.08554	1.0
193.12381	0.4
197.06143	0.4
197.08130	0.9
198.06660	0.7
209.05894	0.5
209.08002	1.2
211.07443	0.5
213.08934	0.8
223.99879	0.5
226.06281	0.6
241.08611	0.9
269.08093	1.0
273.11218	1.5
288.09866	2.7
301.10706	2.7
315.12180	2.2
330.78793	0.5
333.13214	4.0
333.20609	0.6
333.24246	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1328
Annotation	Catechin 5,7,4'-trimethyl ether
Peak:m/z	Relative Intensity
53.03927	0.3
55.05509	0.5
57.07074	0.3
65.03933	0.9
66.04730	1.1
67.05501	0.9
69.60863	2.4
77.03934	0.8
78.04705	0.4
79.05487	3.0
81.07047	1.7
91.05466	4.9
93.07047	0.5
94.04173	3.2
95.04971	1.1
95.08604	0.8
98.98471	1.3
103.05447	0.4
105.03361	0.5
105.07021	0.9
107.04948	1.5
107.08569	0.5
108.05751	1.4
109.06503	14.9
109.10158	0.4
111.08073	0.5
119.04928	6.9
121.06525	1.1
122.03617	3.0
124.05179	0.5
125.06037	0.6
133.06473	0.5
135.04401	1.3
135.08064	0.6
137.05959	53.1
138.06277	0.8
139.07516	2.6
147.04390	43.2
148.04811	0.8
149.05963	0.8
151.03918	0.4
151.07498	0.7
152.06221	0.5
153.05478	0.6
155.07018	6.7
159.11559	0.4
161.05986	0.7
165.06920	0.5
167.07014	100.0
168.07356	1.7
177.05382	0.3
179.07004	11.2
181.06601	0.4
181.08611	1.6
185.61331	0.3
191.14319	0.4
197.08066	1.3
198.06657	0.4
207.06404	0.4
209.08069	0.9
269.07986	0.5
273.11066	0.4
288.09863	1.7
301.10605	1.3
315.12366	0.4
333.13147	2.6
333.24194	0.5
344.62503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1694
Annotation	Gibberellin A119
Peak:m/z	Relative Intensity
53.03930	2.5
55.01868	3.3
55.05492	7.2
55.92596	2.6
57.07055	5.7
59.04964	2.4
67.05497	11.8
67.63332	2.1
69.03425	4.8
69.07063	18.3
69.90105	12.8
71.04971	3.0
71.08598	4.8
74.67168	2.4
76.11387	2.4
78.04704	2.9
79.05482	12.0
81.07042	14.2
83.04965	5.8
83.08617	4.8
85.06536	2.8
85.29897	2.9
91.05466	18.9
93.07027	17.2
95.04959	6.7
95.08600	20.9
97.06518	11.7
97.10150	3.9
98.98458	26.2
100.98923	2.6
105.07016	18.9
107.04923	3.7
107.08580	16.2
109.06484	5.9
109.10114	13.2
115.05415	3.2
117.07001	2.7
119.04884	5.5
119.08593	7.8
121.06496	41.4
121.10124	9.0
123.04404	3.9
123.08043	10.4
123.11674	4.8
125.09626	4.6
128.06239	3.9
129.06982	6.8
131.08543	8.7
133.06485	6.5
133.10106	8.3
135.04431	6.4
135.08069	15.4
135.11671	4.9
137.05968	28.4
137.09593	15.5
139.07495	3.8
143.08559	7.8
145.06419	3.1
145.10080	4.3
147.04422	11.7
147.08080	4.8
147.11658	7.3
149.05965	86.9
149.09608	4.6
149.13298	3.1
151.07547	21.3
152.06142	3.0
153.05507	4.1
153.09177	2.6
157.06499	3.5
159.08096	3.5
159.11557	2.8
161.05959	7.5
161.09573	7.4
161.13254	6.7
163.07541	12.3
163.11176	5.4
165.05565	4.0
165.09085	2.8
167.07043	52.4
167.08432	3.3
171.08017	5.1
172.08759	4.3
173.09624	3.1
174.06755	4.3
175.07562	6.6
175.11153	5.0
177.05470	38.2
177.09077	4.1
179.07091	3.4
181.06438	5.9
181.08566	7.0
183.08110	3.4
185.09561	5.2
187.07602	4.5
188.08308	7.2
189.09084	30.7
189.16283	3.4
191.07031	5.9
191.10649	100.0
193.08681	3.4
195.06454	6.0
195.08142	3.0
197.06015	4.3
197.09604	2.6
201.08963	3.5
203.06992	4.2
203.10663	44.8
207.13766	2.6
211.07597	2.6
213.09171	3.8
215.10686	6.4
217.08533	9.6
217.12183	3.5
221.15491	3.9
227.10500	5.8
231.10147	19.9
235.09485	13.7
241.08466	4.1
243.10114	6.0
245.11728	4.7
245.15337	4.3
247.09673	7.2
249.11209	25.7
259.16870	10.8
261.11398	2.7
269.08270	2.7
269.15305	10.3
273.11285	7.0
273.25674	3.0
287.16437	23.4
288.09927	19.4
297.14780	6.3
301.10553	9.7
315.12213	4.0
315.15817	51.5
315.19342	4.0
316.16171	3.2
333.12915	9.2
333.16925	32.9
333.20657	4.0
333.24274	5.1
333.27921	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	333.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
53.80922	4.2
55.01861	5.5
55.05512	8.3
57.03437	4.6
57.07053	5.1
67.05482	15.7
68.99777	5.4
69.03413	13.7
69.07058	23.6
70.78316	13.3
71.04978	10.0
79.05470	17.5
81.03403	6.1
81.07058	23.5
83.04974	5.3
83.08595	6.1
85.02915	22.9
85.06509	6.6
90.08050	4.3
91.05473	31.4
93.07036	46.8
94.51490	4.0
95.04964	12.2
95.08619	25.1
97.02876	8.1
97.06522	84.6
98.98460	24.8
103.05445	4.5
105.07050	26.7
107.04976	10.1
107.08597	50.4
109.02876	7.2
109.10149	18.4
111.08073	7.0
119.04942	15.1
119.08617	4.3
121.06503	36.0
123.04371	12.4
124.05238	4.0
127.03867	7.4
131.08626	4.9
133.06474	7.8
135.08035	6.2
135.11693	52.4
137.05969	27.1
145.06433	6.8
147.04425	10.1
151.07510	5.1
151.11169	4.7
153.01799	10.3
153.05444	21.0
153.06947	9.4
153.12740	100.0
161.05965	7.4
161.09573	5.1
165.06914	9.5
167.07057	43.6
169.06409	6.5
170.07207	8.3
171.13823	25.2
173.05876	4.7
180.05614	7.6
181.06628	22.3
181.08592	35.9
182.07156	5.6
183.08005	6.5
189.04062	4.9
193.08589	15.3
195.08020	12.0
197.05937	9.9
198.06715	18.0
211.07582	7.3
213.05394	4.6
213.09097	23.1
223.07610	6.0
226.06255	7.7
241.08638	21.1
242.09410	4.2
243.06441	7.4
245.11700	7.2
255.06223	5.8
258.08789	5.1
259.09534	4.9
269.08188	6.0
271.05896	6.4
273.11136	25.9
275.08945	4.6
286.08200	5.4
287.09012	4.7
288.09784	13.2
301.10724	48.0
302.11578	9.4
315.13300	4.6
318.03830	9.3
318.10934	10.8
333.06131	36.8
333.13126	30.5
333.17191	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	333.1904
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03947	5.8
55.01857	5.4
55.05503	9.0
57.03427	11.4
57.07066	16.4
59.05007	11.7
61.02909	11.1
67.05493	16.2
69.03425	41.4
69.07066	16.9
69.41504	21.7
71.04984	17.0
73.02905	5.9
79.05482	6.8
81.03398	11.9
81.07050	15.4
83.04997	3.7
83.08611	3.2
84.26140	2.1
85.02898	87.7
85.06537	14.4
87.04456	5.1
89.99464	2.3
91.03951	5.3
91.05464	7.5
93.07024	14.4
95.01270	2.3
95.04950	9.8
95.08604	55.2
97.02896	30.9
97.06513	10.5
98.98450	13.3
99.04447	6.8
99.08082	26.8
103.30809	2.6
105.07014	8.9
107.04959	4.6
107.08589	15.4
109.02879	9.9
109.06517	13.5
109.10149	18.4
111.08070	12.8
113.09639	60.8
117.07025	3.5
118.25660	2.2
119.04884	4.0
119.08539	6.6
121.06461	3.7
121.10112	2.6
123.04415	5.2
125.05968	3.8
125.09607	3.1
127.03916	18.0
127.11179	49.1
128.06146	2.6
129.05475	2.9
129.07010	2.7
131.04951	4.1
131.08536	3.7
135.07979	4.9
135.11668	22.6
137.05957	17.3
137.13278	3.2
138.06271	5.9
139.03876	2.6
139.06497	2.9
140.63359	2.3
141.12747	5.9
143.08524	2.8
145.04932	20.1
145.10123	2.6
147.04358	5.8
147.08008	2.9
147.11607	2.5
149.71342	2.6
151.07466	5.9
151.11185	3.0
152.07895	3.0
153.05562	3.1
153.12737	100.0
155.14281	6.4
159.11630	2.8
163.03845	3.0
165.05507	2.6
165.12752	4.0
167.06975	5.2
169.12244	7.1
171.13789	48.3
173.09615	2.7
173.13278	2.9
177.12691	5.1
181.12207	2.9
188.03731	6.2
189.04089	8.2
189.09094	3.4
190.03201	3.4
193.10432	4.9
194.10782	5.6
195.07988	2.6
195.13762	3.9
229.10959	3.4
289.13486	3.3
301.11768	8.4
315.18069	5.4
321.87646	2.6
333.14389	2.8
333.17609	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	333.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.2
55.01850	18.0
55.05502	29.1
57.03411	9.7
57.07075	7.0
59.09277	6.7
67.05492	7.3
69.03426	29.4
69.07047	18.1
70.34723	21.2
70.35135	12.2
71.04971	31.5
79.05486	23.0
81.03400	26.8
81.07045	43.8
83.04956	13.4
83.08632	9.1
85.02899	100.0
85.06525	7.3
91.05479	44.8
93.07058	62.4
95.04921	17.1
95.08609	20.4
97.02862	19.3
97.06544	16.0
97.68410	6.1
98.98457	36.9
98.99011	8.1
99.04440	9.6
105.07024	47.8
107.04943	12.0
107.08585	64.1
109.02873	14.0
109.06543	15.9
109.10152	27.4
111.04452	8.3
117.06993	17.3
119.04932	16.1
119.08580	32.3
121.06518	34.6
121.10143	11.6
123.04429	14.5
123.08035	10.9
125.09561	7.3
127.03921	13.7
128.06190	8.6
129.05511	8.4
129.07016	8.8
131.04904	12.0
131.08519	23.6
133.04955	11.9
133.06494	11.3
133.10144	15.7
135.11671	37.8
137.05965	57.5
143.08524	19.3
145.04927	8.6
145.10124	16.1
147.04356	10.0
147.08002	40.5
149.05978	12.5
149.09592	19.3
152.06169	9.7
153.05460	23.4
153.06918	11.2
153.12717	52.3
159.08095	9.1
159.11658	9.2
161.05930	8.9
161.09604	15.2
163.03848	8.5
165.05612	9.7
165.07048	14.4
165.12767	31.4
167.06995	46.8
171.08099	8.4
171.13803	12.6
173.09563	17.8
173.13245	9.2
175.07530	15.6
177.09032	8.5
177.12720	12.8
179.07146	8.4
181.06482	25.7
181.08604	19.0
183.08003	12.5
184.46065	6.8
187.07710	7.2
187.11143	7.0
189.12691	22.5
191.10649	9.5
193.08583	16.5
195.08057	7.1
197.05887	8.1
198.06706	12.1
199.07359	6.3
202.64291	7.8
208.05278	11.3
209.05817	10.7
211.07620	10.7
213.09081	10.4
215.06992	11.2
219.13821	8.3
225.05368	10.6
231.13615	10.1
241.08553	11.9
243.06400	11.7
245.11777	9.4
252.07059	7.8
255.06674	8.2
261.14850	8.1
273.11298	16.1
288.09897	20.9
288.15265	8.5
297.16641	9.7
301.10651	39.4
302.11276	10.1
315.17880	17.4
318.03824	16.7
318.10861	12.9
333.05945	19.9
333.13077	29.9
333.17856	9.4
334.16495	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	333.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	13.9
55.05495	30.6
57.03429	16.9
57.07067	20.2
62.47340	9.4
67.05489	13.7
69.03420	24.5
69.07056	27.5
69.92032	9.8
71.05009	64.5
71.37684	19.0
79.05488	30.9
81.03429	14.6
81.07045	37.8
85.02911	100.0
91.05488	33.3
91.65321	9.0
93.07022	61.8
95.08595	33.2
97.02888	19.5
97.06522	12.6
98.98410	15.2
105.06982	65.0
107.08565	58.8
109.02872	17.7
109.06467	14.7
119.08569	46.1
121.06488	31.8
123.04440	10.0
123.08057	12.9
127.03919	14.8
129.06926	13.0
131.08519	30.1
133.04906	14.0
133.06487	15.1
133.10083	14.1
134.32825	8.5
135.11679	41.1
137.05966	46.5
143.08517	19.3
145.10106	22.4
145.68971	9.6
147.08028	31.2
149.09625	15.7
151.07491	11.5
153.05409	12.5
153.06937	10.2
153.12737	79.8
157.03233	12.0
159.11696	10.6
161.05983	11.0
161.09610	10.1
165.12701	76.4
167.07056	48.8
173.09602	17.0
175.07507	12.5
177.12790	23.6
181.06372	16.5
181.08588	10.8
189.12668	15.7
207.13890	15.3
209.11720	13.7
261.14667	15.4
271.06116	11.7
272.06812	14.9
287.09119	80.5
288.09885	11.7
297.16879	14.1
301.10699	22.8
315.12326	13.7
315.17972	21.1
333.13135	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1904
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
52.42265	5.8
55.01863	14.6
55.05497	24.9
57.03424	13.3
59.04970	7.8
61.02905	9.3
64.11325	6.6
67.05497	17.0
69.03406	27.4
69.07065	18.2
69.54240	25.9
69.54666	23.0
71.04974	60.9
72.08163	11.6
72.94647	6.1
73.02895	13.5
73.06562	7.3
79.05473	16.3
81.03429	8.7
81.07037	52.0
83.04968	12.4
84.04481	16.7
85.02438	7.8
85.02901	86.3
85.06507	8.6
86.16966	6.4
86.18446	5.9
91.05464	31.5
93.07026	44.4
95.04968	16.8
95.08591	23.2
97.02908	43.8
97.06520	17.8
98.98454	32.6
99.04462	7.1
105.06999	34.4
107.04931	14.2
107.08572	51.3
109.02866	13.3
109.06503	16.5
109.10125	15.7
110.09671	11.0
111.04418	9.8
111.08121	8.1
115.03924	7.7
117.07033	7.5
119.04915	12.2
119.08559	25.8
121.06533	11.2
123.04412	38.2
123.08097	13.9
123.11702	7.5
124.04712	8.8
127.03931	17.6
131.08572	24.4
135.04404	11.8
135.11668	34.7
137.05965	19.4
138.09113	18.8
139.03879	100.0
140.04214	12.9
141.12762	22.2
145.10139	20.6
147.04413	15.5
147.08061	33.2
147.11627	10.8
149.09703	7.9
151.03862	13.2
153.05432	13.7
153.12721	85.0
159.08064	12.8
159.11658	7.9
161.09612	9.5
163.03891	25.9
163.06068	8.7
165.12730	27.3
166.04909	11.8
167.03494	7.5
167.07027	23.1
171.13762	18.5
173.09619	12.2
173.13235	10.0
174.11247	19.8
177.05476	12.4
177.12764	13.5
181.06747	10.3
189.12808	8.9
191.03325	11.6
193.08592	7.6
194.08061	8.7
195.08264	12.9
196.06068	13.3
231.13794	8.2
261.14877	11.5
272.13266	6.6
279.16040	10.2
288.09772	11.5
297.17737	21.1
315.18219	18.5
316.08771	13.8
333.11542	44.5
333.20157	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	333.1906
Annotation	Rosiridin
Peak:m/z	Relative Intensity
55.01863	8.0
55.05497	18.6
57.07066	9.1
61.02919	6.5
67.05489	13.3
69.03424	21.2
69.07063	29.3
69.55931	18.6
69.56357	26.8
71.04979	31.5
73.02893	6.9
79.05472	26.7
81.03397	16.7
81.07060	35.7
81.79452	5.9
83.04993	7.4
83.08601	7.2
85.02901	49.6
85.06537	8.5
85.57160	7.0
91.05478	51.4
93.07045	46.9
95.04967	12.4
95.08602	33.4
97.02872	13.7
97.06544	13.5
98.20712	6.1
98.98445	30.9
99.08050	7.5
103.03932	10.0
103.05492	13.5
105.07012	44.4
107.04910	20.2
107.08589	34.7
109.02866	20.2
109.06497	12.7
109.10129	18.4
111.04425	10.0
115.03924	7.5
117.06992	10.7
119.04913	37.9
119.08558	29.8
121.06487	26.6
121.10136	14.0
123.04418	19.6
123.08038	9.4
126.70943	5.8
127.03854	16.5
129.06990	6.5
130.51358	6.0
131.08537	13.0
133.06516	16.8
133.10130	10.2
135.08012	8.3
135.11670	23.3
137.05988	42.4
137.09567	6.3
137.13181	8.1
143.08569	12.7
145.04866	6.7
145.06511	8.8
145.10101	18.5
146.15465	6.2
147.04399	100.0
147.08038	20.6
147.11681	7.5
149.05983	8.0
149.09616	14.0
151.03865	9.0
151.07523	7.5
151.11153	8.5
152.06122	8.3
153.05437	22.2
153.06740	5.8
153.12714	25.1
157.06467	8.4
159.08076	14.2
159.11682	8.8
161.06007	14.3
163.03940	10.6
163.07593	6.5
165.05443	7.2
165.07018	7.7
165.12723	18.5
167.07034	55.1
169.01292	8.4
169.06511	7.1
170.02664	6.1
173.09668	13.8
173.13196	7.7
175.03783	6.2
175.07469	9.7
177.12746	11.0
179.07005	9.7
181.05023	9.9
181.06493	18.9
181.08574	23.0
182.07227	8.4
185.05983	7.5
189.12685	9.7
193.08592	14.8
198.06752	13.2
201.12791	6.6
207.06398	10.9
207.10223	6.6
211.07416	9.5
213.09082	9.9
227.10435	6.8
231.13860	11.0
237.05446	7.3
241.08588	10.0
243.06601	11.4
261.14651	7.5
273.11224	21.0
279.15988	8.8
288.09879	21.2
301.10767	32.9
315.18158	7.4
318.11340	7.0
333.06009	13.5
333.12738	23.0
333.16702	8.5
333.20364	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	333.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16364	1.1
54.99456	1.3
55.94136	1.1
60.39330	1.3
67.05516	1.3
67.59123	1.1
69.07064	7.1
71.29509	1.9
71.29832	1.8
81.07052	4.3
91.05462	6.5
93.07035	4.3
95.04990	1.9
95.08586	2.9
98.98458	3.9
105.07009	2.5
105.47223	1.2
107.08615	1.9
109.10147	3.8
111.11717	3.3
117.06975	2.0
119.08488	1.4
121.06492	33.4
121.10151	1.7
122.06872	1.6
123.08046	2.9
123.11694	3.9
133.10120	2.6
135.08047	5.2
135.11682	1.5
145.06477	2.0
147.08029	3.9
149.05965	100.0
151.07513	14.3
161.09688	2.2
163.07469	7.9
163.11165	1.3
164.64349	1.4
165.09096	1.4
167.07037	4.8
171.07983	1.6
175.07532	13.5
177.05452	82.6
177.09055	3.8
178.05782	2.1
188.08197	2.4
189.09077	19.4
191.06984	10.9
191.10655	1.7
202.09862	1.3
203.07050	8.4
203.10652	9.5
205.08723	1.9
209.08064	48.2
217.08644	4.9
217.12250	3.3
223.09618	2.5
231.10098	5.4
235.09586	7.4
247.82002	1.2
249.11176	11.5
263.12823	5.3
273.18466	48.3
274.18991	1.5
301.17917	13.1
333.20618	5.2
333.24203	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.242
Annotation	Dendrinolide
Peak:m/z	Relative Intensity
51.21479	1.0
53.03928	4.6
55.01867	5.9
55.05274	1.2
55.05509	20.8
57.03430	22.2
57.07053	2.5
65.02579	1.4
65.03913	4.6
66.38988	1.1
67.05497	100.0
69.07057	11.8
69.76669	7.5
71.04966	1.4
73.02894	2.6
79.05485	56.8
81.07046	69.2
83.04989	2.8
83.08601	4.3
85.06525	1.3
91.05470	37.4
93.07033	53.9
95.04960	6.2
95.08598	52.2
97.06521	1.3
97.10165	1.8
98.20752	1.3
98.98449	7.3
99.04417	1.3
103.03931	2.2
103.21079	1.3
105.04448	1.3
105.07024	21.5
107.04962	1.6
107.08581	27.3
109.06521	2.7
109.10143	18.7
117.06979	3.5
119.08566	14.7
121.06478	2.5
121.10120	17.3
123.08067	2.7
123.11677	5.3
129.05472	21.7
129.06963	1.8
130.07816	1.1
131.08572	5.4
133.10117	13.3
135.04420	2.4
135.08000	1.4
135.11665	9.7
137.05928	1.4
137.09584	1.4
137.13248	1.2
143.08507	1.9
145.10086	4.7
147.04420	1.5
147.11690	7.2
149.09579	2.1
149.13260	5.7
157.10117	1.6
157.35776	1.1
159.11658	3.3
161.13257	4.5
163.14847	1.6
167.07042	3.6
171.11653	1.9
173.13187	1.8
175.14735	3.2
181.04976	2.9
199.14919	1.3
209.04378	2.1
217.19572	2.4
231.21100	1.4
241.19458	3.6
243.55800	1.1
259.20694	2.7
278.32037	1.2
287.16321	1.6
301.58841	1.4
315.16077	1.6
315.43402	1.3
333.24173	59.6
334.24374	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	334.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33733	0.9
55.01861	1.4
57.03413	2.4
57.77050	0.9
61.02904	3.8
69.03429	6.3
71.01163	2.6
81.03397	3.7
85.02896	26.5
91.03929	1.7
91.05479	11.1
95.99999	1.0
97.02893	8.5
99.04462	1.6
109.02873	1.9
119.04925	9.2
127.03881	5.0
134.88052	0.9
137.05966	100.0
138.06229	1.3
145.04901	5.3
149.82010	1.1
155.07010	6.1
172.09712	1.2
179.07007	2.3
180.08669	3.9
252.36746	1.2
263.09140	1.2
272.82770	1.2
314.96576	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24551	1.1
51.26377	1.1
57.03431	3.0
58.34203	1.2
59.30901	1.0
60.03407	1.0
61.02916	5.7
65.48775	1.1
69.03433	6.1
70.90076	3.4
73.02930	1.9
81.03406	3.8
85.02898	32.2
91.03943	2.5
91.05470	14.2
97.02905	8.6
106.39774	1.1
109.02873	2.8
119.04923	10.5
127.03901	4.7
137.05969	100.0
138.06302	1.6
145.04947	6.0
155.07027	8.3
179.07033	1.2
180.08670	3.1
203.06990	1.3
257.09482	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43303	0.7
56.96293	0.9
56.96558	9.3
57.03412	1.1
58.99858	1.1
61.02910	0.7
68.98242	0.9
69.03429	4.5
69.62811	5.6
70.98095	3.1
71.04980	0.9
73.02886	1.2
73.06556	0.8
77.00919	0.9
81.03410	1.3
82.99844	2.5
85.02891	5.4
87.04456	0.8
88.99137	2.8
91.05464	1.2
97.02882	4.5
98.21494	1.0
98.97575	13.1
101.00198	1.0
101.00864	16.7
103.02471	1.0
105.00357	0.8
106.88035	0.7
108.08083	2.6
109.08424	1.6
110.97549	1.6
113.00855	3.3
115.02412	3.7
116.98611	6.8
119.01908	44.7
119.04855	0.8
120.01944	1.2
127.03888	1.2
128.50697	0.9
128.98582	2.5
129.03957	1.6
131.01895	21.1
131.05539	7.7
133.03473	5.7
134.03619	0.8
134.99629	2.1
137.00809	1.3
137.02934	3.6
137.05925	3.5
138.06288	1.5
143.01883	67.3
144.01979	1.6
145.03450	6.8
146.99629	3.6
147.01392	1.5
147.04230	1.2
147.05156	1.5
148.04735	1.5
149.02913	2.6
149.06589	11.0
152.07062	1.3
153.07353	1.8
155.01874	19.1
155.04573	2.4
155.05624	1.7
156.02727	1.7
157.03429	2.6
158.99638	3.4
159.05032	3.2
161.02939	100.0
162.03064	4.0
163.04518	1.7
165.00679	2.5
169.07053	0.8
171.05006	1.7
172.97556	3.7
173.01443	1.4
173.02948	23.4
173.06575	26.3
174.06755	1.5
175.04524	1.3
177.00697	2.8
177.06042	4.1
184.02995	0.9
184.04512	3.6
185.02995	2.4
185.04919	1.5
185.06558	23.4
186.06700	1.6
187.08147	4.8
190.98607	7.3
191.02249	1.6
191.03899	0.8
191.05989	1.3
191.07597	8.0
196.08177	1.3
197.06577	1.7
199.08151	1.4
201.06165	1.8
203.04005	8.1
203.05807	1.8
203.07591	14.2
204.07765	0.8
205.00195	1.9
208.04909	0.9
208.99728	1.6
209.06580	1.7
211.02840	0.8
214.98503	1.0
215.05710	0.9
215.07619	12.6
218.98126	1.7
219.01770	2.4
221.05046	18.0
223.01169	2.5
223.04765	1.4
227.07620	2.4
227.56895	1.7
232.99617	4.9
233.08632	3.9
234.94917	0.8
236.99208	1.4
237.02771	3.3
244.57935	2.4
245.04926	1.3
247.01193	0.8
251.00592	3.0
257.08765	4.3
273.08182	1.4
275.00656	1.0
275.09802	31.8
293.01715	2.4
293.10782	74.5
294.11002	4.8
309.08533	1.7
316.12381	2.9
317.13113	1.8
325.60373	2.4
335.11780	36.7
336.12030	2.2
353.11047	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.3
57.03426	1.1
57.07071	1.7
59.05003	1.0
63.27976	1.0
65.03929	3.7
65.89978	1.0
67.05497	6.8
69.03401	2.0
69.07060	100.0
71.02619	1.4
71.02943	1.3
71.04967	1.0
79.05480	4.0
80.05020	1.3
81.03391	2.6
81.05759	1.0
81.07040	8.9
83.04958	1.1
85.02905	1.3
85.06499	2.0
91.05463	3.1
92.04983	4.0
93.07027	3.8
94.06558	3.3
95.04931	3.0
95.08595	2.9
96.08090	1.2
97.02848	1.5
97.06522	18.9
100.83510	1.1
101.60728	1.0
105.07001	3.5
107.03780	0.9
107.08572	3.8
109.02859	4.4
109.06502	2.8
109.10107	2.9
117.07027	1.2
119.08593	3.1
119.80061	1.0
120.04427	1.1
121.06506	1.5
121.10147	1.4
122.06010	6.3
123.08051	1.6
124.07552	2.4
125.05982	2.6
129.06932	1.5
135.08009	1.2
137.05936	3.8
137.09576	1.0
138.05504	5.5
140.07057	6.5
143.07249	1.1
143.08498	1.6
144.08107	2.3
145.08820	2.0
145.10101	1.7
146.09593	3.8
148.03857	2.0
149.09628	1.2
150.05489	72.2
157.08740	2.1
159.11688	1.0
160.07617	1.3
161.08299	3.4
162.09175	2.2
165.04219	1.5
166.04984	30.8
167.07085	2.4
168.06549	1.3
172.11162	4.3
173.08290	2.2
174.12755	6.0
176.03409	8.1
178.04912	2.5
185.08371	2.1
185.13202	1.5
188.10756	2.9
190.12234	3.7
191.06998	2.6
191.14317	5.1
194.04411	1.9
198.07838	1.7
199.06090	1.2
200.07118	1.1
200.10725	6.4
202.12213	7.4
213.10368	1.4
213.12971	1.2
216.10188	3.8
218.08296	1.8
218.11737	28.6
228.10175	14.8
229.13316	1.1
233.15627	1.0
234.11243	3.3
243.11221	1.4
244.09598	1.6
245.12816	2.3
246.11206	23.9
249.05304	1.0
256.09549	1.5
257.09241	1.4
261.12384	1.2
271.10773	4.6
272.09161	3.3
273.12357	3.1
274.10645	1.7
287.10190	8.6
289.11771	7.5
291.13312	1.4
299.10242	5.9
299.19867	1.5
303.10397	1.0
317.11310	23.8
317.21133	1.9
335.12369	19.3
335.22141	3.4
336.12796	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2061
Annotation	Sachaloside VI
Peak:m/z	Relative Intensity
53.03942	1.5
53.08178	1.2
55.01869	1.4
55.05501	5.3
57.03426	2.7
57.07074	5.8
59.04990	2.9
61.02921	1.5
67.05492	9.4
67.93353	1.2
69.03428	5.8
69.07066	26.5
71.01351	1.2
71.04053	2.3
71.04390	2.0
71.04977	1.5
71.72052	1.2
79.05492	12.1
81.03400	5.2
81.07051	100.0
83.04955	3.7
83.08588	1.6
85.02901	23.3
85.06540	44.7
86.06911	1.2
91.05470	5.7
91.21542	1.0
91.43789	1.2
93.07021	8.0
95.04964	3.4
95.08601	40.7
97.02882	5.2
97.06516	3.6
97.10162	2.4
99.04446	3.3
99.08080	7.7
103.03865	1.2
105.07043	6.5
107.04944	2.7
107.08569	9.8
109.02892	8.0
109.06548	3.0
109.10172	7.7
111.04403	2.4
111.08044	4.3
111.11704	3.6
115.03893	1.9
117.06991	1.9
119.08588	6.2
121.06533	2.1
121.10136	6.3
123.04435	1.2
123.08086	2.7
123.11691	2.0
125.09594	2.7
127.03929	6.1
129.05473	2.6
131.08543	3.0
133.06630	1.1
133.10101	3.3
135.08063	2.8
135.11702	2.9
137.05927	1.5
137.09625	2.5
137.13245	15.4
143.08566	2.1
145.10103	3.7
146.05991	2.5
147.07901	1.3
147.11684	3.4
149.09610	3.1
149.13272	1.8
151.11180	1.3
153.12753	4.1
155.14293	70.2
159.11649	2.6
161.09602	1.5
161.13216	2.2
163.06094	2.8
163.07448	1.4
163.11140	2.7
165.09035	2.1
167.07089	1.2
173.09706	1.5
173.15375	5.9
175.11028	1.3
177.12747	1.1
179.10693	2.0
179.14354	1.7
191.14317	3.6
195.13802	1.5
203.14378	1.2
209.15462	1.9
222.39276	1.5
233.15518	1.3
245.15663	1.5
263.16476	2.4
281.17493	3.0
305.21173	1.3
317.20139	1.8
325.50797	1.4
335.21292	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	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03927	2.9
55.01604	1.1
55.01864	1.6
55.05508	22.1
56.49249	0.9
57.03434	24.1
57.07059	3.1
58.50936	1.0
59.16587	0.8
65.03928	3.8
67.05499	90.2
69.07065	19.6
69.67784	6.5
71.04984	2.6
71.08624	1.9
79.05486	46.5
80.05783	0.8
81.07048	88.2
83.04955	1.9
83.08611	9.1
85.06539	2.4
91.05473	25.0
93.07036	50.8
95.04971	4.7
95.08598	70.5
97.06502	2.5
97.10179	3.0
105.04484	1.3
105.07026	13.1
107.08583	24.7
109.06503	1.6
109.10147	30.5
113.09653	0.9
117.06982	4.6
119.08578	12.0
121.09322	1.8
121.10133	20.8
123.08074	1.5
123.11704	10.5
129.07022	1.2
131.08549	9.7
133.10114	10.3
135.11685	16.2
137.09625	1.2
137.13229	3.1
145.10114	7.9
147.11656	6.3
149.13246	9.2
151.11153	1.3
153.12715	1.2
159.11661	4.3
161.13231	5.9
163.14818	3.9
173.13255	5.6
175.14879	1.8
177.16388	1.0
187.14790	2.5
201.16293	1.5
205.15749	1.3
243.21071	5.9
261.22150	10.8
281.00113	1.0
317.24686	3.6
335.25769	100.0
336.26016	3.7
336.29907	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02361	1.2
53.03936	4.4
55.01862	1.5
55.05507	26.2
57.03432	29.0
57.07063	2.5
65.03928	3.1
67.05497	95.8
69.07060	23.5
69.30542	9.3
71.04980	2.0
79.05007	1.5
79.05486	47.2
81.07047	87.3
83.04945	2.0
83.08609	8.7
85.06535	1.2
91.05476	22.5
93.07034	53.8
95.04969	5.2
95.08596	71.8
95.32513	0.9
95.33168	1.1
97.06521	3.6
97.10156	3.3
99.08093	1.1
105.04532	1.4
105.07023	15.9
107.08580	24.1
108.54102	0.9
109.06520	1.5
109.10136	29.9
111.08067	1.6
117.07006	4.8
119.08575	10.1
121.10130	22.5
123.08062	2.3
123.11699	8.0
131.08556	7.7
133.10112	8.4
135.11684	13.8
137.09589	1.1
137.13249	3.4
139.11220	1.2
139.69070	0.9
139.70059	1.2
145.10080	6.8
147.11667	5.7
149.13251	5.7
154.70560	1.0
159.11588	4.5
161.13246	3.9
163.14803	2.2
173.13223	4.1
180.30313	1.0
185.48418	0.9
187.14807	2.9
201.07286	1.0
218.48566	1.0
243.21091	3.5
261.22198	6.0
317.24557	2.1
335.25760	100.0
336.26190	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	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03925	4.1
55.01866	1.8
55.05275	1.7
55.05507	26.9
56.04150	1.5
57.03432	29.5
57.07056	3.0
65.03918	5.6
67.05499	95.7
68.05825	1.4
69.07062	24.4
69.28629	11.5
69.29034	2.9
71.04980	2.9
72.60602	1.1
79.05486	52.4
81.07048	91.9
83.04966	1.8
83.08614	10.2
85.06539	1.8
91.05475	27.7
93.07035	55.6
95.04951	4.7
95.08599	76.9
97.06516	2.3
97.10174	3.0
98.21579	2.3
105.07018	14.4
107.08576	29.7
109.06523	2.8
109.10141	27.6
111.08067	2.0
117.07007	4.2
119.08575	11.2
121.10132	24.2
123.08096	1.4
123.11728	9.0
123.78532	1.3
129.05423	1.3
131.08562	7.6
133.10101	9.5
135.11694	14.4
137.09540	1.4
137.13243	2.7
139.49043	1.3
145.10069	7.0
147.11697	6.8
149.13248	7.4
153.21751	1.5
158.67531	1.3
159.11626	6.7
161.13257	5.2
163.14774	3.3
173.13229	3.4
175.14769	2.0
177.16409	1.7
187.14809	2.5
188.69913	1.1
188.82436	1.3
191.14331	1.3
243.21158	4.7
261.22076	8.5
317.24887	2.3
335.25766	100.0
336.26050	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.07883	1.8
53.03941	3.1
55.05509	18.2
57.03427	16.9
57.07062	2.9
67.05498	72.2
69.07065	22.2
69.62643	6.0
69.63055	7.6
70.84113	2.0
73.76982	1.9
74.99217	2.0
79.05489	29.2
81.07049	73.0
83.08607	9.4
85.06512	2.7
91.05467	18.1
93.06487	3.3
93.07037	44.3
95.04967	3.2
95.08599	68.2
97.06520	3.0
97.10187	2.0
105.07020	14.5
107.08582	23.8
107.80733	2.2
109.06513	2.7
109.10148	27.8
117.07011	3.3
119.08571	12.1
121.10123	19.7
123.08032	2.2
123.11692	10.2
131.08543	7.7
133.10114	10.8
135.11681	15.6
137.13251	2.5
145.10065	9.2
147.11668	7.6
149.13243	8.2
153.78839	2.1
159.11671	4.9
161.13220	5.6
163.14868	2.6
165.12842	2.1
173.13254	4.7
175.14780	2.7
187.14789	4.3
211.29515	2.4
243.21053	3.9
261.22116	8.8
308.14200	2.0
335.25778	100.0
336.26224	2.5
339.52698	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
55.01867	3.7
55.05507	23.4
57.03436	20.9
57.07078	3.5
58.56794	3.2
58.80380	3.9
59.58544	3.6
67.05497	100.0
69.07063	25.5
70.80830	11.2
73.41716	4.6
79.05489	44.2
81.07047	92.7
83.08620	8.5
85.06538	4.9
91.05501	25.2
93.07043	52.8
93.35468	4.4
95.04980	6.1
95.08597	66.5
105.07008	14.6
107.08595	20.6
109.10152	27.1
119.08572	11.1
121.10118	17.3
123.11687	5.5
131.08551	7.4
133.10074	7.8
135.11661	15.7
145.10164	4.7
147.11671	4.3
149.13237	6.1
164.08701	4.2
173.13286	3.9
213.64256	3.7
261.22055	6.4
335.25735	48.4
350.13281	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	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03934	2.0
55.05505	11.7
57.03191	1.4
57.03432	16.5
57.07053	2.7
65.03944	2.1
67.05498	68.1
69.07063	12.3
69.23942	13.1
71.04964	2.1
79.05483	31.9
81.07045	69.1
83.04973	1.3
83.08588	5.8
85.06522	1.3
91.05479	18.1
93.06477	2.6
93.07034	42.1
95.04961	2.3
95.08591	52.8
97.06512	1.8
97.10162	2.7
98.20756	1.8
105.07030	12.0
107.08582	22.2
109.06512	1.8
109.10149	24.7
117.06998	3.5
119.08589	10.5
119.20211	1.4
121.10131	20.2
123.11706	7.8
127.01476	1.3
131.08586	9.5
133.10101	8.4
135.11684	15.4
137.09639	1.7
137.13237	2.6
145.10100	6.2
147.11649	4.8
149.13225	10.0
159.11681	5.0
161.13252	6.3
163.14798	5.1
173.13235	3.7
175.14821	2.4
187.14810	4.2
201.16255	1.5
204.02916	1.2
215.51447	1.2
217.46187	1.2
229.80612	1.4
243.21114	5.4
251.58809	1.3
261.22128	8.8
317.24884	1.6
335.25763	100.0
336.26050	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	337.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28130	1.2
56.96561	56.7
60.25487	1.3
69.71793	7.1
70.98112	22.0
71.04989	1.3
71.95271	3.3
74.97609	4.0
81.33428	1.3
84.96025	10.0
85.02898	1.9
88.99150	13.3
98.97574	100.0
107.00201	2.2
107.89541	1.3
110.96835	2.4
110.97560	32.7
112.99107	14.6
115.00687	3.3
116.98610	46.5
124.95447	7.6
126.97107	1.2
128.98596	37.7
128.99567	1.9
131.00139	17.4
133.01726	5.8
134.99649	15.7
140.98586	4.9
142.96529	7.2
143.00151	5.4
144.98077	3.1
145.01697	2.7
146.99632	31.6
149.01237	8.7
151.02783	3.5
152.98599	5.7
153.00716	2.5
156.98080	2.0
158.99644	18.7
160.97607	3.5
161.01224	6.1
162.99147	3.4
165.00702	17.7
170.96008	9.2
170.99614	9.6
173.01282	1.6
174.99179	4.6
175.02785	6.5
177.00697	14.3
179.02325	2.0
183.01631	2.2
184.97563	6.0
187.02887	1.5
188.97054	27.1
188.98759	1.8
188.99103	1.8
189.00671	17.3
189.06120	1.7
190.98628	3.1
193.00200	4.3
193.03813	4.5
201.00687	3.0
202.98547	10.1
205.00203	4.1
206.98119	13.9
207.01657	8.7
212.97134	2.0
217.00215	2.6
217.03868	3.4
219.01762	29.4
220.99678	5.8
223.01221	4.8
224.99150	2.2
229.03802	2.2
230.98085	15.5
232.99626	2.3
235.01245	5.0
235.04849	2.3
237.02785	52.0
239.00815	1.6
244.99623	9.2
248.99165	5.7
255.03802	2.6
263.00690	20.1
277.02689	6.7
277.05859	9.3
281.01758	4.9
293.05374	1.7
295.03647	2.2
295.06964	39.2
295.10364	2.5
305.01932	2.8
313.04007	1.4
337.08090	15.9
340.37479	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.044
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	2.2
58.99857	3.9
69.03389	0.7
69.66113	2.4
69.66537	2.8
69.92138	0.7
70.00859	0.7
70.99849	1.8
77.00902	10.6
81.03404	1.2
82.99824	1.3
83.87034	0.7
84.96014	0.9
85.01391	0.7
85.19317	0.7
89.00883	6.0
94.99861	0.8
95.01933	3.7
98.97562	8.7
101.00876	14.8
103.02419	2.4
107.01907	1.5
109.02861	1.9
112.89597	0.9
113.00860	2.6
115.02427	3.0
116.98614	4.4
119.01907	29.9
120.07344	0.8
121.03438	1.5
127.02370	5.5
128.98615	0.8
131.01883	16.0
133.03441	2.3
134.99670	1.4
135.01357	4.1
137.02930	2.6
139.02380	7.8
142.03441	0.9
143.00180	1.1
143.01897	6.1
145.03447	34.3
149.02962	4.8
151.04590	1.0
153.02406	3.3
155.01903	6.5
157.03441	41.1
158.03592	1.2
159.01437	1.5
159.03162	0.8
161.02924	8.1
163.04509	5.1
167.01929	2.8
169.03473	4.2
171.01349	2.5
171.04945	1.2
173.02939	16.6
175.03059	1.4
175.04482	8.3
177.00830	3.9
177.02324	1.4
179.01976	0.9
185.02946	13.4
187.04477	2.5
189.02437	2.6
199.04445	1.3
201.02467	1.0
203.03969	22.8
205.00203	3.1
211.06544	1.2
215.03976	2.5
216.99915	1.7
217.01900	19.5
219.01799	1.3
221.05038	77.0
222.05119	1.7
223.01318	1.0
223.04749	0.9
234.45370	0.8
235.01018	1.1
235.03056	6.9
235.06647	2.2
239.06091	100.0
240.06226	2.9
241.06198	0.9
244.06686	2.7
247.06636	22.6
255.03767	1.2
257.05014	1.4
257.40387	0.8
262.07684	2.0
263.06042	2.2
265.07669	29.4
273.04672	1.1
274.02792	1.1
275.06082	93.5
276.06293	1.9
277.04004	2.4
283.08691	0.9
284.96783	1.0
287.01315	1.1
288.09195	1.1
291.05566	13.4
293.07303	4.8
295.03308	0.9
295.08435	1.0
301.03934	1.7
312.96594	1.9
319.05066	74.0
320.05142	1.7
325.00476	1.0
330.14758	0.9
333.01517	1.3
337.06058	44.4
337.10562	16.5
346.02182	0.9
355.07248	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	337.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98577	1.3
56.96550	2.3
58.99853	3.7
59.15552	1.6
59.17308	1.6
67.64237	1.4
69.44820	12.5
70.99831	2.6
77.00903	12.1
82.99828	2.8
89.00896	5.9
94.99861	1.8
95.01936	3.2
98.20781	2.8
98.97585	7.1
101.00871	19.9
103.02438	6.7
104.14176	1.4
105.36174	1.5
109.02869	1.9
113.00881	4.7
115.02473	1.8
116.98613	4.5
119.01045	1.9
119.01912	39.4
121.03469	3.9
127.02408	8.9
128.98573	1.7
131.01891	24.7
133.03452	4.3
134.29744	1.3
135.01363	2.8
137.02940	5.7
139.02425	6.3
143.01877	8.5
145.03452	64.0
146.03621	4.6
147.01398	3.2
149.02968	5.3
153.02435	2.0
155.01880	14.0
157.03456	48.5
158.03503	3.1
159.04947	1.4
161.01187	1.6
161.01582	1.7
161.02956	11.0
163.04500	9.0
168.05092	2.2
169.03455	4.9
171.01396	8.7
173.02959	34.9
174.03139	1.8
175.00858	1.7
175.04468	11.2
177.00807	3.2
178.23485	1.4
185.02919	16.0
186.03094	1.9
187.04407	3.4
189.02498	9.1
191.03935	1.6
197.03050	2.5
199.00885	4.0
201.02434	1.7
203.03981	25.9
205.00157	4.9
206.98265	1.6
211.06592	1.6
215.62193	1.4
217.01920	57.5
218.02051	4.3
221.05051	72.4
222.05319	4.0
229.01875	10.7
235.03026	29.6
235.06654	4.5
236.03128	2.1
239.06104	97.4
240.06215	6.7
244.06754	2.7
247.02910	5.3
247.06670	24.7
253.04100	4.0
257.05054	2.2
258.04550	1.8
262.07678	2.5
265.07681	32.4
266.07944	2.6
275.06116	100.0
276.06229	6.3
277.03876	7.1
291.05573	12.1
293.07193	5.8
301.03986	2.3
312.96573	4.0
315.00269	1.5
319.05072	88.1
320.05338	7.0
333.01471	2.2
337.02017	3.0
337.06097	55.1
337.10748	46.4
338.06503	3.2
342.06323	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	337.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98577	1.3
56.96550	2.3
58.99853	3.7
59.15552	1.6
59.17308	1.6
67.64237	1.4
69.44820	12.5
70.99831	2.6
77.00903	12.1
82.99828	2.8
89.00896	5.9
94.99861	1.8
95.01936	3.2
98.20781	2.8
98.97585	7.1
101.00871	19.9
103.02438	6.7
104.14176	1.4
105.36174	1.5
109.02869	1.9
113.00881	4.7
115.02473	1.8
116.98613	4.5
119.01045	1.9
119.01912	39.4
121.03469	3.9
127.02408	8.9
128.98573	1.7
131.01891	24.7
133.03452	4.3
134.29744	1.3
135.01363	2.8
137.02940	5.7
139.02425	6.3
143.01877	8.5
145.03452	64.0
146.03621	4.6
147.01398	3.2
149.02968	5.3
153.02435	2.0
155.01880	14.0
157.03456	48.5
158.03503	3.1
159.04947	1.4
161.01187	1.6
161.01582	1.7
161.02956	11.0
163.04500	9.0
168.05092	2.2
169.03455	4.9
171.01396	8.7
173.02959	34.9
174.03139	1.8
175.00858	1.7
175.04468	11.2
177.00807	3.2
178.23485	1.4
185.02919	16.0
186.03094	1.9
187.04407	3.4
189.02498	9.1
191.03935	1.6
197.03050	2.5
199.00885	4.0
201.02434	1.7
203.03981	25.9
205.00157	4.9
206.98265	1.6
211.06592	1.6
215.62193	1.4
217.01920	57.5
218.02051	4.3
221.05051	72.4
222.05319	4.0
229.01875	10.7
235.03026	29.6
235.06654	4.5
236.03128	2.1
239.06104	97.4
240.06215	6.7
244.06754	2.7
247.02910	5.3
247.06670	24.7
253.04100	4.0
257.05054	2.2
258.04550	1.8
262.07678	2.5
265.07681	32.4
266.07944	2.6
275.06116	100.0
276.06229	6.3
277.03876	7.1
291.05573	12.1
293.07193	5.8
301.03986	2.3
312.96573	4.0
315.00269	1.5
319.05072	88.1
320.05338	7.0
333.01471	2.2
337.02017	3.0
337.06097	55.1
337.10748	46.4
338.06503	3.2
342.06323	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	337.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
53.20997	0.6
55.01873	0.7
56.96561	69.4
57.03428	2.9
59.04992	0.7
61.02920	2.8
69.03428	3.9
70.23940	2.8
70.98118	21.1
71.04975	0.7
71.95262	3.3
72.96041	1.4
73.02911	1.7
74.97602	2.1
81.03402	1.8
83.04986	0.8
84.96030	9.4
85.02903	7.5
88.99155	11.5
91.03953	0.7
97.02882	5.3
97.96756	0.7
98.97575	100.0
99.04479	1.0
100.99147	2.0
101.00838	1.6
107.00180	2.4
107.01596	0.8
109.02860	0.9
110.97560	27.7
112.02177	1.3
112.99121	27.0
113.00835	0.8
113.99544	0.6
115.00700	2.1
116.98615	50.2
117.03989	0.7
119.00144	1.0
119.01897	2.5
121.01667	1.3
124.95477	5.8
124.99104	1.1
126.97006	1.1
127.00655	0.9
127.02386	0.7
127.03911	1.7
128.98596	39.6
131.00162	32.5
131.01822	1.8
133.01717	7.5
133.03432	1.9
134.99641	15.3
140.00154	0.7
140.98586	5.6
142.96494	8.3
143.00140	5.5
144.98055	3.5
145.01686	2.8
145.03410	2.9
146.99637	33.6
147.05005	4.7
149.01212	18.3
151.02751	3.2
152.94922	1.3
152.98602	3.5
153.00711	0.7
154.01712	0.8
155.00110	1.2
156.98071	2.2
157.01575	1.0
157.03448	1.2
158.99643	16.6
159.04987	1.1
160.97575	3.7
161.01196	6.6
161.02876	1.8
162.99124	2.5
163.02782	1.8
165.00713	19.6
165.06001	0.8
167.02322	1.7
170.96019	6.2
170.99637	7.7
171.04977	1.7
172.97559	1.5
173.01207	2.6
173.02892	1.9
173.50244	0.6
174.99165	5.3
175.02777	6.9
175.04250	1.1
177.00720	17.4
177.04173	0.9
178.04897	0.8
179.02225	2.7
183.01701	1.7
184.97565	5.2
185.03004	1.0
186.99164	1.2
187.02695	2.2
188.97066	23.7
189.00693	19.8
189.04518	1.1
189.06088	6.6
190.98593	2.7
191.02229	3.1
193.00227	5.5
193.01811	0.8
193.02126	0.9
193.03822	8.2
195.01768	2.0
198.99144	1.0
200.02306	1.0
201.00626	4.2
201.06044	2.1
202.98633	11.3
203.02142	1.2
203.03951	1.3
203.07581	1.1
205.00206	6.5
205.01974	1.1
205.03799	1.1
206.98117	11.0
207.01724	13.4
207.12105	0.6
209.01196	1.0
209.03398	0.7
211.03027	0.9
211.04807	3.4
212.97067	3.2
214.98599	1.0
217.00177	5.5
217.03818	3.2
219.01750	31.8
219.05081	1.0
220.99672	7.2
221.04993	2.0
223.01208	6.0
224.99074	1.9
225.02754	1.3
225.06075	1.6
226.98700	0.8
227.04066	1.4
229.03799	1.2
230.98096	19.8
231.07137	0.9
232.99570	2.3
234.06096	0.8
235.01282	5.7
235.04826	2.5
237.02808	54.8
239.00647	1.9
242.03311	0.8
244.99675	14.5
245.04930	0.8
248.99196	10.4
249.02768	2.4
253.02133	0.9
253.99661	1.0
255.03960	4.0
260.04266	1.1
263.00732	43.7
264.00958	1.5
265.05859	1.6
267.03738	2.0
275.04358	5.1
277.02222	12.8
277.05853	20.2
277.08948	1.5
278.06055	1.0
279.09125	1.2
281.01804	8.6
281.04935	0.9
281.08755	0.8
286.02307	2.1
291.09131	2.0
293.05417	7.7
295.03568	3.8
295.06967	63.6
296.07135	1.8
303.25250	0.7
305.01724	2.9
318.08359	1.9
329.89545	0.7
337.08072	36.5
337.13174	1.3
355.09045	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	337.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	9.9
56.89682	2.4
61.02917	15.1
61.33667	2.8
65.07137	2.7
68.99803	2.5
71.52839	4.8
72.81276	2.7
74.55988	2.7
81.03395	4.3
83.01317	5.7
84.42461	2.8
85.02872	3.6
91.05479	5.8
94.48059	2.9
95.04977	3.2
97.04006	4.9
98.14064	2.7
101.02348	7.8
102.04708	4.4
103.05464	29.8
105.06992	6.9
107.04897	3.7
109.75800	3.1
113.03874	3.2
115.05431	16.1
117.07017	5.2
118.04147	11.7
118.95580	2.6
119.04959	7.2
128.06250	4.9
129.07011	7.1
130.04137	9.7
131.04921	100.0
131.08527	3.4
132.05664	3.1
133.06465	8.1
135.04390	3.1
141.07001	13.6
143.04930	4.4
143.86484	3.0
144.05666	3.7
145.06454	13.4
145.23090	2.7
146.03577	13.4
147.04398	9.5
148.05220	5.2
155.03485	4.9
155.04919	8.9
157.02844	10.8
157.06487	16.2
158.03616	4.1
158.06015	5.4
158.07216	4.4
159.04384	18.3
159.08131	4.5
160.05183	5.5
161.05952	27.7
163.03909	22.1
165.05559	3.1
168.05711	4.3
169.06438	21.4
171.04425	13.3
173.05963	13.9
174.03136	5.7
175.03906	11.3
175.07407	4.7
175.08701	13.6
176.04675	17.4
177.05417	6.7
178.06224	6.6
181.04951	5.7
183.04425	4.4
185.05969	10.1
186.06744	7.3
187.03880	53.3
187.07536	13.2
188.04683	10.9
189.01837	19.0
189.05444	29.2
190.06224	3.6
191.07018	83.1
192.04047	3.8
193.08641	9.0
197.06024	19.3
199.03900	8.1
200.04686	6.9
201.05568	6.1
201.09171	5.4
202.02594	3.8
202.06235	3.6
203.03363	11.6
203.07031	6.7
204.04187	45.4
204.07784	3.6
205.04889	8.6
205.08620	8.7
206.05797	5.2
213.05391	7.4
214.06206	6.8
215.06985	26.1
215.55753	3.1
216.04060	9.5
217.04938	20.1
217.08508	7.3
218.05771	17.6
219.06517	78.3
221.08055	11.3
229.08595	14.7
230.05676	3.0
231.03003	7.8
231.06480	11.6
232.07323	3.7
233.08113	10.0
234.05243	11.2
235.05998	13.1
241.04875	5.4
242.05673	6.4
243.06564	17.4
244.03741	3.6
245.04419	33.8
245.08127	16.9
247.09721	13.6
249.07570	10.0
257.08029	17.2
259.06021	7.5
260.06772	36.1
261.07651	7.5
262.04678	25.8
263.05432	22.4
273.07584	11.7
275.09094	76.5
277.07047	85.3
278.07437	3.2
287.05322	13.3
291.08511	6.0
301.07101	10.5
319.08102	22.8
319.11697	3.4
337.09216	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	337.1068
Annotation	(+)-Hatomarubigin A
Peak:m/z	Relative Intensity
53.03928	1.7
53.12899	0.8
55.05522	1.0
56.96555	0.9
67.05518	1.3
69.07054	1.6
69.98306	0.9
71.04991	6.7
71.29575	2.0
77.03905	1.4
79.05492	5.6
79.38205	0.8
81.07046	2.6
91.05492	2.6
91.86794	0.9
93.07034	1.2
95.04979	2.0
95.08604	1.5
99.89128	1.0
103.05457	10.4
105.03403	1.1
105.07088	1.0
107.04952	1.7
107.08669	1.0
111.04401	1.1
115.05457	3.1
117.06979	1.3
119.04951	2.2
119.08588	1.1
123.04449	0.9
128.06239	2.8
129.06999	16.2
131.04924	28.1
131.08528	1.0
131.13199	0.9
133.02832	3.0
135.04408	100.0
136.04703	1.1
139.05383	1.1
143.04979	1.8
145.06482	1.5
147.04396	6.2
149.02373	1.9
149.05972	7.9
151.03999	1.6
151.07547	1.2
152.06230	1.7
153.07034	2.3
157.06473	6.7
159.04375	3.1
161.05962	14.1
163.03955	4.4
165.06975	1.6
167.04948	1.1
167.94635	0.9
172.05113	2.1
173.05978	13.0
174.06694	1.0
175.03937	4.0
175.07544	1.8
176.04642	2.8
177.05457	5.0
177.06900	1.3
181.06570	2.1
185.05972	33.7
186.06552	1.4
187.07507	10.7
189.05412	2.1
189.07018	1.4
190.07796	2.6
191.08534	5.0
193.10214	1.4
197.05980	4.9
202.07761	6.1
203.08542	33.7
205.06543	2.1
205.10100	2.0
209.05966	19.1
213.07010	1.1
215.06973	12.8
215.08749	1.3
218.07317	2.0
219.08049	9.0
221.05933	1.1
221.09651	2.0
225.05429	1.4
231.08034	28.0
232.08470	1.3
233.06027	1.4
233.09691	1.6
234.06862	1.6
235.07637	2.7
237.05447	13.0
238.06259	1.1
246.06776	8.4
247.07530	3.9
249.09102	10.3
259.07474	7.8
260.08307	1.7
261.09100	33.1
262.06262	3.7
262.09274	2.0
263.07114	1.9
266.05719	20.6
267.06506	38.9
274.06192	5.7
277.08536	10.9
279.06589	13.7
279.09802	1.7
281.08127	1.4
282.91541	0.9
289.08572	48.7
290.05905	1.3
290.09061	1.9
291.06464	1.5
292.07355	2.5
293.08160	2.8
303.06494	1.8
304.07272	5.9
307.09686	7.6
309.11276	2.2
319.06305	0.8
319.09637	26.8
337.10727	30.0
337.14380	2.8
355.18011	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.143
Annotation	Erypoegin B
Peak:m/z	Relative Intensity
53.03928	2.2
55.05492	1.6
56.96554	1.5
57.07049	1.5
65.03904	2.4
66.35126	1.1
67.05492	3.1
69.07052	3.0
71.14302	2.9
79.05486	8.6
81.07028	5.2
91.05460	10.6
93.07038	7.4
95.04944	4.0
95.08615	3.5
103.05453	12.9
105.03401	1.4
105.07013	6.3
107.04932	8.2
107.08605	2.1
108.05715	1.4
108.37026	1.4
109.10146	2.7
115.05449	7.3
117.07000	5.5
119.04928	4.2
119.08553	3.3
121.06503	13.7
121.10116	2.4
122.07302	2.9
128.06166	1.5
129.06958	5.4
131.04904	28.5
131.08478	2.1
133.06447	2.3
135.04393	80.4
136.05078	2.5
137.05891	1.7
141.06984	2.8
143.04916	3.5
145.06456	4.7
145.10075	1.5
146.07245	21.1
147.04408	2.6
147.08011	3.7
147.11620	1.2
149.05962	87.6
150.06761	8.3
151.07521	58.2
157.06454	4.5
158.07240	2.6
159.04424	1.6
161.05966	53.1
161.13193	1.5
162.06676	3.7
163.07632	1.5
165.09093	100.0
166.09410	2.3
169.06453	1.6
171.07970	2.4
172.08693	1.5
173.05978	12.9
174.06786	6.8
177.09082	89.1
178.09422	1.6
185.05978	10.3
187.07536	4.1
189.09084	23.1
196.05333	1.6
199.07478	6.2
201.09108	6.4
203.08687	1.4
206.07303	1.5
207.07997	1.6
215.06776	1.3
215.08669	2.1
215.10634	21.5
221.09639	2.7
231.08008	1.4
232.08725	2.4
233.09546	8.0
234.06783	2.0
234.10121	1.4
235.07408	1.9
247.11162	2.6
248.12035	6.9
249.09094	4.0
251.06865	6.7
261.09091	7.3
263.10431	1.7
264.11450	2.1
265.08578	1.4
275.10614	4.3
276.11298	4.2
277.08572	4.7
278.09207	1.6
279.06458	2.3
279.10339	2.6
279.13776	7.3
282.08847	5.3
289.08743	1.5
289.12503	1.1
290.09409	1.4
291.10132	10.3
292.10791	2.5
293.08105	1.6
295.09601	20.6
305.08231	2.5
305.11673	4.9
306.12479	22.9
307.09570	5.5
307.13211	8.7
308.10394	4.8
309.11163	3.5
322.12152	6.4
327.63385	1.4
337.10745	6.0
337.14282	94.5
338.14584	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	337.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97892	1.2
53.03933	3.6
55.01867	4.6
55.05508	23.9
57.03431	16.0
57.07073	19.3
61.02913	3.8
67.05497	22.2
69.03423	16.5
69.07061	17.7
69.19357	14.8
71.01340	3.7
71.04984	9.4
73.02910	11.6
73.06548	5.5
75.04462	1.7
79.05486	29.2
81.03400	5.7
81.06591	2.2
81.07052	40.3
83.04980	8.3
83.08612	10.3
85.02893	11.6
85.06534	27.5
85.88651	1.1
87.04461	4.2
91.05480	16.2
93.07039	15.0
95.04970	6.8
95.08601	14.9
97.02891	2.2
97.06543	7.2
97.10152	3.0
99.04459	7.4
99.08119	5.7
103.03947	5.5
103.07561	3.5
105.04459	1.2
105.07021	3.0
107.08591	8.6
109.06508	21.7
109.10140	1.7
111.04433	6.0
111.08069	38.7
113.06003	1.5
115.03971	6.0
115.07560	3.9
117.07007	2.7
121.10112	1.9
123.08068	4.1
125.09608	6.3
127.07539	15.7
129.05475	1.8
129.09125	4.3
133.10124	31.1
135.08051	5.2
141.09128	2.3
144.04010	1.2
147.02678	1.1
149.09605	100.0
150.09956	3.9
151.07605	1.4
153.09088	23.5
171.10156	23.0
171.11642	1.8
172.10400	1.9
173.32452	1.2
178.42194	1.1
189.11208	5.5
190.12234	1.4
260.68130	1.2
280.72977	1.2
337.14001	1.4
337.27142	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	337.2369
Annotation	11S,12R-Epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
Peak:m/z	Relative Intensity
51.68907	2.9
52.03623	3.2
52.26546	3.1
53.03952	7.6
53.13238	3.1
55.05503	69.7
57.03439	6.7
57.07068	65.0
59.04995	3.4
61.02935	6.2
65.03890	3.2
67.05492	37.3
69.03412	14.3
69.06678	3.7
69.07062	63.7
70.18127	3.5
70.18427	15.4
71.04985	29.1
71.08617	3.2
79.05482	31.6
81.03403	6.6
81.07047	95.4
83.04958	33.4
83.08606	13.2
85.06537	42.6
91.05482	30.8
93.07034	78.7
95.04957	29.6
95.08596	83.1
97.06538	20.9
97.10162	66.0
99.04455	6.6
99.08047	4.1
101.06001	27.8
103.05478	4.3
105.07014	56.1
107.08573	60.7
109.06496	20.3
109.10136	41.1
111.08082	12.4
111.11709	6.2
113.09613	4.0
115.07570	4.7
117.07015	10.3
119.04962	4.0
119.08566	46.5
121.06549	8.0
121.10120	51.0
123.08068	11.9
123.11662	16.1
123.23509	3.0
125.06002	4.3
125.09654	18.6
127.07545	13.7
127.11237	5.0
129.06961	16.9
131.08588	24.6
133.06480	7.2
133.10115	40.9
135.04395	24.9
135.08020	8.2
135.11652	30.0
137.05962	4.9
137.09618	29.3
137.13271	8.0
139.11150	21.8
141.09058	5.9
142.07762	11.5
143.08559	19.6
143.10698	14.7
144.09317	4.9
145.10144	30.6
147.08043	9.5
147.11668	31.0
149.09605	18.9
149.13252	22.6
151.07582	6.1
151.11150	19.7
153.09126	3.5
153.12746	7.7
155.08498	7.7
156.09286	4.7
156.62854	3.6
157.10147	24.0
157.12260	7.8
159.08058	5.5
159.11656	24.3
161.09637	34.9
161.13252	10.3
163.11195	19.1
163.14764	3.8
165.12769	10.8
169.10068	5.5
171.11700	20.1
173.09569	5.5
173.13277	12.8
174.10474	4.0
175.11227	14.3
175.14793	9.0
177.12738	22.7
181.12201	7.9
183.11694	5.2
185.05952	5.7
185.09541	4.4
185.13257	14.0
187.14828	5.9
189.12775	6.1
189.16417	4.3
191.14287	43.9
193.15916	10.1
195.11833	3.3
195.13873	4.1
197.13306	5.9
199.14804	10.4
201.12688	5.3
201.16341	4.8
202.07701	4.0
203.08595	4.5
203.14301	15.5
204.15112	8.5
205.15874	32.5
209.05994	4.0
213.16418	13.0
215.07019	4.4
215.14340	4.3
215.17880	4.0
217.15851	100.0
219.07979	3.9
219.13872	5.7
219.17433	22.0
221.15378	7.4
231.08252	7.4
231.17430	95.6
234.06760	6.7
235.16891	5.8
241.19470	9.8
243.17459	5.6
246.06871	3.4
247.07388	3.4
251.06979	3.2
253.81641	3.4
255.21075	4.3
259.20520	43.4
261.09024	3.9
267.06448	5.6
273.22113	9.1
277.08545	7.0
279.06400	3.8
283.20602	13.4
289.08627	13.4
289.21539	6.0
291.22971	6.2
293.21292	6.3
301.21613	40.2
319.09613	7.9
319.19205	3.2
319.22623	92.1
319.26294	4.1
320.23199	4.4
337.10608	21.1
337.23911	24.4
338.10861	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	337.2734
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03928	2.5
55.01852	1.0
55.05507	37.5
57.03160	1.4
57.03432	24.1
57.07067	5.8
65.03934	4.6
67.05497	80.1
68.05818	2.0
69.07062	46.1
70.07346	0.9
71.04980	2.2
71.08600	2.2
73.06521	1.2
76.73093	0.8
79.05486	22.0
81.07047	74.8
82.07383	1.6
83.04964	1.6
83.08611	21.5
85.06521	2.2
85.10193	1.4
90.74364	0.8
91.05464	14.0
93.07035	18.6
95.04945	1.5
95.08597	62.1
96.08923	1.3
96.22656	0.8
97.06532	4.2
97.10159	12.8
99.08089	1.0
105.07015	12.0
107.08583	11.4
109.06490	1.4
109.10146	24.1
111.08077	2.3
111.11697	2.7
113.09560	0.8
117.03531	0.9
119.08565	7.2
121.10126	9.9
123.11691	10.8
123.36494	0.9
125.09618	1.5
133.10109	8.0
135.08028	1.6
135.11691	5.7
137.09581	1.4
137.13229	5.1
139.11148	0.9
140.75507	0.8
147.11621	5.3
149.13237	3.2
150.09406	0.8
151.11128	1.1
151.14796	2.5
161.13266	5.2
163.14792	2.6
175.14845	3.0
177.16312	1.0
189.16399	1.5
215.42458	0.8
245.22600	3.2
263.23694	5.1
276.21469	0.8
337.27332	100.0
338.27524	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	337.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
53.52896	1.6
55.01842	1.8
55.05507	38.1
57.03436	28.8
57.07061	7.2
65.03934	2.8
67.05499	82.9
68.05840	2.3
69.07063	51.8
69.33971	4.5
69.34388	9.4
71.04980	2.6
71.08614	1.9
79.05486	22.6
81.07048	83.9
82.07369	1.7
83.04989	1.8
83.08613	23.8
85.06532	3.6
90.85436	1.3
91.05459	15.1
92.48171	1.5
93.07032	24.1
94.07371	1.5
95.08598	64.1
97.06512	4.6
97.10163	11.3
98.21449	3.2
99.08056	1.6
105.07011	10.0
107.08567	11.7
109.10137	23.1
110.10436	1.7
111.11736	1.9
119.08559	9.0
121.10129	9.6
123.11703	11.4
125.09681	1.7
133.10123	6.4
135.11697	6.6
135.48419	1.4
136.11998	2.0
137.09570	1.6
137.13255	5.6
144.65314	1.5
147.11694	8.7
149.13245	4.4
151.07526	5.2
161.13271	4.5
163.14778	2.8
167.46448	1.6
175.14828	2.7
227.92081	1.5
245.22740	3.2
263.23645	4.8
337.14444	2.6
337.27328	100.0
337.31610	3.5
338.27649	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	337.9704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.0
56.96563	62.2
59.08697	3.4
61.02908	5.8
69.03417	4.7
69.48007	30.4
71.95232	6.5
76.32394	3.5
85.02894	8.0
97.02856	10.0
98.97567	96.1
99.97902	9.4
114.92398	3.4
115.02473	5.0
116.98612	100.0
117.98951	7.2
119.01921	41.9
120.01973	9.1
120.03578	4.0
121.01654	6.9
128.98575	7.1
131.01889	4.3
132.96542	4.0
134.99644	87.3
135.99948	7.0
137.02979	17.3
139.02614	6.1
142.03490	14.2
146.99619	12.2
153.00754	19.3
157.03374	4.3
160.04559	5.0
162.02928	3.7
162.99135	3.9
170.98999	19.6
173.63628	3.7
174.97530	7.5
177.00885	30.3
178.01024	7.4
179.00645	13.1
182.53490	4.0
189.00032	25.7
192.98653	9.0
197.00636	9.1
198.98050	4.9
205.00194	11.5
206.00539	10.3
212.92218	9.1
213.00055	14.0
214.48695	4.2
215.01556	8.3
216.98657	39.2
217.04016	5.8
217.98657	4.6
219.01976	17.0
221.01765	6.3
227.01717	11.4
230.93300	22.1
231.01233	5.6
232.96664	5.3
234.99727	95.1
235.01932	6.8
235.99704	6.3
236.01826	4.4
245.03593	5.8
248.94382	11.9
254.93285	19.5
255.01195	11.2
256.96613	19.3
257.96988	6.9
258.01328	5.8
258.96304	13.3
259.92792	5.7
259.96530	3.6
260.96265	5.0
261.02997	10.1
262.03088	4.8
263.02872	5.5
267.41608	5.0
272.94385	95.8
274.97589	11.7
275.94363	4.0
275.97983	3.6
287.01263	4.8
288.92221	4.4
290.91953	7.4
290.95343	56.1
292.94290	4.0
296.94498	5.9
309.93414	4.4
310.92288	5.4
311.95844	21.1
312.45975	10.0
312.96054	4.3
313.97043	7.7
314.95428	79.1
314.99997	6.7
315.03290	7.9
315.95508	4.9
320.96652	5.2
323.46732	9.2
332.97003	4.2
333.01349	6.6
337.97049	4.8
355.93832	4.5
356.96985	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	339.1073
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03938	2.4
56.44936	0.4
57.03426	0.9
58.14192	0.3
69.03427	7.0
71.04977	1.0
71.36899	0.8
73.02905	1.0
78.04726	0.4
79.05486	0.6
81.03411	18.5
85.02895	5.5
86.66467	0.4
89.03909	8.1
91.05479	4.0
93.07080	0.5
95.04939	1.0
97.02881	1.6
99.04456	1.8
105.07018	1.1
106.04141	0.5
107.08707	0.4
109.02876	6.5
117.03370	22.9
118.03596	0.4
119.04964	0.6
123.04428	0.5
127.03928	2.2
132.95830	0.6
134.03612	1.7
135.04407	2.6
137.06024	0.7
145.02835	60.8
146.03169	1.1
147.04384	1.3
149.05972	8.5
158.97385	0.8
162.03055	0.6
163.03853	2.2
177.05457	100.0
178.05815	2.1
186.05452	1.0
191.03374	3.5
195.01033	0.5
195.06502	2.7
219.02863	5.4
219.07721	0.4
234.99013	2.3
251.52608	0.4
303.04837	0.7
321.09662	16.2
322.09998	0.7
339.05020	1.4
339.10770	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1071
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.22744	1.0
69.58575	6.6
80.56075	0.8
82.12790	1.0
82.55621	0.9
91.05476	13.5
117.03375	1.2
119.04934	23.2
145.02849	2.6
147.04396	100.0
177.05392	4.6
241.21767	0.9
321.09747	1.0
321.53366	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03944	2.2
55.01862	0.8
57.03431	1.0
63.02364	0.5
69.03424	5.8
70.52599	1.0
70.52985	0.9
71.04985	0.6
73.02911	1.2
81.03412	17.1
81.07045	0.6
85.02896	5.1
89.03914	7.2
91.05480	0.8
95.08583	0.4
97.02882	1.6
99.04415	2.1
103.05435	0.5
105.07011	0.5
106.04132	0.8
107.08568	0.5
109.02866	6.0
117.03371	25.1
127.03886	2.3
134.03648	2.6
135.04372	1.4
139.00441	0.4
145.02834	55.4
146.03180	0.7
149.05966	8.0
157.54355	0.4
163.03859	0.9
177.05457	100.0
178.05722	2.1
180.11731	0.4
186.05464	1.3
195.06540	3.1
196.88120	0.5
196.99565	0.4
218.11163	0.4
275.89676	0.4
279.08688	0.4
285.25952	0.4
321.09662	18.3
339.10934	1.9
348.12228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49399	0.3
53.03926	2.1
57.03418	1.1
60.53152	0.5
63.02359	0.7
67.05511	0.5
69.03414	5.2
69.07076	0.7
70.97984	0.9
71.04958	0.6
81.03409	15.0
81.07044	1.7
85.02890	5.1
85.06524	0.6
89.03907	7.7
91.05476	1.0
93.07020	0.7
95.04938	0.6
95.08578	1.3
97.02883	1.3
99.04431	1.6
105.07027	0.6
106.04153	0.6
107.08549	0.9
109.02862	5.1
113.53117	0.4
117.03364	23.0
118.03693	0.4
121.10125	0.7
123.11678	0.4
123.28542	0.5
127.03900	1.6
134.03606	1.8
135.04393	1.5
137.05994	0.7
145.02821	55.5
146.03174	0.9
149.05952	8.2
162.03154	0.7
163.03885	1.0
167.10689	0.4
173.13226	0.5
177.05441	100.0
178.05739	1.7
186.05490	1.5
194.11783	0.4
195.06433	2.2
285.07367	0.8
307.09753	0.5
321.09625	13.8
321.24384	0.5
338.04999	0.5
339.11655	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1225
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
50.77769	1.0
51.02383	1.0
51.36206	1.2
55.01846	1.4
55.05497	1.1
65.03928	1.5
66.29285	0.9
67.05491	1.3
69.03410	1.4
69.07054	2.0
71.52489	1.8
79.05477	6.9
81.03423	1.9
81.07033	2.8
82.63950	1.0
89.03899	2.1
91.05472	7.3
91.75548	1.2
91.92356	1.0
93.03413	1.8
93.07039	2.2
95.04951	2.5
95.08598	3.1
103.05470	7.3
105.07024	9.0
107.04965	5.1
107.08598	1.7
109.02835	1.1
111.04454	5.6
115.05412	1.7
117.03375	3.2
117.06992	2.1
119.04908	5.8
121.10225	1.1
123.04404	3.7
129.06958	4.0
131.04906	10.0
131.08534	4.1
133.06474	5.5
133.10075	1.3
135.04405	100.0
135.11667	1.5
136.04770	2.1
137.05951	4.0
141.06961	2.0
145.02826	9.0
145.06450	4.1
147.04404	13.0
149.02377	6.6
149.05977	18.4
151.03897	14.5
151.07512	4.0
157.06447	3.1
158.99591	1.0
159.08086	6.7
161.05989	8.6
163.07555	8.1
165.05484	6.9
165.09010	1.1
169.06461	1.7
173.06000	1.5
175.07555	3.1
177.05452	16.3
179.07005	1.9
187.07529	10.6
189.09088	8.3
190.07724	3.4
199.07478	6.8
201.09067	2.7
203.07036	10.8
203.08730	1.4
205.10062	4.8
215.06833	1.3
217.08586	3.4
218.07225	4.5
233.05966	1.2
233.09633	10.3
246.06802	1.2
247.07512	2.3
248.08389	2.6
249.09071	1.3
261.09073	7.1
262.06415	1.8
262.09531	1.7
263.06943	1.5
263.10645	5.7
266.05719	1.1
275.06955	2.3
276.07712	4.1
279.06458	2.0
279.10052	1.3
291.10098	12.4
292.07266	4.0
292.10434	1.8
293.08261	1.9
293.11508	2.5
306.08881	5.9
308.14005	1.5
309.11066	2.2
310.87534	1.3
321.11224	32.3
322.11426	2.5
324.13571	2.0
339.08325	1.7
339.12204	28.7
339.15958	6.2
339.23273	1.8
340.12778	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13808	0.8
53.03931	2.1
55.01868	1.8
65.93253	0.8
69.03436	0.8
69.55399	5.8
77.85195	0.7
79.05488	6.0
80.23734	0.7
81.03405	0.9
81.07084	1.0
89.03912	1.4
91.05467	6.5
93.07026	1.0
95.04963	1.4
95.08578	0.9
96.64516	0.8
98.20730	0.9
103.05456	10.3
105.07019	57.0
106.07364	1.0
107.04960	4.2
109.06525	1.5
115.05444	15.8
117.03370	2.5
117.07022	4.5
118.04160	4.4
119.04909	1.3
121.06516	5.5
128.06197	4.4
129.06984	2.2
131.04898	4.5
132.05708	2.4
133.06473	45.9
134.06931	1.1
135.04407	2.0
136.05162	4.6
137.05945	3.2
141.06981	17.4
141.08000	1.4
143.04938	2.6
143.06038	2.9
145.02817	5.2
145.06453	4.0
146.07249	7.0
147.07996	2.2
149.05994	1.0
150.06700	1.7
151.07526	18.6
157.06461	1.2
158.07295	9.5
161.05962	100.0
162.06741	5.0
163.07581	4.1
165.09067	5.5
169.06471	16.6
169.07835	1.3
170.07288	1.6
171.04416	2.2
173.09605	9.7
175.07497	9.7
177.05479	6.8
177.09087	10.5
178.09868	6.5
185.05942	4.1
186.06737	42.1
187.07176	1.6
189.09108	1.0
191.08772	0.9
191.10564	1.5
201.09087	48.1
202.09454	1.3
215.08575	1.6
215.10646	1.4
219.08043	1.3
221.09715	1.6
231.07945	0.8
232.08824	1.3
233.09541	3.8
238.06226	0.8
247.07368	0.8
247.11136	1.9
248.08331	1.4
248.11920	2.4
249.09090	2.8
250.09981	1.0
261.09024	3.8
263.10605	1.0
264.07996	1.0
264.11429	1.7
272.57260	0.8
275.10626	2.6
276.11490	3.3
277.08591	1.7
278.09296	2.1
279.10416	1.0
279.13675	4.8
291.10114	1.8
292.10712	1.5
293.11813	4.5
295.09720	1.6
307.13239	6.4
308.14011	3.5
309.11209	3.0
310.11963	2.8
324.13480	4.3
336.56387	1.0
339.12225	1.5
339.15829	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	339.1587
Annotation	Licoagrocarpin
Peak:m/z	Relative Intensity
51.02383	0.9
53.03927	2.4
55.01869	1.0
55.05495	2.8
55.06569	0.9
57.03408	1.3
57.07048	0.9
57.28924	0.7
67.05487	3.9
69.03420	7.3
69.07059	2.5
71.04974	0.9
71.52651	1.2
73.80715	0.9
79.05485	5.3
80.50940	0.9
81.03406	8.9
81.07056	6.1
83.04971	1.8
85.02892	3.4
85.06532	1.6
89.03911	6.8
91.05447	6.6
93.07042	4.1
95.04945	3.1
95.08574	5.5
97.02881	2.6
97.06490	1.1
97.10139	1.4
99.04442	1.6
103.05440	5.6
105.07013	9.8
107.04949	6.2
107.08601	3.0
108.05703	1.6
109.02858	4.8
109.06506	2.1
109.10152	3.0
111.11649	1.0
112.48756	0.8
115.05441	2.3
117.03368	23.5
117.06981	3.4
119.04901	2.2
119.08574	2.4
121.06492	8.9
121.10124	2.6
123.08041	1.6
123.11690	1.7
127.03912	3.8
129.06949	1.7
131.04916	8.4
131.08568	1.1
133.05479	1.2
133.06477	22.6
133.10098	2.3
134.03644	1.4
135.04396	63.8
135.08031	3.5
136.05229	4.9
137.05965	9.9
137.09653	1.3
137.13173	1.0
143.04852	1.0
145.02824	52.3
145.06465	8.0
146.03180	1.2
146.07254	7.4
147.04399	1.1
147.08058	7.2
147.11662	1.7
149.05963	12.2
150.06749	2.6
151.07526	55.5
157.06488	2.3
158.07260	1.0
159.08028	1.7
160.05161	1.7
160.08778	1.1
161.05995	5.5
161.13159	0.9
162.06694	1.7
163.03900	1.2
163.07510	11.3
165.05528	1.0
165.09088	8.2
171.08035	2.1
172.05222	1.7
173.05942	1.5
174.06802	1.0
175.07515	3.2
176.08275	1.8
177.05455	100.0
177.09055	35.8
177.36876	1.1
178.05792	3.2
185.06050	1.5
186.05417	1.9
187.07550	2.8
188.08218	1.3
189.07115	1.2
189.09094	5.1
190.07881	1.2
191.08612	1.9
191.10666	3.2
195.06517	2.6
201.09071	4.6
202.09645	1.1
203.10681	4.0
207.08107	1.3
211.07455	1.1
215.06966	1.5
215.10727	1.0
217.12267	1.7
218.07260	2.9
219.07965	5.9
221.05968	2.0
221.09567	1.6
224.08266	1.1
231.08101	1.0
232.08847	1.3
233.09578	3.8
234.06737	2.1
235.07509	3.3
236.08353	1.7
237.09082	1.5
239.07024	1.9
246.06793	2.1
247.07454	5.4
248.08228	1.5
249.09142	3.6
250.09727	4.0
251.10515	2.2
253.08633	1.9
254.09265	1.5
261.09113	4.5
262.06073	1.5
262.09958	2.8
263.06955	2.9
263.10654	1.3
263.42859	0.9
264.07767	4.8
264.11389	1.7
265.08533	3.5
265.12201	3.6
266.09308	2.2
275.07108	1.0
275.10529	1.8
276.11499	2.2
277.08670	2.9
277.12216	5.7
278.09308	3.4
278.12677	1.2
279.10104	9.4
279.13324	1.4
280.10669	2.1
281.08322	1.7
281.11673	3.3
282.08789	2.4
284.10446	1.9
285.07620	1.4
289.08624	1.3
291.09937	1.5
292.07513	1.5
292.10959	2.6
293.08270	1.6
293.11670	14.9
294.08795	1.2
295.09528	1.1
296.10413	1.3
297.11203	10.5
307.09595	9.8
307.13254	8.6
308.10480	1.2
308.13983	13.9
309.11154	7.6
309.14783	4.8
311.09433	1.0
311.12747	4.7
311.16177	1.4
320.56720	1.0
321.09836	9.9
321.14420	1.5
321.24026	1.0
324.09863	2.1
324.13464	11.5
339.12054	18.4
339.15891	50.3
339.22668	1.2
340.12546	1.3
340.16272	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1588
Annotation	Erypoegin A
Peak:m/z	Relative Intensity
53.03941	1.0
55.01867	1.4
55.05502	2.2
55.28887	0.6
57.03418	1.2
67.05481	1.1
69.03429	4.3
69.07044	1.8
70.72645	1.1
70.73019	1.2
71.04996	0.9
79.05476	3.0
81.03403	7.9
81.07047	5.1
85.02905	3.3
89.03909	5.7
91.05460	7.4
93.07024	1.8
93.90190	0.6
94.04175	4.4
95.04948	2.2
95.08591	2.5
97.02889	1.2
97.10158	2.5
99.04408	1.5
103.05439	1.2
105.07009	2.7
106.04153	0.6
107.04951	5.3
107.08571	2.2
108.05784	1.4
109.02853	3.0
109.06503	5.3
109.10131	1.8
113.39346	0.7
115.05448	0.9
117.03362	18.3
117.07018	0.6
119.04934	3.7
119.08569	1.9
121.06468	1.4
121.10134	1.2
122.03641	7.6
123.11681	0.9
127.03884	1.9
129.06978	0.9
131.04901	1.4
133.06511	1.0
134.03525	1.5
135.04405	3.8
135.11674	1.0
136.05173	6.7
137.05959	100.0
138.06282	1.2
141.06996	1.5
143.10635	0.9
144.05850	0.6
145.02824	38.3
146.03168	0.9
147.11745	0.9
149.05966	8.6
149.13193	0.7
150.06747	1.5
151.07524	58.7
152.07901	0.8
155.08514	0.8
157.06458	1.8
158.07275	1.0
161.05884	0.7
163.03917	1.8
163.07507	2.9
165.05663	0.7
165.06958	0.9
165.09094	7.1
169.06447	1.4
171.08032	4.8
172.08798	2.0
173.09633	0.9
174.23195	0.6
175.07542	1.5
177.05444	72.2
177.08884	1.5
178.05795	2.7
178.07741	0.7
183.08095	0.8
184.08777	1.3
185.05908	1.7
186.05296	1.0
186.06781	1.6
189.09027	0.9
190.07735	0.9
191.08516	0.9
195.06488	1.6
200.08325	2.0
201.09044	8.5
203.08566	0.8
204.09227	0.8
205.06491	0.7
207.08020	1.7
210.06758	1.0
211.07564	1.4
215.10641	28.0
216.11165	0.9
217.10045	0.7
218.07249	1.9
219.07983	2.2
220.08574	0.6
221.05920	0.9
221.09560	2.1
226.06409	0.9
232.08826	2.3
233.09579	4.9
234.06750	1.4
235.07477	2.7
236.08261	1.3
237.08949	0.9
238.06325	0.7
239.06967	2.2
241.08537	3.7
245.09666	0.8
246.06683	1.3
247.07431	2.6
247.11127	2.5
248.08215	1.6
248.11913	1.8
249.09038	5.9
250.09814	2.3
251.07001	0.7
251.10457	1.9
253.08574	6.3
254.09332	7.8
260.08289	1.0
261.09061	7.4
262.06317	0.6
262.09683	1.4
263.07004	1.7
263.10590	1.4
264.07758	2.9
264.11349	1.5
265.08527	2.5
265.12134	2.0
266.09268	0.8
267.06705	1.4
267.10034	2.1
268.07278	0.7
268.10880	1.3
269.08151	3.3
275.07858	0.7
275.10590	5.0
276.11423	3.7
277.08539	5.1
277.11865	1.1
278.09332	3.7
279.10123	3.4
279.13742	4.4
280.07361	0.8
280.10562	0.8
281.08054	2.6
281.11618	2.7
282.08838	9.9
284.10370	9.7
285.11084	1.1
289.08786	0.8
289.12109	1.1
291.10248	1.5
292.10806	6.6
293.08340	0.9
293.11679	13.3
294.08801	2.0
294.11942	0.8
295.09674	3.4
296.10428	2.0
297.11179	40.7
298.11530	1.9
303.23404	1.0
307.09549	4.8
307.13211	13.4
308.10529	0.8
308.14026	13.7
309.11139	9.3
310.12006	5.5
311.12717	7.2
315.16302	0.9
321.09512	7.6
321.24274	1.7
324.13480	9.6
339.12030	6.8
339.15836	74.0
340.16299	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	339.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01864	2.8
61.01108	1.3
67.05485	1.9
69.03419	5.9
69.96615	4.1
69.97021	2.6
72.97468	1.1
79.05493	9.5
81.03407	6.8
81.07056	3.4
85.02885	3.3
89.03897	6.1
90.33055	1.2
91.05459	7.3
93.07045	4.1
95.04964	3.0
95.08601	3.1
97.02881	1.1
99.04424	1.5
100.89483	1.1
103.05452	10.2
105.07014	58.8
106.07343	1.6
107.04941	8.5
107.08588	2.4
109.02863	3.7
109.06497	1.2
109.10146	1.6
115.05437	18.3
117.03369	16.2
117.06973	3.4
118.04120	4.0
119.04918	2.2
119.08592	1.9
121.06498	3.5
121.10120	1.9
123.04481	1.2
123.11727	1.4
127.03889	2.6
128.06218	4.3
129.06979	2.0
131.04909	4.1
133.06474	51.5
135.04393	2.7
135.08029	1.5
136.05162	2.7
137.05966	8.8
139.11133	1.3
141.06981	15.0
143.05006	1.5
143.06061	4.1
145.02832	41.6
145.06447	3.3
145.10101	1.6
146.03123	1.6
146.07259	4.9
147.08011	2.8
149.05959	9.3
149.09665	1.7
151.07510	13.8
158.07253	11.9
160.05173	1.6
161.05960	100.0
162.06541	4.4
163.07526	8.3
165.09090	6.4
169.06480	18.7
170.07225	2.1
171.07877	1.1
173.09598	14.9
175.07579	5.7
177.05455	72.2
177.08937	8.1
178.05817	3.7
178.09868	15.5
185.06006	3.2
186.06740	24.4
189.06914	2.1
191.08467	1.8
195.06374	1.5
201.09079	58.5
202.09450	2.2
215.96327	1.3
218.07280	2.7
219.08107	5.4
227.91133	1.3
232.08714	2.4
233.09587	3.5
234.06650	1.2
235.07565	2.6
236.08192	2.0
247.07532	5.3
247.10989	1.4
248.08286	1.7
248.11888	2.0
249.09032	4.5
250.06314	1.2
250.09804	2.0
251.10597	1.9
259.36581	1.2
261.09000	6.3
263.06909	2.1
263.10571	1.5
264.07913	2.0
275.10559	2.4
276.11346	2.8
277.08536	3.8
278.09283	2.7
279.10028	3.9
279.13821	3.6
280.10806	2.0
281.08246	1.5
281.11688	1.4
289.08685	1.5
291.10013	1.2
292.07437	1.4
292.10788	2.3
293.08038	1.5
293.11664	4.2
295.09641	4.4
307.09576	5.2
307.13290	9.0
308.10486	1.1
308.13910	4.2
309.11157	5.2
310.11737	1.9
311.12723	2.8
321.09494	7.2
324.13507	3.8
339.12042	10.1
339.15894	27.7
340.16147	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	11.1
55.01666	3.2
55.01867	39.3
55.05511	26.2
57.03434	25.6
57.07053	11.9
65.03936	4.7
67.05172	6.3
67.05501	90.2
69.03415	6.6
69.07056	27.0
70.06577	6.4
71.08638	6.9
71.13691	5.4
71.14031	8.1
79.05484	75.9
80.06228	4.1
81.03392	15.2
81.06584	4.8
81.07047	88.3
82.07365	4.7
83.04977	41.1
83.08607	16.7
85.06530	9.3
88.02367	3.6
88.07596	6.2
91.05477	77.7
91.54335	3.4
93.07040	59.0
95.04964	77.4
95.08597	44.6
97.02872	10.3
97.06541	10.3
97.10109	4.8
98.07310	7.0
103.05469	8.0
105.07017	65.5
107.04953	100.0
107.08563	34.0
108.05702	10.8
109.06525	47.9
109.10157	22.6
111.04405	12.3
111.08043	10.7
112.05187	11.2
113.05981	7.5
117.07017	38.2
119.04953	4.1
119.08571	41.2
121.06502	27.6
121.10144	15.1
121.25358	4.0
122.07301	24.9
123.04408	12.6
123.08041	5.4
125.05971	4.4
128.06172	13.6
129.07011	19.4
131.04901	7.1
131.08553	40.8
133.06468	24.0
133.10106	17.1
135.04439	5.3
135.08014	22.6
135.11707	8.0
136.05231	4.8
137.05952	13.3
137.09525	4.5
138.44612	4.0
141.06956	5.5
143.08521	19.2
145.06479	27.8
145.10097	25.5
146.07253	4.6
147.08052	38.6
147.11678	7.6
149.02350	14.7
149.05931	7.1
149.09573	11.6
149.13252	6.2
151.07527	24.3
155.08495	12.9
157.10075	4.3
158.07243	6.8
159.08032	7.8
159.11659	17.5
161.05960	5.5
161.09579	24.8
161.13150	4.4
162.06816	5.7
162.10339	4.4
163.07526	5.1
163.11150	11.1
165.09093	20.8
169.10072	5.7
171.11601	7.0
173.05954	8.4
173.09605	13.5
173.13216	16.2
175.07506	11.0
175.11194	7.7
177.05505	5.7
177.09074	6.6
177.12740	6.0
184.74547	4.3
185.05888	5.7
185.13271	4.8
186.06723	28.9
187.11057	5.7
187.14781	11.6
193.04968	37.6
197.13133	7.9
201.09070	27.5
205.15913	11.8
215.10474	4.8
215.14272	16.9
224.65633	18.5
233.15355	84.9
256.26315	10.0
265.17987	40.7
273.18384	14.9
290.18750	11.6
293.11646	5.3
304.20456	5.4
305.20804	8.5
307.13168	4.2
308.13953	9.1
339.12320	8.4
339.15933	40.7
339.23117	13.7
339.27640	80.7
339.77893	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	339.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00825	0.6
53.03928	2.7
55.01860	1.9
55.05501	6.3
57.03421	2.2
57.07054	2.6
59.04994	0.7
61.02909	0.6
65.03902	0.9
67.05497	5.4
69.03421	6.9
69.07052	7.1
71.04982	1.6
71.52146	1.0
73.02898	0.8
79.05491	4.5
81.03410	11.9
81.07047	17.3
83.04983	1.9
83.08605	2.4
85.02889	5.0
85.06532	3.0
89.03902	7.9
91.05468	3.7
93.07032	9.4
93.30242	0.7
95.04952	2.9
95.08596	15.2
96.73050	0.8
97.02873	2.0
97.06505	2.5
97.10150	5.3
99.04425	2.2
99.08094	1.0
103.05444	2.1
105.07014	5.5
105.20139	0.7
107.04942	1.5
107.08575	8.0
109.02866	5.6
109.06498	2.2
109.09597	0.6
109.10160	7.7
111.04430	0.7
111.08027	1.8
111.11693	1.4
112.33649	0.8
115.93314	0.7
117.03367	26.3
117.06963	0.8
118.03662	1.2
119.04903	0.8
119.08563	3.7
121.06503	1.7
121.10125	7.8
122.03632	0.7
123.04446	0.9
123.08015	0.9
123.11691	6.3
125.09605	1.7
127.03911	2.2
131.04880	1.9
131.08575	2.2
133.06494	0.7
133.10136	3.7
134.03586	2.3
135.04401	3.5
135.11667	4.8
137.05952	4.5
137.09584	1.8
137.13203	1.2
139.11128	2.3
143.10609	0.9
144.05656	0.9
145.02826	55.3
145.10123	1.7
146.03128	3.9
147.04370	1.0
147.11668	2.4
149.05963	12.1
149.13246	2.0
151.03871	1.8
151.07574	1.2
151.11127	1.8
153.12740	1.7
155.04820	0.7
157.10118	0.9
157.12289	1.2
159.07997	1.0
159.11667	1.9
161.06004	1.6
161.13234	1.3
163.03908	1.1
163.07510	1.9
163.14842	0.9
164.08334	2.9
165.08910	0.9
165.12744	1.0
173.13266	1.3
175.14740	1.0
177.05449	100.0
177.12630	0.9
178.05821	6.8
186.05489	1.3
187.07553	2.3
189.05351	0.7
189.06946	1.0
189.08850	1.0
195.06512	2.3
200.04692	1.5
201.16336	1.0
205.06508	0.7
207.13792	1.6
208.03180	0.7
208.08691	1.1
215.06996	7.1
218.07231	2.2
219.08107	3.7
220.08601	0.8
221.19016	0.9
233.06097	0.8
234.06786	1.1
235.07506	1.7
236.08269	1.0
246.06656	1.0
247.07455	3.4
248.08307	1.0
248.97694	0.7
249.09105	1.1
251.07077	1.2
251.10635	0.9
252.59000	0.7
253.08449	1.2
261.09097	1.2
263.06961	1.1
264.07751	2.5
265.08578	1.7
275.06766	1.0
275.23505	1.0
276.07553	0.7
277.08585	1.4
278.09186	0.8
279.09988	3.0
279.13312	0.8
280.10553	0.9
281.08121	1.2
285.22226	0.7
291.23148	1.1
293.24710	1.2
303.23111	4.3
307.09561	4.3
308.13733	1.3
309.10953	0.9
311.12646	2.8
312.13083	1.1
321.09595	11.7
321.24188	3.2
322.09872	1.6
324.09854	1.5
339.12070	11.1
339.16016	3.3
339.25369	1.6
340.12607	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	339.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	46.7
57.07063	41.0
67.05501	52.4
69.07056	100.0
70.24176	8.7
71.08617	34.1
71.52928	12.4
79.05466	35.8
81.07057	89.8
83.08598	58.5
86.35860	9.1
91.05481	32.0
93.07034	88.9
95.08598	98.1
97.06506	22.6
97.10156	43.8
97.40985	8.9
105.02174	9.7
107.08572	62.5
109.06534	12.0
109.10151	44.1
111.11691	14.4
121.06548	12.2
121.10137	51.9
123.11677	14.2
125.06007	12.3
135.11671	25.8
137.05899	10.8
137.13268	12.1
139.07547	62.6
140.18539	9.1
149.02347	10.0
149.06003	13.7
149.13243	14.8
151.07553	21.1
153.09093	19.7
159.11713	13.1
163.11243	15.1
163.14848	16.1
167.10533	15.7
177.05418	10.5
193.04941	13.4
201.09128	13.8
209.84042	11.6
242.20789	13.0
247.11395	10.3
249.09074	10.4
276.11246	11.9
279.13779	15.9
283.16788	9.4
293.11615	12.4
308.13922	15.1
339.15686	54.3
339.22797	15.8
339.28204	41.9
340.16174	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	339.289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.1
53.03938	2.4
55.01854	1.8
55.05506	15.7
56.96527	1.1
57.03434	1.1
57.07064	9.2
58.57270	1.1
65.03938	1.7
65.40961	1.0
67.05499	19.3
69.03425	7.1
69.07063	32.8
71.08617	3.4
71.53194	1.7
73.06569	1.2
74.53549	1.1
78.45080	1.2
79.05491	10.4
81.03414	11.0
81.07048	52.2
83.04988	2.3
83.08607	18.1
85.02890	4.1
85.06528	10.4
85.10162	1.5
89.03906	8.2
91.05465	7.6
93.07032	13.6
95.04945	2.7
95.08596	42.5
97.02891	1.5
97.06507	3.0
97.10156	11.4
99.04426	2.8
103.05468	3.3
105.07046	9.4
107.04942	2.3
107.08586	11.9
109.02865	4.8
109.06524	4.4
109.10146	26.2
111.08073	2.6
111.11716	7.6
115.05445	1.8
115.07582	1.2
117.03365	25.0
117.07018	1.6
119.04935	2.6
119.08566	4.4
121.06480	2.6
121.10123	11.2
123.08051	3.8
123.11692	16.4
125.09623	1.5
125.13282	3.2
127.03877	3.0
127.07526	1.5
128.06264	1.4
129.06992	3.0
131.04910	1.4
131.08574	2.5
133.10106	7.1
134.03717	1.5
135.04391	4.1
135.08078	2.2
135.11629	7.9
137.06009	8.0
137.09593	2.4
137.13240	6.7
141.09068	2.1
144.05701	1.5
145.02832	50.6
145.10141	3.5
146.03165	2.4
146.07301	2.1
147.04382	1.6
147.08060	1.2
147.11630	5.4
149.05968	15.0
149.13235	5.4
150.06390	1.1
151.03917	2.6
151.07520	5.4
151.11157	3.1
151.14813	2.6
153.09096	1.2
159.11681	3.8
161.06010	2.4
161.13252	4.7
162.06766	2.0
163.07520	2.3
163.11192	1.5
163.14767	2.8
164.08287	3.1
165.12758	3.8
172.05193	1.6
173.09663	1.5
173.13264	2.6
175.07480	1.9
175.14830	4.3
177.05453	100.0
177.12691	1.6
178.05853	5.9
178.07358	1.1
179.14313	2.5
181.12201	2.2
183.13844	1.6
186.05432	3.3
186.06808	3.5
187.07445	3.3
189.16333	1.8
191.08565	2.6
191.14296	1.5
193.15863	2.0
195.06476	2.9
195.13806	2.6
201.09082	4.9
202.07634	1.6
203.08504	1.5
203.17923	2.3
207.08083	1.6
207.17410	1.5
209.15263	1.6
215.06943	6.4
215.10587	1.8
218.07285	3.2
219.08034	7.0
221.06067	1.8
233.09697	1.6
234.06676	1.7
235.07552	3.5
236.07904	1.1
237.17920	1.2
247.07460	8.2
247.20732	1.2
248.08223	2.0
249.09244	1.5
250.09940	1.9
251.10884	1.4
253.08578	1.7
261.09061	2.9
261.25653	2.0
262.09897	2.7
263.07056	3.0
263.10550	1.2
264.07816	4.3
265.08542	1.9
265.21658	1.9
275.06924	1.8
277.08569	3.0
278.09348	4.2
279.10220	5.7
279.13028	1.2
281.07870	1.3
281.11810	1.2
285.25717	2.8
289.08575	3.0
293.08746	1.4
293.11578	7.1
303.26758	4.9
307.09662	9.3
307.12894	2.0
308.10245	2.0
308.13800	2.3
311.12833	4.4
321.09576	8.5
321.27817	12.2
324.13519	1.2
325.51297	1.2
339.12134	21.6
339.15970	8.4
339.28812	3.3
340.12598	4.6
340.16342	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
54.59555	1.3
55.05505	29.3
57.07070	13.3
67.05176	2.2
67.05499	30.7
69.03408	4.9
69.03802	1.3
69.07061	51.0
70.14991	4.8
71.08620	3.9
79.05489	16.7
81.03393	7.3
81.07047	100.0
83.04976	3.1
83.08613	31.2
85.02892	2.8
85.06530	20.1
89.03892	6.1
91.05459	7.5
93.07030	21.7
95.04943	3.3
95.08595	83.0
97.02876	1.6
97.06516	7.1
97.10161	21.4
98.20841	1.9
99.08078	2.2
101.05972	2.0
103.05470	1.6
105.07027	11.9
107.04938	1.5
107.08588	23.4
109.02831	3.3
109.06507	4.9
109.10146	47.3
111.08051	4.0
111.11711	17.8
115.07555	4.2
117.03374	14.5
117.06998	2.5
119.08562	9.6
121.06515	2.5
121.10130	17.5
123.08042	4.2
123.11695	28.5
125.09618	4.6
125.13246	4.8
127.03893	1.6
127.07524	6.6
127.11153	1.7
129.06960	2.5
131.08548	2.7
133.02812	1.7
133.10100	8.1
135.04384	8.2
135.11670	16.6
137.05968	10.5
137.09593	4.6
137.13240	16.7
139.11139	2.0
141.09070	3.1
143.08517	1.7
144.05725	1.9
145.02835	33.5
145.10104	4.6
147.11668	9.1
149.05974	8.3
149.09622	1.7
149.13225	10.9
151.03925	2.1
151.07500	4.8
151.11154	6.0
151.14798	5.9
153.12720	2.1
155.10706	2.7
159.07927	1.5
159.11642	3.0
161.13258	8.6
163.14815	4.5
165.09114	1.9
165.12767	4.9
165.16344	2.4
167.10583	2.4
169.12206	1.8
171.11699	1.7
173.06038	1.5
173.13200	2.7
175.14822	5.9
177.05455	65.7
177.12746	3.8
177.16333	2.6
178.05817	4.7
179.14308	4.5
179.17799	2.5
181.12268	3.4
183.13820	2.1
187.07513	5.1
189.16365	3.0
191.17911	2.3
193.15842	4.1
195.06404	1.8
195.13731	3.5
201.09038	2.0
201.16486	1.8
203.08507	1.7
207.08191	1.4
207.17374	3.4
209.05901	1.7
215.06935	3.4
218.07286	1.6
219.08011	3.2
221.19043	2.1
225.09302	1.5
231.08014	2.5
235.07573	2.9
236.08145	1.4
237.05452	1.5
237.18491	2.6
247.07501	3.9
249.09010	1.9
251.10547	1.5
251.20085	2.5
261.08893	2.3
261.25696	1.5
263.06998	1.7
263.10440	1.3
264.07715	2.3
265.08362	1.7
265.21570	3.2
269.08047	3.1
276.11343	1.4
277.08545	2.3
278.09201	2.5
279.10098	5.2
281.08014	1.5
285.25757	5.0
289.08820	3.2
291.10275	2.2
293.11508	1.9
294.09033	1.7
295.09256	1.7
297.11011	2.3
303.26761	10.7
307.09592	5.5
307.13007	2.8
308.13794	3.2
309.11078	3.0
311.12811	2.4
321.10104	3.3
321.27823	21.3
324.13644	1.7
339.12085	12.4
339.15860	7.2
339.29218	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	341.0864
Annotation	AESCULIN
Peak:m/z	Relative Intensity
57.03410	0.3
61.02902	0.6
65.84991	0.3
69.03407	0.9
69.24390	0.6
69.24792	2.2
73.02898	0.5
79.05467	0.3
81.03419	0.7
85.02890	1.9
89.03921	0.3
91.05769	0.8
95.04948	0.5
97.02878	0.9
105.03398	0.4
107.04954	0.3
109.02879	0.7
117.03407	0.3
123.04409	10.3
131.04900	0.6
133.02840	8.1
135.04405	2.1
137.05936	1.9
147.04382	0.4
149.04062	0.3
151.03896	4.0
163.07565	0.5
169.74785	0.2
175.07529	0.4
179.03371	100.0
180.03725	1.8
187.07452	0.5
189.16522	0.3
189.37175	0.3
217.08528	0.3
248.08189	0.3
271.09686	0.5
291.10126	0.4
323.12234	0.5
341.08453	0.6
341.12512	0.9
359.02841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01855	3.1
57.03425	3.8
59.05000	2.0
59.68544	0.8
61.02924	1.7
67.05475	1.0
69.03423	13.6
69.72490	6.1
71.04982	6.0
73.02911	1.4
73.04749	1.8
76.06722	0.9
79.05492	2.1
81.03414	16.6
81.07023	1.2
85.02896	2.7
87.04443	1.8
91.05852	7.0
93.07032	1.3
95.04936	2.0
97.02884	5.0
99.04447	5.5
103.05466	1.0
103.93041	0.8
105.05476	0.9
106.06539	4.5
107.04955	1.8
116.98639	1.0
119.04973	1.2
123.04432	5.3
127.03903	0.8
133.02861	1.8
133.06644	1.4
133.07607	7.0
133.10075	1.1
135.09131	1.6
136.01199	1.0
137.05949	4.9
145.07599	2.2
146.08350	2.5
147.04410	2.2
147.09151	3.0
151.03949	1.3
151.07590	1.1
156.55638	0.9
158.14420	1.1
161.07089	45.7
163.03918	1.9
163.08644	3.6
165.77142	0.9
167.07068	1.2
173.07115	8.1
175.08751	2.1
176.05916	0.9
179.03371	26.0
180.03699	1.4
180.06554	1.4
183.06487	3.5
185.10699	1.4
187.08856	1.4
189.06583	19.2
191.06673	1.7
191.08179	20.6
201.10176	1.2
202.11407	0.9
203.08223	2.2
207.07635	42.7
221.04579	0.9
241.09831	1.5
247.07158	1.1
249.08853	1.3
259.10730	1.2
269.09286	1.0
277.11896	4.3
280.13000	1.1
287.10278	2.7
287.97232	0.9
291.10123	1.4
295.12952	8.4
305.11218	10.8
323.12338	100.0
324.12589	3.4
341.13135	3.4
342.99802	1.2
359.02689	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	341.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01841	1.7
57.03437	1.9
57.76088	0.3
59.05004	0.5
61.02909	0.8
69.03423	13.4
70.81004	0.4
70.81325	0.7
71.01322	0.8
71.04995	3.5
73.02891	1.0
78.69530	0.3
81.03410	16.4
86.87626	0.4
96.13289	0.4
99.04455	5.5
106.06538	0.8
117.05470	1.3
118.05225	0.5
123.04382	0.6
132.08170	0.4
133.07590	5.4
134.05978	1.5
135.09143	0.5
137.05949	1.5
147.04353	0.4
152.07126	0.4
160.07487	0.5
161.05785	0.7
161.07086	11.1
163.07335	0.5
163.08659	6.5
178.07408	1.4
179.03377	3.1
179.08194	1.1
187.07574	0.5
189.06569	7.1
191.08142	6.6
205.09782	0.5
207.07629	100.0
208.08025	2.0
219.07690	0.6
221.09265	0.5
231.07855	0.5
231.11269	0.5
249.08748	1.1
251.66476	0.5
259.10834	0.4
287.10464	0.4
291.10117	0.6
305.11182	2.0
323.12338	34.6
324.12579	1.3
341.13412	27.4
342.13736	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	341.1377
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01857	1.1
57.03426	1.1
58.06590	3.1
63.18255	1.2
65.03936	1.7
69.03439	1.2
69.79562	6.8
71.05012	5.7
74.56503	1.4
77.03954	1.3
79.05505	2.2
81.07061	2.0
85.02885	1.9
91.05468	5.0
94.04179	2.3
95.04942	1.1
95.85382	1.2
103.05478	6.4
105.78652	1.2
107.04930	2.8
109.06499	4.4
111.04420	1.8
115.05399	1.8
117.06980	2.0
119.04904	3.2
121.59497	1.1
122.03628	7.6
128.06172	2.6
129.06981	7.0
131.04921	10.3
133.02876	5.9
137.05963	100.0
143.04935	1.7
144.05695	3.1
145.06435	3.9
147.04393	1.7
149.05930	4.6
151.03873	3.3
151.07556	8.1
153.05432	1.7
157.06482	5.4
158.07294	1.9
160.05194	4.4
161.05978	3.0
163.06300	2.5
163.07533	9.5
165.05486	5.7
165.06877	1.2
168.05695	2.3
172.05167	4.5
174.06693	8.3
175.07542	17.3
176.08286	1.4
177.04124	1.5
177.05412	7.5
177.09064	2.5
178.06178	1.5
178.08638	22.9
179.07050	5.3
179.10568	2.1
187.07515	35.6
189.09081	12.8
191.06953	2.4
191.08533	3.6
193.53923	1.4
196.05251	5.3
197.05997	3.3
199.07516	3.3
202.07860	3.0
203.08553	15.1
205.06453	2.0
205.08473	1.3
207.08049	1.7
208.08708	1.3
211.07532	21.8
212.04677	1.8
213.05420	4.4
217.08598	16.6
218.07143	2.0
219.08037	8.3
220.08774	8.4
221.05975	1.7
221.09488	2.2
224.98520	1.3
225.05545	2.4
227.07011	17.7
228.07872	3.2
231.07985	15.6
232.08771	2.7
233.05971	2.8
233.09547	1.6
234.06807	2.2
235.07565	2.5
236.08353	2.5
237.09120	1.9
239.06975	15.5
240.07724	14.0
241.04964	2.4
241.08511	1.7
247.07539	7.4
248.08313	24.6
249.09030	2.8
250.06316	2.2
251.07272	1.5
251.10625	2.6
253.08670	2.6
254.09309	1.5
255.06508	13.3
256.07162	7.4
259.07584	7.1
260.08206	1.8
261.09039	2.1
263.06802	1.9
263.10626	19.7
264.07895	2.9
265.08554	8.2
268.07263	4.2
269.08084	2.1
270.08862	29.6
271.09598	42.2
272.10129	1.7
276.07819	11.7
277.08551	5.6
279.10202	10.1
280.10812	1.5
281.08160	2.4
281.11572	1.8
283.09637	13.4
290.09180	1.6
291.10126	56.8
292.10822	4.9
293.07990	7.6
293.10995	1.2
294.08563	1.9
295.09799	1.4
295.13297	1.7
296.10440	6.9
297.11157	6.7
305.11743	1.6
307.09583	1.4
308.10397	7.8
309.07681	1.2
309.11121	2.3
311.12714	9.1
313.14304	3.1
323.12766	36.3
341.13666	19.8
342.16931	4.0
352.00381	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1379
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
52.12375	1.1
55.01849	1.5
58.06579	3.4
67.05484	2.0
70.09185	2.8
70.09586	2.4
71.04977	7.6
79.05479	1.9
80.81757	1.3
81.07051	1.8
83.78040	1.3
91.05463	5.4
94.04188	2.5
95.04927	1.9
98.20868	1.2
103.05451	2.0
105.06970	2.0
107.04917	3.5
109.06497	3.1
111.04372	1.2
115.05398	1.9
119.04923	2.7
119.08554	1.8
122.03578	7.8
128.06186	2.2
129.07010	6.7
131.04849	3.7
131.08536	1.5
133.02838	7.7
137.05957	100.0
138.06239	1.7
143.04878	1.6
144.05635	3.5
145.06445	2.0
146.07172	1.7
147.04370	2.9
149.05943	3.1
151.03879	3.8
151.07513	6.7
157.06435	3.8
160.05168	5.2
161.05934	4.3
163.07512	2.8
165.05455	3.6
165.06917	1.7
167.07036	1.2
168.05646	2.0
172.05141	4.3
173.05879	1.3
174.06731	7.5
175.07527	18.4
177.05457	7.3
177.09097	4.3
179.07082	6.5
187.07520	33.8
189.09123	11.1
191.06995	2.2
191.08545	4.3
196.05173	6.4
197.05983	2.7
199.07491	4.9
202.07697	3.3
203.08530	12.9
205.06456	3.6
205.08533	3.3
206.07314	2.2
208.08871	2.5
211.07535	21.8
212.04724	2.1
213.05508	2.7
217.08594	13.8
219.08023	11.1
220.08871	5.8
221.09575	2.4
222.06721	2.3
223.07373	1.4
227.06967	15.7
228.07716	2.8
231.08035	16.8
232.08745	4.8
233.05904	2.9
233.09586	2.3
234.06729	2.1
235.07442	3.8
236.08290	4.7
237.09085	3.0
239.06989	12.8
240.07719	13.9
241.05029	1.5
247.07491	8.2
248.08299	23.3
249.09042	4.5
250.06226	2.7
251.10712	5.9
253.08527	3.5
255.06522	14.0
256.07205	8.6
259.07465	5.9
260.08118	2.1
261.08957	2.6
263.10657	20.3
264.07739	4.5
265.08521	9.6
268.07327	4.8
270.08810	26.0
271.09610	43.1
272.09900	2.8
276.07678	11.2
277.08484	6.0
279.10104	16.0
280.07553	1.2
280.10898	4.8
281.08163	3.2
281.11719	3.5
282.08707	1.3
283.09613	12.4
291.10117	54.6
292.10651	7.3
293.07993	7.9
295.09592	3.0
296.10437	6.0
297.11078	6.0
305.11667	2.1
307.09689	1.9
308.10318	6.8
309.11099	4.4
311.12726	16.3
313.14301	4.0
323.12750	37.1
324.13000	1.7
341.10022	2.5
341.13748	26.4
342.17096	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	341.1381
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
54.48445	0.7
65.58212	0.7
71.06965	1.6
79.05480	2.0
79.56502	0.8
81.07026	1.7
91.05467	4.8
94.04195	4.0
95.04973	0.7
95.13586	0.6
103.05452	2.4
105.07021	5.0
107.04922	1.1
109.06516	1.9
115.05453	5.1
117.06998	2.9
119.04949	1.9
119.08557	3.7
121.06481	1.2
122.03646	8.0
128.06192	2.3
129.06976	2.4
131.04926	3.3
132.05704	3.8
133.06500	4.4
134.11444	0.7
135.04434	0.8
137.05968	100.0
138.06339	1.8
144.05710	0.8
145.06461	2.1
146.03624	0.7
147.04390	3.8
147.08023	5.0
149.05972	1.6
151.07533	1.3
155.04869	0.9
156.05733	1.2
157.06416	1.3
159.08060	2.6
160.05159	2.4
161.05962	9.8
163.07567	1.4
165.06906	0.8
167.07036	0.9
171.08066	1.4
172.05231	1.2
172.89728	0.7
175.07539	42.1
177.05472	2.4
177.09166	1.7
178.07730	0.7
185.05911	1.3
187.07510	8.3
189.05336	0.8
189.06966	1.3
189.09010	1.2
190.07846	3.5
191.08524	8.1
192.09213	0.8
199.07530	8.4
202.07784	4.8
203.08597	6.2
217.08568	1.7
218.07256	2.7
219.08060	10.9
220.08778	3.0
221.09630	0.9
231.08063	6.9
232.08638	1.9
235.07518	0.9
236.08258	3.3
237.09125	1.5
247.07495	3.8
248.08380	3.2
249.09050	1.3
251.10661	12.6
259.07571	3.0
260.08298	1.0
261.09067	1.4
263.10657	3.7
264.07843	1.6
264.11530	0.8
265.08600	1.4
276.07819	1.3
277.08554	3.3
279.10138	10.4
280.10803	1.7
281.08258	1.3
281.11691	1.2
291.10117	8.4
292.10971	3.1
295.09915	0.9
295.13245	1.4
296.10464	0.9
297.11133	1.0
308.10608	0.9
309.11157	2.5
311.12802	8.3
313.14294	1.0
323.12827	3.2
326.11044	1.3
341.10162	1.5
341.13788	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	341.138
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03937	2.2
55.05505	3.2
55.14090	1.6
57.03428	1.8
65.03931	2.0
67.05490	4.9
69.03411	3.0
69.07047	5.4
70.32261	2.6
70.32663	3.9
71.04989	4.7
76.18121	1.5
79.05486	6.2
81.03403	3.6
81.07049	10.1
82.58025	1.6
85.06529	2.6
91.05450	11.2
93.07063	5.5
94.04172	4.4
95.04968	4.0
95.08598	7.1
100.11244	4.4
103.05465	3.4
105.07011	6.1
107.04955	4.1
107.08582	4.7
109.02868	4.8
109.06519	4.8
109.10172	5.3
111.04423	2.4
115.05454	2.5
117.06992	4.4
119.04955	3.5
119.08531	2.4
121.02887	2.2
121.06526	2.1
121.10161	3.1
122.03610	11.0
123.04445	3.0
123.11698	3.7
125.06023	2.3
128.06215	5.0
129.06976	10.3
131.04930	4.5
131.08545	2.5
133.02849	7.9
133.06487	3.0
133.10123	3.0
135.04385	3.2
135.11658	2.0
137.05965	100.0
141.07028	1.8
143.04921	2.0
143.08554	2.3
144.05698	3.3
145.06499	3.3
145.10048	1.9
147.04387	2.9
147.08011	2.2
149.05991	5.6
151.03889	4.6
151.07472	9.5
153.05421	2.5
157.06493	6.0
158.28566	1.6
160.05215	5.1
161.05972	6.4
163.03935	1.9
163.07582	4.7
165.05461	5.5
165.06831	2.6
167.07014	5.3
172.05193	4.2
174.06763	7.8
175.07556	19.9
177.05484	9.9
177.09142	3.1
177.12918	2.0
179.07082	4.2
179.08484	2.2
181.06508	2.0
182.15488	1.9
186.81541	1.6
187.07520	33.1
189.05476	4.1
189.07414	2.0
189.09071	12.9
190.07767	2.0
191.07042	2.0
191.08583	4.6
192.09169	1.8
194.07251	2.3
195.08051	2.4
196.05226	5.7
197.05927	1.8
199.07509	4.6
202.07809	5.2
203.08551	13.9
203.10309	2.4
205.06516	3.3
205.08510	2.6
206.07272	2.0
207.07967	2.4
210.14925	2.3
211.07524	22.3
212.04781	2.5
212.08153	1.7
213.05344	1.9
213.09128	3.1
217.08540	15.5
218.07280	2.8
219.08058	12.1
220.08832	7.3
221.06064	1.8
221.09573	3.0
225.05463	2.7
225.08972	1.9
227.07002	16.9
228.07858	2.5
231.08015	15.7
233.05917	3.2
234.06650	3.9
235.07587	5.1
236.08281	2.8
237.09117	4.4
238.09816	2.2
239.07069	13.2
240.07869	12.6
247.07515	7.4
248.08308	27.1
249.09149	8.0
250.06358	2.1
251.07083	4.2
251.10619	6.3
253.08507	2.9
253.12166	2.6
254.09450	2.9
255.06477	10.8
256.07297	8.0
259.07587	6.2
260.08252	2.5
261.08948	4.0
262.06219	3.4
263.07166	1.4
263.07919	1.7
263.10687	15.4
264.07843	4.1
265.08569	7.4
266.09488	3.5
267.06577	1.9
267.10156	2.1
268.07230	3.8
269.08112	2.1
270.08844	24.8
271.09616	40.7
272.10092	2.1
276.07828	11.3
277.08554	7.6
279.06808	3.1
279.10156	14.9
280.10941	2.0
281.08206	3.3
281.11804	6.3
283.09625	13.8
291.10120	58.6
292.10852	6.6
293.08054	7.3
295.09750	3.0
295.13278	2.5
296.10471	7.1
297.11194	7.2
305.12015	2.6
308.10370	6.0
309.11179	15.1
311.12656	14.6
313.10840	2.8
313.14359	8.0
323.09317	3.2
323.12787	36.6
341.10126	5.9
341.13794	43.5
341.20959	2.7
342.14453	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1744
Annotation	Acuminatin
Peak:m/z	Relative Intensity
53.53605	1.1
58.70185	1.3
65.03912	1.5
67.05469	1.3
70.03739	6.3
79.05476	3.9
81.07027	1.6
91.05464	16.6
95.04952	2.1
98.20771	1.5
103.05449	5.4
105.07018	8.1
107.04945	17.3
107.08618	1.3
108.05750	2.7
115.05449	6.1
117.06998	4.5
118.04173	2.3
119.04929	8.6
119.08559	2.3
121.06513	6.1
122.03623	2.6
128.06203	14.1
128.29305	1.1
129.07022	2.1
131.04890	5.2
133.06453	5.4
134.07225	3.2
135.04401	4.3
135.08058	5.9
136.05212	8.5
137.05968	29.5
142.30385	1.1
143.04881	1.2
143.08534	26.8
145.06465	12.1
146.07249	7.0
146.42413	1.7
147.08017	2.5
148.20959	1.5
149.06017	1.7
149.09612	1.3
149.61136	1.2
150.06758	12.0
151.07529	100.0
152.07884	3.5
155.06036	1.9
157.10118	1.4
159.08008	3.6
160.08771	3.0
161.05948	2.3
161.09610	3.9
162.06740	4.7
163.07539	16.9
165.05489	1.9
165.09102	68.5
166.09335	2.3
171.06519	1.7
171.08009	33.5
172.08714	4.2
173.05972	4.6
174.06738	2.3
175.07571	6.6
175.11165	1.7
177.09087	14.7
178.09901	6.6
179.08571	1.2
179.10623	6.5
181.06407	1.3
186.10388	2.7
187.07515	4.9
188.08304	35.4
189.08965	3.0
191.10614	1.3
194.21083	1.4
202.09818	9.1
203.10646	86.9
203.59953	1.2
204.11137	4.0
207.07643	1.2
209.09526	1.5
217.08701	1.2
217.12251	15.7
223.11186	1.2
224.08357	1.3
236.08458	1.5
239.10725	1.1
249.09042	2.4
250.09984	2.1
250.13307	1.3
255.10136	1.4
263.10645	1.8
266.09299	2.2
267.10080	3.2
268.11053	2.0
269.11224	2.5
269.17426	1.3
281.11807	3.5
281.15164	1.8
283.09912	1.9
284.10367	1.8
295.13034	1.7
297.11182	12.0
299.12585	2.0
309.14706	3.8
310.15472	2.4
311.12897	2.1
312.13464	7.4
313.14194	4.1
326.15002	2.5
341.13913	5.7
341.17426	72.5
342.17822	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1743
Annotation	Acuminatin
Peak:m/z	Relative Intensity
67.05489	1.4
68.63321	0.7
70.84393	1.9
75.31594	0.8
79.05472	3.9
83.05843	0.7
91.05463	12.7
93.07040	1.6
94.04180	0.9
94.81117	1.0
95.04948	2.2
103.05448	3.6
105.07022	7.9
107.04945	14.2
107.08542	1.2
108.05726	3.2
109.06462	2.3
115.05408	5.0
116.06174	1.3
117.07020	4.0
118.04168	1.2
119.04921	5.3
119.08502	0.9
120.05668	1.3
121.06494	5.6
122.03641	1.8
122.07188	0.9
128.06221	19.5
129.07019	1.4
129.52681	0.8
131.04898	5.1
133.06450	5.9
134.07224	2.9
135.04393	5.4
135.08025	3.1
136.05179	6.8
137.05968	24.1
138.06557	0.8
141.06976	1.8
142.07771	1.1
143.08546	37.8
144.05684	0.9
144.08917	1.0
145.06461	8.6
145.10136	1.7
146.07256	6.6
147.08043	2.7
149.02364	0.7
149.06058	0.9
149.09564	1.0
150.06740	16.0
151.07526	92.8
152.07878	2.3
155.06013	1.2
157.06500	1.3
159.04422	1.6
159.08005	1.9
160.05205	1.3
160.08833	2.5
161.06012	1.8
161.09601	2.6
162.06752	2.4
163.07532	7.6
165.05490	1.7
165.09096	71.9
166.09445	2.1
171.08035	42.7
172.08762	5.0
173.05952	4.2
174.06749	2.2
175.07523	7.6
175.11194	1.3
177.09077	8.8
178.09857	3.7
179.10629	4.7
186.10347	1.6
187.07509	3.3
188.08299	36.5
189.08899	2.6
195.07910	1.2
199.64806	0.9
202.09927	5.6
203.10648	100.0
204.11086	4.1
209.09526	1.6
217.12199	12.3
219.08105	1.2
221.09627	1.3
225.09081	1.0
235.11221	1.3
237.09076	2.6
238.09726	1.6
239.10646	1.3
240.47026	0.8
249.09238	1.0
250.09538	1.0
251.10739	1.8
252.11401	1.5
253.08449	1.7
254.09302	1.4
255.10028	1.4
263.10651	2.5
265.08496	1.7
266.09363	1.6
267.10095	2.4
269.11765	1.6
278.13062	1.3
279.09955	1.5
280.10751	1.9
281.08817	1.0
281.11761	3.1
281.15189	1.0
283.09656	1.8
287.11661	1.0
294.12405	1.4
297.11258	12.1
298.12015	2.2
309.11371	1.5
309.14856	3.8
310.11957	0.9
310.15540	1.4
311.12601	2.0
312.13544	10.6
313.14075	1.2
326.14825	1.2
341.13815	8.5
341.17426	87.1
342.14142	1.3
342.17749	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1742
Annotation	Acuminatin
Peak:m/z	Relative Intensity
52.11915	1.7
55.15880	1.9
55.90963	1.7
62.20261	1.6
67.05466	3.3
70.60767	6.1
70.61143	3.6
79.05465	6.1
84.15147	1.8
91.05464	15.7
95.04945	4.1
103.05449	3.3
105.07019	6.4
107.04938	23.6
109.06483	2.4
115.05447	10.8
117.07008	16.2
118.39431	1.9
119.04913	5.1
121.06496	23.8
128.06204	33.3
129.06927	2.0
131.04900	9.1
133.06441	4.3
134.07306	3.2
135.04370	7.3
135.08035	6.9
136.05161	18.8
137.05969	18.1
141.06941	2.4
143.08540	47.6
144.05684	1.9
145.06465	25.1
146.07246	29.7
147.08008	3.8
149.05904	2.1
149.09613	5.0
150.06712	17.3
151.07530	77.2
152.07898	3.0
160.05141	2.3
161.05962	4.7
161.09608	8.1
162.06789	11.2
163.07523	13.3
165.09090	52.5
171.08029	55.6
172.08714	3.4
173.05933	11.7
174.06700	2.1
175.07549	12.0
175.11253	2.2
177.07631	4.1
177.09090	59.6
178.09752	2.6
179.10641	7.1
186.10434	2.1
187.07503	15.3
188.08299	75.9
189.08736	4.9
202.09883	3.6
203.10640	100.0
204.10832	4.1
217.12190	15.9
237.09007	3.3
249.08879	2.6
251.10330	2.5
263.14627	2.2
278.12775	2.8
281.11655	3.4
281.15201	4.8
297.11172	8.1
309.14896	5.5
310.15616	2.3
311.12561	2.3
312.13474	8.9
326.15155	3.1
341.17416	62.0
342.17688	5.2
342.37357	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	341.1743
Annotation	Acuminatin
Peak:m/z	Relative Intensity
51.42122	1.0
53.03941	2.0
55.01858	3.0
55.05500	3.8
57.03421	1.8
59.05006	1.8
65.03931	2.9
67.05489	4.4
69.03405	3.2
69.07047	4.0
71.26091	1.6
71.26457	1.4
79.05488	14.2
81.03382	3.1
81.07048	7.1
83.08609	1.3
85.06542	6.9
91.05461	24.7
92.06238	2.2
93.07034	5.6
94.04205	1.2
95.04947	5.0
95.08595	7.0
103.05457	19.9
105.03393	1.6
105.07012	18.3
107.04971	6.7
107.08563	5.4
109.06496	5.2
109.10149	2.9
115.05421	7.0
117.07004	7.6
119.04940	2.9
119.08583	5.9
120.05717	5.6
121.06507	8.2
121.10117	3.8
122.03650	1.4
123.04405	2.0
123.08060	2.2
123.11733	1.4
128.06221	12.9
129.07005	6.3
131.04901	7.7
131.08528	3.1
133.06476	4.2
133.10106	2.9
134.07304	1.3
135.04378	3.8
135.08043	30.7
136.05185	2.3
137.05963	19.0
141.06990	2.0
143.08546	20.9
145.02797	1.7
145.06474	6.3
145.10126	1.8
146.07269	15.3
147.04370	2.2
147.08011	3.3
147.11711	1.7
148.05191	2.2
149.05969	3.2
149.09615	4.6
149.13158	1.9
150.06743	2.7
151.07527	38.9
151.11032	1.4
152.07843	1.4
157.10107	2.1
158.07162	1.8
159.08009	4.4
159.11714	1.4
160.05150	1.5
160.08817	4.1
161.05965	4.8
161.09521	2.4
162.06740	4.4
163.07526	100.0
164.07971	2.1
165.05498	5.3
165.06879	1.9
165.09077	9.9
167.07115	2.6
167.08560	1.3
169.10088	1.6
171.08028	7.4
172.08656	2.2
173.05991	2.6
173.09587	1.1
174.06718	3.8
175.07578	7.1
175.11172	2.6
177.05495	2.5
177.09085	13.3
178.07652	1.5
179.08611	3.2
181.08521	4.4
181.09935	2.8
187.07500	6.9
188.08313	7.3
189.05428	2.5
189.09094	10.0
190.07730	1.7
191.08585	4.7
191.10701	2.6
193.10051	1.6
194.07271	1.8
195.08026	5.2
202.07877	1.6
203.08586	3.5
203.10609	20.0
205.08568	10.7
205.10216	1.8
205.12027	1.1
206.08957	1.5
206.10753	1.6
207.07918	2.8
208.08832	3.7
209.09576	5.9
210.10350	1.8
211.07544	2.1
213.09018	1.5
215.10689	1.4
215.92636	1.1
218.07233	1.1
219.08078	5.4
219.11707	2.0
220.08734	4.3
221.09552	3.1
222.10316	1.6
223.07617	1.9
223.11148	3.8
224.08275	2.1
225.09117	2.1
226.10057	1.5
231.08038	2.0
231.10152	3.2
233.09564	2.7
234.06673	1.4
234.10387	2.7
235.11159	12.7
236.08324	2.8
236.11847	1.4
237.09026	4.9
237.12633	1.8
238.09822	3.5
239.10631	5.8
240.11432	1.4
241.08252	1.4
241.12157	3.2
247.07462	2.0
248.08366	3.2
249.09065	3.8
249.12737	4.0
250.13478	8.2
251.06859	2.5
251.10684	9.9
252.11385	9.1
253.08519	2.0
253.12201	6.8
255.10046	2.2
263.10599	6.1
265.08612	3.7
265.12231	4.8
266.09201	1.2
266.12988	7.5
267.09937	1.6
267.13632	3.2
268.11096	2.3
269.11746	1.8
277.08444	2.1
277.12100	3.2
278.12857	6.6
279.10178	5.9
280.10959	1.8
281.08603	2.0
281.11743	8.1
281.15326	22.5
283.09641	1.4
283.13300	2.4
285.78140	1.5
291.10052	3.9
292.14355	1.6
293.11676	4.2
294.12238	6.1
295.13086	1.5
297.11185	3.6
299.12704	2.2
309.11130	5.2
309.14752	46.7
310.15222	2.8
311.12726	1.5
312.13516	1.9
313.14465	1.7
313.18011	4.3
323.12808	2.8
323.16251	2.8
323.19821	2.7
326.14816	1.9
341.10220	4.0
341.13760	10.5
341.17438	51.2
341.21185	9.1
342.17740	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	341.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27435	0.8
60.90543	0.7
65.35950	0.8
67.74235	0.8
69.03407	2.4
70.97114	1.6
79.05476	1.5
91.05471	18.9
94.04161	1.6
95.04956	2.4
105.03407	0.8
105.07017	2.2
107.04927	2.2
108.05687	1.1
109.06515	1.6
109.79476	0.8
117.07030	0.8
119.04924	15.0
122.03610	5.3
128.06229	1.2
133.06467	1.9
135.08011	1.0
136.05182	3.8
137.05962	55.9
138.06346	2.1
143.08527	3.2
145.06377	0.9
150.06706	4.0
151.07523	100.0
152.07886	1.8
159.08066	2.0
160.08757	0.9
165.09091	29.1
166.09428	1.3
171.08051	3.6
175.07504	0.9
179.10690	2.3
186.10439	4.2
187.07547	2.9
188.08266	4.8
202.09869	12.2
203.10631	10.8
204.11403	1.3
211.39749	0.8
217.12209	28.9
218.12601	1.7
248.87791	0.8
281.12259	1.0
281.15323	1.8
283.09500	0.9
297.11142	1.6
341.17444	27.7
342.17676	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1743
Annotation	Acuminatin
Peak:m/z	Relative Intensity
53.31267	1.5
55.01846	1.6
55.37781	1.3
55.76429	1.8
59.32757	1.5
59.53054	1.5
60.39969	1.4
63.59509	1.4
65.03930	1.8
69.70494	11.1
73.83160	1.6
79.05473	9.7
90.70849	1.5
91.05460	19.6
92.84970	1.4
93.02138	1.5
95.04939	5.0
98.20846	3.4
103.05458	9.7
105.07050	8.3
107.04943	96.8
109.06463	2.1
112.13215	1.4
115.05424	16.6
117.06989	15.4
119.04941	3.9
119.08572	2.2
121.06493	18.7
128.06203	22.7
129.06992	2.0
131.04930	9.2
133.06450	7.3
134.07253	3.3
135.04358	5.6
135.08054	12.5
136.05194	10.5
136.97002	1.9
137.05969	13.9
141.06955	3.1
143.08545	34.9
145.06497	19.1
145.07594	2.3
146.07259	25.4
147.04442	3.1
147.07976	6.8
149.09586	4.0
150.06708	11.1
151.03879	2.7
151.07527	57.9
155.06021	2.5
157.06548	2.4
159.07925	2.1
161.05948	4.5
161.09604	10.4
162.06770	11.5
163.07524	84.5
163.52631	1.7
164.08116	2.6
165.05486	3.7
165.09097	36.0
171.08035	40.0
172.08630	1.9
173.05940	7.1
175.07520	13.5
175.11147	2.7
175.71300	1.9
177.09097	35.9
178.09869	38.5
179.10579	6.5
186.10345	2.2
187.07521	8.0
188.08295	49.7
203.10648	100.0
204.11067	4.0
217.12257	7.0
237.09119	2.0
239.10631	2.0
240.39413	2.2
247.83887	1.8
249.09125	1.8
249.12726	2.2
281.12036	2.1
281.15250	2.8
285.11258	2.3
294.12308	1.8
297.11285	5.3
300.13602	2.0
309.14844	6.5
312.13568	4.9
324.26666	2.0
341.17456	61.7
342.17834	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	341.1743
Annotation	Acuminatin
Peak:m/z	Relative Intensity
53.03943	3.7
55.01859	4.4
55.05495	5.7
55.27824	1.4
57.03414	2.9
57.07052	2.2
58.21342	1.6
58.30339	1.6
59.04979	2.0
65.03906	3.6
67.05491	7.2
69.03411	5.4
69.07078	10.5
71.04985	2.1
71.52413	1.2
71.52822	2.0
79.05475	18.9
81.03419	4.1
81.07037	16.6
83.04966	2.0
83.08602	2.8
85.02901	2.1
85.06535	6.3
91.05458	35.6
92.06251	3.1
93.07027	9.5
94.04181	1.7
95.04964	7.9
95.08597	14.4
97.06518	3.6
97.10155	3.3
99.08087	2.3
100.54977	1.5
103.05457	27.4
105.04433	1.7
105.07022	24.9
107.04945	9.8
107.08567	8.7
108.05733	2.6
109.06492	8.5
109.10139	6.9
111.08042	2.5
111.11693	1.6
115.05446	6.0
117.07007	7.0
119.04945	14.2
119.08572	8.6
120.05700	5.8
121.06485	10.2
121.10132	8.5
122.03634	5.0
123.04427	3.5
123.08048	3.7
123.11693	6.8
125.05942	2.8
125.09624	1.8
125.66138	1.7
128.06221	18.1
129.07010	8.7
131.04918	12.5
131.08540	2.8
132.05702	3.5
133.02831	1.8
133.06508	8.8
133.10127	4.7
134.07277	2.0
135.04425	5.4
135.08037	52.9
135.11700	3.1
136.05173	6.1
137.05969	68.2
137.09496	1.6
139.11189	3.4
141.07007	2.5
143.08554	24.1
144.05725	2.7
145.02859	3.1
145.06465	9.5
145.10114	3.5
146.03590	1.5
146.07237	15.4
147.04401	4.6
147.07941	4.0
147.11717	2.5
148.05173	2.2
149.05901	9.4
149.09628	5.5
149.13260	4.7
151.03899	6.6
151.07527	84.6
151.11142	2.2
152.07832	2.1
153.06932	1.9
155.08627	2.0
157.10185	2.1
159.04523	1.5
159.08015	5.5
160.08815	5.8
160.11020	1.6
161.06004	8.9
161.09615	7.2
161.13194	2.1
162.06729	5.0
163.03862	3.6
163.07526	100.0
164.08096	5.8
165.05490	6.2
165.06940	3.6
165.09102	19.7
167.07013	7.0
167.08379	2.2
171.07986	7.7
171.11659	2.1
173.05980	5.0
174.06728	4.7
175.07512	11.7
175.11047	3.9
177.05452	6.2
177.09065	17.6
179.07156	3.2
179.08560	3.7
179.10484	2.3
181.06425	1.9
181.08569	4.6
181.10020	2.5
185.06021	2.6
185.09578	2.0
187.07494	12.3
188.08266	8.2
189.05421	5.0
189.07112	2.8
189.09039	11.6
190.07759	2.7
191.06995	2.9
191.08562	4.1
191.10637	3.3
193.06331	1.9
193.10019	2.3
194.07234	4.3
195.08029	6.3
196.08763	1.8
197.09557	2.3
199.07552	4.7
201.09189	3.1
202.07881	3.1
202.09865	6.9
203.08611	5.1
203.10669	23.8
204.11266	1.8
205.06697	3.3
205.08578	14.9
205.10164	2.3
206.07196	2.4
207.08080	3.6
207.11749	3.1
208.08832	3.7
209.09596	7.2
211.07576	2.7
213.09294	1.5
215.10750	1.7
217.06796	1.6
217.08629	6.8
217.12141	13.8
218.07309	2.4
219.08051	8.6
220.08751	4.9
221.05922	3.2
221.09601	5.0
222.10396	3.7
223.07587	4.5
223.11057	4.7
225.09082	5.0
227.06978	2.1
231.08031	5.1
232.08731	2.9
233.09610	3.0
234.06732	3.2
235.07448	4.2
235.11150	13.9
236.08319	3.0
237.09071	7.3
238.09850	4.7
239.06941	2.9
239.10677	6.5
240.11339	2.1
241.08658	2.0
241.12128	2.0
247.07465	5.4
248.08296	7.6
249.09169	9.0
249.12729	3.3
250.06277	1.8
250.09517	2.0
250.13528	9.8
251.06976	3.7
251.10664	11.2
252.11353	7.7
253.08713	2.4
253.12201	6.8
255.06595	1.9
255.10101	3.0
256.07294	3.5
261.09119	3.0
262.06250	2.2
262.09985	2.5
263.10703	10.3
264.11005	2.1
265.08591	5.4
265.12308	5.1
266.09088	3.3
266.12885	9.5
267.10159	4.7
267.13647	3.8
268.10779	2.6
269.11749	2.3
271.09586	5.9
277.08557	6.1
277.12091	4.2
278.09473	2.2
278.12903	6.5
279.07132	2.1
279.10168	10.0
279.13654	1.6
280.10764	2.5
281.08472	1.9
281.11771	7.8
281.15344	23.0
282.12167	3.0
283.09625	3.9
283.13232	2.7
284.10278	2.2
291.10065	9.9
293.11578	3.7
294.08945	3.0
294.12396	4.3
295.09601	3.3
295.12973	1.7
297.11124	4.9
305.24863	3.7
308.10248	2.1
309.11160	12.6
309.14813	43.0
310.11899	3.4
310.15222	2.1
311.12708	6.7
312.13538	3.2
313.14551	1.8
313.17999	4.6
323.12689	4.1
323.16168	2.3
323.25854	3.8
326.11221	3.0
341.10229	9.5
341.13727	33.8
341.17462	65.8
342.14246	3.4
342.17798	4.3
359.03223	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.9
55.01867	6.5
55.05510	30.2
57.07072	10.5
62.51794	3.7
65.03928	5.9
67.05502	30.8
69.03428	8.0
69.07069	42.8
71.04984	10.5
71.52819	6.6
79.05487	38.8
81.03411	11.3
81.07051	97.2
83.04982	6.7
83.08615	17.3
85.06535	11.2
91.05437	34.6
93.07031	45.0
95.04958	16.6
95.08601	77.3
95.60136	3.7
97.06535	16.0
97.10172	19.8
103.05460	14.9
105.07026	43.0
107.04938	28.6
107.08582	51.5
109.02850	4.1
109.06528	14.8
109.10143	41.4
111.04443	4.2
111.08083	5.7
111.11695	7.4
115.05441	10.0
115.07600	3.9
116.06264	4.2
117.07026	11.2
119.05034	4.7
119.08551	27.5
121.06534	13.6
121.10141	32.9
122.03658	10.5
123.04389	7.1
123.08093	4.9
123.11714	33.1
125.09676	5.6
128.06212	14.4
129.07025	15.5
131.04919	10.1
131.08571	11.5
133.02849	5.3
133.06456	8.3
133.10127	21.1
133.67810	4.0
135.04414	10.2
135.08044	28.1
135.11702	20.5
136.05217	8.6
137.05966	100.0
137.09608	9.7
137.13196	10.7
138.06262	6.9
139.11227	9.9
141.06889	6.0
143.08521	22.7
145.06485	14.7
145.10181	10.3
146.07262	10.1
147.04361	6.3
147.08052	8.3
147.11713	12.6
149.05984	9.9
149.09619	7.1
149.13232	24.8
151.03889	6.9
151.07532	64.5
151.08661	5.2
151.11191	7.0
152.08049	5.3
155.08575	7.9
157.10057	5.9
157.12254	5.6
159.08081	13.5
159.11694	5.1
161.05972	16.6
161.09599	6.7
161.13226	6.8
162.06763	5.3
163.03925	4.2
163.07547	57.7
163.14836	10.7
165.05437	8.3
165.09103	27.2
165.12758	4.2
167.07007	11.1
169.06548	4.8
169.10138	6.5
171.08049	12.4
171.11632	7.0
173.05914	8.5
175.07526	29.5
175.11111	6.0
177.05453	10.5
177.09122	18.1
177.16373	9.0
179.08603	3.8
179.10666	6.4
179.14325	4.1
181.05008	5.4
183.07990	6.1
183.11708	5.3
184.68739	4.2
184.70607	3.8
187.07541	19.5
188.08340	12.2
189.05524	8.0
189.07242	5.3
189.09077	18.1
191.07004	7.9
191.08560	9.0
191.10638	4.2
202.07877	4.9
203.08626	10.5
203.10698	45.7
205.06599	7.2
205.08707	7.2
206.07104	6.3
217.08531	9.2
217.12216	4.2
218.07272	6.8
219.08052	11.0
220.08838	7.1
221.09688	10.9
223.07506	5.6
225.09186	6.6
235.07567	5.1
237.09138	5.4
238.09857	5.5
239.07028	4.8
239.10553	7.8
240.07658	6.1
247.07350	4.3
248.08339	12.4
249.09128	12.6
249.12849	6.0
251.06902	5.6
251.10745	13.0
253.12241	7.2
263.10651	10.1
265.08615	9.7
266.09003	5.4
267.16156	4.8
271.09500	7.2
276.07779	9.2
277.08530	8.0
277.25302	13.6
279.10199	16.8
280.10617	4.9
281.08090	9.4
281.11765	9.8
281.15323	9.3
291.10214	14.7
293.24725	12.8
295.09653	4.5
295.13248	5.4
296.10352	5.5
297.11179	11.3
305.24725	23.3
309.07941	4.8
309.11197	20.9
309.14731	14.0
310.11725	6.4
311.12598	10.0
313.10751	4.4
323.12692	10.2
323.25784	11.9
341.10199	16.8
341.13766	45.2
341.17453	36.6
341.21094	55.0
342.14124	11.8
342.17752	8.2
342.21436	8.0
359.56400	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	341.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79857	4.8
55.05508	25.3
57.07077	29.2
67.05486	19.2
69.07058	34.6
71.04974	16.5
71.08614	17.5
71.52689	5.0
72.15582	4.2
79.05486	17.5
80.45126	4.0
81.07051	100.0
83.04182	4.1
83.08627	21.6
85.06522	6.4
85.10191	8.1
91.05441	21.0
93.07048	57.0
95.08601	70.8
97.10148	17.9
103.05456	8.5
105.07017	45.0
107.08591	57.4
109.06505	17.0
109.10159	48.0
111.08064	11.1
111.11716	6.3
113.41458	3.9
115.07611	4.9
117.07008	9.1
119.08570	74.9
121.10136	44.6
123.11694	13.4
131.08543	15.9
133.10118	27.7
135.08047	8.8
135.11697	30.4
137.05948	7.2
137.09554	7.7
143.08536	15.2
145.10112	24.9
147.11676	24.9
149.13237	27.0
151.03879	7.4
151.07513	34.4
151.11108	7.1
157.10139	13.9
159.11693	43.7
161.13261	18.4
163.07542	13.2
163.14792	31.5
165.09053	6.9
171.07983	7.1
171.11667	11.8
173.05977	5.9
173.13239	28.4
175.03839	4.6
175.14806	15.3
177.09172	4.8
177.12669	5.7
179.14383	6.5
183.11572	6.1
185.13243	9.2
187.14812	18.8
188.08162	5.2
189.16397	14.7
191.17964	15.6
199.14845	10.8
201.16434	11.1
203.10693	17.7
203.17865	5.1
213.16318	15.5
215.18021	13.8
217.19476	5.6
225.16440	7.0
227.17863	15.9
229.19518	8.6
239.10677	8.3
241.19449	5.1
243.21069	6.1
251.10669	5.0
253.19498	4.5
267.21021	10.5
281.22537	6.3
283.24213	50.0
295.16992	9.1
322.94260	4.9
323.27264	49.5
341.13748	13.2
341.17490	28.1
341.28073	60.0
342.17697	4.9
342.37393	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	341.3046
Annotation	Glycidyl stearate
Peak:m/z	Relative Intensity
55.05505	10.0
57.03440	20.5
57.07073	66.4
59.56165	1.7
61.83016	1.6
67.05495	15.0
69.07059	14.2
69.22469	3.1
69.22877	14.5
71.08626	42.1
79.05491	9.4
81.07051	22.1
83.08611	12.0
85.10175	31.2
89.06025	3.9
91.05448	8.5
91.68575	1.3
93.07024	4.5
95.04937	2.2
95.08596	30.0
97.10143	12.2
103.07589	3.6
105.06996	4.2
107.04902	3.7
107.08549	2.8
109.10137	13.5
111.11709	4.6
117.07001	2.6
118.66386	1.4
119.08572	8.9
121.10136	2.7
123.11718	4.7
128.06152	1.5
136.05170	4.3
137.05984	2.6
137.13275	2.1
143.08516	1.9
151.03981	1.6
151.07524	68.1
151.26161	1.4
152.07901	2.3
165.09102	5.6
171.08006	2.2
177.09079	2.1
177.16354	2.2
177.68967	1.5
188.08394	1.5
189.09166	2.0
203.10646	6.0
216.07951	1.4
217.12236	4.0
250.45930	1.5
257.15341	8.3
267.26859	1.9
285.27911	3.9
341.17566	2.9
341.30475	100.0
342.17737	1.8
342.30795	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	48.3
57.07071	48.2
67.05504	16.5
69.07062	100.0
70.12104	6.0
70.12540	3.2
71.04973	3.2
71.08627	37.1
73.06536	2.5
79.05478	9.0
81.07052	48.7
83.04968	3.3
83.08613	77.5
83.33675	1.7
85.06533	8.6
85.10173	19.9
91.05448	9.6
93.07035	20.2
95.04959	2.2
95.08601	50.7
97.06516	14.9
97.10161	48.4
98.21440	1.9
99.04462	2.7
99.11742	2.9
101.06057	2.5
102.73737	1.9
105.07024	14.8
107.04935	3.1
107.08575	21.4
109.06519	3.4
109.10158	28.5
111.08066	8.4
111.11715	26.1
115.07595	9.9
119.08561	14.5
121.10115	13.8
123.08028	5.3
123.11697	14.8
125.09621	6.9
125.13254	14.6
127.07552	4.2
128.06181	3.6
129.09091	4.6
131.04890	2.0
133.06509	2.0
133.10120	13.2
135.04381	2.4
135.11667	12.4
136.05229	3.1
137.06007	3.7
137.09613	7.2
137.13263	6.1
139.11191	4.8
139.14870	3.8
143.08585	8.7
143.10732	2.5
145.06491	2.0
147.11676	14.1
149.13242	7.3
150.06744	2.7
151.07524	20.4
151.11185	7.4
151.14798	4.6
153.12741	4.6
153.16310	2.4
155.10692	5.8
157.12267	2.3
161.13242	12.2
163.14793	4.9
165.09108	11.2
165.12732	11.7
167.14346	4.6
169.12253	3.9
171.08060	11.4
175.07561	2.8
175.14830	6.0
177.16386	3.4
179.14301	15.2
181.15851	2.7
183.13791	4.6
185.15408	1.6
188.08344	7.4
189.09018	2.7
191.17957	3.3
193.15877	5.8
197.15448	3.7
203.10623	25.2
203.17928	3.0
204.10950	2.7
205.19583	1.6
207.17351	3.5
209.19023	2.3
221.19095	2.1
223.20552	1.9
249.21942	2.8
263.27368	5.2
263.38818	1.7
287.27396	6.1
297.11203	5.0
305.28372	8.3
309.14713	2.5
312.13449	2.9
341.13562	2.8
341.17404	27.4
342.17859	2.3
342.37286	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	342.1694
Annotation	ISOCORYDINE (+)
Peak:m/z	Relative Intensity
53.84716	0.4
58.06567	1.9
70.68274	1.4
96.45781	0.6
125.05959	0.6
133.44658	0.5
137.05894	1.4
153.01784	0.7
163.13217	1.2
165.06981	1.8
175.07541	0.5
178.07626	1.4
178.08810	1.0
179.08514	2.2
180.09254	1.2
181.06386	0.7
183.07947	0.6
189.07019	1.5
190.07709	3.1
191.08525	12.0
192.09215	1.4
193.06415	1.7
193.10167	0.6
194.07149	2.4
195.07956	1.4
202.07753	1.0
203.08360	1.1
205.06424	2.3
206.07217	3.8
207.08054	4.5
208.08797	6.1
209.09682	1.4
218.07233	3.3
219.08017	11.7
220.08727	2.8
221.05881	4.5
221.09451	3.0
222.06744	2.3
222.10370	1.0
223.07568	1.2
223.11169	2.4
224.08194	1.3
231.08067	4.9
233.05920	1.7
233.09589	2.2
234.06705	2.0
235.07504	12.3
236.08279	39.5
237.05339	0.7
237.09000	10.5
238.06201	6.2
239.10629	0.6
246.06647	1.2
247.04938	1.0
247.07500	19.9
248.08272	39.0
249.05482	1.3
249.08900	4.4
250.09805	1.2
251.06859	0.8
251.10632	18.2
252.07835	0.8
252.10844	0.7
253.08560	7.6
261.09119	1.7
262.09723	2.0
263.06998	7.2
264.07770	47.3
265.08533	35.9
266.05801	0.6
266.08920	1.7
267.10083	6.6
268.10831	1.1
274.04578	0.7
275.10568	0.6
277.08426	0.9
278.09268	1.5
279.10120	100.0
280.10837	28.9
281.08078	19.0
281.11237	2.1
282.08423	1.4
283.13141	0.5
284.10422	1.0
293.11618	0.9
296.10391	24.5
297.03894	0.9
297.10831	2.3
299.12744	1.7
302.04190	1.5
311.12720	70.1
312.13040	4.1
315.04947	0.6
342.05911	3.3
342.16956	64.6
343.17365	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	342.1696
Annotation	Secocularidine
Peak:m/z	Relative Intensity
58.06596	95.4
71.51431	1.3
72.09145	0.7
74.87471	0.6
96.60021	0.6
123.04441	1.4
163.11151	0.9
165.07027	1.8
166.07785	1.1
169.75653	0.6
177.06940	0.6
178.06001	0.8
178.07741	0.7
179.08543	1.6
181.10204	0.7
189.06937	0.9
190.07759	1.6
191.06952	1.1
191.08534	9.3
193.06470	0.9
194.07314	2.8
195.08011	1.9
201.53468	0.7
205.06468	3.4
206.07274	0.9
207.08078	4.8
208.08827	2.0
209.09576	4.9
218.07321	1.9
219.08058	7.2
221.05988	1.6
222.06731	10.1
223.07416	1.9
223.68480	0.6
225.08957	0.6
225.12807	0.6
233.05981	2.6
235.07407	2.8
236.08267	2.7
237.09076	13.5
238.09563	1.2
239.06975	1.5
247.07603	3.2
249.05399	1.1
249.08949	0.6
250.06290	2.2
251.07091	1.0
251.10643	0.8
253.08501	0.9
255.10254	1.6
263.07178	1.2
264.07748	0.9
265.08569	38.1
266.09003	2.5
267.06580	4.2
267.10168	1.6
269.11783	0.7
279.10126	2.1
282.08850	14.2
283.09335	0.9
284.10519	1.0
297.11194	49.0
298.11649	2.8
299.09659	0.8
299.12753	6.0
303.37170	0.7
311.12802	1.4
342.16974	100.0
343.17410	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	342.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31785	7.8
57.53137	8.2
59.04954	11.5
67.05482	8.4
69.03413	37.4
69.07047	11.8
70.06572	14.9
71.04984	19.6
79.05489	15.4
81.03409	15.8
81.07059	13.8
85.02906	48.9
86.55347	8.8
87.04440	11.8
89.06016	100.0
93.07036	9.4
95.04962	9.9
97.02885	63.4
98.97574	27.2
99.04483	21.7
99.19404	9.7
105.07028	15.4
109.02860	15.6
115.03924	11.8
116.98593	22.0
121.10114	13.3
123.04407	20.5
127.03866	23.2
133.02875	9.8
134.06013	31.0
135.06519	30.8
137.05917	23.0
139.03889	12.0
145.04947	21.1
151.03867	17.0
162.05397	40.8
163.03979	19.3
167.06993	11.9
177.00740	12.5
179.03384	45.4
180.03802	61.9
180.06508	85.8
180.10074	10.8
181.04997	15.4
204.26277	8.4
214.58685	12.8
230.60831	10.1
237.02818	20.3
293.09079	19.0
294.09424	9.5
335.10339	11.0
342.11996	13.2
343.13611	33.8
360.02850	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	342.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31350	1.9
53.03925	2.6
55.05484	2.4
57.03424	9.1
61.02896	2.4
69.03424	9.2
70.96318	4.5
71.04971	4.2
71.08624	5.4
72.62437	2.5
73.02898	2.4
73.25038	2.0
74.08185	2.0
79.05482	6.6
81.03403	5.8
81.07039	22.1
85.02908	23.3
87.04448	3.4
91.05820	4.5
95.04963	3.8
97.02856	10.8
98.41222	2.3
99.04452	3.7
99.08099	21.8
102.81300	2.2
109.02885	3.6
109.06528	16.3
116.98589	3.1
117.09123	95.9
123.04482	2.8
123.52230	2.1
127.03913	3.3
127.07549	42.3
133.02850	7.7
134.05984	4.3
135.04388	6.0
145.04994	4.3
147.88391	2.4
153.66830	2.4
161.07074	3.5
162.05511	3.6
163.03893	100.0
163.09641	21.5
164.04301	3.9
167.05397	2.2
179.03404	3.6
180.03709	2.5
180.06566	15.1
180.08670	3.5
180.12270	3.3
181.04968	2.8
190.06912	2.4
191.55627	2.4
203.07567	3.7
207.07631	2.6
208.08028	5.1
324.12918	14.9
343.13550	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1537
Annotation	(-)-Chicanine
Peak:m/z	Relative Intensity
50.75900	0.6
53.03932	2.0
55.01862	1.8
55.05508	1.5
56.69406	0.6
57.03421	1.1
65.03937	2.4
67.05484	2.6
69.03404	2.3
69.07055	2.0
70.77632	1.6
74.88904	0.6
79.05483	5.3
81.03378	0.8
81.07037	3.0
83.08595	1.5
85.02885	0.9
91.05471	14.4
93.07036	3.2
94.04209	3.5
94.04684	0.8
95.04995	3.5
95.08597	3.1
96.39365	0.8
97.06487	0.8
98.97626	0.8
103.05457	4.6
105.07023	5.4
107.04948	19.4
107.05635	0.7
107.08572	1.5
108.01999	0.7
109.06512	2.8
109.10155	1.3
110.85532	0.7
111.04457	1.4
111.08004	0.7
115.05457	5.6
116.06257	1.0
117.07001	5.9
119.04931	7.1
119.08560	2.2
121.06493	9.0
121.10159	1.1
122.03633	7.7
123.04406	1.4
125.05984	1.0
125.09661	0.7
128.06212	1.0
129.06999	6.0
131.04927	3.6
131.08568	2.3
132.05704	1.2
133.06487	1.9
133.10124	1.3
134.07220	0.7
135.04393	3.0
135.08044	2.9
136.05148	1.0
137.05963	100.0
138.06314	2.0
139.03899	0.8
141.05484	2.0
141.07014	1.6
143.04913	0.8
144.05611	1.2
145.06470	4.0
145.10141	1.4
146.03604	1.6
146.07251	2.2
147.04385	6.9
147.11668	0.7
149.06001	4.4
149.09639	2.1
150.06741	2.0
151.03896	47.9
151.04977	3.2
151.07521	11.1
152.04230	1.2
152.07907	1.2
153.05464	1.6
157.06487	7.7
158.07178	1.0
159.08051	3.0
159.11710	0.9
160.05164	0.9
161.05974	9.1
161.09619	2.5
162.06702	1.6
163.07541	15.4
163.11214	0.9
164.08112	1.3
165.05579	1.4
165.06958	1.3
165.09131	4.6
166.07765	0.7
167.07065	4.6
169.06470	1.3
173.05994	1.6
174.06761	4.7
175.07550	5.0
177.05580	1.2
177.09096	25.5
178.07802	2.0
178.09399	1.1
179.07004	2.0
179.08493	1.5
181.05009	0.8
181.06398	1.4
181.08505	0.7
181.12117	0.6
187.07538	1.7
188.08304	0.9
189.09091	16.5
190.07796	1.7
191.03293	1.3
191.07010	1.3
191.10672	1.8
193.06451	1.4
193.10188	1.0
194.07281	1.5
195.08083	1.3
197.05916	0.8
201.09117	2.4
203.08467	0.9
203.10666	0.7
205.06627	1.2
205.08455	1.4
205.10136	1.8
206.07204	0.9
207.08090	1.8
209.09482	0.8
210.06863	0.8
211.07578	1.1
215.08600	1.0
215.10657	0.6
218.07312	1.9
219.08200	1.3
219.10159	3.2
221.05946	2.5
221.09671	2.7
222.06613	1.1
222.10309	0.9
223.07460	1.6
224.08276	1.1
225.09007	0.8
233.09573	5.1
234.10054	0.7
235.07553	2.1
237.09033	1.0
238.06184	1.0
239.06950	1.4
241.08542	1.2
247.07516	1.1
249.05345	0.8
249.09088	1.8
250.06291	0.9
250.09850	2.3
251.10678	0.9
252.07776	0.9
253.08594	1.0
253.12292	2.1
254.09114	0.9
255.06639	0.8
255.10228	1.3
257.08127	1.7
261.09119	5.5
263.07050	1.6
265.08536	1.9
265.12244	2.7
266.09357	0.8
267.10178	1.5
269.08145	3.1
272.10394	1.4
277.08936	0.8
278.09262	1.2
279.10196	2.3
281.08167	0.8
281.11728	2.5
282.08868	2.3
282.12271	1.0
283.09674	1.9
284.10428	2.8
293.11697	9.1
294.12338	2.1
295.09653	1.9
295.12775	0.9
296.10306	0.9
297.11118	1.8
297.14758	0.8
299.12891	1.3
310.08484	0.7
310.11938	2.3
311.12546	1.2
311.16406	1.6
313.14322	11.3
315.12259	1.0
325.10828	1.1
325.14304	13.3
326.14633	1.1
343.07913	1.1
343.11682	6.8
343.15399	11.4
343.19006	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	343.1536
Annotation	Maoecrystal P
Peak:m/z	Relative Intensity
51.02385	0.8
55.01842	1.0
67.05476	1.3
70.83837	1.8
70.84204	1.7
71.04988	0.8
78.04681	1.0
79.05499	4.1
81.07059	1.2
91.05476	10.9
93.07026	2.5
95.04967	2.6
95.08601	1.1
103.05447	3.0
105.07013	3.2
106.04236	0.8
107.04956	10.1
108.05729	1.3
109.06533	1.7
115.05493	1.3
117.07019	2.9
118.04100	0.8
119.04980	4.6
119.08526	1.2
121.06505	10.9
122.03603	0.9
123.04409	3.4
123.08002	1.2
124.05222	1.7
125.05977	3.0
129.06998	4.5
131.04903	5.9
131.08560	1.3
133.06479	2.6
134.03616	0.9
134.07231	1.0
135.04407	7.0
135.08054	2.1
136.05190	46.1
137.05994	9.2
138.06747	4.3
139.07524	2.1
145.06454	4.0
146.07256	9.6
147.04382	2.9
148.05193	1.7
149.05956	8.5
150.06760	6.3
151.03894	1.8
151.07538	67.3
152.06165	0.9
152.07863	1.9
153.05428	1.3
153.07008	1.2
155.08545	1.7
157.06512	4.5
159.04405	1.2
159.07986	1.4
161.06020	6.1
161.09634	1.5
162.06772	2.7
163.07520	4.1
165.05554	1.9
165.06982	5.1
165.09097	17.1
166.07877	1.1
166.09317	1.2
167.07098	8.0
167.08458	1.7
174.06743	10.4
175.07397	1.3
177.09116	10.3
178.07716	1.4
179.08537	0.9
181.06488	2.8
181.08664	1.2
182.07336	1.4
183.08023	8.2
189.09108	11.5
190.06253	2.9
190.07823	1.1
191.08623	0.8
193.06435	2.7
194.07246	2.0
195.07953	3.8
196.05241	0.9
196.08797	1.7
197.09628	1.9
199.07565	0.8
201.09084	1.1
203.10641	1.8
205.08574	32.8
207.08119	2.0
208.08807	3.1
209.05989	1.1
209.09608	3.5
210.06761	1.9
210.10364	2.5
211.07527	10.7
211.11078	0.9
212.08279	2.3
215.10608	1.6
218.07353	1.5
219.08127	4.6
219.09975	1.2
220.08826	4.0
221.06003	2.0
221.09486	1.3
222.06731	1.1
223.07567	3.4
223.11133	1.8
224.08293	2.4
225.09140	6.1
226.06050	1.2
226.09872	3.9
227.10608	1.8
228.07828	1.4
233.09581	1.9
235.07506	3.6
236.08206	4.0
237.09077	3.2
238.09824	2.9
239.07013	4.2
239.10548	1.6
240.07649	1.3
241.12280	5.2
242.09505	1.9
243.10210	4.4
247.07516	2.5
248.08406	1.1
249.09058	2.1
250.09906	2.6
251.10617	6.5
252.11388	1.8
253.08659	4.4
254.09427	4.7
255.10037	3.8
256.10751	1.3
257.11792	1.7
260.30716	0.9
261.09125	1.3
263.10684	1.6
264.07855	1.0
265.08594	1.1
267.10022	2.4
268.10916	2.0
269.11700	7.9
270.09329	0.8
270.12454	4.5
271.09668	21.7
272.09988	1.2
279.10153	20.5
280.10556	1.6
281.11728	1.1
283.13272	1.9
285.11185	9.3
286.11978	79.2
287.12363	2.9
294.09344	1.7
294.12479	20.6
295.09650	2.2
295.12897	1.0
297.11160	2.8
300.13556	18.3
301.14340	11.9
310.12021	2.4
311.09604	1.0
311.12512	4.1
312.13477	4.0
314.11401	1.0
325.14331	17.4
326.14651	1.1
343.15387	100.0
344.15802	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1537
Annotation	Maoecrystal P
Peak:m/z	Relative Intensity
53.03938	1.4
58.40856	0.6
58.44876	0.6
66.04718	0.9
69.47088	5.8
79.05492	2.1
81.03430	0.8
81.07047	0.8
91.05465	5.8
93.07033	1.2
94.04190	0.7
95.05003	1.4
103.05477	1.7
105.07018	1.1
107.04946	8.8
108.05733	4.7
109.06504	1.6
115.05457	2.5
117.07001	3.2
118.04140	0.9
119.04948	1.0
119.45823	0.8
121.06480	6.0
124.05221	4.5
130.04132	1.7
131.04915	11.1
132.05750	5.9
133.06477	1.0
135.04385	2.7
136.05194	7.2
137.05975	5.2
138.06757	1.1
139.07513	18.1
141.14665	0.8
145.06444	6.4
146.07262	13.1
147.04358	1.3
147.08046	1.2
149.05988	1.1
150.06706	1.5
151.07527	100.0
152.07877	3.0
157.74861	0.7
158.07234	1.6
160.05174	11.6
161.05937	1.9
162.06743	4.8
163.07565	1.2
165.05469	7.5
165.06882	1.6
165.09102	6.2
167.07028	12.5
174.06746	3.0
175.07529	29.6
176.07878	1.3
177.09090	31.3
179.07076	0.8
179.08557	1.7
183.08125	0.8
189.09094	3.7
190.06226	1.7
190.09576	0.7
191.08502	1.0
194.07222	1.3
195.08034	2.6
196.08733	0.9
203.08662	1.0
205.08585	9.3
207.08044	3.4
208.08731	2.0
210.06815	0.9
211.07547	0.8
211.11211	1.0
212.08247	0.9
214.13739	0.7
218.07288	1.8
219.08113	4.0
219.10013	1.0
220.08850	4.0
221.06088	1.2
221.09587	2.8
223.07553	3.4
223.11172	1.0
224.08282	2.6
225.09070	2.0
233.09579	1.1
234.06711	1.5
235.07611	4.2
236.08345	7.1
237.08989	4.4
238.09882	6.3
239.07008	1.5
239.10651	6.7
240.23178	3.0
247.07526	2.8
248.08308	2.1
249.09065	2.3
250.09833	3.2
251.06958	0.8
251.10667	10.5
252.07675	2.0
253.08504	1.8
254.09264	1.6
255.10085	2.3
261.09085	1.0
262.09869	4.3
263.07086	2.1
263.10614	6.0
264.07770	2.7
264.11197	1.2
265.08505	1.6
266.09351	1.0
267.10132	19.3
268.10788	2.7
269.11728	3.9
271.09613	1.7
277.08853	1.0
278.09372	4.5
279.10132	20.5
280.10614	2.0
281.11713	3.0
282.12479	19.2
283.09619	7.1
283.12982	2.2
285.11227	1.6
286.11993	5.7
293.11673	7.4
294.12460	36.0
295.09613	8.0
295.12915	1.8
297.11197	7.6
298.12012	8.0
299.12531	1.1
300.13593	0.9
301.14337	2.1
309.11325	2.1
310.11960	15.2
311.12451	1.9
312.13498	5.3
313.14288	29.0
314.14539	1.4
315.15778	2.2
325.14310	60.3
326.14706	4.2
343.15353	56.0
344.15659	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	343.1535
Annotation	Maoecrystal P
Peak:m/z	Relative Intensity
53.02414	1.1
70.68340	3.6
75.15289	1.2
85.18340	1.2
91.05467	5.3
95.04951	1.8
103.05437	1.4
105.06989	1.9
107.04952	3.9
108.05724	1.9
109.06494	1.6
112.26860	1.2
119.04949	3.5
121.06497	11.0
123.04374	1.7
123.08060	1.2
125.05976	1.4
131.04901	3.1
133.06500	1.3
135.04395	4.0
135.08078	1.3
136.05179	44.1
137.05942	4.0
138.06752	3.5
139.07507	1.7
145.06456	3.4
146.07259	8.5
147.04465	1.4
148.05275	1.2
149.05951	6.3
150.06741	3.6
151.07524	55.5
155.08475	1.4
161.05949	1.9
162.06738	1.6
163.07515	2.9
165.05650	1.4
165.06972	5.3
165.09073	13.2
174.06761	8.9
177.09093	14.2
179.08620	1.4
183.08037	7.4
189.09152	2.4
190.06204	2.9
193.06458	1.4
194.07310	1.4
195.08023	2.6
205.08577	35.0
207.08057	2.0
208.08760	1.8
209.09583	2.5
210.06818	2.3
210.10349	2.4
211.07558	8.8
212.08386	2.3
218.07169	1.4
219.07874	1.7
220.08739	2.6
221.05756	1.6
223.07523	1.5
224.08344	1.5
225.09048	5.1
226.09900	3.5
233.09581	1.9
235.07513	2.5
236.08246	4.2
238.09799	2.5
239.06947	3.8
241.08592	1.3
241.12273	5.6
242.09297	1.7
243.10178	3.0
248.08174	1.5
250.10010	3.0
251.10651	4.7
253.08467	2.9
254.09282	3.7
255.10106	5.8
257.11642	2.4
264.07864	1.4
267.10025	1.8
269.11765	6.5
270.12338	3.6
271.09628	16.1
279.10150	16.3
285.11255	7.7
286.11957	74.9
287.12244	5.1
294.12460	18.2
297.11063	2.8
300.13589	13.6
301.14340	10.3
310.11917	2.0
311.12531	1.5
312.13504	4.3
325.14276	14.9
343.15363	100.0
344.15863	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	343.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.6
53.25459	1.5
55.01860	3.4
55.43073	1.5
65.87605	1.4
67.05489	3.0
71.53008	1.9
79.05476	9.0
85.69073	1.5
91.05474	17.9
93.47034	1.4
93.56557	1.3
95.04948	6.5
96.99539	1.4
103.05450	6.5
104.06250	3.4
105.07038	13.9
107.04944	100.0
107.08588	2.2
115.05426	7.7
117.06989	4.3
119.04959	7.8
121.06524	2.2
124.05163	5.8
131.04875	5.5
131.08545	6.6
133.06493	10.9
135.08038	10.5
136.05132	2.1
137.05966	11.3
144.33760	1.3
145.07619	2.7
146.42705	1.3
147.04367	22.5
149.05946	13.4
151.03896	35.2
151.04977	2.7
151.07541	31.0
152.07924	2.5
159.08031	6.5
161.06012	1.7
162.06723	3.1
163.07533	97.2
164.08331	24.1
165.09105	20.1
170.57854	1.6
176.08241	2.5
177.08961	1.6
179.07034	13.3
180.07788	14.5
187.07506	6.0
191.10657	23.9
205.08644	2.9
217.03491	1.6
219.10133	4.3
263.17667	1.8
273.18280	1.9
286.12006	2.1
293.11456	1.9
297.14728	1.8
325.14297	2.8
343.15259	9.4
343.18851	2.0
343.22403	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	343.1535
Annotation	Wulignan A2
Peak:m/z	Relative Intensity
55.01853	1.4
67.05488	1.1
68.75520	1.1
69.31902	7.0
69.32336	4.0
79.05471	3.6
85.02879	3.1
91.05443	10.5
93.07030	2.7
94.04148	1.8
95.04953	4.5
98.20749	2.2
102.04666	1.3
103.05445	10.6
105.07018	7.0
107.04942	12.8
109.02879	1.2
109.06486	2.5
114.71522	1.2
114.72587	1.1
115.05397	4.7
117.06984	3.0
119.04915	2.1
121.06468	3.2
121.10075	1.3
122.03659	6.9
122.07240	2.0
123.08061	1.1
129.06932	1.2
130.04141	2.9
131.04919	9.5
131.05762	1.5
133.01811	1.1
133.02794	1.2
133.06447	6.7
135.04378	1.4
135.07993	3.7
137.05952	100.0
138.06287	3.8
141.06946	3.0
145.06439	2.1
146.03629	5.8
147.04355	5.9
147.08003	3.1
149.05975	7.9
151.03879	3.0
151.07504	8.3
153.05388	1.7
157.06454	1.6
158.07246	1.3
159.07991	2.0
160.05220	1.3
161.05968	32.9
161.09654	1.3
162.06709	10.8
163.07524	27.2
163.11150	5.0
165.06918	2.2
167.06984	4.0
169.06425	4.3
173.09596	2.0
174.06728	2.1
175.07516	28.7
177.05402	1.9
177.09184	5.2
179.08696	3.6
181.04910	3.8
181.06432	1.8
181.08519	4.2
186.06761	1.6
187.07462	1.4
189.09003	1.5
190.07722	2.5
191.03400	2.5
192.10161	1.6
193.08615	2.2
194.07176	3.7
195.07997	2.6
195.69109	1.1
201.09042	4.6
203.08548	1.3
205.06444	3.8
205.10057	4.9
207.07979	4.1
208.08723	1.8
209.05928	1.4
209.09509	2.4
211.07570	3.3
215.08490	1.9
218.07202	3.1
219.08133	2.6
219.10136	6.9
221.05823	3.2
221.09554	1.9
222.06686	3.7
222.10416	1.9
223.07397	3.3
224.08226	1.6
232.08801	1.4
233.05942	3.2
233.09593	8.7
234.10281	1.5
235.07504	4.5
236.08070	2.2
237.05508	1.7
237.09013	7.5
239.07100	1.6
239.10626	3.4
241.08553	3.2
249.09088	2.2
250.06168	3.8
250.09782	3.5
251.06985	3.2
252.07558	2.1
253.08511	3.3
254.09270	3.8
261.08936	5.6
263.06989	2.8
264.07724	1.5
265.08545	13.1
265.12137	7.7
266.09219	2.9
267.06482	2.2
267.10049	6.3
269.08008	6.6
269.11624	1.5
278.09338	4.1
279.10031	2.6
281.08078	2.3
282.08862	5.9
284.10355	5.1
293.11624	15.1
294.12408	3.8
295.09692	3.2
296.10318	1.7
297.11197	44.5
297.14523	2.1
298.11572	2.6
299.12726	23.1
310.12009	5.4
311.12689	31.3
312.13138	2.2
315.15802	1.3
325.10651	2.3
325.14258	25.3
326.14615	1.7
343.11584	1.8
343.15231	26.3
344.15408	2.8
347.11972	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1536
Annotation	Maoecrystal P
Peak:m/z	Relative Intensity
50.41280	1.7
53.38290	1.8
57.07043	2.3
64.30350	2.3
70.72587	2.4
70.72959	6.6
79.05466	3.1
87.57451	2.5
91.05475	7.3
103.05444	3.7
105.06995	4.0
107.04927	7.9
108.05724	3.7
115.05450	2.6
121.06487	3.6
124.05177	4.4
131.04895	10.2
132.05647	5.5
133.06519	3.8
135.04376	3.2
136.05203	2.7
137.06030	10.8
139.07530	16.0
145.06487	6.4
146.07242	10.6
149.05867	2.6
150.06703	2.7
151.07523	100.0
152.07861	2.7
152.34987	2.3
158.07286	3.0
160.05186	10.4
161.05975	4.3
162.06689	3.3
163.07513	3.2
165.09103	22.9
167.07074	12.1
175.07535	29.0
177.09076	30.5
189.09096	2.8
195.08073	3.7
205.08527	6.0
206.07417	2.6
207.08093	4.5
208.08786	3.3
219.08005	3.9
220.08772	3.1
221.09691	3.1
224.08316	3.1
225.09096	3.6
235.07576	4.0
236.08348	4.6
237.09113	2.7
238.09900	5.3
239.10646	4.3
240.23215	4.1
247.07527	3.1
251.10628	8.2
253.08543	2.3
262.09900	2.8
263.10626	6.0
264.07730	3.7
266.18362	2.1
267.10110	21.9
269.11682	3.4
278.09439	3.8
279.10104	20.0
281.11795	3.1
282.12527	25.7
283.09586	8.2
283.12680	2.3
286.11874	3.4
293.11551	4.7
294.12473	37.6
295.09573	9.0
295.12531	2.7
297.11102	8.7
298.11938	6.9
309.11203	2.9
310.11890	19.9
312.13376	3.5
313.14297	24.8
325.14282	48.8
326.14703	3.3
343.11588	3.2
343.15308	47.3
357.59244	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1535
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
53.03922	2.7
55.05497	4.2
57.07055	3.9
65.03934	3.3
67.05494	5.9
69.03420	5.9
69.07063	4.9
79.05484	12.3
79.79446	2.4
81.07028	6.0
83.08608	3.8
91.05474	22.0
93.07026	8.6
94.04177	4.9
95.04954	4.5
95.08604	5.9
103.04803	3.9
103.05461	62.1
104.91911	3.0
105.07023	18.8
107.04945	10.6
107.08575	2.9
109.06503	6.7
111.04420	3.2
111.08019	3.5
115.05423	7.2
117.06979	9.3
119.04934	9.1
119.08553	5.4
121.06493	9.1
121.10120	5.3
122.03635	7.8
123.04414	3.6
131.04904	34.0
131.08543	9.1
131.96927	2.6
133.06485	12.2
135.04398	5.0
135.08029	5.4
136.05191	5.9
137.05969	100.0
139.61105	2.6
141.06979	3.9
143.08546	3.6
145.06485	32.6
145.10124	6.2
147.04446	13.4
147.07970	3.5
148.05194	8.2
149.05972	15.6
149.09621	3.9
150.06714	7.0
151.03885	10.8
151.07527	65.4
153.05423	7.2
158.07285	4.9
159.08035	14.7
160.05225	6.1
161.05969	68.7
162.06754	11.9
163.03883	2.9
163.07538	40.8
164.08336	3.1
165.05431	12.6
165.06870	5.2
165.09100	46.2
167.06975	8.9
169.06508	3.7
173.09607	7.3
174.06752	2.9
175.07538	12.0
176.04688	3.0
176.08322	5.6
177.09100	22.7
179.07062	3.7
179.10678	5.0
186.06717	3.5
187.07509	6.1
189.09050	5.2
191.03409	6.6
191.07068	9.0
191.10672	15.6
193.08549	9.0
194.07248	3.0
195.08130	3.0
201.09073	6.8
203.10663	3.4
204.07799	19.9
205.08530	12.3
205.12123	2.8
207.08014	3.2
217.12212	3.1
218.07295	3.0
219.10146	36.7
225.09048	5.5
233.07823	3.2
235.07516	5.7
237.09065	3.6
239.10567	6.0
240.23297	3.2
241.12146	3.0
251.10486	4.9
251.14247	2.9
253.08559	5.6
261.08957	2.7
265.12213	7.0
267.10086	10.4
268.10846	4.4
269.11639	4.1
278.09344	3.6
279.10135	4.3
282.12366	3.6
283.12836	5.7
283.16934	7.6
285.11377	3.2
293.11682	12.5
294.12247	6.1
295.09738	3.5
296.10254	4.7
297.11203	5.4
299.12683	3.9
310.11969	5.0
311.12775	3.3
311.16357	7.3
325.14304	24.4
343.15295	38.1
343.18958	8.4
343.22473	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.8
57.03421	3.2
58.06592	7.0
61.02918	5.4
65.03906	1.6
67.05495	2.0
69.03420	16.6
69.65347	8.3
69.65761	3.0
70.26354	1.4
71.05000	3.2
73.02898	1.8
75.52124	1.7
79.05475	4.9
80.56903	1.4
81.03414	8.8
81.07046	11.3
83.04963	5.9
85.02891	34.9
85.06545	2.5
87.04465	2.6
91.03929	2.7
91.05463	5.7
93.07028	9.8
95.04952	21.0
95.08592	2.5
97.02891	14.0
97.06499	3.4
99.04424	3.4
105.07014	9.0
107.04940	4.7
107.08568	8.7
109.02880	3.6
109.06501	4.6
111.04449	2.0
117.06997	3.7
119.08551	4.4
121.06504	3.9
121.10134	12.0
123.04436	7.8
123.08067	2.1
125.05966	10.7
127.03916	8.8
128.68964	1.5
130.07787	2.8
131.04938	2.0
133.06479	2.1
133.10133	2.8
135.04407	3.6
135.11662	6.1
136.18910	1.7
137.05954	6.6
139.03813	2.0
145.04959	9.2
145.10095	17.3
147.04408	5.9
147.08008	2.2
149.05876	2.0
151.03888	4.2
153.05399	1.8
153.09033	2.3
161.05980	1.9
161.09502	2.4
163.03952	2.7
163.07483	2.3
163.11159	100.0
164.11575	2.2
165.05478	1.7
165.09100	4.0
177.05452	2.5
177.36884	1.9
181.04974	7.2
181.08551	2.5
181.12233	19.4
191.07086	2.9
192.06566	2.9
194.04109	1.9
203.05293	2.8
223.13159	2.1
266.08945	1.9
283.08969	1.9
298.11475	2.9
307.15399	2.3
343.13416	4.3
343.17325	9.4
344.11176	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	343.1901
Annotation	(5R)-7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-1-phenylheptan-3-one
Peak:m/z	Relative Intensity
53.03937	2.3
55.01852	3.0
58.11886	0.8
67.05472	1.3
69.54938	5.5
77.35345	0.8
79.05499	13.0
80.15050	0.8
81.03407	1.0
81.07030	2.1
91.05456	7.4
93.07024	1.2
94.04173	0.9
95.04939	3.6
95.08589	1.5
98.20758	1.5
103.05456	10.0
104.06245	2.6
105.07024	72.6
106.07332	1.8
107.04948	16.9
109.06493	1.7
111.04453	1.1
115.05421	3.6
116.06274	1.1
117.07009	1.5
119.04916	2.0
119.08552	2.0
121.06480	2.5
122.03727	2.3
124.05139	2.1
130.07864	1.0
131.04929	3.4
131.08466	1.4
132.05725	1.1
133.06485	84.3
134.06793	1.5
135.04384	1.9
135.08044	2.6
136.05164	3.7
137.05969	56.2
138.06761	0.9
143.03574	1.0
145.06429	2.5
145.10097	3.4
146.07220	1.2
147.04373	3.0
147.08054	2.7
149.05972	6.1
150.06737	3.2
151.03906	8.9
151.07535	22.4
152.07820	0.9
159.08076	1.0
161.05983	1.5
163.06314	1.5
163.07562	18.0
163.11122	1.1
164.08319	22.6
165.09106	100.0
166.09412	2.1
172.08842	1.0
173.09628	1.7
174.06824	1.3
177.05560	1.0
177.09068	3.6
179.07079	2.2
179.10660	14.6
180.07837	1.8
189.08981	1.8
191.10712	5.4
199.51344	0.9
204.07956	1.1
205.08578	4.8
205.12181	2.3
209.09598	1.6
217.12216	1.9
217.52405	0.9
219.10086	2.6
223.11111	1.4
240.23166	2.7
241.08749	1.1
241.12187	1.0
254.13126	1.2
267.10263	1.1
269.11676	1.7
283.16833	1.5
286.11969	1.3
293.15372	1.0
311.16422	1.8
325.14319	3.6
343.15353	5.6
343.18970	3.3
343.22705	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.19
Annotation	(5R)-7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-1-phenylheptan-3-one
Peak:m/z	Relative Intensity
53.03942	1.0
55.01863	2.3
61.28896	0.6
70.81197	1.4
70.81558	1.1
77.03913	0.7
79.05487	8.8
79.13322	0.6
81.07063	0.7
91.05473	2.1
93.03426	0.7
94.04207	1.5
95.04960	1.7
100.21028	0.6
103.05452	5.3
105.07021	78.0
106.07351	1.4
107.04932	0.7
109.06502	2.6
115.05453	0.8
119.08508	0.7
121.06493	1.3
122.03642	3.7
124.05202	2.1
131.04893	1.4
132.05699	0.8
133.06480	93.3
134.06815	1.5
137.05965	69.8
138.06396	1.1
145.10115	1.7
147.08041	1.1
149.06000	2.2
150.06731	1.9
151.07518	5.5
160.04288	0.7
164.01672	0.6
164.08319	18.2
165.09099	100.0
166.09441	2.0
173.09607	1.3
179.10645	13.6
205.12286	3.9
209.82565	0.7
296.35846	0.7
325.17902	1.0
328.91055	0.7
343.18832	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	343.19
Annotation	(5R)-7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-1-phenylheptan-3-one
Peak:m/z	Relative Intensity
55.01844	2.5
67.05471	2.6
69.07050	1.7
70.02850	4.4
70.03260	1.6
73.06521	1.8
79.05480	7.8
81.07034	2.4
89.44729	1.3
91.05457	5.3
93.07006	1.9
95.04942	1.8
95.08553	2.3
103.05443	6.7
105.07023	58.3
106.07352	1.2
107.04953	1.8
109.06554	2.1
115.30961	1.3
117.06982	1.4
119.08628	1.6
121.06419	2.7
122.03641	1.7
123.04407	1.6
128.06206	1.2
131.04944	1.8
131.08514	2.2
133.06477	62.0
134.06750	1.2
135.07971	1.2
135.11589	1.4
136.05191	1.3
137.05960	52.3
137.09575	1.4
145.06429	2.6
145.10110	3.0
146.07246	1.8
147.04388	1.7
147.08093	1.6
149.05911	2.8
150.06732	4.6
151.03860	1.9
151.07541	16.0
153.06985	1.2
159.08080	1.7
161.05981	2.7
163.07489	2.6
164.08327	12.5
165.09093	100.0
166.09438	3.6
174.06721	1.6
174.49741	1.1
177.09099	4.7
179.10602	9.1
181.08556	6.8
185.09593	1.8
187.07567	1.6
189.05472	1.9
189.09019	2.6
191.03354	6.6
191.07156	1.3
191.10559	1.8
199.07420	1.7
204.07805	7.7
205.08543	4.8
205.12201	4.5
211.07487	1.4
213.09065	2.4
214.09897	4.7
215.10631	2.3
217.08615	1.4
219.10205	2.0
223.11325	1.5
225.09058	1.9
230.09296	2.0
239.10751	2.0
240.11461	2.1
243.10191	1.4
245.11719	20.5
246.12036	1.6
261.11337	1.5
271.13300	6.9
283.16776	1.6
293.15353	1.8
311.16214	3.0
320.21475	1.3
325.14328	3.0
338.22571	1.4
343.07956	2.3
343.15250	3.1
343.18781	3.8
343.22531	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.05500	1.8
57.03410	1.7
59.84477	1.5
61.45625	1.3
67.05482	5.3
69.03411	2.5
69.07030	2.3
69.77298	5.1
69.77728	5.0
73.06567	2.3
76.11720	1.4
79.05474	9.8
81.07045	5.6
82.29764	1.5
85.06518	1.6
91.05450	13.6
93.07024	8.1
95.04948	5.8
95.08582	5.0
98.21490	2.7
103.05446	7.4
105.06313	1.8
105.07018	36.3
107.04919	7.7
107.08560	4.1
108.05692	2.5
109.06499	4.2
115.05444	4.1
116.06256	2.3
117.07013	9.8
119.04969	2.1
119.08548	4.0
119.20328	1.5
121.06490	100.0
121.10102	2.8
123.04395	1.6
123.08041	3.2
125.86811	1.4
128.06190	2.5
129.06950	4.9
130.07730	2.7
131.04922	5.8
131.08563	3.6
132.05676	2.1
132.48624	1.5
133.02855	1.4
133.06474	27.6
134.07291	2.0
135.04414	5.0
135.08031	6.0
136.05180	4.5
137.05951	16.2
137.09583	2.7
139.07507	3.9
143.04898	2.5
144.05685	2.5
145.06480	5.1
145.10112	13.5
146.07256	10.2
147.07996	5.3
149.05960	3.2
149.09602	52.6
150.06731	6.6
151.03888	4.7
151.07520	44.8
152.07869	1.9
157.06526	2.2
157.10153	2.0
158.07242	10.6
159.04372	2.2
159.08043	3.2
160.08798	2.4
161.06006	3.1
161.09598	3.1
162.06700	3.0
163.07503	5.6
163.11166	3.7
164.08293	3.6
165.05432	6.3
165.09103	88.7
165.85095	1.4
166.09450	2.7
167.07002	3.5
172.08827	1.7
173.09610	3.0
174.06775	10.9
175.07564	8.3
177.09055	18.9
177.12697	3.6
178.09897	1.7
179.08487	2.3
179.10678	5.2
180.07803	11.6
181.08620	2.4
182.07361	1.8
188.08340	1.9
189.09105	17.3
190.09868	5.7
191.03389	3.6
191.07007	2.5
191.10635	3.6
195.08015	4.5
195.10086	5.1
196.08812	1.8
198.10417	1.5
201.09055	2.3
202.09775	2.4
203.10655	2.4
204.07632	1.7
205.06750	2.3
205.08565	13.4
205.12260	2.6
207.10109	3.1
208.08760	3.0
209.09619	4.4
210.10364	2.1
211.07591	2.5
211.11133	2.2
215.10628	3.7
217.08572	3.5
219.10164	2.3
221.09630	3.3
221.11674	29.4
222.10367	3.1
222.12410	7.3
223.11160	5.3
224.08371	1.6
224.11679	1.8
225.09157	4.6
226.09773	2.6
227.10556	2.4
228.11478	1.5
237.08987	3.5
237.12654	1.8
238.09859	2.2
239.06905	1.5
239.10741	8.9
240.11459	3.9
240.23199	2.6
241.08559	2.6
241.12166	5.6
247.11160	2.1
251.10559	3.2
251.14070	1.6
252.15166	2.2
253.12163	1.9
254.12903	4.3
255.10075	2.8
255.13689	4.8
261.12488	1.5
262.13516	2.7
263.10605	2.9
267.10339	3.1
268.10785	1.7
269.08124	1.6
269.11856	2.9
269.15311	4.7
271.13358	3.3
278.13058	1.9
279.10162	4.3
279.13535	1.8
282.12503	3.9
283.16840	15.1
286.11777	1.8
293.15274	7.0
294.12448	6.3
296.13870	2.2
297.11154	2.9
309.11237	1.4
311.16348	15.4
313.14328	3.6
317.73096	1.5
317.86490	1.6
325.14252	9.1
325.18048	6.8
343.08151	2.4
343.15234	10.8
343.18866	6.8
343.22696	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2265
Annotation	Sargachromanol A
Peak:m/z	Relative Intensity
53.03939	6.3
55.01855	5.5
55.05501	18.2
57.03421	10.3
57.07053	10.1
59.04979	4.9
65.03911	4.2
67.05502	28.2
69.03433	11.8
69.07047	9.2
70.03062	10.8
70.82362	2.2
71.04978	20.3
79.05484	28.2
81.03409	3.2
81.07043	31.8
83.04971	5.6
83.08591	3.0
85.06525	6.3
91.05468	35.7
93.07034	76.0
95.04956	61.8
95.08599	76.0
97.06519	14.6
98.20816	2.5
103.05432	10.3
105.07018	100.0
106.07365	2.3
107.04958	12.8
107.08574	56.2
109.06507	20.2
109.10191	5.0
111.04411	2.5
115.05422	7.0
117.06997	28.3
119.04900	3.5
119.08558	33.2
121.06482	18.5
121.10143	20.7
122.03671	3.1
123.08069	29.6
123.11716	2.7
124.05172	6.3
125.05904	4.3
128.06223	5.6
129.06993	9.5
130.07768	14.8
131.04919	5.0
131.08565	12.9
133.06476	28.1
133.10092	16.5
135.04384	8.0
135.08041	29.2
135.11671	18.1
137.05960	36.9
137.09610	5.6
143.08508	15.1
144.09218	2.6
145.06450	6.7
145.10101	88.6
146.07225	4.7
147.04401	6.5
147.08006	14.6
147.11600	5.2
149.02286	3.6
149.05992	5.5
149.09590	8.4
150.06752	5.0
151.03908	3.7
151.07532	77.0
152.07835	2.5
153.05516	5.1
153.09067	4.0
155.08464	3.8
156.09294	3.0
157.06360	3.0
157.10133	11.8
159.08084	8.6
159.11646	10.7
161.05986	7.0
161.09598	9.6
161.13239	4.5
161.16469	2.4
162.06770	2.5
163.07516	9.1
163.11163	64.3
164.08318	7.8
164.11475	2.4
165.05478	4.6
165.06984	3.3
165.09093	69.6
167.07014	3.8
169.10060	4.2
171.07997	4.1
171.11717	6.9
172.08780	3.0
173.09608	9.9
173.13210	4.9
175.07492	4.6
175.11070	5.6
177.09129	17.9
179.07030	5.3
179.10609	10.7
181.10059	3.8
181.12201	4.6
183.11761	4.0
185.09596	4.5
185.13222	2.4
187.11160	7.8
189.09090	10.5
189.12730	10.1
191.10634	3.6
191.14217	4.0
195.11734	3.4
197.13264	5.6
199.11177	3.4
203.10701	5.3
203.14285	9.9
205.08615	11.5
207.10059	3.6
207.13702	4.1
209.09634	3.9
209.15320	5.4
211.07407	3.4
215.14374	2.6
219.10201	7.4
221.15326	32.8
225.09042	3.1
233.15327	3.1
240.23227	8.1
241.15782	3.0
259.16766	6.7
263.16425	7.5
269.15405	6.1
273.18210	9.7
282.12320	2.6
283.13354	4.1
285.18433	2.8
286.11884	3.9
286.19208	5.3
287.16333	3.3
293.11841	2.5
294.12497	2.7
297.11316	3.0
311.12781	3.1
325.14462	5.1
325.18118	3.4
325.21378	12.7
343.11676	5.4
343.15610	17.0
343.19489	3.4
343.22598	86.3
344.22833	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	343.2267
Annotation	Sargachromanol A
Peak:m/z	Relative Intensity
53.03941	3.6
55.01857	5.6
55.05510	14.4
57.03421	6.8
57.07060	7.0
59.04988	4.3
65.03931	3.5
67.05496	22.1
69.03417	8.2
69.07053	6.1
70.70225	6.5
71.04984	15.2
79.05481	26.0
81.03413	4.9
81.07055	25.5
83.04969	7.2
83.08614	3.2
85.02866	2.1
85.06538	4.6
87.04478	3.9
89.26578	2.2
91.05476	32.2
93.07037	61.1
94.07352	2.3
95.04966	45.7
95.08601	60.0
97.06557	9.9
103.05447	12.4
105.07026	100.0
106.07327	3.3
107.04952	12.4
107.08586	39.1
109.06497	12.3
109.10141	4.7
115.05437	7.7
117.07030	24.0
119.04887	3.2
119.08575	22.7
121.06491	17.2
121.10147	15.2
122.03641	2.3
123.04414	2.7
123.08057	23.8
125.06006	3.6
125.09625	3.2
128.06207	3.2
129.07024	4.5
130.07832	12.2
131.04926	5.1
131.08566	11.4
133.06480	46.3
133.10149	9.9
135.04453	4.5
135.05699	2.2
135.08046	20.5
135.11678	11.4
136.05173	3.2
137.05969	49.8
137.09575	4.7
141.07016	2.2
142.07761	4.2
143.08528	8.4
145.06454	5.3
145.10121	65.0
146.07234	5.9
147.08052	12.2
147.11656	5.4
149.05928	5.3
149.09584	7.3
150.06734	6.8
151.03883	8.3
151.07530	74.8
151.11214	2.1
152.07837	2.5
153.09081	2.5
155.08556	2.9
156.09198	2.2
157.10092	6.9
158.07207	2.3
159.07985	4.7
159.11661	3.2
161.05949	8.7
161.09576	7.5
161.13190	2.8
163.07565	9.3
163.11174	52.9
164.08356	10.7
165.05455	3.7
165.09111	83.8
165.10513	4.4
167.07048	2.7
167.08498	2.0
169.10168	3.6
171.11671	4.8
173.09619	8.4
173.13319	4.2
175.07571	5.0
175.11101	5.7
177.09053	9.5
179.07051	10.5
179.08377	1.9
179.10677	7.7
179.14230	2.2
181.10182	4.0
183.07916	2.3
183.11665	2.8
185.09592	3.1
187.07382	2.8
187.11133	4.8
187.14978	2.6
189.09036	7.4
189.12753	7.9
191.10672	3.2
192.44473	2.5
193.10060	2.7
197.13492	1.9
199.14830	2.3
203.14308	9.0
205.08592	14.4
205.12230	4.1
207.13754	4.8
209.15260	3.7
215.10648	3.9
219.10156	6.7
221.15343	21.4
233.15396	4.6
234.50488	1.9
239.10684	2.3
240.23170	4.4
241.15837	2.5
243.13951	2.3
259.17453	2.2
263.16376	5.3
271.09415	2.4
283.13458	2.6
283.16727	3.3
283.59323	2.0
294.12317	3.2
297.11142	4.5
311.12637	2.7
311.15921	2.5
313.14465	3.1
325.14270	8.5
325.18008	2.3
325.21555	9.8
343.11621	3.9
343.15686	17.2
343.18869	3.3
343.22644	58.1
344.22955	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	343.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01857	5.6
55.05510	14.4
57.03421	6.8
57.07060	7.0
59.04988	4.3
65.03931	3.5
67.05496	22.1
69.03417	8.2
69.07053	6.1
70.70225	6.5
71.04984	15.2
79.05481	26.0
81.03413	4.9
81.07055	25.5
83.04969	7.2
83.08614	3.2
85.02866	2.1
85.06538	4.6
87.04478	3.9
89.26578	2.2
91.05476	32.2
93.07037	61.1
94.07352	2.3
95.04966	45.7
95.08601	60.0
97.06557	9.9
103.05447	12.4
105.07026	100.0
106.07327	3.3
107.04952	12.4
107.08586	39.1
109.06497	12.3
109.10141	4.7
115.05437	7.7
117.07030	24.0
119.04887	3.2
119.08575	22.7
121.06491	17.2
121.10147	15.2
122.03641	2.3
123.04414	2.7
123.08057	23.8
125.06006	3.6
125.09625	3.2
128.06207	3.2
129.07024	4.5
130.07832	12.2
131.04926	5.1
131.08566	11.4
133.06480	46.3
133.10149	9.9
135.04453	4.5
135.05699	2.2
135.08046	20.5
135.11678	11.4
136.05173	3.2
137.05969	49.8
137.09575	4.7
141.07016	2.2
142.07761	4.2
143.08528	8.4
145.06454	5.3
145.10121	65.0
146.07234	5.9
147.08052	12.2
147.11656	5.4
149.05928	5.3
149.09584	7.3
150.06734	6.8
151.03883	8.3
151.07530	74.8
151.11214	2.1
152.07837	2.5
153.09081	2.5
155.08556	2.9
156.09198	2.2
157.10092	6.9
158.07207	2.3
159.07985	4.7
159.11661	3.2
161.05949	8.7
161.09576	7.5
161.13190	2.8
163.07565	9.3
163.11174	52.9
164.08356	10.7
165.05455	3.7
165.09111	83.8
165.10513	4.4
167.07048	2.7
167.08498	2.0
169.10168	3.6
171.11671	4.8
173.09619	8.4
173.13319	4.2
175.07571	5.0
175.11101	5.7
177.09053	9.5
179.07051	10.5
179.08377	1.9
179.10677	7.7
179.14230	2.2
181.10182	4.0
183.07916	2.3
183.11665	2.8
185.09592	3.1
187.07382	2.8
187.11133	4.8
187.14978	2.6
189.09036	7.4
189.12753	7.9
191.10672	3.2
192.44473	2.5
193.10060	2.7
197.13492	1.9
199.14830	2.3
203.14308	9.0
205.08592	14.4
205.12230	4.1
207.13754	4.8
209.15260	3.7
215.10648	3.9
219.10156	6.7
221.15343	21.4
233.15396	4.6
234.50488	1.9
239.10684	2.3
240.23170	4.4
241.15837	2.5
243.13951	2.3
259.17453	2.2
263.16376	5.3
271.09415	2.4
283.13458	2.6
283.16727	3.3
283.59323	2.0
294.12317	3.2
297.11142	4.5
311.12637	2.7
311.15921	2.5
313.14465	3.1
325.14270	8.5
325.18008	2.3
325.21555	9.8
343.11621	3.9
343.15686	17.2
343.18869	3.3
343.22644	58.1
344.22955	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	344.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36924	0.5
50.69302	0.4
53.03941	1.1
55.01859	0.9
56.96545	0.5
57.03422	2.0
61.02926	3.6
69.03422	8.8
69.07076	0.5
69.93338	2.2
70.06579	2.0
71.04976	1.3
73.02903	1.2
73.25362	0.5
79.05471	0.7
81.03407	4.5
83.06083	0.5
83.60933	0.4
84.04482	0.8
84.08109	0.6
85.02895	24.2
86.03245	0.5
86.09689	1.5
87.04446	1.3
91.03928	1.3
91.05473	2.1
95.04953	0.4
97.02876	9.0
99.04423	1.3
103.03896	0.4
106.02886	0.8
109.02843	3.4
119.04933	3.2
120.04448	4.2
123.04386	1.6
124.03938	1.0
127.03893	6.3
131.04942	0.6
135.04364	0.5
136.02167	0.5
136.07623	0.7
137.05948	1.3
141.50046	0.4
145.04935	5.0
147.03215	1.0
147.04391	19.9
151.03932	0.6
162.05434	0.8
163.03854	2.0
164.01628	100.0
164.07019	1.1
165.01996	2.8
165.05457	10.8
180.08615	0.4
182.02681	85.3
182.11635	0.6
183.02995	2.7
188.03677	0.6
191.06955	0.5
203.03378	0.4
225.15356	0.5
228.73607	0.5
233.55052	0.4
255.03122	0.9
256.55148	0.5
268.07928	0.5
287.05283	0.5
289.03937	0.5
300.02692	0.5
315.04944	4.4
330.07242	1.4
344.07809	1.4
344.13760	1.4
345.09711	6.0
345.14420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
54.78120	0.6
55.01855	0.7
57.03408	1.3
58.32129	0.6
61.02916	1.2
69.03410	2.8
69.07030	0.6
70.06587	0.7
71.04472	0.8
71.04819	1.3
73.02886	1.0
81.03399	1.8
85.02898	18.1
86.42873	0.7
91.03925	0.7
91.05464	6.4
95.04973	1.0
97.02869	4.9
99.04456	0.6
107.04964	0.8
109.02869	2.5
119.04926	21.5
123.04422	4.0
127.03896	3.0
137.05991	1.1
139.03845	0.9
143.70988	0.7
145.04955	3.7
147.04388	100.0
148.04752	2.2
164.07060	0.8
165.05457	53.2
166.05772	0.8
180.08696	0.9
181.17352	0.7
182.08110	1.6
192.06425	1.0
192.40497	0.7
205.47482	0.6
255.02895	0.8
262.10999	0.8
308.22168	0.7
313.07568	0.8
313.10934	0.8
315.04932	5.9
330.07236	1.8
344.14474	2.3
345.09601	6.1
345.13120	1.0
355.56491	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52831	1.9
57.07064	1.8
59.07192	1.8
67.05493	2.3
70.89060	4.6
79.05486	2.8
81.07060	2.3
84.07930	2.0
87.04427	3.4
89.31742	1.7
91.05447	7.4
93.07012	2.1
95.04935	3.4
96.67477	1.6
103.05437	4.5
105.07005	7.9
106.07363	2.8
107.04958	10.2
108.05733	2.3
109.06497	3.3
115.05441	5.5
117.06990	8.8
120.70216	1.6
121.06501	16.6
122.06818	3.8
129.91151	2.0
131.04913	8.3
132.05661	3.0
133.06454	7.1
134.06802	3.2
135.04428	3.7
136.05141	4.2
137.05971	13.9
139.07527	5.1
144.05714	2.1
145.06471	49.3
145.10014	2.3
146.07224	3.7
147.08020	7.9
149.09592	2.6
150.06750	2.3
150.09917	3.3
151.07533	83.5
152.04266	2.0
152.07870	10.6
153.01868	2.3
155.06003	2.7
160.05159	11.7
161.05956	6.4
163.03877	2.3
163.07579	3.1
164.08052	1.8
165.05405	2.9
165.06967	1.8
165.09090	15.6
165.92162	1.8
166.09416	10.5
167.07010	7.5
173.05937	2.9
174.06712	4.3
175.07527	34.8
176.08177	4.3
177.09135	12.0
178.06224	5.6
178.09409	3.8
188.08298	4.6
189.09081	6.4
190.07539	1.7
190.09596	2.5
191.06976	3.7
191.08551	2.7
195.08020	1.9
206.09311	8.6
208.08760	2.5
209.09535	4.3
211.07462	2.1
216.04178	4.4
218.07239	2.1
219.07959	3.4
220.08694	2.2
221.09654	10.0
221.11559	3.1
222.10252	3.0
223.07558	3.7
224.08255	2.5
225.09077	6.1
227.03539	2.0
231.06401	2.0
232.08723	2.5
233.09668	4.2
235.07481	4.0
235.10857	2.0
236.08339	4.6
237.09109	20.7
238.09741	5.5
239.10646	8.3
240.26895	1.9
241.05022	2.8
244.03618	3.6
248.08267	6.1
249.09091	16.6
250.09615	2.7
250.34297	1.8
251.10606	13.5
252.11444	24.2
253.08585	8.7
253.11938	2.0
254.09268	4.2
255.02942	12.8
255.10095	3.7
259.05972	3.7
263.10687	11.6
264.11398	30.1
265.08539	8.0
265.11816	3.1
266.09079	2.3
267.10129	20.6
268.10855	15.5
269.04495	2.4
269.11761	6.0
279.10217	5.5
280.10919	23.8
281.11649	3.7
282.12482	24.9
283.02560	2.4
283.09976	3.1
283.13196	32.5
284.10245	4.0
284.13547	3.4
284.17026	2.2
287.05539	11.8
287.12650	2.8
294.12521	3.5
295.13235	91.8
296.10458	4.2
296.13574	2.5
297.03854	3.8
297.11172	2.4
298.11880	5.5
299.12552	6.6
300.02640	6.3
311.12723	41.2
311.16214	2.8
312.13025	2.8
313.14294	100.0
314.14664	6.1
315.04950	69.3
325.14349	5.0
326.15057	59.3
327.15445	2.3
329.13748	20.9
330.07224	20.9
343.15256	2.8
344.16116	85.8
344.22794	4.0
344.31757	2.7
345.09656	97.6
345.16467	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	345.0086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28701	0.6
56.96545	1.7
63.08603	0.6
66.08230	0.6
70.23214	2.0
79.68794	0.6
81.05183	0.5
95.96480	0.5
97.39520	0.6
98.97572	3.3
101.00845	1.8
116.98586	2.7
119.01908	7.6
120.01951	0.8
126.10822	0.6
134.99634	2.0
137.02910	2.3
142.03477	0.9
154.20345	0.6
177.00931	9.2
178.00958	0.8
182.99886	1.5
201.00917	5.9
219.01982	100.0
220.02069	9.7
221.02324	0.7
234.99965	0.7
238.95413	1.1
242.03610	5.9
243.01715	0.8
253.43658	0.6
255.02083	1.2
256.96622	15.4
257.96649	1.3
258.96255	1.0
259.00085	1.7
261.03064	1.9
262.95572	0.7
274.97632	4.7
275.97696	1.1
277.01038	1.3
278.01059	0.8
279.98221	2.0
280.96652	1.9
282.99884	3.0
284.99463	1.0
290.95416	1.0
298.97644	38.6
299.97876	3.8
301.01044	5.8
302.01099	1.9
303.00650	0.7
307.92905	1.2
308.42981	1.3
314.80087	0.7
314.95587	0.8
315.04974	1.9
316.93204	3.8
317.43384	2.2
317.93277	2.1
319.43536	3.8
319.93860	1.4
320.43976	1.1
321.99203	4.5
325.93964	1.5
326.43945	1.1
327.95578	0.9
328.44214	7.4
328.94229	5.4
329.44220	2.7
339.95319	0.8
345.09674	3.4
357.96820	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93599	1.4
53.03931	1.6
55.01855	1.4
56.96548	5.6
57.03411	3.0
61.02896	3.3
61.48853	1.4
62.52808	1.5
69.03417	10.7
70.06583	3.4
71.04953	2.6
71.52585	2.7
73.02925	2.6
76.83550	1.4
81.03407	3.0
83.04974	2.6
83.84465	1.6
85.02895	15.9
86.09697	1.7
89.03883	1.9
91.03946	1.4
91.05453	2.8
97.02875	6.4
98.97549	6.1
99.04436	1.8
100.09647	1.8
103.05424	2.0
107.04943	1.7
111.04414	1.7
116.98609	3.7
119.01862	6.7
119.04922	2.0
121.01604	1.6
123.04385	3.1
127.03907	6.8
127.71368	1.4
128.98619	2.1
131.01898	3.2
134.99695	2.5
135.04373	4.5
136.07567	2.8
137.05972	17.0
143.00172	1.6
145.03433	2.4
145.04941	3.4
147.04372	4.2
148.03941	3.7
149.05949	3.3
153.01776	3.9
161.01178	4.5
161.02884	2.7
163.03870	17.9
165.05579	3.1
166.04974	10.2
167.06975	2.7
170.99640	1.7
171.04961	2.7
173.02933	2.6
175.00908	1.7
175.02716	1.5
178.06238	5.6
183.07590	5.0
184.09589	1.8
185.02911	3.3
188.34642	1.5
189.02382	2.3
197.02994	1.9
211.04221	1.7
213.07979	1.9
216.04179	2.3
219.01796	4.7
237.02835	3.3
241.05055	1.5
244.03624	2.9
245.05043	2.8
255.02882	12.8
255.06573	2.4
259.06107	5.4
265.08136	2.8
269.04501	3.2
277.09479	1.5
283.02350	2.4
283.09650	2.0
285.04877	1.5
285.07938	1.7
287.05542	6.5
297.03943	3.4
299.05627	2.0
300.02585	5.3
313.10754	1.5
315.04956	53.0
315.08603	3.1
316.05188	2.2
330.07303	17.3
345.06531	4.2
345.09604	100.0
345.12805	4.4
346.09851	5.4
346.14700	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	345.0967
Annotation	Dalspinosin
Peak:m/z	Relative Intensity
51.02393	0.7
53.57660	0.6
55.01868	0.9
57.92477	0.6
65.03914	1.4
69.50576	3.4
69.50999	2.1
79.05468	1.4
81.07037	0.8
91.05489	2.0
93.07030	0.8
95.08577	0.6
96.02109	1.2
103.05477	4.5
105.07030	0.8
107.04943	2.7
109.02852	0.7
109.10107	0.8
111.04411	5.1
115.05445	1.6
116.24036	0.7
117.06968	1.5
119.04953	0.9
119.08529	0.9
121.06471	1.0
123.04432	0.7
128.06230	0.7
129.07005	0.7
131.04924	3.6
133.06473	0.9
135.08052	0.9
135.65034	0.7
137.05971	8.3
139.03914	2.9
143.08546	1.6
145.06447	2.2
147.04390	0.8
147.08066	1.0
148.05136	0.6
149.06004	0.7
151.03937	0.7
151.07530	3.7
153.01799	2.6
153.06970	1.5
157.06465	1.4
159.08022	1.1
159.90167	0.6
160.08907	0.7
161.05925	1.5
161.09654	1.3
163.03865	2.0
163.07544	4.8
165.06999	1.2
165.09093	1.5
167.03532	1.0
167.07079	1.6
167.08505	1.1
168.05756	0.9
169.06465	0.7
171.08049	1.4
174.56303	0.7
175.07524	6.4
177.09111	1.5
178.06241	6.0
178.07687	1.3
179.03423	1.6
179.08521	1.9
181.06433	1.7
182.07265	0.9
185.05911	1.4
185.09729	0.8
187.07510	0.8
188.08345	3.0
190.82108	0.6
191.06970	2.5
191.08580	1.0
193.10156	0.7
195.08075	2.0
195.10023	0.8
197.05983	1.4
197.09784	0.7
198.06696	2.6
198.16093	0.7
199.07504	1.0
200.04562	0.7
203.10696	3.7
205.06512	0.7
207.08032	1.7
208.08760	0.7
209.05893	1.5
210.06761	1.4
211.07574	1.8
212.08243	0.7
213.05441	2.3
213.09058	1.1
216.04169	4.8
217.04900	2.3
220.08377	0.7
221.11661	0.9
223.07497	1.7
224.08289	2.3
225.05554	0.9
225.09117	0.9
226.06244	1.3
227.03389	2.2
227.07036	1.1
228.04114	1.2
228.07637	1.1
231.03003	1.1
231.06531	3.0
235.07503	2.0
237.05295	0.9
238.06187	0.7
238.09940	1.9
239.07033	3.8
239.10600	3.1
240.07870	2.4
241.05006	3.6
241.08537	2.1
243.06525	4.5
244.03662	4.0
249.09201	1.0
251.06976	0.7
252.07794	1.9
253.08531	3.6
253.12399	0.7
255.02861	15.4
255.06503	1.5
256.07309	3.1
258.08868	0.8
259.05978	3.1
266.09332	0.9
267.07324	1.0
267.10144	7.2
268.07288	5.2
269.04614	4.9
269.07953	5.1
271.09647	1.7
271.13269	1.5
272.03131	1.8
281.08054	1.0
281.11517	1.0
283.02377	2.7
283.05780	1.2
283.09448	0.9
284.03195	1.0
284.06787	2.2
284.10364	3.1
286.08337	1.3
287.02625	1.1
287.05511	13.4
287.08707	0.5
295.09595	2.0
296.10400	2.7
297.00797	0.9
297.03790	3.6
299.05750	1.2
299.09125	19.4
299.12698	4.3
300.02557	6.1
312.06223	1.6
313.07028	1.6
313.10739	5.9
315.04953	66.0
316.05292	2.1
327.12253	13.6
327.15997	1.2
329.06534	1.9
330.07300	19.8
345.09653	100.0
345.13293	9.4
346.10001	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.133
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
53.03954	1.2
55.01873	2.9
63.82230	1.2
67.05514	2.3
69.03407	1.5
69.23331	12.2
72.08064	1.4
79.05482	3.1
81.03381	2.5
81.07056	3.1
82.52176	1.1
85.02893	1.8
91.05473	4.7
93.07057	3.0
95.04977	2.7
95.08597	1.9
97.81870	1.2
103.05491	1.8
105.07037	2.3
107.04938	4.9
109.02959	1.5
109.06512	2.0
109.10128	2.0
111.04439	2.5
115.05445	2.7
115.23572	1.2
119.04946	2.6
119.08548	1.8
120.40365	1.3
121.06521	6.2
122.03641	1.7
123.04468	2.6
125.06001	2.4
127.03875	1.4
131.04924	4.8
134.03659	2.0
135.04341	1.9
137.02371	1.3
137.05969	30.5
143.04933	1.9
145.06534	1.5
146.03587	2.8
147.04367	1.5
149.05966	9.1
151.03923	1.4
151.07538	3.8
152.06160	1.8
153.05415	5.2
153.06770	1.3
160.05173	2.3
161.05972	41.8
163.07491	2.2
165.06953	18.8
167.07019	6.6
167.08560	3.8
175.07553	6.1
177.05516	2.3
177.16336	1.4
178.06308	1.8
178.07787	2.6
179.07047	3.2
179.08551	4.6
181.04944	2.4
181.06476	4.2
182.07222	9.6
183.08058	2.3
183.10263	1.2
188.04680	6.6
189.07031	1.3
191.07057	8.5
193.06487	18.0
194.07210	3.2
195.08022	2.7
196.08890	2.3
197.09634	5.0
203.07010	18.8
205.08481	2.9
206.07062	1.6
207.08029	6.2
209.06071	1.7
210.06790	17.2
211.07462	4.5
212.08215	1.2
221.06018	24.2
221.08165	3.5
222.06720	2.1
223.07538	3.6
224.08319	7.4
225.05609	1.9
225.09084	30.8
227.06972	4.2
234.06795	2.0
235.07509	5.9
236.07948	1.5
237.05635	1.6
238.06233	13.9
239.06972	4.7
239.10658	4.6
241.08574	1.8
242.09325	3.1
244.03766	1.7
249.09041	2.9
251.07042	3.8
252.07811	7.1
253.08582	56.5
254.09128	2.9
255.02953	3.6
255.06499	5.8
262.06381	1.7
263.07089	1.9
267.10165	21.4
269.07980	2.7
270.08768	5.9
277.08508	9.0
280.07352	2.4
285.11185	100.0
286.11514	3.5
287.05450	3.1
294.08768	2.7
295.09576	11.1
299.09067	2.0
299.12610	3.3
309.11169	15.0
311.08655	1.4
313.10681	7.2
315.04907	16.1
327.12262	79.3
328.12463	2.8
330.07339	4.1
345.06015	5.1
345.09650	25.6
345.13397	13.9
345.17480	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1328
Annotation	Carpinontriol B
Peak:m/z	Relative Intensity
53.03949	1.5
55.01851	3.6
62.09777	1.4
65.03926	3.7
67.05457	1.9
69.07091	1.4
70.55154	1.7
70.55495	3.1
79.05474	3.4
81.06998	1.7
85.02901	1.9
91.05466	4.2
95.04945	2.4
103.05425	3.0
105.06978	2.2
107.04930	8.5
111.04411	3.4
115.05413	3.8
117.07006	3.0
118.04105	1.4
119.04890	2.1
121.02857	10.2
121.06494	2.7
123.04409	2.0
125.05982	1.4
128.06169	1.9
129.06998	2.0
131.04935	7.9
131.08658	1.4
137.05962	8.1
139.03857	1.4
141.06985	2.1
145.06468	8.1
147.04362	4.2
151.03821	1.5
151.07492	4.7
152.06145	3.4
153.05409	2.7
153.06956	5.2
155.08507	2.6
161.05965	3.9
163.07504	6.3
165.06961	14.6
166.07713	1.8
167.07031	4.9
167.08560	4.9
168.05670	3.0
169.06502	3.8
173.05940	2.7
174.06696	3.5
177.09093	15.7
178.06363	1.8
178.07698	8.0
179.08534	5.3
181.04919	16.1
181.06450	8.1
182.07230	5.9
183.08026	9.8
185.09584	1.9
191.03387	2.0
191.06972	2.9
192.05643	1.4
193.06496	2.4
193.10135	2.1
194.07239	3.5
195.08040	5.9
196.05150	3.1
196.08701	4.0
197.05977	8.9
198.06712	9.5
199.07437	2.5
200.04385	1.8
202.07747	2.5
203.08554	2.6
206.07204	4.9
207.08008	10.7
209.05943	3.5
209.09567	3.0
210.06712	9.3
211.07497	21.3
211.11096	1.9
212.08150	1.8
213.05434	3.4
213.09067	3.5
221.06013	2.3
221.09682	7.2
223.07497	9.8
224.08292	8.8
225.05322	2.0
225.09018	5.5
226.06239	13.8
227.06960	4.4
228.04210	2.9
234.06790	2.2
235.07561	7.6
237.05504	2.8
237.09093	2.7
238.06180	6.2
238.09808	2.8
239.07007	43.8
239.10609	20.1
240.07707	5.0
240.10977	1.4
241.04918	4.7
241.08603	7.5
242.09145	1.5
243.06483	7.4
249.05331	1.8
249.08955	3.4
251.06918	6.1
252.07835	6.7
253.08578	4.5
254.05681	2.4
255.02673	3.6
255.06482	14.9
256.07193	6.7
266.09384	2.0
267.06705	8.8
267.10046	14.9
268.07141	2.8
269.05426	1.9
269.08035	12.0
270.08722	1.6
271.05988	2.6
271.09512	4.0
271.12808	1.7
283.05969	8.5
283.09207	2.4
284.06696	6.4
284.10333	4.0
285.11130	16.6
286.08325	18.2
295.09531	6.8
296.10358	2.1
297.07495	2.0
299.09070	100.0
299.12701	55.0
300.09479	3.3
300.12961	1.9
312.09760	2.2
313.10654	65.3
314.11264	3.1
315.05084	9.8
317.13684	9.9
327.08377	2.9
327.12222	54.3
328.12582	1.9
330.07605	1.5
345.09531	11.9
345.13266	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.133
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
50.77820	1.4
55.01870	1.6
56.03230	1.2
65.03925	6.4
68.79637	1.3
70.67958	3.2
81.03407	1.5
83.04983	1.8
85.02862	2.0
91.05489	2.8
93.03398	2.4
95.04944	2.4
96.02097	6.5
107.01274	2.5
111.04424	29.4
121.06469	1.6
128.06207	1.7
129.06990	3.7
137.02333	1.9
137.05975	4.1
139.03883	18.6
141.06995	2.5
143.08391	1.5
144.05643	2.0
145.06480	5.5
146.07277	1.3
151.03897	1.6
152.06155	2.2
153.05417	2.5
153.06956	4.0
155.04863	3.2
155.08507	2.8
157.06488	4.9
159.08025	5.6
160.08824	6.7
161.05960	6.3
161.09569	2.8
165.06960	5.3
167.03323	5.4
167.08464	3.4
168.05708	6.4
169.06487	4.9
171.08064	1.6
173.06039	1.7
178.07744	5.1
178.49600	1.4
179.08516	7.0
181.06447	7.2
182.07172	3.0
183.04388	2.2
183.08032	5.9
184.05270	2.5
184.08691	1.9
185.05943	6.6
185.09642	3.4
187.07503	4.8
188.08322	9.2
189.09033	2.8
190.73430	1.5
195.08063	6.3
196.05211	4.8
196.08823	5.3
197.05977	4.9
197.09608	3.6
198.06734	20.5
199.07524	3.4
200.08250	1.7
205.06535	2.1
206.07214	2.7
207.08096	7.9
208.08702	2.6
209.05933	6.0
209.09579	1.6
210.06750	4.1
211.07542	10.8
211.11073	3.7
212.08324	2.0
213.05507	8.0
213.09113	4.9
215.06898	1.6
219.08017	1.4
221.09558	4.3
223.07439	6.8
224.04668	3.2
224.08311	6.0
225.05464	4.7
225.09071	3.9
226.06239	10.2
227.07018	6.1
227.10713	1.6
228.07777	6.0
228.11270	1.6
234.06699	2.0
235.07524	5.4
236.08324	2.7
237.05434	2.3
237.09096	3.0
238.06094	2.7
238.09816	10.3
239.07057	21.6
239.10637	17.9
240.07758	12.2
241.04851	8.8
241.08508	15.2
243.06453	15.2
243.10226	1.9
249.09172	3.5
251.07060	5.6
252.04204	2.4
252.07690	4.4
253.05064	2.3
253.08551	9.7
253.12241	6.5
254.05841	1.8
255.06529	3.5
256.07285	17.1
256.10876	2.6
257.08157	3.4
258.08853	3.0
266.09448	2.4
267.06573	4.4
267.10132	33.7
268.07285	26.2
268.10458	3.0
269.08066	30.5
270.08521	1.7
271.09723	7.1
271.13135	7.3
281.08051	4.2
281.11694	4.8
283.09668	1.6
284.06686	4.4
284.10352	6.6
285.11118	4.6
286.08218	8.4
295.09677	10.9
296.10394	11.5
299.09100	100.0
299.12695	20.9
300.09381	2.2
312.09805	2.8
313.10629	23.8
314.10855	1.4
315.04822	4.2
317.13760	2.7
327.12241	77.2
328.12482	2.6
345.09689	4.5
345.13303	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1328
Annotation	MLS002695095
Peak:m/z	Relative Intensity
55.05497	2.3
57.92849	1.0
60.34189	1.1
62.83979	1.1
67.05500	2.1
69.03410	3.6
69.07045	3.3
69.21062	10.5
70.06570	1.2
71.04967	2.2
79.05472	2.7
81.03399	2.4
81.07043	4.3
83.04981	3.2
85.02879	3.6
86.09673	1.2
86.69346	1.0
89.06017	2.7
90.85231	1.0
91.05439	4.6
93.07030	2.6
95.04955	1.9
95.08593	2.3
97.02866	2.4
97.06493	1.3
97.10148	1.6
103.05458	9.7
105.07023	1.9
107.04954	7.5
107.08572	3.0
109.02851	1.4
109.10162	2.3
112.11226	5.1
115.05393	1.1
117.07034	1.9
118.04122	6.1
119.04930	1.6
119.08604	1.2
121.06456	1.7
123.04408	2.7
123.08061	1.7
124.07567	4.7
127.03908	3.0
130.04143	5.2
131.04909	35.0
133.08540	1.6
135.04413	2.2
137.05974	5.9
137.09633	2.2
138.09102	2.7
139.12262	2.1
140.01712	1.2
140.10669	3.9
146.03606	1.8
147.04428	2.7
147.08107	1.1
148.05165	3.8
149.05933	1.5
152.06175	1.9
153.01721	1.9
153.05426	3.1
153.06891	2.0
159.04419	3.5
163.03851	1.6
163.07593	1.2
165.05771	1.1
165.07040	5.9
165.09018	2.2
167.07018	5.3
167.08391	2.6
173.05928	1.5
176.04675	10.2
176.06120	1.5
177.05536	1.9
177.07001	4.0
177.10185	1.3
178.06201	2.9
178.07742	3.8
179.08563	3.8
181.06450	9.6
182.07277	5.5
183.07997	1.2
183.09882	2.0
183.11377	9.2
184.09605	1.4
191.07007	70.3
192.71211	1.0
193.06462	5.0
194.07211	3.4
195.08017	4.9
197.05966	1.8
197.09628	4.2
199.07611	2.8
206.07230	2.2
207.07993	4.2
208.14560	3.9
208.64670	1.2
209.05920	4.5
210.06734	14.0
211.04015	1.2
211.07510	4.7
212.04645	1.3
213.05420	1.4
213.09088	1.3
216.04134	2.8
217.04999	1.9
221.05948	5.8
222.06694	3.1
223.07526	7.5
224.08318	5.2
225.09096	9.8
227.06956	9.2
232.74440	1.1
233.10129	1.1
235.07526	3.1
237.05388	2.9
238.06198	6.3
239.06966	6.0
241.04851	1.6
241.08592	2.4
243.06462	2.1
249.05527	2.5
251.06982	2.9
252.07819	3.3
253.08583	14.6
254.05722	1.3
254.09348	5.0
255.02840	7.8
255.06522	7.0
259.06024	2.4
263.06934	1.3
267.06540	4.7
267.10117	14.5
269.04523	2.4
269.08038	5.1
270.08774	12.5
271.09537	2.8
281.08057	6.2
282.08643	1.7
283.02579	1.3
283.06055	2.8
283.09570	3.4
284.07144	2.1
284.10358	7.4
285.11234	17.8
287.05441	6.2
287.08865	1.3
292.11774	1.5
295.09564	11.4
297.03830	1.6
298.08389	4.3
299.05661	2.4
299.09021	14.2
300.02658	2.4
310.12607	1.5
313.10648	100.0
314.11374	14.1
315.04944	28.3
315.08392	3.0
330.07251	8.5
330.10641	2.0
345.09564	49.1
345.13318	57.2
346.13782	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.133
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
51.02354	1.5
55.01863	1.7
59.97405	1.6
65.03924	7.3
71.06844	2.3
71.07170	3.5
73.16261	1.6
79.01842	1.4
79.05451	2.6
89.02956	1.7
91.05464	6.6
93.03395	3.0
93.06986	1.6
95.04951	1.7
95.08599	1.9
96.02091	5.7
101.88211	1.6
103.05493	10.3
105.07030	4.7
107.01301	2.8
107.04934	6.2
111.04430	26.2
115.05424	3.4
116.69649	1.5
117.07004	3.9
119.04967	2.3
121.06487	1.8
123.04398	2.4
128.06190	3.8
129.07018	5.0
131.04927	11.6
131.08659	1.7
133.06493	3.0
135.07951	1.7
137.05952	14.6
139.03885	12.6
141.06963	3.0
143.08540	2.5
144.05666	3.1
145.06499	7.8
147.08109	1.9
148.05220	2.0
151.03903	2.4
151.07524	7.5
152.06186	3.7
153.06915	3.2
155.08501	2.2
157.06473	7.1
159.08026	8.4
160.05145	2.4
160.08817	6.5
161.05968	7.9
161.09622	4.2
162.06708	4.3
163.07536	9.6
165.06987	4.8
165.09143	4.0
167.03401	7.3
167.08543	3.5
168.05693	4.0
169.06529	5.2
170.07210	2.6
171.08072	4.9
173.05984	2.4
175.07532	12.7
175.11214	2.2
177.09093	4.1
178.06262	3.5
178.07750	4.3
179.08501	9.9
181.06494	7.9
182.07324	2.3
183.08044	4.7
185.06013	5.2
185.09651	2.4
187.07533	6.7
188.08366	9.0
189.07138	1.6
189.09094	2.4
191.06949	2.3
195.08038	8.9
196.05196	5.6
196.08827	3.6
197.05962	7.6
197.09627	2.9
198.06763	19.3
199.07578	4.5
200.08330	3.9
203.10603	7.8
205.06554	2.3
206.07372	2.3
206.09402	2.1
207.08084	7.1
208.08839	3.5
209.05936	4.9
210.06761	3.7
210.10341	2.4
211.04027	1.5
211.07555	13.7
211.11072	3.9
213.05461	9.0
213.09158	4.2
215.07027	2.9
216.04306	2.6
221.06027	2.4
221.09608	4.9
221.11623	2.7
223.07529	7.0
224.08311	9.4
225.05466	4.1
225.09009	4.4
226.06133	8.9
227.07002	6.7
228.07762	6.2
234.06743	2.4
235.07547	7.4
236.08258	3.5
237.05420	2.2
237.09146	4.1
238.06180	3.9
238.09868	14.8
239.07007	26.4
239.10599	14.7
240.07779	14.6
241.04999	8.0
241.08559	19.2
243.06480	18.5
243.10190	2.3
249.09099	4.3
251.07030	4.6
252.07759	5.9
253.08572	16.0
253.12193	6.0
254.05725	2.3
255.02957	6.5
255.06561	5.2
255.10173	2.0
256.07281	22.5
256.11032	1.9
257.07944	4.0
258.08893	2.7
259.06018	2.2
265.08435	1.9
266.09235	3.9
267.06592	6.0
267.10126	32.5
268.07336	27.4
268.10379	3.6
269.04776	3.8
269.08029	33.6
270.08792	2.0
271.09720	6.0
271.13254	6.8
281.08066	6.1
281.11765	5.4
283.06116	2.1
283.09610	2.6
284.06754	6.8
284.10446	10.6
285.11108	3.9
286.08334	7.1
287.05432	6.5
295.09671	8.8
296.10382	10.5
299.09109	100.0
299.12720	22.5
300.02509	1.9
300.09567	4.1
300.12912	1.8
313.07147	3.0
313.10645	24.5
315.04932	30.3
327.12247	72.4
328.12665	2.3
330.07285	9.7
345.09579	38.6
345.13345	37.7
346.10162	3.7
367.04117	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28962	0.7
55.01845	0.8
55.05494	1.0
56.69159	0.7
65.03926	2.2
67.05481	1.1
70.81521	2.3
76.93122	0.8
81.07050	1.1
85.02930	0.9
85.71264	1.1
91.05465	3.0
95.04977	0.9
95.08596	0.9
96.02082	1.9
103.05453	6.5
103.73119	0.9
105.07018	1.4
107.01241	0.8
107.04945	3.9
109.02843	1.1
111.04424	8.5
115.05412	2.1
117.07023	2.3
119.04918	1.6
120.78034	0.8
123.04429	2.3
128.06190	2.3
129.07014	1.3
131.04907	4.5
133.06532	1.4
135.04449	1.8
135.08046	1.4
137.05975	9.8
139.03935	5.9
143.08533	1.8
144.05675	0.8
145.06454	3.9
145.48053	0.8
147.08005	1.5
148.05171	1.9
149.06006	0.8
151.07561	3.9
153.01830	3.1
153.05579	0.8
153.07028	2.0
153.12767	0.8
157.06511	1.8
159.08072	1.9
160.08827	1.9
161.02191	1.2
161.05959	2.2
161.09612	1.7
162.06741	0.9
163.03917	2.9
163.07523	9.0
164.08328	0.9
165.06911	1.6
165.09073	5.0
167.03366	1.8
167.07077	1.0
167.08592	1.2
168.05757	1.0
169.06464	1.2
171.07979	2.2
173.05939	0.8
175.07529	9.2
175.11115	1.1
177.09135	2.5
178.06233	5.3
178.07669	1.6
179.03355	1.4
179.07007	0.8
179.08635	2.4
181.06471	3.7
181.08438	0.7
182.07175	1.5
183.08044	1.3
185.06006	2.5
185.09552	1.3
187.07538	2.4
188.08330	5.6
189.09067	0.8
191.06935	1.6
195.07964	1.8
196.05153	1.0
196.08824	1.4
196.21452	0.7
197.05875	1.5
197.09616	1.0
198.06738	7.0
199.07516	0.9
203.03305	1.3
203.10670	8.9
206.07169	1.4
207.08075	2.6
207.09976	0.8
208.08852	0.8
210.06754	1.7
211.07544	2.7
211.11200	2.1
213.05481	3.2
213.08997	1.2
216.04161	5.4
217.04855	1.8
221.05931	0.8
221.09669	1.0
221.11662	2.2
223.07643	1.9
224.08298	3.2
225.05534	1.1
225.08994	2.5
226.06262	2.3
227.03424	2.0
227.07039	1.9
228.07849	1.7
231.02711	0.8
231.06462	3.0
235.07536	2.2
237.08974	0.8
238.06311	1.1
238.09888	2.8
239.06996	7.4
239.10555	4.9
240.07756	3.4
241.04991	3.8
241.08527	3.9
243.06560	5.5
244.03680	3.1
249.09071	1.6
251.07108	1.2
252.07797	1.9
253.08586	5.0
253.12155	1.5
255.02844	15.1
255.06627	1.8
256.03302	1.3
256.07300	5.7
256.10919	1.4
259.05917	4.2
266.09467	0.9
267.06625	2.4
267.10175	12.1
268.07327	8.3
268.10461	1.4
269.04471	3.8
269.08081	10.2
270.08792	1.4
271.06039	1.1
271.09595	1.9
271.13278	1.9
272.03116	1.6
281.04868	0.9
281.08130	1.2
281.11627	1.5
283.02295	2.1
283.05746	1.0
284.03485	1.3
284.06848	3.4
284.10480	3.8
285.11118	1.7
286.08258	2.4
287.05475	13.3
295.09714	4.5
296.10382	3.5
297.03882	3.2
298.07947	0.8
299.05704	2.1
299.09146	32.4
299.12726	7.8
300.02737	4.4
300.05835	0.9
300.09424	1.8
301.14288	1.0
309.11224	0.8
311.05624	1.4
312.06192	2.3
313.07144	1.3
313.10596	10.3
315.04947	69.6
316.05310	5.5
327.12250	24.1
327.15619	1.2
328.12585	1.4
329.06534	1.7
330.07315	21.6
331.07535	1.7
345.09668	100.0
345.13342	11.8
345.16812	2.5
346.10001	9.2
346.13675	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91298	1.9
55.01863	4.2
55.05496	4.5
57.30437	1.8
65.03923	5.0
67.05494	3.3
69.03429	2.3
69.07034	3.4
71.52696	1.9
71.53117	3.1
73.29939	2.2
77.33860	2.2
79.05470	8.8
81.03401	3.1
81.07043	7.8
82.04230	2.3
83.08582	3.6
91.05468	21.6
93.07047	5.4
95.01260	2.0
95.04948	8.6
95.08589	6.1
96.02077	2.4
97.02908	2.8
102.04705	2.0
102.14086	2.3
103.05456	49.4
105.07030	14.7
106.04071	2.0
107.04942	32.1
107.08559	5.0
109.02846	2.3
109.06485	5.1
111.04451	15.4
115.05457	12.5
117.07013	15.0
119.04924	9.1
119.08585	6.4
121.06481	7.0
122.03622	6.8
123.04373	3.3
123.08065	3.4
124.05244	2.3
125.05972	3.9
128.06221	11.2
129.06967	5.1
131.04910	36.9
132.05649	4.4
133.06459	9.4
133.10117	3.8
135.08052	10.2
136.05099	2.3
137.05956	71.0
139.03879	9.1
141.07037	2.6
142.07686	2.1
143.04951	3.7
143.08534	14.3
144.05627	3.1
145.06471	20.5
145.10121	3.4
146.07208	3.8
147.04359	7.2
147.07997	4.4
147.11708	2.5
148.05159	8.4
149.05946	5.2
150.68922	2.1
151.03888	5.8
151.07542	34.4
152.06195	2.3
152.07875	3.1
153.06989	3.5
154.07744	3.2
157.06430	4.4
159.04422	2.9
159.08055	5.4
160.05168	5.5
160.08784	2.9
161.05962	6.6
161.09630	7.3
162.06731	8.9
163.03882	4.8
163.07536	67.9
164.08389	4.9
165.05560	3.5
165.06984	6.9
165.09094	32.2
167.03372	5.8
167.07027	7.3
167.08356	2.9
169.06447	2.7
171.08060	13.9
173.05972	3.2
174.06747	3.5
175.07529	79.3
175.11047	11.4
176.07918	2.9
177.09087	22.1
178.06227	4.7
178.07726	3.5
179.08530	6.2
179.10614	4.1
181.06493	6.4
181.08582	8.9
182.07317	3.0
183.08101	3.9
185.05943	4.4
185.09633	2.8
187.07535	4.6
188.08298	14.8
189.09085	5.4
191.07022	18.7
195.08055	6.7
195.10152	2.1
196.08813	2.8
197.09531	2.6
198.06738	10.0
203.10649	65.2
207.08035	8.0
209.06042	5.1
210.06749	6.0
211.07524	11.1
211.11047	2.4
213.05473	6.2
213.09256	3.0
216.04156	3.8
221.11678	16.4
223.07509	8.7
224.08286	8.3
225.05450	3.1
225.09053	6.3
226.06168	3.4
227.07066	3.2
231.06583	2.7
235.07521	9.0
235.27678	2.1
237.05362	3.9
238.06229	4.9
238.09853	7.1
239.06979	13.5
239.10561	11.4
240.07869	6.6
241.04933	6.3
241.08604	10.6
243.06479	9.3
244.03601	3.7
249.09000	2.4
251.07065	3.4
252.07733	8.2
253.04967	2.3
253.08504	15.3
253.12396	3.6
254.09238	2.5
255.02893	22.5
255.06464	7.2
256.07275	8.6
256.10834	2.4
259.06110	5.5
263.07031	3.6
267.06705	5.5
267.10086	29.8
268.07257	9.9
268.10748	3.1
269.04425	4.9
269.08026	18.2
270.08881	3.7
271.09372	4.7
271.13263	4.8
274.33881	2.6
281.08154	4.6
281.11716	5.0
283.06110	3.1
283.09399	5.0
284.06906	3.0
284.10397	8.0
285.11234	7.1
286.08380	3.3
287.05521	12.9
287.08701	2.7
295.09570	9.6
295.12854	3.8
296.10483	4.5
297.03851	3.9
297.07123	2.3
299.05786	3.4
299.09094	59.8
299.12766	26.3
300.02643	5.8
301.14270	4.3
312.06189	3.1
313.07260	4.2
313.10657	46.0
314.11349	6.8
315.04941	78.4
316.05209	2.8
320.69443	2.4
327.12213	40.1
327.15826	10.5
327.19189	3.2
330.07349	22.7
345.09604	100.0
345.13336	46.1
345.16898	15.5
345.20496	3.1
345.24124	4.1
346.09875	13.0
346.13654	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
65.03922	4.1
67.05512	0.7
67.68388	0.5
69.07050	1.3
69.77271	2.1
69.77688	1.1
76.03069	0.5
79.05477	2.2
81.07024	0.6
91.05473	4.8
93.03398	5.3
94.04167	2.0
95.04971	1.3
103.05469	2.1
103.76543	0.5
105.07025	20.7
107.04935	2.7
108.02108	0.6
109.06508	1.1
110.03612	0.6
111.04432	7.9
117.07030	0.8
119.04919	3.7
121.06542	0.8
122.03632	6.5
124.05171	0.7
125.05981	8.8
128.06239	0.8
131.04973	0.8
131.08578	1.2
133.06480	14.1
135.04362	0.7
137.05966	100.0
138.06293	1.5
141.05469	1.4
143.08528	3.9
145.06482	3.1
147.04402	0.8
147.08098	0.5
149.05986	0.8
151.03900	31.0
151.04997	2.5
151.07518	16.5
152.04274	0.7
153.05455	22.1
159.08049	3.7
161.09575	0.6
162.06763	3.6
163.07555	1.3
165.09105	28.8
166.09581	0.5
171.08002	4.8
173.05937	0.6
177.09062	3.4
179.07004	1.3
181.08614	3.3
188.08301	5.0
191.10660	3.0
203.10648	14.8
216.04248	0.8
221.11699	36.5
222.12065	1.3
231.06459	0.7
241.04997	0.7
241.23529	0.7
242.23827	0.7
253.08580	0.6
255.02991	2.8
259.06006	1.0
269.04590	1.2
269.60818	0.6
283.02374	0.8
287.05505	2.4
295.13364	1.8
300.02765	0.7
315.04919	9.4
316.05313	1.0
327.15961	2.1
330.07330	3.4
331.07559	0.7
345.09665	14.3
345.16879	1.6
346.09967	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29865	0.7
65.03932	3.6
67.05479	0.7
67.33050	0.6
69.07060	1.1
70.54129	2.2
75.16931	0.7
79.05481	3.1
91.05471	4.5
93.03404	5.6
94.04165	2.3
95.04968	1.3
103.05453	2.3
105.07026	21.8
107.04955	1.8
109.06509	1.8
110.03637	1.4
111.04446	7.9
117.07023	0.9
118.26532	0.7
119.04952	3.2
121.06532	1.0
122.03651	6.9
123.04437	0.8
124.05181	1.0
125.05995	11.0
128.06177	0.8
131.08525	1.5
133.06483	15.4
135.08102	0.8
137.05971	100.0
138.06281	1.5
141.05487	1.1
143.08580	5.6
145.06535	3.8
147.04370	1.0
151.03903	35.0
151.04950	1.8
151.07535	19.1
151.52263	0.6
153.05463	21.3
159.08090	4.7
161.09575	0.8
162.06787	2.4
163.03958	0.8
163.07510	1.2
165.09111	30.3
171.08060	4.9
177.09103	2.9
178.06236	1.8
181.08687	3.3
185.33296	0.6
188.08310	4.2
189.08994	0.8
189.19171	0.7
191.10658	2.6
203.10651	17.6
204.10904	1.0
221.11714	44.1
244.03780	0.8
255.02771	3.4
269.04419	0.8
283.02240	0.7
287.05505	2.7
292.00333	0.8
295.13248	2.0
297.03992	0.8
300.02405	0.9
315.04959	12.9
316.05176	0.8
327.15839	1.8
330.07327	3.8
334.14551	0.7
345.09695	19.5
345.16727	1.4
346.10046	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94231	2.0
55.05501	3.0
57.01116	2.7
65.03938	3.6
67.05524	5.9
69.03432	3.3
70.86113	7.9
71.04994	2.8
79.05476	4.4
81.03401	2.6
81.07040	11.8
83.04968	8.2
85.02908	3.7
91.05450	7.3
93.07062	4.7
94.04178	4.6
95.04962	5.8
95.08585	4.9
99.27624	2.4
103.05458	12.0
105.07038	7.3
107.04960	7.4
109.02889	2.9
109.06507	8.5
109.10216	3.1
112.57957	2.3
117.07026	3.5
121.06512	4.4
121.10126	3.0
122.03621	8.1
123.04420	4.9
123.08083	3.0
125.05949	2.6
131.04950	12.9
133.06485	15.2
135.08038	9.3
137.05969	100.0
137.09590	4.6
143.08557	3.9
145.06429	3.2
147.04431	2.6
149.06004	3.8
151.07509	7.4
153.01793	2.8
153.05432	5.2
153.09134	3.1
161.05963	5.4
163.03850	3.1
163.07558	25.2
167.06985	7.4
175.07524	5.8
177.09109	3.9
178.06262	4.8
178.07808	3.3
181.06442	3.8
191.07001	5.9
207.13870	3.4
211.07549	3.9
225.09195	3.1
244.03502	3.1
249.41116	2.5
252.07899	3.2
253.08617	5.5
255.02943	13.3
285.11060	5.3
287.05518	8.1
295.13239	3.7
297.04202	3.4
299.05887	3.2
299.09137	4.2
300.02689	5.8
312.06461	2.9
313.10709	12.7
313.14001	2.7
315.04987	47.5
316.05505	4.1
327.12326	6.6
330.07254	12.1
345.09647	64.1
345.13489	12.7
346.10028	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	345.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01857	3.5
55.05502	1.8
67.05493	3.3
69.03436	1.7
69.07072	1.3
70.56821	3.3
70.93821	1.0
72.61247	1.0
79.05473	7.8
81.07053	5.0
91.05467	24.5
93.07037	4.0
94.04179	4.2
95.04945	5.6
95.08592	2.6
102.04630	1.2
103.05454	68.3
104.01315	1.3
105.07024	17.4
107.01343	1.2
107.04947	15.3
107.08572	2.0
109.06484	7.8
109.10135	1.7
111.04456	4.6
115.05435	15.4
117.07006	24.5
119.04937	13.9
119.08595	5.2
121.06489	6.0
121.10114	1.7
122.03656	7.6
123.04407	2.0
123.08052	4.5
125.06006	2.0
128.06201	15.0
129.06969	3.5
130.07803	2.0
131.04910	43.5
131.08603	2.3
132.05693	4.4
133.06471	14.6
135.08063	7.8
136.05190	2.6
137.05962	100.0
138.06287	1.4
139.03969	2.5
141.07034	1.5
143.04926	4.7
143.08543	20.4
144.05685	2.1
145.06468	25.2
145.10123	2.8
145.65802	1.5
146.07269	5.6
147.04372	2.8
147.08018	6.6
147.24837	1.2
148.05174	11.7
149.05960	3.6
149.09625	2.3
151.03900	8.5
151.07520	54.6
152.06187	1.3
153.05367	1.3
153.06969	2.4
155.05998	2.2
157.06378	1.6
158.07262	1.4
159.08044	3.3
160.05208	5.7
160.08817	4.0
161.05981	4.9
161.09583	7.5
162.06764	11.5
163.07524	70.5
164.08099	2.8
165.05548	2.3
165.06953	3.3
165.09094	46.6
166.09383	1.2
167.06992	2.5
167.08495	1.2
168.05641	1.3
169.06471	2.0
171.08029	22.9
171.09399	1.1
172.08763	2.8
173.05965	4.3
174.06743	1.2
175.07529	84.0
175.11087	13.0
176.07893	2.4
177.05499	1.4
177.09090	36.7
178.06313	2.5
178.07794	2.7
179.07025	2.2
179.08551	4.3
179.10683	8.2
181.06482	4.1
181.08582	1.4
183.08138	1.6
187.07533	4.2
188.08316	18.3
189.09009	2.3
191.06998	6.5
191.10698	2.1
193.08615	2.1
194.07364	1.4
195.08031	3.9
195.10208	5.9
196.08955	1.4
198.06772	3.1
199.07545	1.7
203.10643	65.1
204.11053	2.4
206.07291	1.8
207.08112	7.3
208.08636	1.6
209.09738	2.3
210.06694	2.4
211.07538	3.2
213.05328	1.4
216.04135	3.0
217.04892	1.4
220.08727	2.0
221.05850	1.9
221.09613	1.4
221.11662	19.4
222.06703	1.3
223.07535	4.0
224.08328	3.7
225.09062	4.5
226.06271	1.6
227.03374	1.5
227.06987	2.5
228.04135	1.4
234.06609	1.4
235.07585	7.8
235.11128	2.8
237.09128	3.1
238.06172	1.5
238.09787	5.3
239.07019	4.0
239.10527	5.3
240.07651	1.8
241.08592	2.6
243.06439	2.3
249.08936	3.0
251.07033	2.5
252.07820	2.6
253.08626	4.8
254.09334	1.9
255.02881	9.4
255.06528	2.1
255.10202	1.3
256.07288	2.0
259.06024	2.0
263.10760	2.4
263.60052	1.2
266.09256	1.7
267.07394	2.0
267.10123	12.1
267.13052	2.0
268.10791	2.6
269.08130	4.3
270.08853	2.7
281.08716	1.5
281.11563	6.5
283.02518	1.7
283.06155	1.5
283.09540	2.8
284.06561	1.9
284.10370	3.8
285.11203	1.7
287.05569	6.3
295.09631	4.4
295.13263	3.1
298.11990	2.7
299.09207	10.0
299.12772	23.5
300.02646	3.2
301.14313	6.5
313.10760	13.1
314.11444	2.5
315.04938	37.9
315.08572	2.3
316.05194	2.7
327.12256	5.3
327.15854	10.1
327.19327	2.3
330.07248	9.0
345.09659	52.3
345.13312	12.6
345.16910	33.0
346.09970	3.9
346.13641	1.4
346.17508	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96748	2.8
55.01867	4.9
66.26073	3.8
67.05490	10.0
69.03430	5.2
71.52636	5.2
79.05486	10.0
81.03417	7.2
81.07035	9.0
83.04958	3.3
85.02892	4.3
86.97289	3.1
91.05479	10.2
93.07047	10.0
94.04180	4.2
95.04951	9.5
95.08588	9.4
96.05179	3.4
97.02889	2.9
97.06519	4.1
98.15348	2.9
103.05446	19.0
105.07034	11.2
107.04929	18.8
107.08583	6.4
109.02923	4.8
109.06523	5.8
109.10164	5.9
115.05437	5.4
117.06990	6.0
118.04144	3.7
119.04980	4.6
119.08552	4.1
121.02839	8.0
121.06460	8.3
121.10163	10.2
122.03682	3.8
123.04471	5.6
123.08098	3.2
125.05979	3.1
128.06235	3.3
129.06999	4.4
131.04939	35.6
133.06555	3.1
135.04390	10.2
135.08054	5.8
137.05975	57.4
137.09590	4.4
143.08577	4.1
145.06448	7.0
147.04367	5.6
147.08078	3.5
147.11673	3.7
149.05991	8.2
151.03883	6.7
151.07498	20.2
152.06181	4.7
153.05475	7.5
153.06920	5.0
159.04407	3.3
161.05960	9.4
162.06573	3.9
163.03922	12.7
163.07539	36.1
165.05638	4.2
165.07002	12.0
165.09068	7.1
167.07053	10.5
167.08429	4.7
169.06424	3.9
174.06729	3.2
175.07542	15.4
176.04630	5.7
177.09096	59.7
178.06274	7.3
178.07774	7.5
178.09407	3.9
179.08485	8.4
181.04938	20.6
181.06465	12.8
182.07266	6.9
183.06541	4.8
183.08006	6.8
187.03798	3.2
189.09138	4.9
191.03391	66.8
191.05190	3.9
191.05528	3.7
191.07008	37.1
191.08592	3.8
193.06458	5.6
193.08627	3.9
194.07315	3.8
195.07990	13.0
195.09966	4.8
197.05922	6.7
199.07533	4.3
203.06941	3.5
203.10645	5.5
205.06558	4.0
207.08084	11.4
209.06056	6.2
209.08060	11.4
210.06700	12.4
211.07564	20.4
213.09207	3.9
221.06078	5.9
223.07555	9.6
224.08128	7.3
225.05580	4.7
225.09041	8.9
226.06230	11.4
227.06866	7.6
227.10551	3.2
228.04140	5.2
231.06544	4.9
235.07518	8.6
237.05345	6.1
238.06169	7.6
239.06996	37.8
239.10684	13.1
240.07547	6.5
241.05038	4.7
241.08600	8.1
243.06438	7.6
251.07034	4.6
252.07858	9.8
253.08583	12.5
255.02892	9.9
255.06549	11.4
259.05978	4.6
267.06598	5.4
267.10056	15.2
269.04550	5.5
269.08057	9.8
270.08774	10.6
271.09637	5.2
273.11212	6.3
283.06046	6.3
284.06946	4.7
284.10358	4.3
285.11148	21.4
286.08337	13.1
286.11304	4.0
287.05496	13.3
295.09589	12.4
296.10321	3.7
297.03729	3.4
299.05768	3.5
299.09106	70.6
299.12747	42.3
300.02557	5.5
313.10641	77.8
314.11118	12.1
315.04935	60.4
315.08456	3.8
327.12234	44.0
327.15900	15.6
330.07416	14.3
345.06424	4.2
345.09586	100.0
345.13339	72.5
345.16824	14.2
346.10010	10.2
346.13748	5.4
369.69873	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	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51207	2.3
57.02037	2.2
67.05489	3.5
69.03427	2.9
71.52650	4.5
79.05497	3.3
81.07039	4.7
85.02867	2.5
91.05486	10.6
93.07058	2.5
95.04937	3.8
95.08624	3.1
103.05457	19.9
105.07023	4.0
107.04981	8.8
109.02980	3.0
109.10163	3.8
115.05437	3.9
117.07030	8.6
117.42797	2.7
119.04932	5.6
119.08608	3.2
121.06493	3.9
122.03666	3.7
123.04463	2.7
131.04921	26.4
133.06493	5.2
134.07280	2.5
135.08060	5.5
137.05975	66.2
137.09622	2.6
143.08559	3.7
145.06465	4.0
147.04382	4.0
151.07509	18.8
161.05937	5.9
161.09651	3.5
162.06741	5.5
163.03929	4.2
163.07533	46.1
165.09120	7.2
167.07079	3.4
171.08009	4.9
175.07553	18.5
177.09103	100.0
178.09454	3.4
181.06493	3.0
188.08270	3.2
191.07063	7.1
193.06519	2.4
195.08110	2.1
195.10167	9.0
203.10651	12.3
207.08015	3.4
210.06758	3.8
211.07375	5.0
216.04094	2.4
221.11771	8.2
223.07643	2.9
227.06990	2.9
235.07521	3.1
239.07076	3.8
239.10547	4.4
251.07076	2.6
253.08586	5.8
255.02930	6.9
255.06519	2.9
267.10159	7.8
269.07629	2.7
270.08765	3.0
285.11282	5.4
287.05371	6.9
299.09344	5.7
299.12762	10.3
313.10620	18.2
314.11322	2.8
315.04987	26.9
327.12286	4.7
327.15897	3.7
330.07233	7.0
345.09705	42.0
345.13361	10.6
345.16916	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	345.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	2.5
57.07058	1.5
57.31304	0.7
59.04975	2.3
67.05494	5.9
69.03414	1.6
69.07059	100.0
70.07375	2.1
71.11992	1.6
79.05466	2.1
79.88202	0.7
81.06582	1.4
81.07043	19.6
83.04973	17.3
88.07593	1.0
91.05473	1.7
91.19366	0.7
93.07023	1.9
95.04934	2.0
95.08587	3.8
105.07022	1.7
107.08567	4.4
109.06523	3.6
109.10145	6.8
115.50425	0.8
119.08554	1.8
120.53792	0.9
121.10123	0.8
123.04422	0.9
123.08109	1.1
123.11688	25.2
133.06471	1.1
137.06000	1.4
137.91812	0.7
151.07530	2.1
151.09962	1.8
151.11166	33.8
152.11516	1.0
159.08086	0.9
161.13268	2.8
163.03873	1.0
165.09143	1.5
178.06105	1.8
186.10309	1.3
187.07571	1.1
188.08296	2.1
191.10687	0.9
201.09050	1.3
202.09798	3.8
203.10690	2.5
207.98952	0.8
216.04030	1.0
217.12260	5.3
224.15712	1.1
231.06322	1.0
231.13832	2.9
243.13757	1.4
244.03679	1.4
255.02916	3.9
259.06085	1.3
261.11234	1.8
269.04385	1.1
283.02298	1.7
287.05402	3.8
297.04004	1.6
298.30920	1.0
299.19858	1.0
300.02689	2.0
315.04941	20.0
316.05188	2.5
327.08496	1.9
330.07144	5.8
345.09628	32.7
345.20520	1.4
346.09799	2.4
346.33173	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	346.1643
Annotation	Reticuline N-oxide
Peak:m/z	Relative Intensity
53.03952	2.3
53.13086	1.5
53.14753	1.6
55.01862	2.2
55.05488	2.0
65.03942	2.7
65.22052	1.6
69.03426	3.7
69.07040	1.6
70.76805	4.6
71.04972	2.6
72.04499	2.6
72.08155	1.7
73.02912	2.3
77.55068	1.5
79.05489	2.6
81.03384	5.1
81.07014	2.8
83.04951	2.8
85.06541	3.4
86.09688	2.0
86.26035	1.5
90.05560	4.6
91.05472	7.0
93.07041	2.9
94.04150	2.8
94.13038	1.6
95.04971	3.6
97.02870	4.2
98.02409	2.5
99.04441	2.1
101.71601	1.7
103.05500	2.1
105.07014	2.6
107.04942	5.9
109.02875	7.1
109.06504	1.8
115.05459	5.8
116.03461	2.1
119.04900	3.0
119.07310	2.6
121.02873	2.0
121.06534	2.3
121.10152	2.1
122.03596	4.9
123.04417	3.4
124.07568	5.1
125.06038	2.6
127.03870	1.6
128.06218	1.9
131.04890	5.7
133.02870	2.5
135.04454	2.8
137.05968	56.0
138.03076	2.7
138.06320	11.5
142.08678	3.9
143.04909	16.2
147.04317	3.0
148.07585	6.5
149.05988	2.3
149.08353	2.0
151.03912	5.6
151.07573	5.8
153.05450	31.6
159.04364	9.4
160.05168	2.6
161.05983	2.0
162.09135	5.2
163.07553	2.2
164.07085	2.6
165.05595	3.1
166.34995	1.7
167.07045	13.5
167.10683	2.2
175.07523	13.2
176.07076	5.9
177.05449	3.0
177.07863	25.8
178.08617	9.8
180.10225	4.6
181.06454	3.1
184.09703	5.5
184.13319	6.2
190.08592	18.7
191.07053	5.5
191.09364	5.6
192.10168	100.0
193.07355	13.8
193.10521	6.8
195.08020	3.5
202.10701	15.3
203.11192	2.3
208.09686	70.8
209.09883	4.1
211.07561	1.9
212.08130	1.8
216.08745	2.0
223.07518	2.7
225.09158	2.4
237.09059	2.4
243.10385	2.3
251.07059	2.9
255.10190	2.7
262.12555	2.0
265.08838	2.4
269.08044	2.0
271.09662	2.6
283.09598	3.9
300.12384	6.6
303.12366	2.1
314.14050	3.2
315.12231	5.4
316.05310	5.7
328.15176	4.8
331.07385	2.0
346.10117	15.2
346.16510	79.5
347.12671	1.8
347.16980	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	347.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.2
55.01841	9.9
56.05011	9.7
56.96336	7.8
56.96557	87.2
57.03422	31.3
57.37325	6.8
58.06549	6.6
59.04995	9.1
61.02914	39.4
67.05476	9.1
69.03426	64.5
70.06564	9.9
71.04966	7.1
71.16367	6.6
71.52159	9.0
71.52570	9.6
73.02909	34.6
75.13725	7.7
81.03395	28.0
81.04530	12.1
84.08108	10.7
84.96012	13.8
85.02892	100.0
86.09696	10.9
87.04456	19.8
87.60016	6.6
91.03956	8.3
91.05474	10.2
97.02880	56.4
98.97570	95.2
99.04450	19.3
101.00854	29.7
106.45726	6.2
107.04957	8.1
108.08094	34.5
109.02855	15.0
110.97545	25.2
112.99084	11.3
113.00880	6.4
115.02473	7.4
116.98600	65.7
117.01880	7.1
119.01908	75.3
119.04884	14.8
122.05994	20.6
123.06767	19.2
124.07600	11.4
125.06047	7.3
127.03895	31.4
127.05151	6.2
127.92597	7.3
128.98566	36.3
129.10228	9.5
131.00143	19.0
131.01906	28.1
132.87253	7.2
133.03432	25.3
134.99617	25.5
135.04385	7.0
136.07573	17.1
137.02896	7.9
137.05977	19.2
137.08304	13.7
138.05476	62.9
138.08705	15.1
139.01563	9.2
142.03888	9.8
143.00140	16.4
143.01872	41.2
145.03432	17.8
145.04907	8.3
146.99646	32.0
147.03244	9.0
147.04297	16.4
148.03865	19.7
148.07649	10.7
149.01160	21.2
149.07941	12.7
150.05441	46.0
151.06268	19.0
152.07024	35.5
154.93230	11.2
155.01819	9.1
157.03398	15.3
158.99652	26.8
161.01161	16.7
161.02940	42.0
163.02724	16.8
163.04358	9.8
165.00679	12.9
166.08669	34.1
167.09010	51.6
168.06519	54.0
170.95917	8.4
170.99588	14.1
172.94368	22.2
173.01314	8.2
173.02907	26.6
173.04373	8.6
174.99173	10.1
175.04456	9.8
177.00706	36.2
177.02122	10.9
177.04201	10.2
178.04942	9.0
182.03381	10.5
184.09619	37.0
185.01335	9.5
185.02835	12.1
185.06534	15.7
185.10072	46.1
186.06081	8.0
186.07576	13.5
187.00797	9.8
187.02818	12.6
187.04538	9.0
189.00648	19.6
190.95438	14.1
190.98744	10.3
191.02251	11.7
198.04570	11.9
201.00645	10.5
201.02342	10.1
203.02228	10.1
203.04028	22.2
205.03830	11.1
207.01695	9.9
207.05136	17.4
209.02951	8.3
213.05191	20.2
214.95551	11.0
219.01743	39.0
221.05046	22.9
227.04765	22.3
227.07562	9.2
227.57780	10.2
228.07626	11.8
232.96400	30.5
234.44296	7.6
235.06407	8.4
236.95564	8.4
237.02832	52.4
243.06059	20.6
243.08046	21.7
245.05038	21.8
250.97546	7.2
259.06644	14.5
265.05972	18.4
266.08496	11.8
274.97412	7.7
279.09192	18.7
305.05151	10.1
314.12000	7.4
322.95932	9.3
330.11627	7.3
347.06519	16.5
347.15363	95.7
347.22495	7.8
348.12659	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51041	1.2
53.03920	1.6
55.01836	1.7
57.03413	4.4
58.10003	1.4
67.05482	1.8
69.03407	4.7
71.04987	2.0
71.29302	2.4
71.29642	1.5
73.04977	1.3
75.04478	1.9
81.03417	3.0
81.07036	3.6
83.04968	3.0
85.02902	8.2
91.05482	11.4
93.07065	1.9
95.04975	3.7
97.02881	2.3
99.04442	2.9
103.05431	1.9
107.04927	3.0
107.08569	2.9
109.02846	1.7
109.06496	2.1
111.04380	1.8
119.04918	8.9
121.06496	14.5
123.04429	12.3
123.08035	2.2
124.53703	1.5
125.05979	2.5
127.03925	1.7
131.04907	2.5
134.03595	2.6
135.04431	2.9
137.05977	16.3
139.03889	5.4
141.06973	4.3
145.06468	3.3
147.04404	1.8
148.05220	1.7
149.05984	28.4
150.06612	1.9
151.03914	3.2
151.07533	40.7
152.04539	1.5
152.06116	7.3
153.06981	28.4
154.04967	7.6
155.03343	2.5
155.08562	1.9
161.05917	2.0
163.03893	5.1
163.07498	3.4
165.05566	2.3
165.06975	5.3
166.04994	3.6
167.08574	2.6
167.10657	3.5
169.06465	11.0
170.07227	3.6
175.07547	2.8
177.09003	2.2
178.05046	2.3
180.06720	2.7
181.06462	36.6
183.07994	2.0
187.07523	2.8
193.06470	2.9
195.07986	5.1
196.06004	2.4
197.05956	22.1
198.06697	8.1
199.07443	3.2
207.04387	12.4
209.05968	12.3
210.06693	1.4
211.07507	16.4
213.09073	26.0
214.06155	3.1
215.07051	2.5
223.07565	3.0
225.05518	7.5
226.06226	3.6
227.10620	2.3
229.08467	3.6
239.07002	6.1
241.08563	32.1
242.09135	2.9
243.06396	2.1
255.10123	3.0
257.08109	4.8
258.08847	70.4
259.08963	2.1
270.08704	2.2
271.09689	9.3
272.10413	100.0
273.11169	45.4
297.07648	1.6
311.12787	1.5
329.09833	1.8
347.13062	2.0
348.10809	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	347.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01864	4.5
55.05507	19.7
57.03433	5.7
57.07072	5.6
59.05002	3.8
65.03939	3.1
67.05501	13.3
69.03420	5.0
69.07066	20.5
70.87632	5.9
71.04988	7.4
75.94838	2.0
79.05491	20.9
81.03414	3.1
81.07049	34.0
82.04221	4.0
83.04976	26.2
83.08607	7.6
83.09081	2.1
85.06540	4.8
91.05492	21.5
93.07036	41.8
95.04968	9.4
95.08603	26.9
97.06534	7.5
97.10143	4.0
105.07032	27.3
105.48701	2.3
107.04957	9.0
107.08584	54.5
109.06510	11.3
109.10152	13.1
111.08089	11.5
113.09614	2.8
117.07006	5.5
119.08571	42.7
121.06518	18.1
121.10133	42.1
122.07308	4.2
123.08054	12.2
123.11699	9.1
125.05974	2.5
125.09633	10.8
131.04965	2.4
131.08545	19.8
133.10133	26.2
135.08040	25.4
135.11676	9.8
136.08820	3.4
137.05933	4.0
137.09627	5.2
139.11159	3.5
145.10112	8.6
146.82779	2.2
147.11685	7.3
149.09612	34.4
149.13239	12.2
151.11151	4.9
151.14857	2.8
158.10973	4.3
161.13293	3.5
163.11227	2.1
163.14825	12.9
167.10689	5.6
167.14351	7.2
173.13269	19.3
177.12758	6.6
185.11691	3.9
191.14293	100.0
192.15074	27.2
209.15373	8.4
315.69315	2.4
329.14096	5.5
347.07657	7.8
347.15253	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	347.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58145	3.1
53.03940	6.8
55.01851	11.0
55.05504	31.1
57.03429	4.0
57.07058	5.4
59.04987	5.5
67.05491	19.0
69.03416	11.3
69.07058	27.4
69.66987	3.0
70.78227	10.1
71.04971	12.8
77.13654	3.0
79.05478	33.0
81.03412	6.3
81.06590	3.8
81.07047	56.0
82.04198	6.6
83.04980	25.0
83.08614	13.5
85.02885	7.1
85.06535	5.4
87.43685	3.3
89.02365	3.7
91.05482	27.9
93.07031	58.8
95.04934	15.4
95.08601	41.0
96.28196	3.1
96.38463	3.6
97.02886	8.2
97.06529	19.6
97.10154	4.0
99.04435	3.5
99.08098	4.0
103.05428	4.8
105.07015	43.4
107.04949	11.6
107.08586	68.1
109.02892	5.7
109.06509	17.6
109.10144	22.1
109.46586	3.5
111.04379	3.9
111.08073	14.9
117.07030	10.2
119.08570	27.9
121.06474	27.5
121.10129	77.1
122.07269	9.1
123.08031	19.6
123.11691	21.3
125.05988	7.2
125.09605	9.6
127.03919	3.1
129.07010	5.5
131.08559	28.7
133.06502	5.1
133.10114	45.4
135.08031	33.5
135.11678	9.3
136.08740	5.2
137.05949	12.9
137.09593	11.2
139.11174	13.3
143.08553	4.8
145.10081	10.4
147.04347	3.9
147.11655	7.3
149.05986	4.3
149.09616	49.1
149.13235	11.8
158.11023	3.8
159.11674	7.0
161.13228	6.1
163.11113	4.1
163.14806	21.6
167.07019	7.5
167.10657	24.8
167.14294	7.6
173.13222	41.3
177.05524	4.5
177.12723	14.3
185.11763	13.3
188.27742	3.2
190.65813	3.3
191.14287	100.0
192.15053	43.0
204.09270	3.6
209.15485	8.5
233.92638	3.6
241.12439	5.8
311.14920	4.3
329.14233	12.6
347.15277	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.5
55.05503	10.0
57.07058	2.7
58.46344	1.7
59.04989	5.6
67.05492	4.5
69.03420	11.0
69.07050	4.2
69.43424	5.9
69.43845	8.8
71.04984	23.9
78.51951	1.6
79.05490	13.4
81.03404	10.7
81.06577	3.5
81.07043	42.5
82.06580	3.5
82.41052	1.7
83.04966	2.9
83.08598	6.7
84.08097	1.9
85.02887	9.7
85.06531	2.6
89.71291	2.0
91.05461	5.8
93.07024	12.0
94.60401	1.5
95.04965	2.1
95.08593	15.2
96.08117	7.4
97.02867	4.4
97.06520	13.5
98.09650	1.7
98.20706	2.9
100.07640	4.3
100.11240	26.8
103.05455	3.2
105.07055	7.9
105.07619	1.6
107.04942	7.6
107.08574	4.1
109.02870	7.2
109.06456	1.6
109.10195	2.0
111.04427	3.7
112.07565	2.1
114.09138	5.8
119.08596	2.7
121.06509	5.4
121.10131	100.0
123.04408	3.7
123.08053	2.6
123.11687	26.7
125.05992	16.0
125.09602	6.6
127.03898	5.8
128.07059	2.0
129.06992	5.7
131.00566	1.9
131.08530	3.2
135.04448	1.9
137.05978	4.3
139.03845	2.4
139.11165	34.1
141.11455	6.5
145.04863	1.9
145.06552	1.6
145.57944	1.8
147.04393	5.2
147.08072	1.8
149.05991	3.8
149.09647	9.0
153.05515	2.9
155.11209	1.8
163.07573	2.8
165.05402	6.5
165.53128	1.5
167.07074	15.5
167.08475	2.9
167.10658	50.7
167.12105	2.4
175.07536	12.7
179.07033	2.4
181.08517	10.9
182.15356	8.4
185.11694	29.1
191.07037	2.1
210.14868	10.3
218.66251	3.3
227.17496	5.1
275.20471	3.1
283.13065	1.9
283.71759	3.7
287.26880	1.9
301.10599	6.9
311.14935	11.1
329.16150	9.8
338.24365	3.1
347.14493	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1696
Annotation	Rehmapicroside
Peak:m/z	Relative Intensity
51.09247	0.7
53.03943	1.9
55.01850	0.8
55.05496	1.3
57.03433	0.9
57.07084	0.8
57.94738	0.6
59.05000	7.5
60.12761	0.7
62.72379	0.8
67.05497	3.7
69.03423	7.8
69.07055	3.4
69.70155	3.2
69.70562	2.0
71.04987	21.5
79.05490	13.9
81.03406	8.5
81.07051	37.7
83.04980	1.5
83.08644	0.8
85.02899	9.3
85.06476	0.9
87.04459	0.9
91.05484	4.3
93.07037	11.0
95.04963	2.5
95.08605	12.6
97.02885	4.5
97.06525	8.8
97.10139	1.0
99.04450	1.8
103.05447	2.0
105.07025	6.3
107.04948	3.5
107.08618	4.1
109.02872	8.3
109.06507	1.4
111.04448	1.3
119.08560	2.0
121.06499	2.8
121.10134	100.0
121.65188	0.7
122.10446	2.0
123.04436	1.8
123.08089	2.2
123.11698	28.0
125.05981	14.9
125.09624	6.2
127.03899	8.1
129.06998	2.4
131.08556	1.3
133.06429	0.8
137.05977	3.8
139.03828	0.9
139.11169	31.3
139.12218	1.7
143.10666	1.5
145.04974	0.9
147.04402	3.0
149.05988	1.7
149.09607	6.6
151.07573	1.3
153.05507	1.6
157.06454	1.6
161.05959	1.3
163.07526	1.2
165.05463	2.8
165.06834	0.8
165.09088	0.9
167.07040	7.5
167.10664	55.4
168.10968	1.0
175.07527	6.6
181.08598	4.8
185.11707	30.9
186.12036	1.0
191.92818	0.8
195.08179	1.2
211.07571	1.1
223.07539	1.2
229.12325	0.9
239.06882	0.9
239.12749	2.0
240.07584	0.9
243.10237	0.8
257.13837	1.4
271.09616	1.2
293.13773	2.9
297.10864	0.9
299.09235	2.5
301.10638	1.6
311.14856	11.2
329.15967	11.7
347.17041	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	348.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	3.3
58.90368	2.4
60.04503	3.4
60.57989	2.2
65.03925	5.0
67.01846	3.3
67.05497	3.6
68.99784	7.0
69.03407	7.3
69.91991	15.0
73.61740	2.4
74.91898	2.5
80.23598	2.4
81.03394	4.4
83.04948	3.0
84.04481	7.5
84.61324	2.4
85.02891	3.8
89.33689	2.9
91.05460	4.5
95.04974	4.0
98.06062	4.0
105.03343	4.2
105.07019	3.1
107.04933	4.1
109.02868	3.7
109.55110	2.7
110.06034	3.0
110.57610	3.1
111.00759	3.0
111.04437	7.5
118.06541	2.9
118.65724	2.7
119.04929	7.6
121.02875	3.4
123.00774	3.4
123.04414	100.0
124.07545	5.4
126.05496	5.9
127.03893	5.6
132.04411	3.9
134.05962	5.2
135.04395	9.8
136.03925	3.9
136.07574	3.7
137.02261	5.6
137.05934	4.1
138.05466	14.5
139.03885	75.3
140.03387	5.0
146.06010	6.5
147.04385	21.8
149.02327	16.8
149.05984	4.1
150.05519	6.5
151.03867	14.0
152.07021	7.8
154.04977	31.8
155.03380	18.5
161.05954	3.5
162.05443	8.7
163.03873	30.6
163.06120	3.8
164.07051	14.9
165.05466	9.7
166.04977	31.7
168.06519	13.7
176.07019	5.1
176.64798	2.5
177.05426	7.0
178.04994	10.7
179.03380	7.9
180.06537	73.6
181.04863	3.2
185.06020	3.0
186.05830	9.1
189.07832	3.0
192.06505	8.2
193.05029	5.9
194.08102	12.6
196.06049	24.6
197.05945	4.7
201.05144	3.1
204.06642	4.8
208.06026	35.2
210.07622	18.4
229.04997	4.1
241.04990	3.3
259.05551	2.9
270.07678	3.3
271.05814	4.7
288.08481	5.9
289.06976	7.8
306.09698	9.3
312.08679	3.7
330.09634	20.8
331.08063	4.0
348.10718	59.5
349.14017	4.0
362.32413	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	348.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34880	1.4
53.03943	2.4
55.01865	2.5
56.05033	2.9
56.96557	21.5
57.03429	4.6
61.02923	7.3
65.03950	2.2
67.05492	5.1
69.03423	16.0
69.50196	8.9
70.06577	1.8
70.98089	1.7
71.04996	2.3
73.02908	5.4
79.05473	2.0
81.03394	7.7
85.02898	25.1
85.06522	1.5
87.04461	4.0
91.05458	3.7
94.06563	13.5
95.04953	2.5
95.07327	1.6
96.08153	1.5
97.02884	16.1
98.97579	100.0
99.04453	4.2
101.00881	6.3
102.96867	1.7
105.75241	1.4
106.06556	3.6
107.04973	3.0
108.04482	4.1
108.08077	8.6
109.02874	5.1
110.06045	6.7
110.97556	5.8
112.99130	3.2
116.07121	1.4
116.98614	50.8
119.01144	1.8
119.01920	19.5
119.04951	3.5
120.31954	1.3
121.01688	2.0
122.06017	42.1
123.04440	1.5
123.06810	28.0
124.07584	5.9
127.03919	6.7
128.06999	1.8
128.98593	9.3
131.00134	5.6
131.01082	1.4
131.01863	8.7
133.01735	2.0
133.03482	5.9
134.06020	5.3
134.99643	20.5
135.04387	1.5
136.06175	4.8
136.07564	4.1
137.02937	3.4
137.05948	6.8
137.08377	3.8
138.05493	79.6
139.05890	1.8
140.00259	1.4
140.07027	7.5
143.00148	2.0
143.01912	5.6
145.01657	2.9
145.03482	3.9
145.04971	3.3
146.99635	6.2
147.04393	5.3
149.01247	2.6
149.02922	3.1
150.05495	73.9
151.06290	29.5
152.07059	14.9
153.00705	2.3
155.01906	4.5
157.03432	3.2
158.98328	2.1
158.99649	41.8
159.03229	1.9
159.04988	2.0
161.01270	3.4
161.02940	9.7
162.03108	2.4
163.02678	1.8
163.03995	2.3
166.08665	1.8
167.06993	3.2
168.06544	88.1
168.99818	3.0
169.01711	2.2
169.04535	2.0
169.07158	4.2
169.08745	1.6
170.05260	1.9
170.08020	2.2
170.99646	2.3
171.05008	3.1
173.01431	1.3
173.02907	7.0
174.03078	2.4
174.06068	2.2
174.99207	2.2
175.02777	1.9
175.04483	2.9
175.05984	1.6
177.00705	60.4
177.04074	2.1
179.07030	1.7
185.02948	4.0
186.06075	6.2
186.07628	20.1
187.01125	2.6
187.02782	9.1
187.04433	2.7
188.97052	1.7
189.00761	2.5
189.06137	1.9
193.00212	2.2
195.01801	2.8
199.02824	1.8
200.02415	3.6
201.00732	1.4
201.02344	2.2
203.04024	4.7
205.03781	4.8
210.04323	1.9
215.00409	7.8
219.01715	25.4
219.03613	2.3
221.05133	5.3
229.01849	2.9
229.03841	12.4
229.05775	2.2
232.96355	2.0
237.02756	14.6
238.03627	2.1
245.04971	3.7
247.03044	5.2
258.08105	2.3
259.06619	5.4
260.04395	2.0
265.05768	3.6
267.08206	1.9
276.09308	1.6
279.03961	4.0
288.09482	3.3
302.12177	4.6
306.10510	2.1
307.07047	2.7
312.10538	2.0
317.07190	2.4
321.10513	2.4
330.11768	9.6
348.12805	46.0
349.09348	1.6
349.13547	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	348.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01842	0.9
57.03436	1.5
61.02911	2.0
69.03419	5.0
70.87371	1.8
79.05482	0.9
81.03408	3.0
85.02434	1.6
85.02903	21.1
91.03899	1.2
91.05466	14.3
95.04951	3.6
97.02876	6.1
109.02834	1.4
109.36404	0.8
112.47541	0.8
119.04935	12.8
123.04403	6.9
126.05502	1.0
127.03886	3.7
135.44493	0.9
136.05197	1.4
136.06154	1.4
137.06006	1.0
139.03876	4.0
145.04907	4.9
147.04451	1.7
149.02313	0.9
151.07529	100.0
154.04976	2.6
155.03362	1.1
163.03896	1.1
164.07069	1.0
165.09149	1.8
166.04935	1.6
168.06477	1.3
169.08582	7.9
179.03372	1.0
180.06540	2.5
180.08614	1.3
193.08611	2.5
196.06018	1.3
208.06090	1.5
237.71597	0.9
259.09375	1.9
273.10733	3.0
277.10858	2.2
278.74738	0.9
348.10846	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	348.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91303	1.2
53.03944	1.9
55.01862	2.0
55.05507	2.7
57.03427	2.5
57.70474	1.0
60.68200	1.1
61.02919	3.5
67.05486	2.2
69.03423	5.7
70.95810	3.2
71.04955	1.8
73.02916	1.5
75.54100	1.0
79.05477	1.5
81.03410	3.7
81.07066	2.1
81.85210	1.0
84.04510	1.8
85.02899	22.7
86.09676	1.5
91.05476	14.2
93.07027	2.6
95.04964	3.6
95.08606	1.6
97.02896	7.9
99.04444	1.9
105.07033	2.5
107.08580	2.5
108.08933	1.6
109.02872	2.7
111.93241	1.1
114.16726	1.1
119.04928	12.4
119.08554	1.4
121.06554	1.2
121.42090	1.3
123.04430	2.1
123.08121	1.4
127.03922	4.6
133.10098	1.6
136.05185	2.3
136.06110	1.8
137.05965	1.7
138.09097	2.3
139.03900	1.6
145.04964	5.1
147.04402	1.3
151.07529	100.0
152.07899	1.8
165.09198	1.1
166.05005	1.8
168.06618	1.9
168.10162	4.0
169.08554	6.9
169.12276	1.2
186.11227	9.1
188.03822	1.3
241.08598	1.2
258.93225	1.1
305.33032	1.3
348.13348	10.4
348.17361	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.4
56.96557	11.6
57.03423	6.1
58.99873	1.5
61.02906	6.4
68.98288	1.5
69.03426	13.2
71.04103	3.4
71.04444	2.0
71.04975	2.8
73.02903	4.7
77.00871	3.4
81.03401	6.5
82.99838	3.1
84.08121	1.8
84.96019	2.2
85.02901	27.0
86.03238	1.7
87.04461	4.4
89.00876	2.1
97.02886	14.2
98.05075	1.7
98.97571	15.2
99.04456	2.8
101.00872	38.0
103.02455	2.2
105.00333	3.3
109.02876	4.6
110.97568	4.1
113.00848	10.3
115.02428	4.6
115.55741	1.6
116.98610	7.9
117.30170	1.6
119.01910	100.0
119.04942	2.7
120.02012	3.6
121.01576	2.2
127.02456	1.6
127.03909	9.1
128.98575	4.3
131.01898	56.3
132.02051	2.6
132.75429	1.6
133.03433	15.9
137.02971	8.8
137.05956	4.8
142.03526	2.0
143.00140	2.8
143.01875	16.6
143.02870	2.6
144.98102	1.6
144.99797	6.3
145.03430	11.0
145.04887	3.6
146.99643	2.7
149.01135	1.9
149.02921	11.6
151.04544	2.0
155.01865	11.2
157.03430	5.4
158.99667	4.4
161.01401	3.0
161.02948	24.7
163.02736	2.6
167.07063	2.1
168.99815	28.6
169.03439	4.2
169.06744	2.7
170.99655	3.5
171.05074	2.7
172.99272	3.6
173.02972	22.9
177.00783	2.2
177.02464	3.3
177.04102	3.3
177.54318	2.4
180.99846	4.5
182.03308	2.1
182.99731	1.8
185.02940	7.5
186.04674	6.8
186.54837	4.2
187.00862	39.8
187.04497	7.0
187.07942	2.1
188.01056	2.1
188.03781	5.2
189.00729	5.0
191.02339	1.9
191.03868	9.1
196.99309	18.9
199.00876	19.1
200.04420	2.5
201.00702	2.6
201.02388	3.5
203.03984	6.9
205.00194	2.7
205.01935	2.5
210.02579	2.8
213.02406	5.8
215.00356	86.7
216.00583	4.2
217.01949	4.0
219.01709	6.2
219.03514	6.6
221.03159	2.4
221.05025	11.3
223.00952	1.7
227.00351	4.7
229.01900	31.1
229.03958	2.5
231.03505	7.5
233.01418	5.8
237.02783	6.9
238.01984	2.8
239.06102	11.1
241.01872	7.5
245.01451	4.5
245.04938	2.8
247.02963	93.2
248.03197	4.3
253.03784	2.1
258.56863	4.1
259.02994	17.0
259.06558	8.7
261.02652	2.2
267.57462	4.3
268.07178	8.6
270.04572	7.1
271.05112	1.7
275.02582	1.9
277.04068	7.3
287.06100	2.0
289.03976	17.0
307.04935	2.3
317.03476	17.4
349.05978	6.1
349.10175	4.8
349.14081	1.7
355.07104	4.2
373.08157	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.1
55.01863	1.7
55.05490	1.2
56.96294	2.2
56.96560	30.0
57.03432	2.2
58.21400	1.1
61.02919	3.5
62.56459	1.1
69.03427	10.3
69.86823	7.0
70.06560	1.5
70.98103	1.9
71.04987	1.6
71.95260	2.2
73.02908	2.7
74.97622	1.5
79.05444	1.1
79.63562	1.0
81.03396	3.5
81.07037	1.3
84.08134	1.7
84.96024	6.6
85.02902	17.1
85.06496	1.1
87.04439	2.3
91.03949	1.8
91.05486	2.1
94.06561	1.4
95.04975	1.2
97.02888	10.4
98.20783	1.4
98.97578	100.0
99.04445	1.6
100.99123	1.5
101.00894	6.4
103.00602	1.3
107.04953	1.5
109.02859	3.7
110.97549	6.9
112.99126	2.0
113.00913	1.5
115.02435	1.6
116.98611	64.8
119.01910	24.5
119.04921	4.1
121.01669	2.4
121.38155	1.1
122.06044	7.6
123.04402	1.7
123.06312	6.5
127.03922	5.9
128.98605	13.2
131.00188	2.0
131.01910	9.5
133.01752	1.8
133.03484	5.4
134.99643	35.7
135.04355	2.7
137.02942	3.6
137.05974	5.9
138.05508	4.1
139.03917	1.4
139.05869	3.3
140.00223	2.1
143.00116	3.8
143.01862	6.6
144.98091	1.3
145.01682	5.0
145.03455	4.9
145.04959	1.3
146.03638	1.5
146.99644	13.8
147.04337	8.0
149.01251	2.4
150.05515	7.9
151.05820	9.5
152.06847	2.5
153.00699	4.6
155.01926	5.7
157.01657	1.2
157.03432	3.5
158.99648	39.4
159.03258	2.8
159.04948	1.4
161.01248	4.9
161.02951	17.3
161.04434	1.5
162.99129	2.8
163.02722	7.5
163.03944	4.8
165.00664	6.0
165.04204	1.5
168.05124	1.7
168.06512	10.6
168.99864	4.3
169.01692	2.3
169.03427	1.5
169.06905	10.6
170.05116	7.6
170.99644	2.6
171.05014	2.5
173.02945	7.8
174.99164	2.8
175.00854	1.2
175.04472	3.7
177.00705	59.1
177.04111	5.6
179.02281	2.2
185.02948	3.5
186.07623	1.5
186.99254	2.1
187.00887	6.6
187.02734	8.6
187.04509	7.6
187.08078	3.4
188.97034	1.2
189.00700	4.7
189.02338	1.4
189.05992	1.9
190.98627	4.4
191.02237	2.4
191.03893	2.4
193.00168	5.2
195.01790	7.0
196.99301	2.2
197.01170	1.2
197.02994	1.3
199.00951	1.6
199.02771	1.8
199.04494	2.8
200.02303	4.5
201.00722	3.7
201.02414	2.6
203.03969	2.8
203.07588	1.6
205.00209	4.4
205.03784	5.1
205.05574	2.3
208.99736	2.2
211.02754	2.0
215.00381	12.8
215.02292	2.3
217.03752	2.5
219.01741	35.8
219.03442	2.7
219.05225	1.8
221.05040	5.2
223.01176	4.1
229.01933	2.7
229.03813	13.6
229.05658	4.6
231.03481	2.3
237.00479	2.0
237.02777	29.9
237.05096	1.6
239.06064	1.4
242.03409	1.8
245.05049	4.4
247.02866	11.2
255.01689	1.5
259.06345	6.0
260.04468	2.1
265.05545	1.5
268.06866	1.5
279.03687	6.7
289.05984	4.3
303.07526	4.6
307.06757	11.6
309.08978	1.2
321.08386	9.7
339.09631	1.6
349.08054	5.9
349.13382	8.2
367.08707	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	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	14.9
53.76692	4.6
55.01865	21.3
55.05502	31.8
57.03429	21.7
58.78605	4.7
67.05499	76.5
69.03406	6.9
69.07062	67.1
71.04970	9.4
71.52576	4.4
73.65022	3.9
79.05480	56.1
81.03408	39.5
81.06597	5.6
81.07048	92.0
83.04966	14.8
83.08599	11.6
85.02863	3.7
85.06532	5.1
90.28111	3.3
91.05473	76.0
93.07030	64.3
95.01327	21.1
95.04954	24.3
95.08595	64.2
97.06519	26.1
97.10146	6.0
99.08085	6.1
105.07017	100.0
107.04933	40.9
107.08574	29.3
109.06490	5.0
109.10137	17.6
111.08043	6.6
117.07019	26.9
119.08575	55.3
121.06488	6.9
121.10099	14.3
123.04424	5.7
123.08051	16.0
123.11697	4.4
125.09638	5.7
129.06976	10.7
131.08553	44.7
133.06450	5.5
133.10117	64.7
135.08009	7.9
135.11661	17.2
137.09616	8.0
141.07001	4.6
143.08536	5.5
145.06438	8.0
145.10123	22.8
147.11665	24.8
149.09599	13.5
149.13219	12.2
151.11211	5.2
156.40056	3.5
157.10033	5.7
159.08095	7.8
159.11658	20.2
161.13242	8.0
163.11136	9.1
165.05464	5.7
165.09093	12.7
169.10040	6.3
171.11632	5.8
174.06812	4.4
177.12698	5.6
179.10683	4.4
179.14278	34.8
181.04953	6.1
183.11688	5.9
187.11177	5.0
189.09045	14.7
197.13300	4.8
205.12296	7.8
215.10675	6.7
217.08632	6.9
219.17339	5.1
241.14394	4.6
245.08006	4.3
257.15466	4.0
257.19003	11.9
275.20059	60.3
349.16650	3.7
349.23654	40.5
349.27576	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	16.2
55.01862	19.4
55.05509	32.6
57.03430	21.0
67.05503	75.5
69.06727	5.4
69.07060	57.4
71.04997	4.5
71.53266	6.0
73.02923	5.0
76.59868	4.8
79.05490	65.5
81.03407	19.5
81.07052	100.0
83.04976	13.3
83.08604	14.9
85.02878	4.9
85.06511	5.5
88.39170	5.0
91.03930	5.6
91.05472	95.1
93.07034	71.7
95.01295	10.3
95.04957	18.3
95.08603	72.7
97.02877	6.6
97.06512	22.6
97.10145	7.3
105.07019	95.9
107.04926	33.2
107.08572	38.4
109.06520	18.7
109.10133	20.1
117.06997	23.6
119.08572	52.3
119.19471	4.5
121.06483	8.0
121.10130	17.3
123.04406	5.2
123.08031	23.4
123.11729	6.3
125.09622	5.4
129.06940	8.2
131.08565	41.5
133.10118	54.0
135.08070	9.6
135.11679	17.8
137.09627	5.0
141.06964	5.5
143.08578	8.8
145.06508	8.9
145.10110	33.4
147.11659	27.1
149.09599	15.8
157.10056	7.1
159.11703	22.2
163.11162	7.1
171.11777	9.7
173.13280	10.1
177.12747	13.8
179.14279	37.7
183.11563	8.4
183.51744	4.9
187.11182	8.4
197.13133	6.1
219.17368	6.6
239.17857	7.4
257.18961	14.0
275.20071	65.2
293.21167	5.0
301.19839	5.3
349.23627	70.1
349.27466	23.2
349.33786	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49223	2.9
53.03937	21.4
55.01863	26.2
55.05504	31.7
56.96553	3.3
57.03434	24.2
57.07052	3.2
62.26326	2.4
65.03914	4.9
67.05496	81.0
69.03431	5.0
69.07059	73.0
71.04987	7.4
71.53158	3.9
75.72425	2.3
79.05485	72.6
81.03408	33.0
81.07047	95.4
83.04969	15.9
83.08605	11.1
85.06535	5.4
85.89497	3.0
91.04900	4.5
91.05469	80.3
92.05791	2.7
93.07034	72.5
95.01299	22.2
95.04951	27.9
95.08598	70.1
96.07540	2.7
97.06516	37.6
97.10149	8.1
99.04449	2.7
105.07014	100.0
107.04942	48.3
107.08578	36.1
109.02862	4.0
109.06511	13.1
109.10131	19.5
111.08116	6.8
115.05470	2.9
117.07005	29.6
119.08566	58.6
121.06493	9.5
121.10125	16.5
123.04419	5.5
123.08051	19.6
123.11717	5.2
125.09627	3.2
129.07007	7.6
131.04845	2.9
131.08536	40.0
133.06441	4.8
133.10112	68.9
135.08054	9.2
135.11668	18.4
137.09593	5.8
139.07521	3.1
141.06964	4.1
143.08575	9.8
145.06471	7.8
145.10117	38.2
147.08022	4.2
147.11670	30.8
149.09589	14.3
149.13251	11.4
151.11174	4.8
157.10158	7.6
159.11679	31.7
161.13235	14.2
163.11171	8.5
165.09065	4.7
167.07043	3.1
169.10121	4.5
171.11691	5.9
173.13216	6.5
177.12755	8.8
179.14287	38.5
181.05014	4.1
183.11769	5.6
187.11140	8.0
187.14806	3.2
191.14417	2.9
193.12267	3.3
195.11916	2.7
195.13799	3.2
197.13095	3.5
205.12186	3.9
218.30183	2.7
229.19557	4.0
239.17996	5.7
241.14264	3.7
247.20549	5.3
257.18851	13.0
257.26581	3.8
275.20029	73.3
285.10028	7.2
349.23889	37.2
349.27637	6.1
349.31387	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	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.13200	0.5
55.01868	1.3
55.05504	6.0
57.07061	1.4
57.10799	0.4
67.05498	4.8
69.07063	9.4
70.27789	1.3
70.28217	0.8
71.04975	1.0
71.08607	0.6
73.06552	0.7
79.05482	3.8
81.07050	7.1
83.04986	0.8
83.08617	4.0
85.06515	0.6
86.54259	0.6
91.05479	2.5
93.07036	5.2
95.04950	1.1
95.08599	6.9
97.06514	1.8
97.10175	1.2
99.08097	0.5
105.07027	2.8
107.08585	5.4
107.58288	0.5
109.06512	11.8
109.10149	2.4
110.69696	0.4
111.08067	2.2
114.80110	0.5
119.08583	3.7
121.06468	0.5
121.10149	3.2
123.08060	64.6
123.11697	1.5
124.08413	1.2
125.09644	0.9
131.08543	0.8
133.10094	3.1
135.08038	5.0
135.11688	1.5
137.09639	3.8
145.10141	1.2
147.11690	1.5
149.09625	1.3
149.13278	2.3
151.11226	0.6
159.11670	1.0
161.13237	0.9
175.14769	0.8
179.14294	9.7
233.19012	0.6
246.35164	0.5
261.87088	0.5
266.16592	0.5
266.89340	0.4
275.20160	1.4
278.42950	0.4
289.25302	1.4
293.21094	16.2
294.21500	1.0
303.26855	0.7
307.22812	1.0
331.26401	4.2
349.27356	100.0
350.27661	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2734
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03925	0.5
55.01854	0.9
55.05507	6.3
57.03418	0.6
57.07066	1.4
65.03933	0.6
67.05499	7.0
69.07063	14.1
71.04974	1.5
71.08597	0.8
71.19821	0.8
73.06540	0.8
79.05477	5.0
81.07047	10.4
83.04951	0.9
83.08596	4.2
86.18075	0.5
91.05474	2.8
93.07041	6.7
95.04969	1.3
95.08603	8.4
97.06517	1.8
97.10152	0.7
99.08086	0.8
105.07007	4.3
106.26480	0.6
107.08575	6.2
109.06514	11.9
109.10154	4.4
111.08049	1.9
117.07081	0.6
119.08580	4.5
121.06500	0.7
121.10139	4.3
122.07291	0.9
122.30634	0.6
123.08056	71.4
123.11672	1.8
124.08560	0.7
125.09549	0.6
131.08551	1.1
133.10136	2.8
135.08049	4.4
135.11668	2.0
137.09586	3.1
145.10121	1.5
147.11646	2.1
149.09589	1.4
149.13245	1.9
159.11678	1.7
161.13239	1.5
163.11166	0.7
167.14281	0.7
173.13362	0.6
175.14838	0.7
177.12691	0.8
179.14279	7.1
184.01315	0.6
225.16791	0.7
263.19876	0.6
275.20047	1.8
289.25381	1.1
293.21082	17.5
303.26843	0.7
307.22647	1.0
307.58795	0.6
331.26321	3.7
349.27341	100.0
350.27652	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	350.09
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20473	0.7
51.16801	0.6
53.03945	1.3
57.03427	1.4
69.03403	3.0
69.07102	0.6
70.06590	0.8
71.04970	1.2
71.52919	0.7
76.27398	0.5
81.03407	2.6
85.01110	1.2
85.02880	2.2
91.05448	0.8
97.02889	14.5
99.04435	1.1
100.42448	0.6
109.02898	3.5
112.02157	2.6
115.05407	0.7
118.06509	0.7
127.03924	4.1
130.06522	1.9
140.01645	2.6
145.04887	1.2
158.02684	1.5
160.07513	0.8
160.40045	0.6
170.02695	7.8
170.05995	3.4
188.03755	100.0
189.04024	1.0
267.62827	0.7
296.05814	0.6
314.06903	11.6
321.31039	0.7
321.54993	0.6
332.07980	2.2
350.12354	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	350.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01845	0.3
55.05494	0.2
57.03413	0.7
64.92131	0.2
65.03915	0.5
69.03419	1.7
70.06587	0.2
70.99569	0.4
71.04989	0.3
71.51881	0.5
73.02897	0.4
80.05023	0.2
81.03402	1.4
81.06998	0.3
85.01133	1.4
85.02897	5.2
97.02878	3.4
98.97544	0.3
99.04430	0.6
103.02137	0.8
103.03910	0.3
104.80776	0.2
109.02872	2.2
111.04382	0.3
112.02171	2.2
112.20671	0.2
113.02965	0.4
119.04961	0.3
121.06460	0.4
123.04475	0.4
125.02265	0.3
127.03908	1.9
137.06000	0.4
139.03882	0.3
140.01602	2.0
140.07036	0.3
144.04742	0.6
147.04379	0.9
157.01945	0.6
158.02679	1.0
163.03850	0.3
170.02687	7.2
170.11819	0.4
170.38936	0.2
176.07086	0.4
188.03741	100.0
189.04050	0.9
204.08607	0.4
211.88286	0.2
220.53667	0.3
222.07579	0.3
230.04776	2.2
252.06830	0.6
268.06369	0.3
272.12997	0.4
296.05902	1.8
314.06894	6.1
332.07910	2.3
332.15253	0.4
350.08963	5.9
350.15955	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.8
61.02924	5.0
62.41497	3.6
65.03937	9.2
68.06197	3.9
69.03420	18.8
70.06570	8.3
70.87479	10.0
71.04984	4.6
81.03417	7.1
81.07011	5.0
81.50910	3.4
83.04968	10.6
85.02902	31.9
85.36420	3.9
87.04461	4.1
93.28725	3.5
97.02912	13.5
98.97606	4.9
108.87021	3.7
109.02855	6.6
111.04420	37.0
127.03881	7.2
137.05927	4.0
139.03891	82.8
142.03242	4.8
162.24266	3.8
163.03885	7.9
170.02682	8.1
171.06506	94.1
171.07866	6.6
188.03752	100.0
211.51822	3.7
255.69708	4.0
332.07941	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	350.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32708	3.2
55.01864	3.8
61.02901	2.7
69.03410	11.9
69.92377	9.6
70.06566	2.9
81.03401	5.4
83.80863	3.5
84.48775	2.8
85.02903	28.8
91.05470	17.7
93.36319	2.6
97.02879	11.7
99.04476	3.8
107.04923	6.4
109.02853	4.7
119.04929	9.1
127.03857	6.6
135.04424	6.8
137.05971	100.0
145.04945	7.1
147.04356	3.1
149.05988	3.6
151.33842	3.2
153.05464	64.4
155.06967	5.8
167.06969	4.6
170.02678	3.4
171.06512	26.5
179.06917	3.4
188.03769	60.0
237.02785	3.8
314.06979	4.6
332.08008	3.3
350.08853	3.4
350.14688	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	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96788	2.1
55.05489	2.9
59.04986	3.9
67.05489	5.0
69.03411	3.9
69.07056	5.0
69.50954	8.6
69.51389	10.5
71.04972	2.5
75.57700	2.3
79.05486	3.1
81.03404	4.7
81.07042	3.5
85.02888	13.9
89.88683	2.2
91.05460	6.7
93.06474	4.4
93.07034	59.4
95.08599	47.8
105.07056	3.4
107.08585	55.1
109.02834	5.7
109.10117	3.3
119.04957	2.8
120.08153	3.4
127.03876	3.9
135.11685	100.0
135.12720	5.0
145.04941	6.9
148.62010	2.4
153.12714	26.0
163.06044	3.7
188.03734	6.9
204.08624	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	350.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54201	2.5
55.05493	6.5
57.03435	3.5
61.02939	3.2
67.05484	4.9
69.03416	10.6
69.07059	10.8
69.87731	3.1
70.06580	3.0
71.04972	3.8
71.52589	4.9
73.60701	2.4
78.92267	2.5
79.05488	22.1
80.45733	2.6
81.03402	7.6
81.07050	9.9
81.64744	2.4
83.08546	2.9
85.02893	37.7
91.05488	9.0
93.07043	41.2
95.08588	3.8
97.02891	12.1
97.06525	23.8
100.11253	8.2
105.07040	5.1
107.08591	30.2
109.02890	5.6
109.10145	5.9
119.08614	4.4
120.08102	3.2
127.03908	10.1
133.10107	5.2
135.11679	100.0
137.13190	2.8
145.04967	9.6
153.12727	13.4
163.06021	2.7
168.66956	2.5
171.49597	2.9
173.68936	2.5
175.14737	4.8
188.03749	8.8
207.06561	6.6
227.67772	3.3
277.22995	6.0
300.10257	3.0
351.10712	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	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45755	2.0
53.03921	2.1
55.05519	4.3
59.04979	5.1
61.84759	2.2
67.05486	3.3
69.03442	4.6
69.07064	2.4
70.45037	2.6
71.52068	2.9
71.52463	2.2
73.28597	2.0
79.05472	3.3
81.03405	5.8
81.07046	2.3
82.52534	2.2
85.02915	17.7
91.05505	10.4
93.06483	3.8
93.07043	60.6
95.08604	51.0
97.02921	3.6
105.07028	3.6
107.08589	54.8
109.02855	4.2
109.10123	2.2
122.52715	1.9
127.03896	6.1
130.98434	2.2
135.11682	100.0
136.11998	3.3
145.04916	7.7
147.04413	2.2
153.12729	23.8
163.05989	3.0
184.04071	2.0
188.03757	7.2
207.06445	4.3
252.18877	2.3
279.15756	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	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.5
55.05497	16.6
56.13437	5.9
59.04978	9.3
67.05487	21.9
67.83319	4.7
67.85332	5.3
69.03435	10.4
69.07063	66.1
69.31950	51.5
71.04962	9.8
71.83492	5.0
79.05487	13.4
81.03394	14.8
81.07043	25.1
83.04957	9.2
83.08585	7.8
85.02897	25.6
85.06536	15.5
91.04927	6.5
91.05469	28.3
93.06475	7.8
93.07037	100.0
95.08599	64.7
97.06514	22.7
98.21548	10.3
105.07014	14.4
107.08597	84.4
109.02854	6.0
109.10128	54.6
119.04893	7.0
123.11729	5.5
127.03925	6.6
133.00497	4.7
135.11694	90.3
137.05959	15.3
139.03886	5.9
140.11810	5.9
147.04391	7.2
153.12704	29.7
161.05956	13.9
175.03813	8.5
175.24052	5.5
207.06552	14.6
225.09225	9.4
272.54764	6.5
351.11853	10.1
351.15933	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	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	9.7
69.07058	24.7
69.46271	64.8
76.31272	7.3
81.07057	13.0
85.02887	30.6
91.05494	11.7
91.86489	7.3
93.07038	100.0
95.08586	21.6
97.06522	12.2
98.21561	16.8
101.50381	7.2
107.08577	56.2
109.10139	12.4
133.11124	7.5
135.11685	74.8
145.04922	7.9
149.92453	7.2
153.12744	29.6
217.83441	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	350.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.01864	2.8
55.05503	12.3
55.13910	1.0
57.03431	3.6
57.07076	2.1
59.04995	2.3
59.44923	1.0
61.02921	5.7
64.54336	1.1
65.03938	2.1
65.16470	1.1
67.05505	6.3
69.03433	9.2
69.07063	35.8
69.65362	4.7
69.65768	2.9
69.73331	1.0
71.04981	2.8
73.02896	3.1
79.05485	7.6
81.03414	6.5
81.07050	16.4
81.32741	1.1
83.04968	2.6
83.08617	2.4
83.54626	1.3
85.02901	47.4
85.06526	3.6
85.91428	1.0
86.72294	1.2
91.03945	2.7
91.05475	20.8
93.07037	100.0
94.07389	1.5
95.04961	3.7
95.08604	17.6
97.02878	11.8
97.06530	9.1
99.04443	2.4
105.07024	7.5
107.08585	62.7
108.08936	1.7
109.02882	5.3
109.06505	3.0
109.10146	12.6
115.19362	1.2
119.08589	3.2
120.09334	1.4
123.11707	2.2
127.03914	8.9
128.52402	1.2
135.11681	77.7
136.12080	1.7
137.13254	4.7
145.04939	11.0
147.04439	1.2
153.12744	21.8
163.06052	2.4
174.06720	1.1
188.03818	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	350.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.05507	10.5
55.84467	2.3
57.03437	4.5
57.07064	3.1
59.04990	3.3
61.02910	3.3
67.05499	8.1
69.03429	14.0
69.07065	34.5
69.98963	4.6
69.99353	6.4
71.04999	4.6
72.57178	2.6
73.02897	3.5
75.91335	2.8
79.05499	10.4
81.03409	6.4
81.07043	20.3
83.04966	4.4
85.02897	42.8
85.06514	3.7
91.05466	13.6
93.07035	89.0
95.08608	25.0
97.02887	15.3
97.06507	7.7
105.07043	4.9
107.08587	62.5
109.02869	4.1
109.10133	20.5
127.03905	7.5
135.11676	100.0
137.13219	6.2
145.04964	12.4
153.12714	35.8
159.83240	3.1
163.06042	2.7
207.06558	2.8
224.83043	2.4
371.39969	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78509	0.6
54.81703	0.5
56.96292	0.8
56.96558	10.2
58.41725	0.5
67.69229	0.5
68.96552	0.6
70.71174	1.4
70.71529	0.5
71.95280	0.6
84.96039	3.0
85.02901	0.9
85.05460	0.5
92.80034	0.5
98.97575	100.0
99.97913	0.8
110.97559	7.0
112.99122	1.0
116.98609	37.2
127.00639	0.5
128.98601	6.4
129.02208	1.2
131.00204	1.1
134.99635	8.4
137.19104	0.5
140.00185	1.0
140.98602	0.9
143.00133	1.7
144.98093	0.9
145.01677	2.1
146.99651	3.4
147.03281	2.1
152.98552	1.5
154.46028	0.5
158.99641	38.1
161.01154	2.0
162.99091	0.9
163.02771	1.6
165.00565	0.8
165.04366	1.5
170.99634	2.4
171.03311	3.0
175.02766	0.7
177.00699	33.1
178.01105	0.7
189.00735	1.1
189.04315	12.0
193.03711	0.6
195.01715	2.1
200.02269	1.3
201.00778	1.0
201.04347	0.8
207.05406	2.7
212.05919	0.6
219.01723	9.6
231.05353	2.2
237.02806	14.3
237.05128	0.8
242.03288	0.6
255.03822	0.9
291.07465	20.8
304.12592	0.6
309.08539	75.9
310.08917	2.2
323.75699	0.7
332.10037	3.0
351.09570	25.6
352.10086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05924	0.5
56.96560	5.1
57.03404	1.4
58.99826	1.3
61.02907	0.8
69.03381	2.1
69.82430	1.1
69.82843	3.1
71.04963	0.7
73.02878	1.3
74.97639	0.7
80.49568	0.6
81.03362	1.5
84.95992	0.8
85.01361	0.8
85.02859	2.8
91.03941	0.8
92.43188	0.6
94.99845	1.0
97.02847	3.0
98.97566	11.6
101.00841	4.5
101.02373	0.7
103.02407	2.0
110.97575	3.1
112.99074	2.0
113.00847	3.6
115.02395	2.3
116.68097	0.7
116.98593	3.9
117.03947	2.0
119.01897	7.3
121.03465	0.9
122.94393	0.7
125.57800	0.6
127.00697	1.0
127.02345	1.0
127.03886	1.2
128.98576	4.2
129.03943	3.6
131.00183	1.7
131.01889	10.1
132.02730	0.7
133.03456	4.0
134.99600	1.4
135.05014	1.3
137.02884	0.8
140.98499	0.9
143.00148	1.1
143.01793	1.5
145.01701	1.3
145.03462	6.7
146.99612	1.6
147.03183	1.1
147.05020	33.4
148.05197	1.9
149.01189	1.0
149.02939	0.9
152.98573	1.1
153.03952	1.9
155.01915	5.4
155.05412	1.1
156.02673	1.2
157.03413	2.2
158.99652	3.9
159.05009	5.2
161.02965	1.9
162.03026	1.1
162.99118	0.8
163.02766	1.8
163.04393	1.1
165.04123	1.0
165.04669	1.0
165.06073	10.8
170.99583	0.9
171.03470	1.4
171.04999	13.7
173.02963	5.7
173.06570	2.0
175.04478	2.5
177.00677	2.4
177.06059	0.9
178.04851	1.1
181.03653	0.9
183.04956	6.9
183.06165	0.6
185.02933	1.2
185.06581	4.0
187.04509	0.9
189.00719	1.0
189.04498	1.6
189.06055	46.4
190.06212	2.5
193.03670	0.7
195.05080	1.5
196.02139	1.1
197.02914	0.9
197.06575	1.7
199.04523	1.0
201.00797	1.1
201.06062	35.4
203.04021	2.2
203.07591	8.5
207.05197	2.8
207.07039	0.9
213.06049	4.8
215.07652	2.2
219.01721	6.0
221.03050	0.5
221.05035	12.4
225.06073	10.4
225.08215	1.1
229.05611	1.0
231.07066	5.8
233.08743	1.0
237.02838	8.9
243.07225	1.7
245.04991	2.3
247.06625	0.9
249.02934	1.1
249.08293	1.1
255.04243	0.8
255.07056	1.1
261.08380	3.2
263.06073	0.7
265.05930	1.4
273.08041	3.6
275.04120	0.8
279.09146	1.3
283.06894	0.8
291.09286	100.0
292.09491	6.3
293.05386	1.6
295.06839	0.9
305.10764	0.9
309.10822	15.5
310.10635	0.7
321.10190	1.0
351.11392	28.6
352.11429	1.6
369.06985	0.8
369.11118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.05495	2.6
56.29055	0.4
67.05492	0.5
68.62345	0.3
69.03426	1.9
69.03748	0.5
69.07043	0.3
70.57972	1.3
71.04976	1.8
73.06547	3.1
81.03392	1.3
85.02900	2.9
89.06018	4.0
97.02876	3.2
99.04436	1.0
101.06007	2.8
107.03625	0.4
107.08559	0.5
109.02868	0.5
123.04398	0.7
127.03904	1.8
135.11876	0.3
145.04999	0.7
157.08588	0.8
175.08636	1.5
187.08652	0.6
188.09317	0.7
189.10246	0.9
199.08533	3.0
200.09416	7.9
201.10210	8.7
202.10878	0.6
212.09367	0.6
213.10207	7.8
214.10988	5.9
215.11766	20.9
216.12511	1.7
217.09621	1.9
218.10326	0.4
219.11267	9.8
225.10336	0.5
225.13783	0.6
226.10959	2.1
227.11798	1.3
228.08914	0.7
228.12512	3.3
229.08751	0.4
231.11327	2.9
232.11925	0.5
241.09750	2.5
241.13335	5.7
242.10469	13.1
242.14044	0.6
243.11240	2.4
245.09222	1.3
254.10423	1.1
255.11241	0.9
256.12000	3.9
259.10724	3.8
260.11560	4.4
261.12393	1.2
269.12827	4.9
270.13467	0.4
271.14450	1.0
272.11545	1.1
274.13135	0.8
277.11731	3.2
280.11984	0.6
282.10110	0.6
287.13852	3.1
289.12653	0.6
289.15555	0.9
297.12317	6.7
300.10919	3.0
315.13354	19.3
316.13651	0.7
333.14420	19.5
334.14612	0.6
351.15466	100.0
352.15729	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41690	0.5
53.03911	0.4
53.91012	0.4
55.01840	0.5
55.05487	1.4
57.03419	0.5
57.86121	0.4
61.09657	0.4
66.71893	0.5
67.05465	1.2
69.03407	1.1
69.07034	1.6
71.04993	0.6
71.53378	0.5
79.05459	1.7
81.03385	2.3
81.07047	3.7
83.04955	0.6
88.33774	0.4
91.05450	2.0
93.07018	1.7
95.04939	0.8
95.08588	2.7
97.06525	0.8
97.10130	0.6
101.05978	0.7
105.07029	4.3
106.07263	0.4
107.04932	0.5
107.08569	2.0
109.02859	0.8
109.06494	0.9
109.10114	1.2
117.06956	0.6
119.04926	1.1
119.08544	1.5
121.10110	1.2
123.08045	0.6
123.11682	0.7
125.05851	0.5
127.03894	0.8
131.08562	1.0
133.06451	0.5
133.10109	2.0
135.04437	0.7
135.11674	0.6
137.05922	0.6
143.08516	0.9
145.10046	0.6
147.04402	1.2
147.11610	1.1
151.07518	1.0
157.10164	0.5
159.11646	0.7
161.05966	1.2
161.09560	1.8
161.13260	0.6
163.07436	0.6
163.11208	0.5
175.03850	1.6
175.07497	1.1
179.10583	0.7
189.08990	0.6
190.07782	0.5
201.09134	0.5
202.07756	0.9
203.08510	0.8
207.06482	1.7
213.09071	0.8
215.08582	1.2
216.09357	1.1
218.07266	1.1
219.08008	2.1
231.07994	4.7
232.08777	2.5
233.09598	4.6
234.10353	3.4
235.07593	2.2
235.11082	1.0
244.08710	1.2
245.09612	4.1
246.10352	6.0
247.07564	7.4
247.11102	3.5
248.08026	1.5
249.09084	1.1
249.12735	1.0
250.09782	1.8
258.10294	1.0
259.07431	1.0
259.11096	2.3
259.24414	0.6
260.08252	1.2
260.11642	0.6
261.09091	10.1
261.12131	0.7
262.09854	35.9
263.07031	1.8
263.10327	3.5
265.08377	0.6
265.12253	1.3
273.09009	1.1
274.09811	5.3
275.07016	1.9
275.10577	5.4
276.07767	1.7
276.11359	4.4
277.08578	1.9
277.12164	14.3
278.09375	6.2
278.12250	1.0
279.09735	0.7
289.09021	1.0
289.12177	25.8
290.09308	9.2
290.12585	2.2
291.09964	3.5
292.10760	1.4
293.08337	0.8
293.11618	9.6
303.10104	0.7
304.10925	2.1
305.11679	68.7
306.08771	2.0
306.12100	5.1
307.09433	0.8
307.13120	0.9
319.09464	2.2
319.13293	4.8
320.14029	100.0
321.11133	16.1
321.14468	8.3
322.11618	2.0
333.24365	0.6
335.12656	1.9
336.13498	27.9
337.13867	2.0
351.12146	4.3
351.15863	72.5
351.29337	1.6
352.16171	7.7
352.92123	0.5
365.86420	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2009
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.07063	30.3
61.11515	14.7
67.05490	32.1
69.03412	41.1
69.07057	50.4
71.04985	89.2
71.52110	23.4
79.05477	28.7
81.03417	29.8
81.07051	81.5
83.04990	19.6
85.02898	91.9
85.06512	31.8
91.05465	43.6
93.07034	64.3
95.04937	24.6
95.08595	26.2
97.02888	30.1
97.06514	46.4
97.67197	19.5
99.04472	15.7
99.08142	15.1
101.75471	16.0
105.07006	32.0
107.08566	74.3
109.02862	36.6
109.10112	46.8
112.42214	14.7
119.08604	25.0
123.04414	23.9
123.11703	39.6
127.03913	41.2
127.11184	42.7
131.08597	19.9
135.11652	76.5
137.05928	20.7
137.09531	15.9
139.03899	56.8
140.04269	29.4
141.12697	32.7
145.05005	16.5
145.10126	22.0
147.07983	21.8
149.09492	20.9
153.12701	71.6
169.12279	51.0
171.13770	100.0
175.07552	19.7
189.12674	21.3
189.14861	20.2
195.08517	24.0
207.06621	17.1
220.12042	21.7
242.88214	15.0
265.70343	16.1
279.15787	18.2
297.16824	25.4
315.17676	16.7
351.10638	37.9
351.18250	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.201
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.05502	14.4
59.66544	15.4
62.08088	14.6
63.76817	13.2
67.05486	30.1
69.03414	33.2
69.07041	44.5
69.60167	74.2
69.60581	34.7
71.04991	94.4
79.05473	17.4
81.03381	41.5
81.07038	64.4
83.04961	23.4
85.02880	100.0
91.05469	36.0
92.69624	16.5
93.07027	78.3
95.04951	23.2
95.08586	20.2
97.02874	24.9
97.06507	45.3
99.08073	37.3
105.07005	42.5
107.08581	54.4
109.02868	23.3
109.10190	34.3
117.05719	13.7
119.08573	24.5
123.08029	18.2
123.11703	18.7
125.05919	15.9
125.09579	15.6
127.03895	22.2
127.11184	20.1
131.08539	23.2
135.11638	37.3
137.09599	18.0
141.12727	23.5
147.08014	34.1
149.09540	23.6
151.11125	20.5
153.12682	88.9
161.09557	20.5
165.12628	17.3
169.12218	83.2
171.13719	72.9
173.09633	23.5
181.12280	23.6
189.15012	15.7
207.13745	17.0
230.56918	18.5
249.14847	17.1
251.34227	14.6
297.16934	17.0
311.11340	19.2
315.18274	22.4
351.12305	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60728	1.3
53.03937	4.2
55.01852	1.8
55.05509	17.9
57.03432	9.4
57.07065	2.9
65.03933	3.0
67.05130	2.8
67.05498	54.0
69.07057	18.9
69.42634	1.6
71.04977	5.0
71.08610	2.9
71.41569	3.2
75.04462	1.5
77.03925	1.8
79.05483	78.4
80.05799	1.7
81.07050	67.9
83.04967	4.1
83.08618	10.1
85.06524	6.1
89.05993	1.6
91.05473	59.4
93.07035	100.0
93.48114	1.3
95.04958	7.4
95.08594	45.5
97.06525	4.2
97.10146	3.3
99.08080	4.4
103.05452	2.8
105.07021	62.3
107.08582	60.6
109.06519	2.1
109.10136	14.7
111.08066	2.3
115.05466	1.5
117.07005	14.2
119.08569	60.4
120.08840	1.6
121.10130	47.9
122.10381	1.7
123.08055	1.7
123.11717	3.7
124.65107	1.3
129.07016	10.9
131.08568	21.5
133.09117	3.1
133.10120	53.4
135.08043	4.4
135.11678	44.1
137.06023	1.3
137.09485	2.2
137.13200	2.1
143.08522	10.3
145.10121	23.0
147.11673	52.3
149.09601	3.1
149.13252	25.3
151.11148	1.5
157.10110	12.5
159.11679	20.5
161.09584	2.1
161.13245	44.1
163.11127	3.6
163.14803	10.5
165.12801	1.3
171.11668	16.2
173.13257	14.7
175.11182	3.8
175.14835	20.2
177.12769	2.6
179.14345	3.3
185.13237	14.0
187.14803	4.2
189.12762	3.9
199.14731	9.1
201.16449	1.9
203.14342	3.1
213.16408	6.0
215.17989	2.3
217.19518	5.4
231.17447	3.7
231.21051	11.5
235.17099	1.6
241.19484	37.8
259.20547	90.1
260.20840	3.2
277.21646	15.0
321.03696	1.4
333.24323	9.1
346.84406	1.5
351.25272	68.6
352.25610	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77287	1.4
52.79272	1.4
53.03937	2.3
55.01863	1.8
55.05510	14.8
55.75607	1.4
57.03418	6.0
57.07065	4.5
57.36120	1.3
63.99668	1.3
65.03898	2.3
67.05497	38.4
69.03388	1.3
69.07061	16.7
69.31112	1.3
70.25788	6.0
71.04963	2.6
71.08618	4.2
79.05490	61.1
81.06578	2.6
81.07050	44.5
83.04982	2.0
83.08604	6.4
85.06517	3.2
91.05470	63.0
92.05813	1.9
93.07037	70.8
94.07361	1.7
95.04950	3.8
95.08601	34.8
97.06517	3.1
97.10153	3.7
99.08081	5.8
100.51646	1.5
105.07020	64.2
107.08583	39.3
109.06493	2.5
109.10128	10.7
111.08070	2.0
111.11694	1.4
112.10983	1.4
113.09579	2.1
115.05460	1.5
117.07003	16.0
119.08572	59.5
121.10132	30.8
123.08079	3.1
123.11686	3.5
127.22457	1.5
129.07005	10.9
131.08565	21.0
133.10115	51.4
135.08098	2.2
135.10686	2.6
135.11688	33.2
137.09673	2.2
139.11179	1.6
143.08545	12.3
145.10121	22.5
147.11678	46.9
149.09523	2.5
149.13245	20.8
150.13574	1.6
151.11183	2.2
157.10110	8.7
159.11674	18.8
161.11980	2.3
161.13246	35.8
163.11192	3.1
163.14767	7.2
168.88112	1.5
171.11668	17.8
173.13274	10.7
175.14819	19.1
177.12750	4.4
179.14287	2.4
185.13213	12.8
187.14804	5.1
189.12672	2.8
199.14793	8.3
213.16403	3.7
213.42744	1.7
217.15848	2.4
217.19574	2.4
231.17468	3.0
231.21066	8.4
241.19482	34.0
242.19899	2.1
259.20566	100.0
260.20950	4.2
277.21582	5.2
293.35519	1.6
307.90073	1.6
333.24374	2.3
351.11786	1.5
351.16193	2.6
351.25278	60.9
352.25571	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00434	1.0
53.03931	2.7
55.01858	1.7
55.05505	17.4
57.03432	10.3
57.07050	4.4
59.21865	1.2
62.55254	1.1
65.03930	2.7
65.61164	1.1
67.05498	48.8
69.03411	2.8
69.07057	16.3
71.04977	4.6
71.08624	1.3
71.25868	1.5
71.26202	2.1
75.04450	2.2
79.05484	68.6
81.03416	2.3
81.07047	63.0
83.04963	3.0
83.08608	8.8
85.06522	3.9
87.62794	1.0
91.05471	54.7
91.50245	1.2
92.05779	1.5
93.07032	89.9
94.07373	1.7
95.04400	1.1
95.04948	6.5
95.08598	41.3
97.06511	4.8
97.10140	3.5
99.08083	5.5
105.07016	54.6
107.08578	53.6
109.02839	1.2
109.06514	5.6
109.10143	14.1
111.04421	1.7
111.08066	3.2
113.09595	2.1
115.05391	1.7
117.06998	10.0
119.04919	1.2
119.08572	52.5
121.06507	1.8
121.10130	48.1
123.08041	2.7
123.11672	4.4
125.09621	2.1
128.06252	1.7
129.06976	9.6
131.08557	19.4
133.10115	45.4
134.10463	1.2
135.08023	3.1
135.11674	45.1
137.05959	9.5
137.09622	2.0
142.07788	1.5
143.08519	11.6
145.10106	22.9
147.04396	1.9
147.08017	2.5
147.11667	44.8
149.09547	3.9
149.13245	30.0
151.11096	2.2
157.10129	11.5
159.11676	22.1
161.09608	4.7
161.13231	37.7
162.13509	1.3
163.11174	3.8
163.14833	7.6
167.10727	1.1
171.11653	14.2
173.13243	11.9
175.03877	1.3
175.11157	4.0
175.14792	21.2
177.12697	3.5
181.12227	1.5
185.13251	17.3
187.14758	3.1
189.08969	1.4
189.12830	3.1
189.16304	1.8
191.14331	1.8
199.14798	7.1
203.14325	1.9
207.06456	2.7
213.16367	5.6
215.17906	1.7
217.19490	4.7
221.15196	1.1
231.08081	1.8
231.17393	2.9
231.21004	9.9
241.19498	33.3
242.19833	1.2
247.07312	1.4
259.20547	100.0
260.20941	3.6
271.16531	1.2
276.07635	1.4
277.08157	1.2
277.17996	4.1
277.21573	16.0
289.97906	1.2
290.09729	1.8
291.10202	2.3
305.08441	1.3
319.09586	2.9
320.10345	1.6
333.24213	11.0
351.12134	3.3
351.25256	64.4
352.25589	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
54.17073	2.7
55.01853	6.6
55.05504	28.4
57.03431	23.1
57.07057	11.0
65.03904	3.1
67.05495	75.8
69.03432	2.8
69.06787	2.2
69.07066	28.0
69.87417	16.2
71.04982	6.2
71.08624	68.0
79.05483	73.7
81.03400	8.5
81.06586	5.2
81.07050	94.2
83.04974	13.7
83.08609	17.4
85.06524	9.4
91.05476	49.5
93.07027	90.7
93.07624	3.4
95.04947	16.1
95.08046	4.8
95.08592	53.8
97.06509	12.2
97.10133	5.4
97.21864	3.1
99.08078	40.8
105.07013	43.6
107.04936	9.4
107.08578	50.5
109.06499	9.4
109.10134	23.4
111.08056	5.1
113.09638	4.2
117.07005	11.6
119.08571	39.1
121.10126	44.9
123.08025	7.7
123.11681	3.0
129.06982	8.3
131.08574	14.3
133.10118	29.3
135.08014	4.2
135.11673	41.7
137.09587	6.4
139.11174	4.0
141.09100	5.8
143.08534	5.5
145.10107	13.3
147.11684	23.4
149.09660	4.7
149.13228	18.4
151.07553	4.0
151.11166	27.2
157.10121	8.5
159.11690	10.9
161.13229	26.6
163.11150	7.8
163.14749	4.7
165.12741	5.5
167.10608	4.4
171.11676	5.5
173.13246	5.6
175.11180	5.3
175.14751	6.0
177.12750	4.6
179.10768	3.4
179.14302	100.0
185.13297	7.1
187.14742	4.3
189.12790	3.7
199.14755	3.9
213.16444	4.1
221.15405	3.8
231.20956	5.4
235.16957	6.6
241.19397	9.5
247.20306	2.8
259.20505	25.8
262.09637	2.9
276.07001	3.0
277.21594	44.6
303.68997	2.8
305.11780	14.3
319.13321	3.8
320.13986	10.1
321.11368	3.1
351.15793	11.4
351.25443	51.7
352.25568	4.5
372.60727	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69194	1.2
53.03924	4.3
54.09716	1.2
54.33239	1.3
54.59068	1.2
55.05504	15.6
57.03418	4.9
57.07055	3.0
60.59432	1.2
65.03927	1.8
67.05499	49.3
67.30730	1.6
69.07063	15.3
71.04989	2.9
71.53000	1.4
71.53365	2.1
75.04477	3.6
79.05485	64.5
81.07048	57.9
81.85696	1.2
82.07378	1.4
83.04964	2.8
83.08630	8.7
85.06515	4.2
91.05470	57.5
92.05782	1.7
93.07034	79.7
95.04947	7.3
95.08595	40.7
96.08904	1.5
97.06521	4.2
97.10136	2.3
99.08070	3.8
103.74393	1.7
105.07018	63.0
107.04978	1.6
107.08586	49.8
109.06496	3.5
109.10135	13.8
111.08092	2.5
113.09615	2.9
115.05432	2.3
117.07009	16.9
119.08569	62.6
121.09313	2.4
121.10139	31.4
121.84330	1.3
123.08041	3.1
123.11681	5.6
128.06226	2.3
129.07014	11.8
131.08571	23.5
133.10114	51.9
135.08115	2.8
135.11674	36.3
137.09593	2.2
142.07719	1.8
143.08549	12.3
145.06447	1.8
145.10100	22.6
147.11668	54.9
148.12010	1.7
149.09633	2.5
149.13243	23.9
151.07535	1.6
151.11223	3.2
157.10110	10.4
159.11673	21.2
161.13240	39.9
163.11140	3.9
163.14772	7.2
165.12778	3.1
171.11681	16.9
173.13231	13.2
175.11180	3.2
175.14828	15.6
177.12709	5.0
185.13242	14.4
187.07481	1.7
187.14833	2.0
189.12685	2.5
191.14319	2.6
199.14900	8.5
200.15163	1.5
203.14302	1.5
213.16409	4.2
215.17929	2.1
217.15804	2.2
231.17427	2.6
231.21027	8.2
232.17969	1.5
241.19485	34.8
259.20554	100.0
260.20923	5.7
277.21643	4.2
289.12164	1.4
289.21567	1.6
305.11777	3.4
320.14127	2.5
333.24203	4.0
336.13373	1.7
351.15961	10.3
351.25296	57.3
352.25479	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.0
55.01870	2.4
55.05506	15.2
57.03414	5.4
57.07056	2.8
65.03916	2.5
67.05499	44.7
69.07059	16.2
69.37151	11.1
69.37564	4.3
71.05000	3.2
71.08628	1.7
75.04470	3.2
79.05486	62.3
81.07049	51.7
83.04988	2.8
83.08619	7.7
85.06538	3.2
86.42749	1.6
91.05473	59.5
93.07037	85.7
94.07355	3.5
95.04953	8.0
95.08592	37.5
96.08949	2.2
97.06532	2.8
97.10175	1.7
99.08076	4.4
104.48702	1.5
105.07017	65.3
106.07337	2.2
107.04923	2.1
107.08586	47.5
109.06516	3.5
109.10155	15.7
117.06995	14.8
119.08575	55.9
120.08913	2.1
121.06515	2.3
121.10133	33.7
123.08053	3.7
123.11687	3.9
129.06967	8.9
131.08548	23.3
133.06427	1.6
133.10126	56.5
134.10551	1.9
135.11674	36.4
136.12012	1.7
137.09581	3.1
139.01668	1.4
142.07753	2.9
143.08580	7.7
145.10109	23.4
147.11678	53.3
147.12808	3.2
149.09637	3.6
149.13251	23.2
151.07553	2.5
157.10155	10.0
159.11671	20.9
159.44522	1.6
161.13249	36.3
162.13654	2.1
163.11166	3.8
163.14801	8.7
165.12801	2.2
171.11685	13.0
172.12111	1.9
173.13228	11.3
175.14816	17.6
177.12749	4.1
185.13231	12.9
187.14819	4.1
189.12756	2.9
199.14803	9.3
213.09090	3.6
213.16338	6.2
215.17928	2.9
228.68112	1.9
231.17371	1.8
231.21124	7.8
241.19504	32.9
259.20551	100.0
259.79486	1.7
260.20892	4.9
277.21671	5.4
289.21594	2.6
296.60037	1.8
305.11581	1.9
320.14059	3.3
351.12241	1.8
351.15860	8.5
351.25290	57.4
352.25650	4.8
358.11285	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.0
53.96872	3.1
55.01866	5.2
55.05505	34.1
57.03434	54.2
57.07062	8.4
65.03922	4.3
67.05499	75.0
69.07053	29.1
69.43768	2.8
69.87425	13.4
69.87831	4.2
71.04971	5.6
71.81358	3.2
71.88907	3.1
79.05482	74.7
81.07050	92.1
83.04984	3.8
83.08606	22.3
85.06538	7.9
87.25747	2.7
91.05474	68.6
93.07033	100.0
95.04956	10.6
95.08596	67.8
97.06542	7.6
97.10160	7.5
99.08073	5.1
105.07014	54.5
107.08581	70.4
109.06494	6.7
109.10129	32.0
111.08108	5.0
117.06993	18.7
119.08558	51.3
121.10126	54.2
123.08020	4.5
123.11697	9.3
125.09653	4.9
129.06985	7.3
131.08553	21.4
133.10110	46.2
135.08064	3.8
135.11665	48.4
137.09612	4.9
143.08536	7.9
145.10115	25.0
145.73036	3.0
147.11681	45.8
149.13234	33.8
151.07503	4.3
157.10149	10.9
159.11652	25.9
161.13216	23.5
163.11156	5.2
163.14809	11.4
165.12718	6.4
171.11703	12.8
173.13219	14.3
175.14830	13.3
185.13232	10.7
185.76680	3.0
187.14798	12.4
189.09244	4.8
189.12822	3.9
199.14824	8.2
203.17723	3.7
207.14006	3.5
213.16335	4.7
219.98743	3.2
221.18980	3.9
231.21106	8.2
241.19490	22.5
259.20551	77.4
260.20944	6.9
269.86182	3.2
277.21552	25.2
290.09293	3.7
305.11594	5.6
315.23196	3.2
319.13049	3.2
320.14047	10.1
323.12476	4.1
333.24091	9.2
351.12201	4.1
351.16101	14.3
351.25287	92.6
352.16013	4.4
352.25604	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	352.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01669	4.2
55.01849	9.7
61.02929	6.1
62.16789	4.3
69.03423	35.3
69.06730	6.6
69.07067	85.0
69.22343	12.8
69.22766	33.4
73.02904	9.8
74.59973	4.2
81.03407	18.3
85.02895	100.0
86.09707	6.6
87.00819	54.0
93.07044	5.4
97.02869	61.1
99.04443	13.1
105.01856	88.4
108.19785	3.8
109.02822	23.9
127.03902	94.7
145.04942	66.7
157.56487	4.0
159.02861	13.3
161.59363	4.1
195.10103	6.6
230.14966	4.2
231.04938	27.6
248.07565	3.9
249.05962	12.3
250.96098	4.1
298.92642	5.0
364.50647	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	353.0844
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
56.96544	6.7
57.03398	5.3
62.35928	3.9
69.03417	11.6
69.88600	9.0
69.89009	14.8
80.15252	4.3
85.02908	23.5
97.02869	5.4
98.97569	6.8
100.99104	4.2
116.98636	3.8
127.03900	8.7
133.20555	4.6
143.01865	12.1
145.04889	4.8
161.03059	5.9
173.02893	6.6
183.04944	7.4
185.02963	4.8
190.98511	5.6
208.99583	6.7
212.03206	4.2
245.04994	14.6
263.05988	6.6
353.08423	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1379
Annotation	Daldinone D
Peak:m/z	Relative Intensity
51.02373	1.2
53.03951	1.6
65.03943	1.2
67.13059	0.8
69.54385	6.9
71.04986	3.4
77.03902	0.9
79.05500	4.1
81.07021	0.9
91.05468	4.3
95.04980	2.1
96.92319	0.8
105.03385	1.3
107.04951	4.3
108.05753	1.3
111.04450	1.2
115.05430	2.6
117.06989	1.2
119.04904	1.7
121.06512	1.9
128.06206	1.7
129.06984	6.2
131.04907	1.4
133.02850	1.5
135.04407	100.0
136.05234	6.4
141.06947	1.1
143.04874	1.8
145.06409	4.0
146.07196	1.5
147.04378	3.3
148.05109	1.7
149.02318	2.0
149.05986	7.0
151.03987	1.3
151.07529	57.4
152.07976	1.0
153.07045	1.2
157.06483	9.8
158.07283	4.9
159.04443	1.3
159.08037	1.5
160.08862	1.0
161.05988	2.3
163.03886	1.0
163.07529	2.8
165.05510	2.4
165.07027	1.4
165.09093	4.4
169.06448	1.0
171.08034	2.4
172.05191	1.2
172.08818	5.7
173.05949	18.3
174.06715	3.6
175.03885	5.1
175.07507	3.3
177.05444	1.5
177.09129	4.0
179.07060	5.2
179.08452	1.4
181.06514	2.5
182.07199	1.6
185.05968	3.9
186.06599	1.0
187.07521	5.7
188.08293	12.0
189.09099	9.4
190.07768	1.7
190.09779	1.8
191.06989	2.3
191.08527	1.7
193.08569	2.3
197.05887	1.5
199.07550	2.8
201.09096	40.4
202.07739	2.2
202.09621	1.0
203.08571	3.4
203.10663	15.3
205.08513	1.3
207.08096	2.4
209.05989	8.1
210.06844	1.0
211.07526	2.9
213.09114	5.6
215.07004	2.3
215.08669	2.2
215.10555	4.8
218.07240	1.5
219.08054	8.0
223.07471	1.9
224.04649	0.9
224.08211	1.0
225.05504	6.2
225.09055	5.5
230.07172	1.3
231.08026	5.0
231.10132	23.9
232.08760	1.9
233.09592	6.3
234.10345	2.1
235.07602	4.0
235.11148	1.1
236.08043	1.0
237.05457	3.5
237.09177	0.9
238.06212	2.5
239.07042	10.4
243.08186	1.5
245.09598	3.5
246.06682	1.5
246.10376	7.5
247.07545	10.0
247.10088	1.3
248.08215	1.6
249.09090	4.7
250.09802	1.7
251.07024	4.6
251.10716	1.9
252.07805	22.8
253.04915	7.3
253.08559	5.0
259.07550	3.9
260.08347	2.9
261.09113	13.2
262.06369	1.8
262.09909	9.0
263.07077	2.7
263.10544	1.8
265.08618	4.5
265.12122	5.1
266.09348	1.7
267.06534	6.5
267.09772	1.2
267.13849	1.1
268.07294	16.0
269.07828	1.2
272.08139	0.9
273.09079	5.6
274.06985	1.3
274.09753	7.0
275.06998	3.2
275.10495	1.5
276.07706	1.4
277.08597	7.1
277.12225	10.1
278.09299	2.4
279.06607	1.7
279.10181	2.6
279.13300	1.2
280.07376	1.6
282.08865	23.2
282.11923	0.8
283.09616	43.0
288.07822	2.6
289.08554	21.3
289.11081	0.5
290.06198	1.0
290.09222	4.9
291.10071	4.4
292.10834	7.2
293.08057	3.1
293.11658	6.3
294.12405	1.3
295.09677	14.6
296.10248	1.6
297.11444	1.1
298.12018	1.3
303.10172	11.2
304.10904	30.1
305.08096	6.9
305.11694	21.5
307.09732	2.2
307.13266	2.4
308.10394	10.1
309.11252	3.0
310.12027	1.9
311.12897	6.0
319.09708	1.8
320.10461	12.2
321.11029	1.9
321.14651	1.6
322.11859	1.3
322.15585	3.0
323.12753	21.4
324.13190	1.2
325.14297	9.0
335.12766	43.9
336.13080	1.2
338.15350	1.1
353.13782	29.8
353.17569	9.0
353.25244	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	353.1745
Annotation	Methylhildgardtol B
Peak:m/z	Relative Intensity
50.83747	1.0
51.32581	0.9
53.03945	1.2
55.01864	2.2
55.05498	1.5
57.07057	4.4
58.76114	1.1
59.04965	1.1
67.05491	4.8
69.03414	3.8
69.07053	4.4
71.08010	2.1
79.05486	6.1
81.03416	2.7
81.07058	10.0
83.04988	1.6
83.08569	2.1
83.50227	1.0
85.02893	1.5
85.06532	4.3
91.05470	7.1
93.07050	6.6
93.58963	1.0
95.04938	3.0
95.08614	6.1
97.06535	2.8
99.04453	1.6
103.05437	2.0
105.07060	5.6
105.07603	1.1
107.04958	6.3
107.08607	6.5
109.02866	2.8
109.06535	1.9
109.10137	3.5
111.04410	1.3
111.08030	1.3
117.07033	2.5
119.04929	1.7
119.08582	3.0
121.02879	5.9
121.06500	4.7
121.10140	4.9
123.11703	2.1
125.05970	1.1
125.09620	1.8
127.03904	2.0
131.08575	2.5
133.02716	1.3
133.06458	2.8
133.10135	2.1
135.04430	3.8
135.08025	2.1
135.11707	2.9
136.05193	6.0
137.05951	3.4
137.09573	1.6
139.07515	1.5
139.11214	1.8
143.08499	1.6
145.06479	1.4
145.10101	4.0
146.07271	3.3
147.04385	2.2
147.07982	1.8
147.11720	2.0
148.19926	1.2
149.09639	1.6
150.06766	4.4
151.07526	47.4
151.11119	1.4
153.09158	1.4
157.05203	1.1
157.06496	1.5
159.11688	1.4
163.07547	2.5
163.11182	1.8
165.09108	19.6
167.07034	5.3
171.08147	2.1
171.11783	1.4
173.13216	2.7
174.06801	1.9
177.09100	12.8
181.04976	1.2
181.06540	1.5
183.08003	1.3
184.08862	4.6
185.13260	1.2
189.09148	5.3
189.12764	1.1
191.03307	1.3
191.07030	6.5
191.10666	1.6
191.14330	2.4
197.06181	1.2
199.86647	1.3
200.08235	1.5
201.09209	1.4
207.08069	2.6
209.15302	1.9
210.06889	1.6
211.07539	1.5
215.10715	6.9
220.08891	1.2
221.09674	1.6
222.06764	1.3
223.07504	4.3
224.08301	10.4
225.09116	3.6
226.09631	1.3
232.08846	1.8
233.09581	2.3
235.07483	1.2
236.08253	1.6
237.09131	3.6
238.09717	2.0
239.10654	2.0
240.07727	3.0
248.11993	1.3
249.09119	3.1
250.09853	2.4
251.07057	3.2
251.10750	1.5
252.07820	4.2
253.08606	5.2
254.09381	2.2
255.10144	11.5
261.09201	3.2
263.07019	2.2
263.10651	3.3
264.11496	3.2
265.08563	17.4
266.09302	3.6
267.10156	23.7
268.10837	3.0
275.10764	4.2
276.11487	4.3
277.08661	1.7
277.12283	1.6
278.09338	2.0
278.13132	1.5
279.10147	4.1
279.13812	2.6
280.11044	2.1
281.08151	8.9
281.11780	19.8
282.08841	5.4
282.12100	2.1
283.09549	12.9
284.09967	1.8
290.13013	2.7
291.10376	2.9
291.13730	3.4
292.11072	2.4
293.11542	1.9
295.09692	17.9
295.13040	1.4
296.10312	11.3
297.07632	1.5
297.11130	1.2
298.11945	17.2
299.12708	2.9
306.12521	2.4
307.09756	2.2
307.13266	19.1
309.11160	7.9
310.11990	5.0
311.12741	100.0
312.13181	6.1
317.21182	2.7
321.11200	2.8
321.14917	4.8
322.12061	1.5
322.15588	30.8
323.12683	4.6
323.15997	1.4
325.07101	8.6
325.14297	64.4
326.14688	3.1
335.11520	1.8
338.14999	6.7
345.31384	1.2
353.06543	9.9
353.14148	4.8
353.17477	79.8
354.06836	1.3
354.17850	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	353.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
68.92688	0.9
70.56350	1.7
70.56741	2.1
79.05488	1.2
91.05473	2.9
103.05491	1.1
107.04949	4.5
108.05727	2.9
115.05435	2.3
117.07044	5.7
121.06503	8.7
128.06195	1.8
129.06992	1.7
131.04883	4.9
132.05663	1.7
133.06470	1.6
134.07289	1.1
135.04437	2.1
136.05174	5.0
139.12273	0.9
144.05672	2.8
145.06485	12.7
146.07257	20.8
147.07986	2.6
150.06772	2.4
151.07535	64.6
152.07794	0.9
158.07294	9.9
159.04443	2.2
159.08057	2.4
162.06766	3.0
165.09140	6.0
169.06494	3.7
170.07291	1.2
174.06728	10.2
175.07526	3.0
177.09099	46.7
178.09389	1.5
183.08052	1.9
184.08829	12.5
185.05933	1.7
189.09099	100.0
190.09497	2.7
200.08282	8.0
215.10661	46.7
216.10944	2.5
247.11069	0.9
257.77402	1.0
275.10730	1.4
279.10065	1.1
287.12732	2.9
292.10971	1.7
293.11890	1.5
298.12103	2.3
307.13327	4.7
307.66391	0.9
309.11072	1.0
310.12048	1.4
311.12833	1.8
321.14938	1.7
322.15656	5.7
323.12592	1.1
325.14380	3.6
338.15070	1.8
348.86948	0.9
353.13721	1.6
353.17465	37.1
354.17773	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23088	0.9
59.39927	1.0
70.65802	1.9
75.84625	0.9
77.67261	0.9
79.05479	1.7
91.05483	5.6
103.05467	1.1
105.06996	1.7
107.04925	5.2
108.05723	2.5
115.05431	1.9
116.06248	1.2
117.06975	4.0
121.06503	8.6
128.06195	2.2
129.07021	1.9
131.04909	4.4
133.06516	1.3
135.04446	2.0
136.05193	5.4
141.25023	0.9
143.04912	2.7
144.05679	2.1
145.06497	11.6
146.07260	18.3
147.07990	3.2
150.06740	2.5
151.07529	72.8
152.07942	2.0
153.06847	1.1
158.07220	11.1
159.04370	2.2
159.08047	1.6
160.05186	2.2
162.06717	1.7
165.09123	8.2
169.06459	2.6
171.08014	2.0
174.06746	11.6
175.07536	3.1
177.09090	48.9
183.08067	1.6
184.08812	10.3
185.05972	2.0
185.09558	1.2
189.09091	100.0
190.09459	3.0
200.08241	5.7
215.10657	51.6
216.10930	1.1
264.11453	1.2
275.10437	1.4
287.12613	2.8
293.11685	1.3
298.11920	4.5
307.13358	5.1
309.11264	1.3
311.12656	2.5
321.11322	1.4
321.14764	2.1
322.15524	7.8
323.12704	2.2
324.13409	1.2
325.14322	2.9
338.15024	3.5
353.10602	1.7
353.17438	40.9
354.17548	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1743
Annotation	Methylhildgardtol B
Peak:m/z	Relative Intensity
50.69703	0.8
55.05501	1.1
55.58780	0.8
57.07070	1.2
67.05492	1.8
70.61392	2.6
70.61740	0.9
79.05484	1.9
81.07039	2.3
91.05465	1.3
93.07024	1.2
95.08562	2.2
98.20958	1.1
105.06973	1.6
107.04897	2.5
108.05715	1.7
109.10126	1.1
117.06960	1.1
121.06510	2.1
123.11658	1.5
125.27991	0.8
135.04424	1.8
136.05144	4.7
146.07277	1.2
147.11629	0.9
149.02341	1.0
150.06746	1.9
151.07533	46.1
152.07831	1.3
157.06442	0.9
159.07977	1.1
163.07512	3.9
165.09142	7.1
171.08003	1.1
177.09085	1.8
183.08049	0.9
189.09113	2.0
193.04807	2.1
201.09096	1.5
209.09572	1.0
215.10626	2.7
219.07962	1.6
221.09526	1.0
224.08279	2.0
225.08995	1.1
232.08919	2.3
233.09705	1.7
235.07542	1.3
235.11197	1.8
237.08987	1.1
240.07695	1.0
245.09654	2.6
247.11290	2.8
248.08221	2.6
248.11812	1.1
249.09137	3.2
250.09840	2.1
251.10643	1.2
255.10205	1.5
261.09100	2.0
261.22293	1.2
262.10019	2.2
263.10672	5.5
264.11362	5.5
265.08633	1.4
265.12158	1.8
266.09235	1.1
267.10156	1.5
268.10928	1.9
275.10660	7.7
276.11404	9.8
277.08701	3.5
277.12064	1.3
278.09213	1.6
278.12833	1.8
279.10123	3.5
279.13568	4.2
280.10995	3.4
281.11713	2.3
289.12195	1.9
290.09946	1.0
290.12903	4.5
291.10129	6.1
291.13766	7.3
292.10901	6.8
293.11716	3.1
294.12567	3.0
295.09866	1.9
295.13245	3.6
298.12027	5.6
298.15100	1.0
299.12628	1.0
299.28732	1.1
305.11615	2.2
306.12515	10.1
307.13242	35.0
308.10483	0.9
308.13788	1.9
309.11185	2.2
310.11951	0.9
311.12671	3.9
321.14825	15.1
322.15576	36.8
323.12738	16.8
323.16254	2.4
324.13345	4.3
325.14352	4.5
337.14124	0.9
338.15088	15.8
338.18793	1.2
353.17447	100.0
353.24606	2.4
354.17700	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	353.1745
Annotation	Methylhildgardtol B
Peak:m/z	Relative Intensity
55.01856	0.9
55.05495	2.0
57.07053	0.8
67.05485	1.7
67.33575	0.5
69.03416	1.8
69.07050	2.1
70.77653	1.8
70.81412	0.5
71.05009	0.9
79.05472	2.6
81.03432	2.9
81.07058	4.5
83.04949	1.2
83.08595	1.3
84.04518	1.1
85.02881	0.7
85.06529	1.1
88.50990	0.6
91.05486	3.8
93.07021	3.4
95.04974	1.2
95.08597	2.8
97.02888	0.7
97.06501	0.7
99.04452	1.0
100.11239	1.9
105.07006	4.4
107.04932	5.8
107.08577	3.2
108.05715	1.8
109.02891	1.0
109.06502	1.1
109.10119	1.7
111.04450	0.9
111.08093	0.7
115.05468	0.7
119.08564	2.4
121.06480	2.7
121.10128	2.4
123.04422	0.9
123.08015	0.8
123.11736	1.1
127.03914	1.6
131.08543	1.6
133.06503	1.2
133.10074	1.4
135.04384	2.5
135.08011	2.0
135.11667	1.2
136.05196	4.9
145.10127	2.0
147.08040	0.9
147.11685	1.3
148.05109	0.6
149.05984	1.0
149.09616	1.1
150.06754	2.9
151.07527	69.0
152.07831	0.8
157.06509	1.0
158.07260	1.1
159.11664	1.1
161.06004	0.7
161.09637	0.6
161.54915	0.7
163.07487	2.6
163.11151	1.9
165.09102	12.3
167.07010	2.5
173.13324	0.8
175.07561	1.0
177.05571	0.9
177.09149	0.6
189.07182	0.7
189.09084	1.3
190.07771	0.7
191.07010	10.3
191.10680	1.1
199.07607	0.8
199.18011	0.7
201.09077	6.4
202.07782	0.7
202.09546	1.0
203.06978	1.3
209.08000	0.6
215.10629	2.0
218.07352	1.1
219.08171	1.0
220.08788	0.9
224.08325	0.7
231.08034	1.3
232.08675	1.2
233.09584	2.0
234.06644	0.6
234.10489	0.8
235.07616	1.3
237.09123	1.4
245.09569	1.2
247.11211	1.5
248.08374	1.6
249.09082	2.4
250.09834	1.2
251.10713	0.7
254.09537	0.7
255.10094	1.6
260.08319	1.1
261.09097	3.3
261.88678	0.6
262.09772	1.2
263.07242	0.8
263.10638	3.0
264.11417	5.0
265.08636	1.4
266.09222	0.6
267.10110	1.2
267.14267	0.8
268.10922	0.8
269.11542	0.6
274.09866	0.8
275.10614	5.2
276.11426	6.6
277.08624	2.1
277.11874	0.6
278.09351	1.5
278.12955	1.7
279.10236	1.4
279.13724	2.5
280.10794	1.7
281.08429	0.7
281.11539	0.6
283.09552	0.7
289.08640	1.0
290.09671	0.9
290.12967	2.1
291.10150	3.5
291.13763	3.0
292.07794	1.0
292.10895	4.3
293.08078	1.4
293.11597	4.0
294.12360	0.9
295.09912	1.2
295.13370	1.8
298.12000	3.6
305.11755	1.9
306.09174	1.0
306.12476	3.8
307.13245	22.5
308.13681	1.4
309.11050	1.2
310.11954	0.7
311.12750	2.5
317.24789	0.7
321.11035	1.6
321.14816	5.4
322.12454	0.7
322.15576	20.9
323.09232	1.2
323.12781	10.5
323.16217	0.9
324.13516	2.4
325.14334	2.3
335.12308	0.9
338.15109	11.7
353.14001	5.8
353.17444	100.0
354.17776	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	353.1743
Annotation	Taxamairin B
Peak:m/z	Relative Intensity
51.28225	0.5
53.95021	0.4
59.31730	0.4
63.29485	0.5
65.03952	0.4
67.05497	0.9
69.07050	0.8
69.40353	2.7
69.40780	1.4
79.05489	1.1
80.06267	0.7
81.03400	0.5
81.07039	2.0
82.14432	0.4
83.04948	0.5
90.04775	0.4
91.05469	2.8
93.07023	1.4
95.08575	0.7
103.05470	0.6
105.03387	0.5
105.06986	1.3
107.04945	6.6
107.08588	1.2
108.05716	2.1
109.06492	0.8
109.10123	0.8
118.04162	0.6
121.06493	2.1
123.08076	0.5
123.11667	0.8
131.04906	1.0
132.05675	1.7
135.04410	3.0
135.05278	0.4
135.08049	1.1
136.05174	5.4
145.10164	0.7
146.07201	0.7
150.06764	2.0
151.07524	100.0
152.07872	1.9
155.08562	0.6
160.05130	0.9
163.07516	0.9
165.09102	9.9
174.06757	1.4
175.07515	4.8
177.09099	1.2
178.07724	0.6
184.08846	0.4
185.05936	0.5
189.09084	2.6
191.06963	1.4
195.08113	0.6
201.25432	0.5
207.08020	0.8
209.68661	0.5
212.08159	0.6
215.08763	0.8
215.10609	3.0
218.07266	0.6
219.08011	0.8
222.06656	0.5
222.10359	0.5
223.07294	0.7
224.08287	3.0
225.05470	0.7
225.09039	1.0
227.10736	0.5
231.08017	1.0
232.08786	1.7
233.09642	1.2
234.06779	0.8
235.07503	1.3
237.09131	1.0
238.09879	1.2
240.07826	2.5
245.09552	1.3
246.10284	0.8
247.11160	1.5
248.08414	0.7
248.11844	0.8
249.09201	2.6
250.09816	3.6
251.06996	1.1
251.10616	1.1
252.07851	1.0
253.08522	1.0
254.09343	1.6
255.10147	11.2
256.10590	0.8
259.11124	1.8
260.08276	1.0
261.09082	1.9
262.09982	1.7
263.07013	0.8
263.10648	3.7
264.08493	0.6
264.11301	3.6
265.08624	2.4
265.11795	0.7
266.09344	2.0
267.10132	4.7
268.10907	2.0
269.08121	0.5
275.10641	6.5
276.11377	5.5
277.08530	2.3
277.12073	0.9
278.09320	2.7
278.12854	1.4
279.10141	2.1
279.13599	2.5
280.10825	1.5
281.08231	0.9
281.11737	1.6
282.08862	0.8
283.09644	5.5
284.10306	0.9
289.12195	2.2
290.12970	3.5
291.10165	3.4
291.13757	3.5
292.10883	5.1
293.11652	8.8
293.14798	0.9
294.12354	1.5
295.09616	2.7
295.13239	1.4
296.10541	3.1
298.11960	26.7
299.12534	2.5
305.11810	0.7
306.12408	3.4
307.13245	18.0
308.10437	0.6
308.13614	1.5
309.11194	6.5
310.11554	0.6
311.12735	21.0
312.13144	1.3
321.11453	0.7
321.14832	8.6
322.15570	20.1
323.12695	5.8
323.16193	2.6
324.13489	6.8
325.14044	1.0
338.15054	5.7
353.17435	83.1
354.17770	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	353.1742
Annotation	Taxamairin B
Peak:m/z	Relative Intensity
51.34878	0.7
52.11588	0.6
60.37929	0.6
67.05521	0.7
69.07053	0.6
69.55504	5.4
79.05476	0.8
80.06245	0.6
85.07314	0.7
85.77692	0.7
91.05474	3.5
93.07045	1.1
95.08619	1.2
98.20758	1.2
105.06993	1.9
107.04928	5.8
108.05714	2.8
121.06487	0.9
131.04865	1.4
132.05667	1.7
135.04396	2.4
135.08034	1.2
136.05177	4.8
150.06783	2.1
150.92513	0.7
151.07526	100.0
152.07828	1.9
160.05203	1.1
163.07535	0.9
165.09099	10.1
174.06735	1.3
174.15790	0.7
175.07568	5.6
177.09113	1.3
184.08807	0.7
189.09140	3.2
191.07010	0.9
195.08101	0.7
197.05974	1.0
207.07988	1.1
209.05829	0.8
215.10629	3.2
219.07991	0.9
220.08698	1.1
223.07437	0.8
224.08284	3.3
225.08986	1.5
232.08870	1.7
233.09575	1.1
235.07573	1.6
237.08971	1.3
238.09949	0.8
240.07793	1.9
241.08519	0.9
245.09706	1.1
246.10172	0.7
247.11238	1.1
248.08388	0.8
249.09074	2.7
250.09830	2.6
251.10648	1.2
252.07764	1.3
252.11349	0.7
253.08731	1.2
255.10103	13.3
256.10480	0.7
259.11215	1.1
261.09210	3.1
262.09674	1.5
263.07059	0.8
263.10626	2.9
264.11407	2.3
265.08615	2.9
266.09329	1.3
267.10117	5.1
268.10928	1.6
275.10681	6.5
276.11328	5.9
277.08572	2.8
277.11908	1.1
278.09540	1.2
278.12927	1.4
279.10159	2.3
279.13788	2.8
280.11014	1.9
281.08304	1.4
281.11627	2.3
283.09714	4.2
284.10199	0.9
289.12204	2.8
290.12952	2.6
291.10172	3.8
291.13776	3.7
292.10886	4.4
293.11615	9.0
294.12131	1.3
295.09586	2.6
295.12952	1.3
296.10406	2.3
298.08597	1.4
298.11963	27.9
299.12534	2.0
305.11514	1.2
306.12506	3.7
307.13220	17.1
308.13953	1.4
309.11206	6.6
310.11630	0.7
311.12726	19.7
312.13150	1.1
321.11105	1.8
321.14798	7.9
322.15570	19.6
323.12738	5.0
323.16174	1.6
324.13644	5.0
338.15109	4.8
353.17438	85.1
354.17834	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	353.1745
Annotation	Taxamairin B
Peak:m/z	Relative Intensity
55.88710	0.9
67.05500	2.0
71.13213	1.0
71.13540	2.3
77.85981	0.9
79.05499	1.3
81.07056	1.4
91.05466	3.9
95.08572	1.0
105.07023	2.2
107.04942	7.4
108.05746	3.1
109.10168	1.0
114.53930	0.9
121.06470	1.2
127.17358	0.9
131.04903	1.5
131.08383	0.9
132.05774	1.2
135.04398	3.4
136.05177	5.2
150.06755	2.6
151.07533	100.0
152.07878	1.9
163.07544	1.5
165.09105	10.9
174.06700	1.3
175.07571	4.6
177.09178	1.2
178.14204	0.9
189.09108	4.4
215.10669	3.8
219.43195	1.0
223.07346	1.2
224.08362	4.6
225.64130	0.9
232.08794	1.5
233.09528	1.2
240.07849	1.6
245.09613	1.4
247.11026	1.3
249.09000	2.2
250.09964	3.0
251.10538	1.1
253.08566	1.8
254.09489	1.5
255.10156	13.4
259.11221	1.5
261.08997	2.6
262.09698	1.5
263.07077	1.1
263.10602	5.0
264.11465	3.2
265.08609	2.5
266.09424	1.4
267.10083	5.5
268.10910	2.7
275.10779	5.8
276.11432	4.7
277.08667	2.4
278.09396	2.1
279.10312	1.5
279.13770	3.5
281.07944	1.5
281.11703	2.9
283.09583	4.1
289.12219	1.7
290.12860	2.6
291.10156	3.6
291.13712	4.4
292.10870	5.7
293.11700	7.8
294.66843	1.1
295.09711	2.5
295.13199	1.6
296.10449	2.1
298.11945	23.8
299.12732	1.9
306.12439	2.7
307.13242	19.4
309.11139	6.1
311.12756	21.5
321.14911	6.8
322.15631	20.8
323.12683	6.9
323.16238	2.4
324.13663	7.2
325.14301	2.4
338.15170	7.0
353.17447	90.3
354.17746	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	353.1743
Annotation	Methylhildgardtol B
Peak:m/z	Relative Intensity
51.02396	0.7
51.37782	0.6
51.77150	0.7
52.43750	0.6
53.66811	0.7
55.05500	1.0
59.03461	0.7
67.05470	0.8
69.07061	1.1
69.42710	4.5
69.43121	1.4
70.21791	0.7
79.05470	2.1
81.07054	1.6
91.05468	3.9
93.07026	1.7
95.04981	1.0
95.08582	1.3
99.31078	0.6
103.05431	1.0
105.07002	2.6
107.04955	10.2
107.08539	1.0
108.05723	3.1
109.10158	1.0
115.05407	0.9
117.07010	1.1
119.04964	0.8
121.06474	4.8
122.07266	0.9
129.06985	0.7
131.04922	1.7
132.05672	1.7
133.06442	1.0
134.07222	0.7
135.04413	6.6
135.08023	0.8
135.11673	0.8
135.18712	0.7
136.05215	5.1
145.06444	1.0
146.07234	7.8
147.08080	0.9
149.05974	0.7
149.09547	0.9
150.06773	4.6
151.07524	100.0
152.07851	2.8
157.06451	0.9
158.07280	1.6
160.05194	1.9
162.06854	1.1
163.07498	1.8
165.09099	42.2
166.09398	1.0
167.07095	1.3
174.06763	2.4
175.07513	5.5
177.09094	23.1
184.08641	0.9
185.06131	0.8
188.63042	0.8
189.07285	1.0
189.09081	9.4
191.06993	2.6
191.08649	0.7
191.10677	1.0
195.54883	0.7
200.08401	1.0
201.09093	3.2
205.06485	0.7
207.08086	1.0
209.05995	0.8
212.08385	0.9
215.08781	1.2
215.10495	3.8
218.07245	0.8
219.07982	1.5
224.08304	2.4
225.09007	1.1
231.08069	0.9
232.08804	1.7
233.09642	2.5
235.07523	2.1
238.09851	1.1
240.07745	2.4
241.08699	0.8
245.09624	2.1
246.10239	1.0
247.07401	0.7
247.11220	1.7
248.08379	0.9
248.11903	1.0
249.09180	2.6
250.09845	3.2
251.10493	0.8
252.08072	1.4
252.10971	1.0
253.08475	0.9
254.09366	0.9
255.10187	10.4
259.11295	1.9
261.09045	2.7
262.09814	2.3
263.07083	1.2
263.10712	3.9
264.11481	3.4
265.08597	2.0
266.09387	1.1
267.10117	5.7
268.10742	1.6
275.10611	6.5
276.11456	5.6
277.08566	2.8
277.11951	1.0
278.09372	2.8
278.12741	0.7
279.10193	2.5
279.13739	2.7
280.10977	1.9
281.08163	1.5
281.11710	2.5
283.09644	5.0
289.08990	1.1
289.12137	3.1
290.13010	3.7
291.10165	3.0
291.13763	5.9
292.10901	5.1
293.08350	1.3
293.11603	9.6
294.12357	1.1
295.09598	3.6
295.13071	1.6
296.10480	2.5
298.11966	25.2
299.12482	1.2
305.11694	0.8
306.09296	0.8
306.12439	3.0
307.09872	1.0
307.13248	20.8
309.11200	7.1
310.11853	1.0
311.12775	17.3
312.13089	1.2
320.13852	1.0
321.11343	1.3
321.14752	7.9
322.15610	26.1
323.09332	1.0
323.12701	5.5
323.16223	1.7
324.13486	6.3
325.14346	1.4
337.80267	0.9
338.15097	5.9
353.10153	2.3
353.17447	90.5
354.17853	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	353.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.4
64.94241	2.4
67.05493	15.0
69.07046	9.9
69.80328	3.4
69.80740	11.2
79.05470	8.3
81.07039	22.2
83.08607	3.0
85.52066	2.4
91.05464	11.8
93.07039	11.5
95.04929	2.6
95.08595	19.8
105.07014	19.9
107.04922	6.0
107.08570	15.6
109.10143	10.8
117.06975	4.3
119.08565	20.7
121.06474	3.8
121.10115	8.5
123.11690	10.1
131.08524	8.0
133.10094	9.1
135.04425	3.4
135.11635	3.9
136.05154	4.6
137.13327	2.5
145.10106	9.9
146.07268	4.0
147.11649	13.0
149.13223	7.5
150.06627	2.8
151.07524	99.8
159.11707	12.5
160.08791	3.4
161.13206	9.5
163.14815	4.3
165.09120	20.2
173.13176	4.0
174.10292	3.0
175.14809	6.7
177.09071	11.8
179.10672	3.2
187.14613	2.6
188.08200	2.8
189.09081	8.3
189.16351	5.6
190.09975	3.1
191.10587	12.7
198.10330	4.0
201.09059	7.1
203.10651	13.2
205.12222	10.6
207.13716	3.1
210.10423	3.2
211.07555	3.8
211.11313	2.5
215.10643	12.5
215.17944	15.3
216.11555	2.4
217.12216	9.7
229.12213	9.2
231.13808	4.3
241.12189	9.0
243.13770	8.8
245.15431	2.7
254.09506	3.4
255.13680	7.6
257.15234	6.2
261.22046	3.5
263.10526	2.7
266.16641	3.3
269.11536	3.2
276.11279	3.7
277.08197	2.5
280.11044	2.8
282.09088	3.7
283.16992	7.4
293.11575	3.5
297.11047	9.9
297.18518	17.0
307.13205	10.6
311.20099	4.6
322.15656	9.3
353.13705	11.4
353.17398	26.3
353.24667	100.0
354.17816	4.2
354.24927	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	353.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87009	1.0
53.24152	1.1
55.05495	5.3
57.07058	5.2
61.52856	1.0
67.05493	11.4
69.07060	7.0
69.44212	7.0
69.44633	3.3
79.05490	6.9
81.07048	19.6
83.08594	2.5
85.16859	1.2
89.39251	1.2
91.05465	12.0
93.07029	11.6
95.08598	22.0
105.07019	26.3
107.04943	3.2
107.08571	11.4
108.05731	1.9
109.10145	10.9
117.07004	3.0
119.08571	20.0
120.79819	1.3
121.06472	4.1
121.10113	7.3
123.11676	8.9
129.06924	1.7
129.44427	1.1
131.08586	6.7
133.10097	10.9
135.04379	1.8
135.11650	3.6
136.05177	6.5
137.05937	1.3
137.13254	2.6
144.09251	1.6
145.06450	1.9
145.10133	7.9
146.07190	2.1
147.08058	1.6
147.11671	16.2
149.13222	6.2
150.06757	2.6
151.07526	100.0
157.06439	1.4
158.07288	1.7
159.08037	2.9
159.11684	11.9
160.08821	4.7
161.05957	1.3
161.13254	9.7
163.14816	3.4
165.09091	20.2
171.07872	2.0
172.08818	1.6
173.09641	1.9
173.13214	3.0
174.06726	2.9
174.10458	2.7
175.07553	2.0
175.14838	4.1
176.08247	2.4
177.09076	14.0
179.10670	3.6
186.06668	1.4
186.10287	1.4
187.07579	1.3
187.14874	1.8
188.08315	2.4
189.09047	6.9
189.16327	6.7
191.10649	13.1
197.09573	1.7
198.10326	1.8
201.09117	9.3
201.16376	1.5
202.09837	2.5
203.10620	15.7
203.12390	1.9
205.12236	12.5
207.13759	3.0
209.09723	2.4
210.10464	2.1
212.11911	1.3
213.09201	1.7
214.09868	1.9
215.10686	12.9
215.17929	15.3
217.12157	9.2
219.13875	1.4
224.11937	2.6
227.10625	3.3
228.11401	3.9
229.12181	9.4
230.12743	1.4
231.13757	4.6
240.11404	1.4
241.12195	9.7
242.12852	2.5
243.13802	7.7
245.15466	2.0
251.14270	2.4
255.13785	12.2
257.15311	4.3
266.16586	2.5
269.15311	5.5
271.16965	4.3
283.16785	5.8
284.17349	1.3
285.18326	1.5
294.12222	1.4
297.18460	16.8
307.13300	1.4
311.20074	2.6
322.15622	1.9
353.17438	5.9
353.21225	3.6
353.24689	99.2
354.25125	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	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03927	1.6
55.05507	9.0
57.03421	8.1
57.07050	4.0
58.35838	1.7
60.84692	1.5
67.05499	84.7
68.52409	1.5
69.07061	12.5
69.87520	7.8
69.87926	3.0
71.04977	1.9
75.04481	1.6
79.05486	37.7
81.07047	100.0
82.07381	2.1
83.08630	3.5
91.04976	1.8
91.05484	19.1
92.57784	1.5
93.07037	53.3
93.07626	3.0
95.04978	3.9
95.08596	72.2
97.06514	3.6
97.10170	2.2
99.08085	2.0
105.07014	14.9
107.07882	1.9
107.08580	35.1
109.10142	39.3
111.08073	3.2
111.11671	1.7
113.83619	1.5
117.06997	7.4
119.08546	12.4
121.10130	25.0
123.08062	2.7
123.11675	19.1
125.09630	1.8
131.08545	17.3
133.10127	10.4
135.11679	22.1
137.13246	8.0
145.10103	12.4
147.11652	10.0
149.13251	15.6
151.14772	3.0
159.11668	12.8
161.13242	8.9
162.93167	1.7
163.14832	9.6
165.12602	1.5
166.68600	1.5
173.13254	13.7
175.14766	3.6
177.16406	5.2
179.14246	1.9
187.14847	8.7
201.16374	3.2
233.22516	1.8
242.91643	1.8
243.21014	19.7
261.22116	78.5
279.23172	6.5
314.60388	1.6
335.25787	12.3
353.26755	24.2
362.23557	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.22627	2.2
51.23264	2.5
55.05503	14.0
57.03419	3.9
57.07060	5.3
67.05500	83.3
69.07064	13.9
71.01996	5.7
72.73212	2.3
79.05490	45.4
81.07050	100.0
83.08604	6.0
91.05479	17.7
92.50182	2.2
93.07035	49.9
95.04954	2.7
95.08601	73.0
97.10184	3.3
97.89312	2.5
98.20849	2.6
105.07018	15.6
107.08593	29.6
109.10157	34.8
117.07047	5.2
119.08582	12.8
121.10136	23.3
123.11690	21.2
129.59734	2.6
131.08540	18.6
133.10130	15.5
135.11682	24.4
137.13231	7.0
145.10121	12.3
147.11682	10.7
149.13261	20.8
151.07538	3.1
153.12727	3.3
159.11667	12.9
161.11824	2.4
161.13225	6.4
161.15494	2.7
163.14825	7.6
173.13245	12.1
177.16364	2.9
177.27490	2.2
187.14813	8.1
190.88033	2.4
192.13722	2.3
201.16406	4.8
243.21088	23.5
261.22131	85.1
279.23126	6.7
335.25739	10.5
353.17468	3.9
353.26804	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.9
53.00302	0.7
53.03931	2.9
55.01855	1.2
55.05505	15.7
57.03431	3.3
57.07078	4.8
58.76617	0.6
62.67323	0.6
65.03929	2.8
65.10252	0.8
67.05498	92.4
68.05842	0.9
69.07060	13.7
71.04987	3.3
71.08621	2.0
72.61070	0.7
75.04433	1.0
77.03889	0.7
79.05013	1.5
79.05483	48.7
81.07047	100.0
83.04980	1.5
83.08617	6.0
85.06514	2.9
91.05471	24.0
91.06020	1.6
93.07034	67.5
95.04963	3.0
95.08596	70.5
96.08925	0.9
97.06527	3.4
97.10149	2.5
98.93367	0.7
99.08083	2.5
105.04519	0.8
105.07015	21.3
105.07681	1.3
107.04982	1.5
107.08585	39.8
109.06535	1.3
109.10146	36.0
111.08074	1.3
111.11705	1.7
117.06998	10.4
119.08575	14.1
121.10126	32.5
123.08044	1.4
123.11695	22.2
125.09586	1.5
127.11136	1.1
129.06960	1.2
130.07732	1.0
131.08557	22.7
133.10109	13.2
135.04384	1.2
135.11679	28.5
136.05237	0.8
137.09535	0.8
137.13257	7.1
139.11205	1.1
145.10115	16.6
147.11676	10.0
149.13248	20.1
151.07532	8.3
151.11183	1.1
151.14825	2.6
151.52141	0.8
152.07942	0.9
153.12741	1.5
159.11671	18.2
161.13251	9.2
163.14804	12.6
165.09082	1.1
165.12775	2.1
173.13239	21.0
173.14673	1.1
175.14803	3.6
177.12881	1.3
177.16302	3.9
179.14299	1.8
187.14783	11.4
189.16565	1.1
191.14371	1.3
201.09282	1.0
201.16385	2.5
205.15916	2.0
215.18042	1.2
219.17302	1.3
224.56512	0.9
233.22610	4.7
243.21059	21.6
261.22116	99.2
262.22455	4.3
276.11349	1.0
279.23123	4.1
281.10498	1.4
298.12012	1.1
307.13190	1.5
309.11673	0.8
322.15637	1.2
333.52097	0.8
335.25763	5.5
338.15201	1.0
353.13870	1.1
353.17584	4.1
353.26932	24.5
354.26947	1.1
367.30432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.3
55.01855	1.8
55.05497	14.7
57.03421	4.1
57.07049	6.7
65.03910	2.8
67.05495	98.3
69.07059	13.0
69.47706	16.5
71.04966	3.3
71.08601	2.4
77.03881	2.2
79.05486	47.2
81.07046	100.0
83.08611	7.9
91.05470	24.6
93.06480	4.1
93.07034	53.8
95.04948	3.8
95.08595	71.9
95.26518	1.8
97.06505	4.2
97.10152	3.6
99.08115	2.7
105.07008	16.8
107.08580	38.5
109.09454	3.5
109.10149	36.4
117.06982	8.7
119.08575	14.0
121.10129	31.0
123.11693	20.1
131.08543	19.0
133.10164	10.6
135.10669	3.1
135.11655	26.0
137.13243	7.9
143.15279	1.9
145.10112	18.8
147.11665	8.1
149.12340	1.8
149.13255	18.0
159.11661	13.9
161.13249	8.3
163.14806	10.1
173.13289	16.6
175.14775	2.9
177.16408	2.8
179.14281	2.0
187.14793	11.0
198.30817	2.0
201.16266	2.5
233.22566	5.7
235.23274	2.1
243.21039	24.8
261.22101	93.8
262.22421	4.7
279.23248	3.2
333.49762	1.9
335.25751	7.0
340.88849	2.1
353.26852	22.2
354.27341	3.3
362.22156	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03934	2.3
55.05505	11.8
57.03419	4.6
57.07067	5.4
57.26765	2.8
64.31876	2.0
65.03915	3.6
67.05498	100.0
69.07059	16.5
69.21039	15.7
69.21456	9.1
71.08614	3.1
71.35811	1.8
72.03213	2.2
75.05567	2.2
79.05484	47.7
81.07046	98.7
83.04973	2.3
83.08622	6.9
85.06535	3.9
91.05474	27.2
93.07035	57.4
94.07379	2.3
95.04940	3.8
95.08596	69.7
97.06541	4.1
97.10141	3.2
99.08070	3.6
101.65607	2.2
104.37901	2.2
105.03440	3.0
105.06998	19.9
107.04964	3.2
107.08581	36.0
109.06509	3.0
109.09451	3.8
109.10149	41.1
117.06979	11.0
118.61838	2.1
119.08549	14.8
121.06465	3.6
121.10125	36.2
123.11677	15.1
131.08539	24.0
133.10120	10.4
135.04379	5.6
135.11681	30.0
136.05196	4.1
137.13226	8.4
145.10077	12.4
147.11635	12.2
149.13264	24.3
151.07523	54.1
159.11679	17.0
161.05908	2.8
161.13306	10.8
163.07530	3.9
163.14810	20.0
165.09105	11.4
171.08086	2.6
173.13229	19.5
174.06758	2.6
175.07472	2.6
175.14755	4.4
177.09073	3.5
177.16350	6.4
184.08873	2.8
187.14780	9.4
188.08298	2.6
189.09050	6.1
189.50299	2.4
200.08344	2.2
201.09143	3.4
201.16255	4.4
215.10602	5.8
215.18135	2.2
233.09505	2.2
233.22667	4.1
235.07515	2.5
243.21042	31.6
247.11168	2.9
249.09210	2.4
250.09927	3.8
261.09088	3.4
261.22104	90.0
263.10617	3.5
264.11353	4.1
275.10858	3.4
276.11334	4.3
278.09625	2.4
279.09726	2.2
283.09589	2.4
290.13080	2.9
292.11032	2.5
293.11588	3.1
298.11917	7.5
305.11658	2.4
306.12372	3.9
307.13129	14.8
311.12589	4.0
321.14996	3.9
322.15543	16.6
323.12738	5.5
324.13492	3.6
335.25897	11.2
335.84955	2.3
338.14987	6.3
353.10278	3.0
353.14078	2.9
353.17438	52.4
353.26825	12.4
354.17856	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	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.01949	1.1
53.03938	2.5
53.61407	1.0
55.05504	17.2
57.03423	6.7
57.07064	3.6
65.03934	4.3
65.78295	1.1
67.05497	100.0
69.07063	13.9
69.83922	5.9
71.04977	1.7
71.08612	1.8
79.05486	45.3
79.32663	1.1
81.07047	99.5
83.08612	8.2
85.06534	2.1
85.93909	1.2
91.05475	21.6
93.07034	58.9
95.04956	3.8
95.08595	76.1
96.08945	1.5
97.06511	3.3
97.10162	3.2
98.21414	1.6
99.08092	2.3
105.07020	17.4
107.08579	39.5
109.06491	1.8
109.10146	38.1
113.09650	2.0
117.06997	8.2
119.08575	14.1
121.09319	2.7
121.10125	28.7
123.08090	1.2
123.11691	21.3
131.08553	15.6
133.10109	12.5
135.11681	25.1
137.13234	8.1
145.10100	13.6
147.11673	8.1
149.09634	1.5
149.13249	16.0
151.07526	7.1
151.14801	2.1
153.12674	1.4
159.11671	11.0
161.13284	8.9
163.14784	10.4
173.13232	12.2
175.14827	3.9
177.16405	4.2
179.14217	1.7
187.14836	7.1
201.16437	2.4
213.28714	1.3
215.10681	1.4
233.22665	2.6
243.21066	17.4
255.10120	1.4
261.22092	74.5
262.22479	1.4
264.11560	1.4
279.23135	6.2
298.12259	1.2
307.13199	1.6
311.13058	1.4
322.15512	2.2
327.62833	1.3
335.25763	8.2
353.17426	8.5
353.26810	18.2
353.30817	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	17.0
57.02517	2.3
57.03426	3.3
57.07067	4.9
65.03963	3.0
67.05499	86.6
69.07065	19.1
69.94484	10.9
71.04977	3.3
75.04463	3.5
77.24915	1.8
79.05484	47.6
81.07050	96.5
83.08607	7.5
85.06537	4.0
91.05463	23.9
93.07034	62.6
95.04993	2.2
95.08600	64.7
97.06527	5.6
97.10167	4.7
98.21403	2.7
100.47620	1.9
105.07011	17.6
107.08584	39.8
109.10147	38.9
117.07020	9.2
119.08571	15.2
121.10120	33.4
123.11700	25.8
131.08548	20.2
133.10158	13.4
135.11671	33.5
137.13237	9.3
145.10120	15.5
147.11646	11.1
149.09538	2.1
149.13252	23.1
149.58234	2.1
151.07561	3.2
151.14851	2.1
159.11696	14.9
161.13213	12.2
163.14789	14.3
173.13249	16.6
175.14903	3.2
175.34814	2.0
177.16359	3.4
187.14783	12.1
201.16414	2.9
205.15828	3.7
219.17651	2.4
233.22676	5.3
243.21051	22.2
261.22113	100.0
261.24887	4.8
262.22372	3.0
279.23093	3.6
335.25882	6.0
353.26920	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	354.1178
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03918	0.6
57.03408	0.7
67.05472	0.8
69.03404	1.6
70.66177	1.9
74.04075	0.6
81.03403	1.0
83.14094	0.5
85.02877	3.4
91.05458	2.5
94.06557	3.4
97.02882	1.4
102.63139	0.7
109.02838	0.6
117.05686	0.6
118.06523	7.0
122.06003	4.4
127.03903	1.0
133.02808	0.7
134.06030	1.1
137.62564	0.6
138.78973	0.6
146.05984	16.9
147.06593	0.5
148.07513	0.8
150.05466	1.0
162.05481	0.9
163.03888	2.1
163.36728	0.6
164.07047	7.4
174.05482	100.0
175.05917	2.0
176.07135	0.7
177.83301	0.6
192.06526	55.2
193.05066	3.2
193.06714	0.9
199.38255	0.6
227.71060	0.6
234.07724	0.6
294.09497	0.7
316.78568	0.6
336.10541	1.0
354.11783	55.9
355.12054	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1018
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
67.44173	0.6
71.48561	0.7
71.48880	1.0
79.05492	1.1
89.03900	6.5
89.52747	0.5
107.04922	1.6
111.04457	0.7
117.03362	9.4
135.04408	16.6
145.02827	12.2
145.03867	1.2
163.03891	100.0
164.04242	2.8
181.04768	0.7
193.06841	0.8
197.26662	0.7
198.10968	0.6
236.30405	0.7
303.70447	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1018
Annotation	ST077074
Peak:m/z	Relative Intensity
53.33560	0.5
70.06801	3.1
73.04742	0.5
79.96210	0.4
80.69595	0.5
86.04739	0.6
89.99182	0.6
91.05788	1.0
122.03632	1.3
133.02849	16.7
137.05981	4.3
149.05960	2.1
150.03096	0.8
163.03828	1.1
165.05469	2.3
178.02600	9.2
180.07808	0.9
191.32005	0.6
193.04938	100.0
194.05290	2.6
205.04915	1.5
233.98553	0.7
235.05823	0.9
344.79504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1172
Annotation	Castillene C
Peak:m/z	Relative Intensity
51.02376	1.1
53.03940	0.9
56.17899	0.6
58.96755	0.6
67.05488	1.6
69.07081	0.8
71.52967	0.9
72.04508	1.0
73.04723	1.2
73.87739	0.7
77.03920	0.9
77.74924	0.7
79.05470	4.8
81.07028	1.9
86.26198	0.6
91.05400	0.9
91.05800	2.0
93.07019	0.8
95.04943	2.3
95.08572	1.3
103.05457	4.6
103.06031	0.8
105.03378	1.2
105.07019	4.0
107.04948	3.6
108.10958	0.7
115.05466	0.8
119.04906	1.2
121.06501	2.1
121.10121	1.1
129.07043	1.2
131.04909	13.6
133.06493	2.6
134.07268	1.1
135.04398	100.0
136.05157	2.1
137.05946	1.8
142.07726	1.1
143.08545	0.9
145.06485	3.0
146.03642	0.9
147.04362	1.1
149.02335	2.4
149.05960	1.3
150.06744	5.9
151.03850	0.8
151.07530	31.8
155.08658	0.7
157.10017	0.8
159.04408	0.9
159.08017	2.0
161.05975	9.1
163.03860	1.1
165.05460	1.3
165.09103	30.8
171.08066	1.6
173.05927	1.5
175.07498	0.8
176.04700	1.6
177.05383	1.6
177.09169	0.7
179.10667	2.2
185.09677	1.0
186.10425	5.2
187.07506	4.5
188.08209	1.3
189.05495	1.2
189.09094	2.9
191.10699	1.0
195.08090	0.7
201.09096	1.0
202.09877	8.9
203.08574	3.1
203.10396	0.8
215.10771	1.0
217.08736	1.0
217.12207	20.3
217.14305	1.1
221.11806	1.1
225.09067	1.6
231.08105	2.7
240.11389	0.9
251.10678	1.1
259.07553	1.2
261.09164	6.2
263.10416	1.0
267.13678	0.6
268.97821	1.0
271.13312	1.8
277.12045	1.4
279.10126	0.9
283.09686	0.9
283.13297	0.7
285.00928	1.0
289.08530	5.1
291.13724	1.2
292.14709	1.1
295.13211	2.3
309.14453	0.9
311.12726	3.1
319.09555	4.8
323.12900	1.1
323.16470	2.2
326.15045	2.3
337.10703	7.4
337.14212	1.3
355.07266	1.4
355.11676	5.4
355.15680	1.7
355.19025	19.5
355.22684	0.8
372.49698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1535
Annotation	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
51.00245	1.0
53.03930	1.9
62.13808	1.0
65.03957	1.8
67.05495	1.9
69.07055	3.1
70.81931	2.8
70.82294	2.0
73.04748	1.5
77.03898	1.2
79.05480	8.0
81.07034	4.2
83.04956	1.4
89.03915	2.7
91.05397	8.5
93.07033	2.7
95.04950	4.2
95.08622	5.7
100.66107	1.3
103.05461	3.1
105.03381	1.8
105.07029	6.8
107.04944	7.4
107.08578	2.2
109.10138	2.2
111.04418	4.4
113.72971	1.1
115.05437	2.0
117.06996	1.9
119.04917	3.4
119.08530	2.7
120.75275	1.1
121.06502	3.8
121.10155	1.4
123.04392	3.2
128.06195	1.4
129.06949	2.2
131.04900	3.4
133.06459	5.0
133.10091	2.0
135.04401	100.0
136.04803	1.7
137.05945	8.5
141.06982	1.7
143.08516	1.8
145.06392	2.6
147.04401	12.1
147.11620	1.2
149.02380	3.0
149.05995	12.9
149.09604	2.0
150.06670	1.6
151.03882	10.4
151.07527	38.0
157.06445	3.3
158.07259	1.9
159.07994	3.5
161.05923	4.2
161.13289	1.1
162.06770	3.3
163.07497	6.7
165.05472	5.5
165.06879	2.4
165.09099	6.6
167.06978	2.6
171.08032	2.3
172.08820	4.6
173.05940	5.5
174.06703	2.5
174.10338	1.3
175.07495	3.6
175.14758	1.6
176.08363	1.0
177.05460	1.5
177.09084	3.1
179.07043	2.0
187.07510	4.5
188.08310	16.6
189.09000	4.2
191.07097	1.4
191.10635	4.0
193.08521	2.7
199.07607	1.2
200.08270	1.8
201.05446	2.5
201.09122	1.6
202.09846	2.7
203.10638	26.3
205.08475	1.4
205.12209	4.5
207.08072	2.4
208.08723	1.6
215.10655	20.1
217.08493	1.8
217.12233	3.8
219.08138	1.6
219.10132	4.9
221.09692	1.5
223.07686	1.5
231.09933	1.3
233.09514	3.3
233.11552	2.2
235.07494	2.0
237.08963	1.4
238.06200	1.3
247.11098	2.0
248.08220	2.1
249.09009	4.2
250.09615	1.3
251.06946	2.7
251.10544	1.2
252.07724	1.3
253.08612	1.8
261.09085	3.2
262.09616	1.6
263.06989	3.5
263.10654	1.9
264.07794	1.9
265.08679	2.9
275.10764	2.6
276.11456	2.2
277.08643	3.7
278.09238	2.0
279.06494	1.5
279.09964	3.1
279.13562	2.4
280.07108	1.6
282.08823	1.9
291.10110	6.3
292.10883	3.1
293.08096	1.5
293.11481	1.1
295.09631	8.0
295.12918	2.3
296.10532	1.5
296.14041	2.0
296.90155	1.2
297.11099	1.7
305.11624	1.7
306.12488	6.5
307.09659	2.4
307.13190	4.3
308.10349	4.9
309.11154	3.5
312.13382	2.2
313.62299	1.1
322.11969	5.9
323.09021	1.8
323.12531	3.5
325.14264	1.8
327.15881	4.0
337.10342	2.7
337.14285	35.7
338.14642	2.2
355.06927	2.3
355.11624	11.0
355.15378	16.7
355.19171	2.6
355.33792	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
53.07731	0.8
53.11296	1.0
55.05497	1.8
57.89464	0.8
67.05479	2.7
69.03411	2.5
69.07060	2.1
70.06548	5.1
72.43617	0.8
76.07262	0.9
79.05489	6.1
81.03389	2.5
81.07035	5.3
83.04945	1.2
85.06504	1.4
91.05432	15.2
93.07022	5.1
95.04954	3.2
95.08581	4.0
95.88184	0.8
97.06490	1.5
103.05451	8.7
105.07018	11.5
107.04943	8.5
107.08598	2.7
109.02901	1.3
109.06505	3.0
109.10138	2.2
111.04430	1.0
111.94139	0.9
115.03876	1.0
115.05446	7.2
116.06232	1.0
117.07009	5.7
118.04142	2.1
119.04929	3.2
119.08563	4.6
121.06511	5.4
121.10116	2.8
122.03665	1.1
123.04440	2.8
123.08038	1.2
123.11692	0.9
128.06221	4.7
129.06999	13.1
131.04906	12.9
131.08537	4.3
132.05655	1.6
133.06454	4.4
133.10106	1.7
135.04379	2.6
135.08023	6.0
137.05963	15.9
137.09636	1.0
139.11166	1.0
141.78816	0.9
143.04935	1.7
145.06512	5.9
145.10089	2.1
146.03592	3.3
146.07243	2.6
147.04384	3.6
147.08020	10.0
147.11687	1.1
148.05159	1.4
149.05988	5.7
149.09581	1.0
150.06650	1.1
151.03889	3.7
151.07523	10.9
157.06461	11.6
157.10094	1.0
159.04347	1.1
159.08038	3.0
160.05217	5.0
161.05963	100.0
161.09552	5.3
162.06326	2.7
163.03868	2.7
163.07523	15.3
165.05469	1.0
165.07043	1.3
165.09050	5.7
166.04974	1.5
167.06976	2.6
167.08315	1.1
171.08136	1.0
173.06004	1.9
173.13202	1.1
174.06683	6.8
175.03899	3.5
175.07533	59.8
175.14783	2.1
176.07944	0.9
177.05493	2.5
177.09032	1.4
178.07790	3.4
179.08472	1.4
181.08569	1.6
185.05899	2.7
187.07567	2.4
189.07275	1.4
189.09076	27.8
190.07631	1.1
191.07010	1.3
191.08545	2.7
193.08585	5.1
193.12233	1.1
193.15871	1.2
194.04465	3.9
195.08035	1.4
197.05919	0.9
199.07486	2.1
201.05467	3.8
201.09038	1.5
203.06934	1.8
203.08633	1.2
204.04173	1.2
205.06516	2.8
205.08470	2.0
206.07306	3.5
207.08176	1.8
207.10123	6.5
208.08745	2.5
209.09729	1.1
211.07503	1.5
213.09067	2.0
217.06537	1.1
217.10162	3.0
218.07246	4.3
219.08031	5.5
220.08759	2.9
221.05927	3.4
221.09517	1.9
222.06610	1.4
223.07541	1.4
223.11130	2.2
225.09094	1.1
231.08121	2.1
233.05981	2.0
233.09503	1.3
234.04692	1.1
234.06726	6.5
234.10309	1.8
235.07524	5.7
236.08279	3.9
237.09055	3.2
245.05945	4.0
245.09538	4.3
246.10439	1.9
247.07489	3.7
248.08301	3.5
249.05339	1.4
249.09064	10.7
249.12688	1.3
250.06125	1.6
251.06990	3.1
251.10605	8.8
252.11398	1.3
253.08450	2.6
261.05432	1.0
261.09167	2.3
262.06357	4.6
262.09802	2.8
263.06976	3.1
263.10593	1.6
264.07794	4.9
265.08475	3.5
267.10056	1.1
273.09103	2.1
275.06943	1.5
276.07767	1.8
277.08569	16.3
277.12173	7.8
278.09125	2.2
279.06720	2.2
279.10101	10.5
280.07025	1.3
280.10794	1.5
281.08090	3.7
281.11343	1.5
283.13336	1.8
290.09232	1.6
291.10168	2.8
293.08014	3.7
293.11240	1.1
294.08749	3.8
295.09622	2.6
295.13034	1.8
296.10339	5.0
301.21558	1.4
305.08325	2.0
305.11386	5.5
307.09674	1.3
308.10214	2.0
309.11172	11.9
311.09451	1.6
311.12717	35.9
312.13184	2.7
322.11786	1.7
323.09283	2.1
323.12671	4.4
325.10687	1.7
325.14307	1.3
327.12109	2.5
337.10779	2.1
337.14313	8.9
355.07504	1.6
355.11526	7.9
355.15649	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	355.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01857	2.9
55.05501	2.6
57.03421	1.7
57.07058	2.0
58.06586	0.9
65.03934	2.6
67.05495	6.0
69.03427	3.9
69.07054	4.2
69.55555	7.7
71.04977	1.9
73.02888	1.0
79.05496	7.0
81.03407	2.4
81.07053	8.9
83.04967	3.5
83.08611	1.7
85.02911	2.0
85.06538	2.7
86.81328	0.9
89.03963	0.9
91.05433	18.6
93.07033	7.7
95.04961	7.0
95.08591	6.3
97.02861	1.0
97.06508	2.5
103.05476	7.0
105.07026	14.6
107.04951	7.1
107.08582	5.1
109.02910	1.1
109.06492	5.7
109.10155	4.1
111.04445	2.1
111.08053	1.6
115.05467	6.7
117.07009	5.8
118.04158	2.7
119.04914	4.0
119.08579	6.6
121.06467	5.5
121.10136	4.4
122.03661	3.6
123.04421	4.0
123.08065	2.8
123.11740	2.3
125.09630	1.4
127.03917	1.9
127.07549	1.6
128.06247	6.2
129.07008	12.9
131.04924	13.0
131.08569	3.2
132.05687	3.0
133.02847	1.4
133.06464	4.2
133.10132	4.5
135.04413	12.2
135.08018	7.0
135.11658	1.8
137.05960	29.1
137.09615	1.8
139.11136	2.2
141.05486	1.0
141.06987	1.2
143.04926	2.5
143.08513	1.3
144.05705	2.3
145.02910	2.4
145.06474	7.3
145.10089	2.1
146.03621	3.3
146.07262	2.3
147.04419	3.4
147.08037	7.8
147.11661	1.7
148.05182	2.1
149.05998	6.6
149.09621	1.3
150.06772	1.1
151.03900	16.7
151.05029	2.1
151.07541	11.2
151.11201	2.3
153.05486	1.5
156.05635	1.1
157.06448	9.1
157.10118	1.2
158.07277	1.6
159.08063	2.1
159.11656	2.2
160.05177	6.0
161.05971	100.0
161.09567	6.0
162.06432	1.7
163.03900	4.5
163.07518	14.8
163.11174	1.2
165.05467	4.8
165.06967	2.4
165.09109	4.7
165.12688	1.8
167.07019	3.1
170.03621	1.1
171.07977	1.3
173.05949	3.0
174.06714	5.5
175.03979	3.1
175.07527	60.0
175.14793	2.9
176.07863	1.6
177.05470	3.4
177.09138	2.7
178.07814	2.7
179.07066	1.1
179.08559	2.7
179.10677	1.4
181.06508	1.8
181.08650	1.8
182.07146	1.3
185.06020	3.3
187.07492	8.1
188.08183	1.4
189.05553	1.4
189.07285	1.9
189.09077	32.5
190.07857	1.3
190.09531	1.3
191.07031	2.3
191.08620	2.2
193.04959	2.7
193.06805	0.8
193.08611	4.9
193.10181	1.2
193.15869	2.3
195.07996	1.6
199.07539	2.6
201.05424	5.9
201.09081	1.9
202.07797	2.2
203.06992	2.7
203.08629	1.7
205.06525	5.2
205.08585	3.6
206.07198	5.1
207.08105	3.3
207.10173	7.2
208.08817	2.2
211.07582	1.3
213.09129	2.4
215.06917	1.8
217.06511	2.9
217.08392	1.2
218.07167	3.5
219.08136	6.2
220.05133	1.4
220.08740	2.5
221.05971	3.9
221.09650	3.1
222.06723	2.1
223.07579	2.9
223.11206	3.1
225.09099	1.6
231.08127	2.2
231.10170	1.7
233.05911	2.7
233.09624	1.3
234.06744	8.8
234.10466	2.6
235.07574	11.3
236.08302	3.9
237.09114	3.3
245.05963	4.5
245.09520	4.4
246.06775	2.1
246.10399	1.6
247.07468	3.5
248.08336	3.5
249.05499	2.1
249.09108	12.9
250.06186	1.2
250.09717	2.0
251.06920	4.6
251.10645	8.3
252.07773	2.7
253.08524	2.0
261.05545	1.4
261.09088	2.6
262.06320	5.8
262.09854	2.7
263.07059	7.0
263.10715	1.7
264.07623	4.4
265.05902	0.9
265.08533	5.6
266.05624	1.1
266.09244	1.9
267.10272	2.5
269.57037	1.0
273.09103	3.3
274.09695	1.0
275.07181	1.4
275.10413	1.0
276.07755	2.5
277.08600	15.0
277.12219	9.3
278.09302	2.0
279.06494	2.5
279.10150	9.4
280.07288	1.3
280.10760	1.8
281.08145	2.9
281.11749	1.7
283.09848	1.1
283.13336	1.9
285.01144	1.7
290.05920	1.5
290.09293	2.4
291.10172	2.9
292.07452	1.4
293.08090	6.5
293.11307	1.8
294.08859	4.1
295.09631	4.1
295.13174	1.9
296.10327	5.4
297.10742	1.5
298.11902	1.6
301.21616	2.0
305.08163	2.3
305.11722	6.2
306.12402	1.1
307.09601	2.2
308.10272	1.6
309.07712	2.0
309.11151	14.1
311.09189	2.2
311.12769	35.8
312.13501	2.9
323.09052	2.5
323.12787	5.2
325.10614	3.8
325.14151	1.7
327.12289	4.4
337.10580	3.2
337.14380	8.7
337.23532	1.3
355.07742	2.0
355.11664	21.3
355.15680	20.3
356.11951	1.9
356.15915	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1536
Annotation	(-)-Aristotetralone
Peak:m/z	Relative Intensity
55.01863	4.9
55.05495	6.3
57.07054	4.2
65.03942	2.0
67.05483	9.4
69.03406	3.3
69.07063	11.8
69.29431	2.1
69.85764	5.0
69.86177	7.9
71.04994	7.5
71.06184	2.1
79.05475	9.4
81.07044	28.5
81.17739	2.5
83.04980	3.7
83.06689	2.0
83.08612	5.5
85.06498	4.8
91.05460	8.1
93.07032	8.3
94.04162	2.9
95.04936	6.0
95.08582	16.2
96.35834	2.0
97.10142	3.1
98.21570	2.4
103.05460	6.0
105.07020	13.4
107.04939	8.9
107.08570	7.6
108.05759	3.6
109.02834	3.6
109.06495	5.1
109.10161	12.2
111.04472	2.5
115.05445	6.3
117.06989	4.6
119.04910	5.1
119.08563	6.2
121.06499	3.3
121.10116	8.0
122.03608	8.9
123.04390	4.2
123.11685	7.3
125.05943	2.9
128.06175	4.3
129.06963	6.6
131.04878	8.3
131.08488	2.6
133.02837	5.4
133.10106	4.6
135.04379	5.6
135.11668	4.2
136.05170	7.2
137.05966	100.0
137.13264	3.0
141.07002	5.2
143.08461	2.1
144.05630	3.4
145.06541	10.3
145.10127	4.5
146.07272	3.5
147.04326	2.7
147.11684	3.9
148.05228	2.7
149.05963	7.8
149.09610	2.9
151.03886	6.9
151.07523	76.7
157.06458	8.6
157.10109	2.7
158.07237	8.9
159.07986	4.4
159.11694	3.3
160.05168	4.9
161.05966	6.0
161.13243	3.4
163.03915	3.5
163.07526	7.8
163.11192	3.0
163.14801	2.2
165.05469	5.9
165.06903	2.8
165.09077	11.1
166.07793	2.1
167.07048	6.5
172.08839	4.2
173.05908	3.7
174.06758	7.3
175.07545	20.5
175.14853	2.7
177.05386	8.6
177.09074	6.4
179.07077	11.6
181.06480	6.0
181.08446	2.5
182.07239	4.0
187.07480	15.9
188.08319	14.2
189.05443	4.2
189.09088	21.2
191.07036	8.0
193.08585	7.6
195.08067	2.3
199.07516	4.7
201.05464	7.3
201.09047	37.9
202.09816	5.9
203.08733	4.0
203.10663	11.8
205.06479	5.0
205.08475	2.4
207.08035	6.8
210.06760	7.1
211.07561	10.2
213.09033	5.1
215.08630	3.9
217.08548	5.5
217.12125	5.4
218.07222	3.3
219.08047	9.8
219.10075	4.1
220.08775	4.5
221.06010	3.1
221.09572	2.5
223.07404	3.1
224.08328	3.2
225.09055	9.3
226.06299	5.6
227.06984	10.8
231.08009	7.8
231.10155	17.0
232.08786	3.9
233.09627	10.8
234.06718	5.9
234.10423	3.4
235.07460	12.4
235.11191	2.4
236.08215	4.6
237.09088	5.3
239.07011	12.0
239.10519	2.9
240.07683	3.4
241.08556	29.9
245.09595	5.2
246.10320	6.4
247.07599	13.7
248.08293	9.5
249.09029	5.2
251.07045	3.4
251.10542	3.1
252.07724	4.0
253.08530	8.1
254.09357	31.5
255.06439	11.8
255.09915	5.7
259.07593	3.0
261.09042	14.7
262.06201	5.1
262.09793	9.5
263.07050	7.1
263.10651	13.0
264.07642	6.0
265.08453	6.6
265.11984	2.3
266.09448	3.4
267.06628	2.7
267.10141	6.9
267.13651	2.2
268.10782	2.6
269.08044	20.2
270.08835	19.0
273.09052	4.1
274.09814	7.7
275.10593	4.2
276.07745	10.2
277.08578	7.0
277.12155	10.8
279.06494	3.7
279.10126	9.8
280.07379	5.8
281.07977	5.9
282.08847	6.3
283.09573	3.1
284.10376	62.6
285.11142	55.1
285.14288	3.4
286.11423	4.0
290.09384	8.9
291.06625	4.2
291.10056	30.6
292.07236	3.1
292.10663	4.3
293.08463	3.7
293.11520	11.7
294.09241	2.4
294.12442	4.0
295.09619	14.7
295.13025	4.4
296.10352	4.2
297.11169	21.5
298.11847	2.8
305.08258	3.6
305.11612	42.6
305.14975	2.6
306.12387	33.6
307.09610	12.0
308.10193	3.4
309.07809	2.9
309.11298	6.7
310.11923	15.2
311.12738	8.4
319.26230	4.0
322.11975	17.4
323.09003	7.8
323.12701	11.0
325.10794	4.4
325.14203	19.4
327.12262	3.7
327.15820	6.8
337.10571	9.0
337.14285	57.3
355.07547	3.8
355.11578	22.9
355.15372	38.7
355.18976	6.2
355.26056	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	355.1724
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
67.05497	0.5
69.93235	1.1
79.05466	0.3
81.07034	0.6
91.05442	0.4
93.07037	0.5
95.08611	0.3
98.21481	0.5
105.07051	0.5
107.08567	0.3
108.93815	0.3
109.06489	0.3
119.08539	0.4
121.10144	0.4
133.10107	0.5
135.11638	0.4
136.71901	0.3
137.05962	0.7
145.10197	0.4
159.07970	0.2
167.07040	0.4
175.14755	0.7
201.05403	0.5
205.96071	0.3
263.07010	0.3
285.07031	0.3
315.32251	0.2
355.17230	100.0
356.17679	2.8
373.61951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1723
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
50.07920	0.5
67.05508	0.5
71.04353	0.5
71.04697	1.0
73.04746	0.5
76.82194	0.4
79.05515	0.5
89.03799	0.4
90.96185	0.5
93.07021	0.9
95.06124	0.5
95.08597	1.2
105.07021	0.7
109.10164	0.7
109.71324	0.4
117.74831	0.5
123.04430	0.8
137.05960	1.6
165.09138	0.5
173.05869	0.5
177.05409	0.8
193.12117	0.4
201.03683	5.0
201.05444	1.1
203.05272	6.2
203.07042	0.7
235.07587	0.5
263.07007	0.4
281.08563	0.4
303.94211	0.4
304.28949	0.4
305.08163	0.5
325.16238	0.5
355.17239	100.0
356.17496	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	355.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	13.0
67.05498	1.7
69.03423	2.0
69.27269	6.8
71.04977	1.0
73.96035	0.7
79.05474	2.5
81.07052	2.1
85.02903	0.9
91.05426	4.1
91.20948	0.7
93.07032	2.0
95.04971	1.0
95.08597	1.0
99.04453	1.0
103.05466	5.0
103.56343	0.7
105.07026	6.6
107.04955	3.2
107.08573	0.9
109.06508	1.6
109.10118	1.7
111.08115	0.7
115.05454	1.8
117.07024	1.3
119.04945	1.2
119.08578	1.5
121.06534	2.0
122.03604	0.9
123.04479	0.9
123.08030	1.2
125.09641	0.9
128.06233	1.9
129.07021	3.8
131.04918	7.9
131.08591	1.5
133.02802	0.9
133.06506	3.6
133.10159	0.9
135.08090	2.2
137.05954	10.3
143.04858	0.8
145.06502	2.9
145.95023	0.8
147.04384	1.2
147.08040	1.4
147.11617	0.9
149.05969	2.1
151.03893	1.2
151.07510	6.2
153.05434	1.0
157.06493	2.7
160.05168	1.8
161.05956	20.8
162.06425	0.8
163.03917	1.4
163.07520	10.6
163.08769	0.8
167.07024	4.4
173.06023	1.0
173.89917	0.7
174.06793	2.2
175.07526	13.6
175.08997	1.0
177.09203	1.3
181.06659	0.7
181.08624	2.3
185.05917	0.8
187.07510	1.5
189.09067	7.0
191.08607	1.1
193.05014	1.2
193.08549	8.8
193.10060	0.9
199.07602	1.1
201.03783	1.0
201.05489	1.8
201.09088	1.8
203.05312	1.8
205.06615	1.3
206.07314	1.0
207.08139	1.1
207.10167	1.4
208.08864	1.2
219.08037	2.1
220.08757	1.2
221.05891	1.1
221.09613	0.8
223.11339	0.9
231.10149	1.5
233.09682	0.9
234.06763	2.0
234.10434	1.2
235.07576	2.9
236.08287	3.4
237.08952	1.6
238.06361	1.0
245.05896	1.0
245.09602	1.2
247.07552	1.9
248.08247	3.5
249.09128	3.3
251.07153	1.1
251.10739	3.2
252.07861	1.4
253.08641	0.8
261.09024	1.2
262.06573	0.9
262.09854	1.3
263.07169	1.4
263.10791	2.1
264.07785	4.1
265.08591	3.1
275.10574	1.1
276.08032	0.9
277.08600	3.7
277.12091	1.9
278.09247	0.9
279.10098	8.5
280.07584	1.2
280.10953	1.7
281.08203	2.7
291.10117	1.4
292.07513	0.8
293.08328	1.4
293.11752	1.0
294.08771	1.4
295.09537	1.4
295.13080	0.8
296.10428	2.5
305.11691	2.5
306.12564	0.9
308.10043	0.8
309.11237	3.2
311.12729	12.3
313.10764	1.3
323.09131	1.3
323.12860	1.8
325.14429	1.1
327.12064	1.3
337.10678	1.2
337.13989	3.6
355.17303	100.0
356.18399	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	355.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65011	0.6
67.05503	1.7
70.02877	1.8
70.03300	2.6
79.05515	4.3
91.05431	4.9
93.07050	0.8
95.08597	0.9
103.05476	2.1
103.87640	0.7
105.07026	7.8
107.04961	6.1
108.05757	3.3
109.06492	1.2
110.30488	0.7
118.04185	1.6
120.05700	1.2
121.06507	3.4
122.52231	0.7
129.06958	0.9
131.04918	0.9
132.05701	0.7
133.06450	4.8
134.07253	4.3
135.04408	6.7
135.08041	2.3
136.05183	23.8
137.05968	0.9
137.63313	0.7
139.07504	1.2
142.07805	1.0
143.08562	2.7
145.06529	0.7
149.05920	1.1
150.06758	23.7
151.07530	100.0
157.10120	1.4
159.08034	2.5
165.09100	98.0
166.09468	1.3
171.08029	2.6
172.08818	1.3
173.09593	1.2
175.07491	1.5
179.10638	10.9
186.10382	11.0
187.07556	7.7
188.08336	1.1
189.09061	2.0
202.09874	26.1
203.10406	1.0
217.12227	43.4
285.00943	1.2
297.11069	1.1
312.13452	1.1
355.15298	1.6
355.19025	14.2
360.58096	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.19
Annotation	(-)-Cyclogalgravin
Peak:m/z	Relative Intensity
52.77573	1.0
56.79234	1.2
57.04010	1.1
68.28584	1.1
71.19131	1.8
79.05480	3.1
80.06287	1.5
90.04623	1.0
91.03139	1.0
91.05482	3.5
103.05453	1.5
105.07021	4.2
107.04941	7.3
108.05721	2.0
111.85564	1.0
120.05721	1.3
121.06479	1.3
129.06990	1.5
133.06471	5.3
134.07274	3.1
135.04430	5.9
135.08051	1.8
136.05168	5.2
142.07756	2.6
143.08563	3.6
145.06465	5.4
150.06764	16.4
151.07533	78.9
152.07875	2.3
152.43431	1.1
157.10132	1.3
159.08034	7.2
165.09106	72.8
166.09384	1.8
171.08031	8.1
172.08784	1.7
173.05981	1.9
173.09654	2.1
174.06818	2.2
175.94574	1.1
176.58664	1.3
179.10704	6.3
185.09570	1.2
186.10397	28.0
187.07527	16.6
187.11028	2.0
188.08316	3.5
189.09100	2.7
202.07997	2.6
202.09875	49.2
203.10217	2.5
217.12222	100.0
218.12631	3.2
237.08974	1.4
252.11333	1.2
270.19763	1.1
283.13269	1.4
294.11960	1.3
295.13354	7.6
297.11185	1.4
309.14304	1.1
311.12775	8.4
314.04617	1.1
324.17084	1.6
326.15259	7.1
326.18530	1.5
355.18997	81.4
356.19363	3.3
367.19736	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
61.13546	0.6
64.54309	0.8
70.78047	2.5
73.04746	1.2
75.90015	0.8
79.05484	2.9
81.03380	1.1
81.37303	0.8
89.58131	0.8
91.05470	3.7
93.07043	1.9
93.97797	0.7
95.05013	0.9
95.08673	1.1
95.52040	0.8
97.18764	0.9
103.05462	2.3
105.07023	7.9
107.04933	5.4
108.05718	2.0
109.10137	1.0
118.04198	1.1
119.04907	0.9
120.05671	1.3
121.06497	2.4
123.04461	0.8
129.06946	1.1
131.04947	1.5
133.06467	5.5
134.07243	4.0
135.04376	5.9
135.08043	2.8
136.05147	2.9
137.05934	1.4
142.07858	1.2
143.08492	1.5
145.06464	1.5
149.02359	2.6
150.06761	14.6
151.07529	68.3
152.07854	1.5
159.08086	2.8
161.06000	1.0
163.03783	0.9
165.09100	100.0
166.09462	1.7
166.13225	0.8
171.08058	3.5
172.05118	0.9
173.09682	1.9
177.05537	1.1
179.10660	5.5
186.10413	10.0
187.07542	6.1
188.08188	1.2
189.09119	1.0
189.82709	0.9
202.09883	22.2
203.10429	1.6
217.12216	56.6
237.08966	1.0
254.09227	0.9
267.10123	1.7
268.11032	1.3
277.08701	0.8
279.10074	0.8
280.10709	0.8
283.13354	1.7
285.09988	2.6
295.13297	1.9
297.11285	1.0
298.12286	1.0
309.14694	1.0
311.12741	10.7
312.13333	1.3
326.15109	13.1
337.14178	0.8
355.12009	1.3
355.18994	34.3
356.19516	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44538	0.2
53.03946	0.3
57.03415	0.3
60.62390	0.2
69.64404	1.6
77.03897	0.3
79.05483	3.1
80.06279	0.3
90.04663	0.3
91.05461	2.6
93.03391	0.2
93.07037	0.3
95.04984	0.4
103.05447	2.1
104.06239	0.3
105.03384	0.4
105.07021	6.7
107.04936	6.3
108.05747	2.5
109.06511	0.3
110.64159	0.2
113.39687	0.3
115.05447	0.3
118.04144	1.3
119.04950	1.1
120.05701	0.9
121.06499	2.1
122.07253	0.8
123.08051	0.3
129.06998	0.4
131.04918	0.8
131.08484	0.5
133.06477	5.3
134.07257	4.6
135.04399	4.3
135.08003	2.1
136.05182	5.5
137.05983	0.5
138.06772	0.4
139.07529	0.4
142.07732	0.7
143.08516	1.0
145.06465	1.0
149.05939	0.6
150.06744	19.4
151.07524	75.4
152.07910	1.5
157.10141	0.9
158.07285	0.4
159.08038	2.2
160.77061	0.2
165.09093	100.0
166.09427	2.1
170.07285	0.4
171.08028	2.2
172.08778	0.9
173.05934	0.5
173.09578	1.0
174.10344	0.3
175.07495	0.5
179.10658	7.3
180.10934	0.4
185.09621	0.3
186.10379	9.0
187.07524	5.9
187.10968	0.4
188.08241	1.0
189.09029	0.8
191.10683	0.3
201.09103	0.2
202.09866	24.9
203.10388	1.1
204.11394	0.5
217.12210	53.6
218.12564	2.0
237.08983	0.3
238.09950	0.3
253.08453	0.3
254.09142	0.3
255.10036	0.3
265.08618	0.4
267.10034	0.3
268.10892	0.4
281.11438	0.3
282.12506	0.4
283.09729	0.6
295.13150	1.3
297.11273	1.8
298.11932	0.6
300.86102	0.2
309.14783	0.4
311.12741	2.6
312.13461	1.7
313.14307	1.0
324.16992	0.4
326.15088	1.1
355.19000	21.6
356.19266	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2838
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03925	3.8
55.05500	36.6
57.03431	11.6
57.07069	14.8
59.65339	2.3
67.05496	91.7
67.77554	2.1
68.47171	1.9
69.07056	47.8
70.06575	2.9
70.68177	4.4
70.68560	4.5
71.04981	2.3
71.08608	6.5
79.05482	32.5
81.07044	100.0
82.07383	3.8
83.04982	3.7
83.08608	35.6
85.06534	4.5
85.10178	3.0
88.07600	3.7
91.05444	24.4
93.07034	36.9
94.72454	2.0
95.04928	4.0
95.08595	95.3
97.06537	11.1
97.10153	23.3
99.08078	4.7
103.03940	3.1
105.07024	18.5
107.04976	2.9
107.08565	25.6
109.10142	46.8
111.08067	6.6
111.11704	7.9
117.07041	2.1
119.08566	19.9
121.10134	35.6
123.11677	27.1
125.09621	4.5
133.10098	19.4
135.04390	3.1
135.11685	15.0
136.05209	3.2
137.05968	2.8
137.13232	12.1
145.10095	3.4
147.11659	19.6
149.13266	16.1
150.06750	7.1
151.07507	29.3
151.11154	4.6
151.14819	8.0
152.07808	2.3
153.03851	2.3
159.08028	3.0
161.13203	15.4
163.14790	15.9
165.05421	4.4
165.09085	27.9
165.16360	8.5
175.14803	14.7
177.16400	3.0
179.10674	4.1
179.14304	2.9
179.17999	4.5
187.07526	3.2
189.16368	7.7
191.10605	2.6
202.09865	7.2
207.17419	2.6
217.12215	15.4
240.51149	2.2
245.22612	53.4
245.24982	4.2
246.22958	2.6
263.23669	53.3
264.24124	2.8
337.27374	33.1
337.31439	3.3
337.32938	2.7
355.18860	7.9
355.22882	2.9
355.28351	14.2
355.33896	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2839
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.01882	3.3
55.05507	37.1
57.03424	11.9
57.07076	17.5
63.29085	2.4
67.05499	72.0
69.07066	43.2
69.31509	7.7
69.31929	20.6
71.04988	4.0
71.08623	7.3
79.05482	33.3
81.06584	6.4
81.07052	100.0
83.08607	36.5
85.06539	6.8
91.05445	19.3
93.07030	31.1
95.08601	84.3
97.06533	9.6
97.10159	25.2
99.08050	5.4
103.03922	3.5
105.07024	21.1
107.08592	23.0
109.10155	39.8
111.11721	7.2
113.09631	3.7
119.08560	12.8
121.10142	29.0
123.11694	27.3
125.13280	4.8
127.11169	4.0
129.05450	6.0
133.10107	21.1
135.11658	17.1
137.09592	3.9
137.13217	10.4
139.11133	3.0
147.11696	16.9
149.13252	13.9
150.63086	3.1
151.07504	19.5
151.14792	6.1
152.96547	2.9
159.11775	2.8
161.13260	15.6
163.14835	16.0
165.09077	16.4
165.16345	8.1
175.14798	14.6
179.17944	4.5
189.16312	3.8
202.09866	5.2
207.84668	2.7
217.12256	15.5
245.22630	52.5
253.25316	3.0
263.23682	48.7
271.37570	2.5
337.27286	33.4
338.27661	3.5
355.18781	8.8
355.23663	3.6
355.28387	24.4
356.18518	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	355.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	50.3
57.07070	29.9
66.90937	4.2
66.96622	5.5
67.05502	27.5
69.07061	100.0
69.27303	17.9
69.27727	25.5
71.08630	23.5
71.32262	3.9
79.05481	13.4
81.03394	17.9
81.07049	54.4
83.08607	79.2
85.10167	8.8
91.05396	8.9
93.07021	20.4
95.04973	6.4
95.08598	55.9
97.06517	10.5
97.10162	48.3
101.44990	4.6
105.07009	12.0
107.08588	19.8
109.10143	34.9
111.08035	10.5
111.11723	28.4
116.04505	4.8
117.84666	5.1
119.08585	13.7
121.10144	17.8
123.08068	7.0
123.11694	10.4
125.09610	6.9
125.13224	13.1
129.06937	4.9
129.09113	8.0
133.10071	8.4
135.11693	11.5
136.05208	4.9
137.13228	5.5
139.11160	9.7
141.09111	5.0
142.52150	4.3
147.11682	13.2
149.13237	14.9
150.06790	7.2
151.07564	38.5
152.07866	5.1
152.57010	4.6
153.12775	10.8
163.14830	6.4
165.09105	32.4
165.12737	4.6
167.14265	6.3
171.13806	5.9
175.14731	4.7
187.07500	13.6
191.10616	6.5
193.12257	7.1
193.15805	6.0
202.09851	7.0
211.13342	8.8
217.12280	11.8
241.26360	4.3
275.53259	4.8
294.56750	4.4
301.28802	7.0
311.12296	4.8
319.29926	12.9
337.30969	8.9
355.18521	31.3
355.27942	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	356.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.01860	2.3
56.96558	10.4
57.03428	5.6
61.02927	5.8
65.03925	2.3
67.05472	1.6
69.03427	13.7
69.07054	1.2
70.06582	2.0
71.04973	2.8
71.52618	1.5
71.88117	0.9
73.02899	4.3
73.04755	1.9
73.06521	1.1
75.04443	1.1
79.05486	5.3
81.03404	6.7
81.07019	1.2
82.88026	1.3
83.04977	1.3
84.96022	2.2
85.02899	26.0
87.04457	4.2
87.08086	1.0
91.03944	1.1
91.05434	6.0
91.05807	5.8
93.07021	2.1
97.02887	14.3
97.06513	1.0
98.97580	21.2
99.04440	4.0
101.02347	1.4
102.96838	1.8
103.05454	3.3
105.07018	5.7
107.04966	1.9
109.02866	4.7
109.06494	1.0
110.97562	2.4
115.03921	1.5
115.05519	1.1
116.98608	15.4
117.05741	12.0
117.07041	1.4
119.01817	1.7
119.04943	5.2
120.08064	3.3
121.06535	1.6
122.05988	1.2
123.04397	1.5
123.08055	1.0
127.03886	4.3
128.98579	3.5
130.06488	3.0
131.00137	2.4
131.07323	1.2
132.08072	15.6
133.01671	1.7
133.05202	6.5
133.47758	1.0
134.99644	4.8
135.04393	2.2
136.06201	1.2
136.07568	1.8
137.05948	12.2
137.08322	3.3
138.05472	2.2
143.01868	1.5
145.04994	2.7
145.18472	1.0
146.99625	3.2
147.03242	1.6
147.04370	10.2
147.06761	3.3
148.07562	43.2
149.01213	1.7
149.05966	1.3
149.07870	1.6
150.05489	8.8
150.09157	2.1
151.07486	2.3
155.04668	1.4
158.99602	6.5
159.05025	1.3
160.07552	9.6
161.01270	2.3
161.04803	1.9
163.02673	2.0
163.03824	6.5
164.04213	4.2
164.07083	4.1
165.07530	1.2
166.08598	14.3
167.02103	0.9
167.07007	3.7
168.04025	1.5
168.05396	9.1
168.55597	1.8
173.04845	3.0
176.07050	55.3
177.00679	7.9
177.04266	1.8
177.05936	16.9
177.56163	1.2
179.07092	2.2
186.04419	1.6
187.02776	1.2
188.56758	2.6
189.04364	1.5
191.02252	1.3
191.04065	1.3
191.05911	3.7
194.08110	49.3
194.09938	2.0
195.08510	1.2
197.01215	1.6
201.00789	1.3
203.07617	1.6
208.04999	1.5
209.06808	1.5
215.05794	1.3
219.01733	6.7
231.05231	1.7
233.06740	1.6
237.02734	9.6
249.08147	1.1
253.03871	2.1
266.09229	9.9
266.59164	1.0
275.09656	1.3
280.07190	2.3
286.00995	3.0
296.07367	1.2
309.08591	3.0
314.07999	1.6
321.08374	1.3
335.10095	4.4
347.11697	8.1
347.61905	2.6
348.87314	1.1
353.11148	1.4
356.06796	3.4
356.13339	100.0
357.07086	1.3
357.13538	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	356.1852
Annotation	Secoxanthoplanine
Peak:m/z	Relative Intensity
56.05029	0.5
58.06596	100.0
59.06926	0.7
70.15746	2.2
75.61021	0.5
76.28660	0.5
87.50180	0.6
116.49026	0.5
137.89995	0.6
165.07014	0.9
166.07779	0.5
178.07808	1.6
179.08502	0.8
190.07777	1.1
191.08549	5.2
192.09276	0.9
193.06483	0.7
193.10100	0.5
194.07205	1.0
202.07787	0.7
203.08640	0.7
205.06445	1.1
206.07307	2.0
207.08069	2.5
208.08824	3.2
209.09607	1.0
211.11020	0.5
218.07289	1.5
219.08037	5.3
220.08838	2.2
221.05981	1.4
221.09618	1.9
222.06677	0.7
223.07518	0.9
223.11191	1.6
231.08063	2.2
233.09514	1.2
234.06651	1.0
235.07545	5.5
236.08286	19.7
237.09055	4.3
238.06088	3.0
238.09943	0.7
246.06801	0.6
247.07527	10.7
247.09921	0.8
248.08315	22.5
249.05426	1.2
249.09006	3.0
250.09845	1.2
251.06960	1.1
251.10634	9.8
253.08591	5.1
261.09052	0.8
262.09998	1.2
263.06952	3.5
264.07797	23.7
265.08572	18.9
266.09387	0.6
267.10150	1.2
277.08795	0.6
278.09326	1.0
279.10132	51.3
280.10889	14.9
281.08093	11.6
281.11563	2.4
283.09570	0.7
294.12479	1.1
296.10413	12.4
297.10922	0.6
298.11871	1.1
306.56793	0.6
311.09299	1.3
311.12729	29.1
312.13141	0.9
313.14288	4.7
324.15817	0.8
356.18515	97.5
357.18823	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	357.1177
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
57.01431	0.4
61.16682	0.3
65.03904	0.4
66.53335	0.3
69.03419	0.4
70.01905	0.9
70.02297	0.7
70.06551	0.4
79.05488	0.5
81.07037	0.4
85.02891	0.8
90.62734	0.3
91.05412	1.8
94.04163	1.5
95.01317	1.9
95.04967	0.4
97.02880	0.4
98.21445	0.4
103.05453	1.0
107.04932	0.6
110.36269	0.4
119.04941	1.5
122.03632	4.8
123.04447	0.8
131.04924	1.2
137.05966	100.0
138.06285	2.6
139.03880	0.6
141.01807	1.0
143.46707	0.4
149.05879	0.4
151.07507	1.2
161.05943	0.9
163.03967	0.4
163.07530	1.9
165.05594	0.3
167.07042	1.7
177.03970	0.6
177.05339	0.4
181.05014	0.9
181.08589	1.8
193.05043	0.4
193.08656	0.5
223.07201	0.6
243.92545	0.4
357.15088	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1328
Annotation	Pluviatolide
Peak:m/z	Relative Intensity
51.41529	1.5
55.01853	5.8
55.05505	4.1
57.61152	1.7
58.23966	1.7
59.18490	1.5
59.39990	1.6
65.02305	1.5
65.03934	1.9
67.05493	4.2
68.99783	1.9
69.03399	4.3
69.07061	3.1
69.71629	7.5
69.72046	4.2
79.05478	9.4
81.03400	4.8
81.07047	15.4
85.02905	2.4
85.06519	2.5
91.05463	22.1
93.07018	7.9
94.04157	1.9
95.04951	5.0
95.08587	7.7
97.02861	2.1
97.06512	2.7
103.05463	4.3
105.07019	7.1
107.04955	8.2
107.08564	7.1
109.02875	3.4
109.06507	7.4
109.10116	4.9
111.04424	2.5
115.05450	5.0
117.06998	3.2
119.04922	27.5
119.08529	4.1
121.02778	2.2
121.06495	3.5
121.10156	2.7
122.03623	5.9
123.04414	65.7
123.08045	2.6
125.06017	2.6
127.03928	3.4
128.06175	2.6
131.04912	7.4
131.08578	4.7
133.06476	5.0
135.04410	15.8
135.08049	4.2
135.11673	3.3
137.02238	2.1
137.05965	48.9
139.03912	4.5
139.11174	2.1
143.04903	6.1
145.02841	2.7
145.06480	6.7
147.04388	62.7
148.04819	2.5
149.05977	5.5
149.09596	2.4
150.06703	2.1
151.03931	12.9
151.07524	40.2
153.05441	2.8
159.08081	3.0
161.05952	14.8
162.06726	6.7
163.03874	20.5
163.07509	21.3
165.05476	36.6
165.06874	3.2
165.09142	5.0
167.07060	9.4
175.07518	7.7
176.08328	4.1
177.05455	10.1
177.09088	7.3
179.06982	5.2
179.08487	3.9
181.04933	1.9
183.11646	2.0
185.06021	2.9
187.07533	9.0
189.07007	2.4
189.09081	4.6
190.06236	2.3
191.07013	5.0
191.08566	3.4
191.10701	3.7
193.06844	1.8
193.08612	10.6
194.07265	2.9
194.73753	1.7
195.06543	2.4
195.08138	2.4
200.04869	1.7
203.07057	8.7
205.06650	3.5
205.08569	100.0
206.07234	2.3
206.08958	3.8
207.06413	4.1
207.08054	5.5
209.07918	3.2
209.09698	2.9
215.07034	5.5
217.08574	2.4
218.07272	4.6
219.08060	7.4
221.06013	3.7
222.06833	4.0
223.07516	4.3
224.08177	3.6
225.09219	3.5
233.05957	2.1
234.06741	3.9
235.07463	6.5
235.09624	5.0
236.08229	3.8
237.09076	5.5
239.07053	2.0
239.10669	2.1
246.06699	2.2
247.07503	6.3
248.08215	2.4
249.05402	2.1
249.09039	6.0
250.06233	3.7
250.09929	1.8
251.06961	5.6
251.10735	2.7
252.07767	4.1
252.39964	1.7
253.08582	7.3
255.10197	1.8
261.09097	3.4
263.07101	4.6
264.07880	4.6
265.08575	6.8
266.06000	1.7
266.09140	2.7
267.06421	2.3
267.10065	2.6
268.07266	2.2
270.08978	2.0
277.08621	5.5
278.09241	2.1
279.06784	2.9
279.10114	7.8
281.08130	4.4
281.11508	2.2
282.08868	2.5
283.05978	3.0
283.09570	5.2
285.11124	2.7
289.08566	3.6
293.08011	4.1
294.09146	1.9
295.09579	4.1
296.10284	2.7
297.07849	2.6
297.11221	13.1
298.11758	2.3
299.12848	2.3
307.09717	13.3
309.11072	4.4
311.09018	5.4
311.12531	3.3
313.10757	6.4
321.11252	5.1
325.10654	18.5
327.12326	12.4
329.13748	13.3
332.01660	2.0
339.12100	11.1
342.10861	1.9
357.09515	3.9
357.13287	85.5
357.18185	5.4
358.13531	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26349	0.6
53.03932	2.1
55.01868	1.6
55.05494	1.5
57.03379	0.6
57.34999	0.7
59.46264	0.7
65.03955	1.1
67.05489	2.4
69.03411	1.9
69.07056	0.8
78.04700	2.5
79.05483	7.4
81.03395	2.5
81.07031	2.6
83.08624	0.8
85.02890	1.5
91.05463	14.5
93.07022	4.5
94.04176	2.3
95.04978	3.5
95.08588	1.6
97.02840	0.7
99.08105	0.7
103.05424	4.3
103.20856	0.7
105.03349	0.9
105.07022	17.2
106.04149	1.7
107.04945	7.8
107.08585	1.0
108.05737	1.3
109.02843	2.5
109.06490	3.2
111.04420	0.8
115.05450	11.7
116.06226	1.6
117.07001	15.3
118.04146	1.2
119.04928	2.5
119.08558	4.6
121.06491	20.0
122.03632	2.1
123.04423	7.8
124.05186	2.6
128.06216	9.8
129.06990	2.0
131.04918	4.0
131.08554	3.4
132.05707	0.8
133.06477	16.0
133.10165	0.8
134.07240	2.5
135.04398	0.8
135.08003	2.1
135.11667	1.2
137.05963	25.7
139.07500	1.0
141.06970	1.2
143.04907	2.0
143.06033	1.5
143.07486	1.0
143.08537	12.8
145.06473	7.0
146.07280	1.3
147.04376	3.8
147.08041	1.6
149.05969	4.7
149.09586	8.0
151.03902	8.6
151.07518	20.4
152.04599	1.8
153.05466	1.2
153.07062	0.8
155.05983	1.2
155.07112	0.9
155.60573	0.8
159.04321	0.7
159.08017	1.7
159.11699	0.8
160.05125	1.0
160.08824	1.0
161.05981	17.5
162.06699	3.1
163.03915	0.7
163.07542	2.7
165.04150	1.5
165.05466	24.9
165.09114	2.9
167.07022	77.1
168.07353	2.1
171.08028	10.5
173.05992	1.0
174.06715	1.1
175.07541	4.9
177.09090	100.0
178.07823	0.7
178.09427	2.5
180.07773	0.9
181.08546	5.6
187.07458	1.2
188.08376	1.3
189.09091	1.3
190.07790	0.8
191.08661	1.1
191.10661	3.4
193.08586	34.0
195.10172	1.1
203.10649	29.7
205.08524	5.9
207.08168	0.7
211.13278	0.8
215.06970	1.1
217.12248	0.8
218.07375	1.1
219.08055	2.5
219.10109	1.5
221.05925	1.5
221.81807	0.8
222.06766	1.0
235.07544	1.3
236.08318	1.4
237.08867	1.4
247.07504	2.0
249.05354	0.8
252.07779	0.8
253.08450	1.1
255.09973	1.0
264.07736	1.3
265.08456	1.6
267.09128	1.4
269.11920	0.7
277.08496	1.0
279.10049	1.7
285.10040	4.0
288.77710	0.7
289.08368	0.9
293.08118	1.0
295.09558	0.9
297.11234	2.0
307.09607	3.9
309.11166	1.3
311.12698	0.9
325.10693	2.2
327.12073	1.8
339.12155	2.0
339.16019	1.9
357.13211	10.4
357.16943	3.8
357.27792	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1692
Annotation	Gingerenone A
Peak:m/z	Relative Intensity
53.03943	2.4
56.96538	4.7
65.03953	3.0
67.05496	3.8
69.03430	2.8
69.07069	2.9
69.81666	2.0
71.52788	3.7
73.18444	2.1
75.69390	2.1
78.13016	2.0
79.05473	11.3
79.84797	2.4
81.07043	4.6
91.05458	26.9
93.07027	5.2
94.04196	3.5
95.04973	6.3
95.08584	3.5
103.05454	9.6
105.07021	18.8
107.04938	20.0
109.06504	4.5
115.05460	8.3
117.07001	9.6
118.04150	3.5
119.04909	17.0
119.08580	3.9
121.06532	10.1
122.03643	5.5
123.04396	6.2
124.05190	3.0
125.05980	3.9
128.06204	10.8
129.07030	2.6
131.04929	7.7
131.08546	6.0
133.06485	14.6
135.04407	6.9
135.08038	4.5
136.05142	8.1
137.05971	54.3
139.07527	6.4
141.07027	4.2
143.04918	3.9
143.08565	18.1
144.05647	3.2
145.06479	13.3
146.07240	6.3
147.04408	24.4
147.07982	6.1
149.05962	7.9
150.06750	16.6
151.03915	4.6
151.07529	100.0
152.04672	6.2
152.07893	8.2
153.05466	15.9
153.06700	3.0
153.08066	4.6
158.07201	2.3
159.08044	17.9
160.08823	4.1
161.05998	11.4
161.09659	2.7
162.06752	10.1
163.03917	2.2
163.07538	8.6
165.05466	26.5
165.09087	67.6
166.06264	2.9
166.09465	6.8
167.07031	39.7
167.09671	5.4
171.08034	17.9
172.08794	4.5
173.05988	4.7
174.06674	4.6
174.10353	2.7
175.07600	12.7
176.08334	7.0
177.05380	2.0
177.09074	20.7
178.06218	6.6
178.09766	2.3
179.07014	9.6
179.10648	8.9
181.06459	3.0
181.08598	16.8
186.10431	5.8
187.07573	10.4
188.08319	21.6
189.09097	8.8
191.07095	5.1
191.10686	15.7
193.08565	30.4
195.10098	2.1
197.05991	4.1
202.09863	13.0
203.08664	3.2
203.10623	44.9
204.07767	3.0
205.08534	18.0
205.12274	9.0
217.12244	24.0
218.09366	4.1
218.12592	3.5
219.10156	14.5
219.13089	3.4
225.09114	3.0
227.07001	3.1
233.11659	11.4
235.07399	2.6
239.10521	4.5
241.06036	2.2
241.08504	10.3
250.09915	3.2
253.12440	2.6
254.09235	4.0
255.09998	2.7
257.08047	2.2
262.06757	2.3
267.10110	4.4
269.07990	6.8
269.11786	2.7
270.08768	5.1
270.11859	2.3
279.10330	2.5
281.08215	3.0
281.11606	6.6
282.08762	2.6
282.12317	6.8
283.09512	3.7
283.12732	2.3
284.10269	3.9
286.11838	2.4
293.11557	3.2
297.11029	6.4
298.11612	14.9
299.12387	2.8
300.13287	2.6
301.10831	2.3
301.14401	2.4
307.13138	2.3
308.14209	2.9
311.12747	2.5
313.10635	2.9
313.13907	19.6
325.14319	5.7
328.12927	2.6
339.15942	10.8
357.13275	5.5
357.16788	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1691
Annotation	Gingerenone A
Peak:m/z	Relative Intensity
53.03932	0.8
55.01855	2.0
55.05499	1.2
65.03935	0.8
66.04671	0.5
67.05486	1.4
69.03415	1.3
69.07027	1.2
70.77882	1.4
71.87818	0.5
77.52088	0.5
78.04718	0.6
79.05480	4.1
80.06274	1.2
81.03384	1.3
81.07064	3.8
91.05466	7.6
93.03398	0.5
93.07032	2.3
94.04165	1.7
95.04951	2.1
95.08582	2.1
97.10165	0.6
99.04442	0.6
103.05441	1.9
105.03358	1.0
105.07018	5.9
106.04156	0.5
107.04948	9.9
107.08569	2.2
108.05737	3.6
109.02872	1.6
109.06516	3.1
109.10133	1.1
111.04430	0.8
115.05450	4.1
117.03388	0.5
117.07015	3.7
118.04192	0.5
119.04910	4.0
119.08562	1.2
121.02843	0.5
121.06473	5.1
121.10120	1.5
122.03604	3.1
123.04436	3.6
123.08038	0.8
123.11686	0.7
124.05189	1.4
125.05941	0.8
127.03880	0.7
128.06190	1.7
129.06944	1.2
131.04900	2.2
131.08546	1.6
133.02811	0.7
133.06479	3.3
133.10124	1.2
134.07217	0.8
135.04398	3.0
135.08017	1.0
135.11661	1.3
136.05212	3.3
137.05960	22.1
139.07523	2.7
141.07016	0.5
143.04906	2.0
143.08565	2.0
144.05643	0.8
145.06435	2.9
145.10106	1.0
146.03561	0.6
146.07278	1.9
147.04385	3.5
147.08017	1.1
147.11664	0.7
149.05952	2.0
149.09599	0.9
150.06717	0.7
151.03990	3.4
151.07521	100.0
152.07877	2.3
153.05431	1.1
155.06981	0.7
157.06482	0.9
159.08022	1.9
160.05206	0.6
160.08769	3.5
161.05978	5.4
161.09647	0.5
162.06770	2.3
163.03889	1.0
163.07527	3.8
165.05455	23.2
165.06683	0.9
165.09079	4.5
166.09439	0.8
167.07010	15.2
167.08302	0.5
168.07310	0.6
171.08035	2.1
173.06030	0.7
174.06717	1.1
175.07523	4.3
175.14832	0.6
176.08290	1.2
177.05498	1.3
177.09090	16.2
178.08035	0.6
178.09853	3.7
179.07008	2.1
179.08403	0.5
181.08575	2.0
187.07553	1.1
188.08263	0.7
189.05473	0.7
189.07071	0.6
189.09070	2.9
191.07021	1.2
191.10643	8.1
193.08588	4.8
194.07335	0.6
195.10167	0.5
197.05949	0.5
201.09152	1.2
203.06987	3.0
203.10571	4.0
205.06700	0.5
205.08559	9.7
207.08080	1.6
211.07547	0.9
213.09045	0.6
215.07158	0.8
218.07259	1.6
219.08025	2.7
219.10141	5.6
219.12138	0.7
221.06050	0.8
224.08167	1.1
225.09128	0.8
234.06699	1.3
235.07547	1.3
236.08344	0.6
237.09163	1.4
239.06883	0.7
246.06737	1.0
247.07489	1.7
248.08188	0.8
249.09108	1.7
250.06137	0.8
251.10590	0.9
253.08542	1.4
254.09230	0.8
255.10065	0.9
261.09158	1.5
263.07050	1.1
264.07733	1.1
265.08505	1.7
266.09457	0.8
267.10193	1.9
275.07053	0.9
277.08585	1.4
278.09204	0.6
279.07239	0.6
279.10153	2.3
281.11740	0.9
282.09015	0.7
282.12448	1.7
283.09641	1.3
285.11264	0.5
289.08765	0.6
291.06421	0.5
292.07230	0.6
293.08337	0.8
293.11642	1.6
294.08810	1.1
295.09836	0.7
296.10098	0.7
297.11169	2.9
301.14255	1.0
307.09601	4.1
307.13239	1.4
308.14093	2.1
309.11191	2.0
311.12811	0.6
313.10510	1.3
313.14331	1.4
321.11221	2.1
324.13531	1.3
325.10699	2.0
327.12170	1.9
327.15921	2.3
329.13730	2.0
339.12198	2.1
339.15933	5.1
357.08838	0.8
357.13229	10.5
357.17026	4.7
357.27811	0.6
358.13321	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1694
Annotation	Lespeflorin C3
Peak:m/z	Relative Intensity
53.03928	1.9
55.05494	1.5
59.11297	0.6
63.77150	0.7
66.04703	1.4
69.07047	0.7
71.13860	0.8
71.14165	0.9
75.04475	1.4
79.05492	4.5
81.07037	1.8
85.06509	1.0
91.05457	3.3
93.07055	0.9
94.04182	3.6
95.04964	2.9
97.64021	0.8
101.06043	0.7
103.05456	0.7
105.03407	0.8
105.07015	1.2
107.04939	1.4
108.05749	0.9
109.02928	0.7
109.06499	2.7
111.08109	0.6
115.05430	0.9
117.07027	1.0
121.06490	2.7
122.03665	4.9
123.04486	0.7
126.03066	0.7
131.04889	1.1
131.08528	1.1
133.06473	1.3
135.04434	0.9
135.08049	1.3
136.05165	2.5
137.05957	3.5
137.09560	0.8
144.05672	1.3
145.06459	2.4
146.07240	2.6
147.04488	0.7
147.08043	1.0
149.09602	0.7
150.06703	0.7
151.07535	24.1
153.09038	1.4
155.07025	5.7
157.06421	1.4
159.08043	2.4
160.08836	4.8
161.05977	4.2
161.09665	0.8
162.06729	1.0
163.07486	1.3
165.05463	100.0
165.09125	5.9
166.05785	1.3
167.47906	0.7
172.08824	2.0
173.06006	3.1
173.09503	3.2
174.06731	0.7
175.07507	2.5
176.08292	2.7
177.09103	8.2
179.10544	1.0
181.08571	1.4
183.07941	1.0
186.06757	0.8
187.07541	1.5
187.11142	2.0
188.08310	10.5
188.12013	1.6
189.05437	4.3
189.09018	2.0
190.09912	1.8
191.10652	10.0
195.08121	1.1
201.09029	1.2
203.10715	1.4
204.07787	20.4
204.11342	0.8
205.08449	1.3
205.12202	2.2
205.17386	0.7
209.09573	1.1
211.07507	1.2
215.10785	1.0
217.12263	1.2
219.10155	45.1
219.13603	10.4
225.09048	1.3
226.09926	1.2
233.11598	0.8
238.09901	1.0
239.10678	0.9
240.07803	0.9
241.08591	1.1
242.09305	0.8
243.13794	1.3
247.11183	1.5
249.09206	0.8
253.12308	1.8
255.10072	2.0
257.07877	0.7
257.11642	1.4
262.13538	1.7
263.10675	0.9
267.13632	0.8
269.11572	1.6
278.13120	0.9
279.13824	1.1
283.13339	1.5
285.14764	1.2
293.15353	4.7
299.16251	1.2
301.14249	0.7
314.11572	0.8
325.17908	7.9
326.18643	1.0
339.15686	1.1
357.16858	14.1
357.20651	20.5
358.17218	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1693
Annotation	Gingerenone A
Peak:m/z	Relative Intensity
53.03919	3.0
59.05001	6.6
67.05509	6.7
67.45495	2.6
69.03434	3.2
69.34280	2.8
70.84281	7.9
79.05479	6.1
81.07059	5.1
91.05459	20.3
93.07034	5.9
94.04209	2.9
95.04977	7.0
95.08614	4.0
98.93053	2.9
98.98391	2.6
103.05525	3.0
105.07028	14.0
107.04967	14.3
108.05739	7.5
109.06507	5.8
115.05463	9.2
116.06214	3.7
117.07011	10.6
118.04089	3.4
119.04946	6.7
119.08591	5.4
121.06479	18.6
123.08077	4.9
128.06250	6.8
129.98514	3.1
131.04947	9.4
131.08571	3.3
133.06497	11.6
135.04424	5.3
135.08017	6.2
136.05190	7.8
137.05991	11.2
138.95627	2.7
143.08583	8.0
145.06499	13.1
146.07277	7.1
147.04420	5.0
147.08031	7.1
149.06004	3.3
149.09573	5.5
151.07533	100.0
153.06923	3.2
155.07199	2.8
158.07268	5.8
159.08060	13.3
161.05962	17.4
162.06703	4.8
163.07509	7.0
165.05493	18.9
165.06822	5.5
165.09137	12.2
166.07735	3.4
167.08606	4.5
172.08862	3.9
173.06023	4.1
173.09644	4.8
174.06822	3.2
175.07553	11.8
176.08307	3.2
177.09015	14.5
178.07802	4.2
179.07042	7.3
179.08514	6.7
179.10582	2.8
181.06517	2.9
181.08585	6.0
182.07246	5.1
183.08089	5.0
184.08815	2.7
187.07565	6.9
188.08369	4.6
189.09160	7.8
191.08699	3.2
191.10690	10.2
195.08052	16.7
196.08884	4.5
197.09573	6.3
199.07486	3.4
201.09039	4.1
203.10672	11.0
204.07739	3.3
205.08549	3.7
207.08023	5.1
208.08842	10.1
209.06078	4.4
209.09653	16.1
210.10327	3.2
211.07576	7.4
213.09006	5.2
215.10764	6.1
219.10088	18.1
221.09479	5.6
221.11476	3.1
222.10455	5.1
223.11223	10.8
224.08356	11.7
224.11971	9.9
225.09067	19.4
226.09862	6.7
227.10655	6.5
231.10226	9.0
233.09621	3.8
236.08218	3.6
237.08994	4.4
238.09955	8.9
239.10643	37.9
240.11458	15.2
241.08615	6.2
249.09120	4.1
251.10716	9.6
252.11591	4.1
253.08607	4.4
253.12238	10.4
254.13072	4.0
255.10054	6.3
255.13832	9.2
256.11050	4.8
257.11606	5.1
261.09207	3.6
264.11450	4.0
265.12271	9.8
266.13397	3.2
267.10126	12.9
268.10974	18.1
269.11664	5.6
271.13214	6.7
276.11484	3.4
279.13885	4.6
281.11807	6.0
282.12515	11.1
283.13199	19.7
285.14783	4.4
292.10873	3.1
293.11902	3.3
293.15189	3.7
297.14810	19.2
299.12827	5.7
307.13089	6.3
311.16428	3.3
319.48819	3.3
325.14313	47.6
325.17886	4.2
329.17377	8.5
339.15927	10.8
357.12790	3.5
357.16919	54.0
357.20715	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	357.1691
Annotation	Machilin G
Peak:m/z	Relative Intensity
50.22672	1.0
53.03916	2.0
55.01858	2.9
55.05502	1.1
56.56455	0.9
66.04707	1.0
69.07031	0.9
69.19785	6.5
69.20207	4.3
69.75923	0.9
74.53683	0.8
79.05062	1.2
79.05480	12.8
81.07041	3.2
88.62727	0.9
91.05466	11.6
93.07040	4.6
95.04945	3.3
98.20710	1.7
103.05427	6.5
105.06378	1.6
105.07017	15.9
107.04222	1.1
107.04946	21.1
109.06539	1.4
115.05432	9.6
117.07020	5.3
119.04909	3.0
119.08531	1.9
121.06483	9.3
122.03619	1.7
123.04424	3.2
124.05202	2.4
125.05951	2.2
126.45403	1.0
128.06204	20.3
129.06976	3.1
131.04901	3.2
131.08534	2.0
133.06482	10.0
133.10104	1.4
134.07156	0.9
135.04417	1.2
135.08014	2.8
136.05153	1.4
137.05975	8.7
141.06955	2.6
142.07755	1.5
143.08548	27.2
144.05754	1.4
145.06471	15.8
145.10048	1.2
146.07246	7.2
147.04315	1.4
147.08040	1.6
149.05945	2.8
151.03862	1.9
151.07515	11.1
152.04651	1.8
153.05438	3.7
158.07291	1.6
159.08009	2.9
159.11684	1.1
160.08804	2.3
161.05952	10.5
161.09616	10.2
162.06673	4.0
163.03903	8.7
163.07507	7.5
165.05505	8.8
165.06789	2.0
165.09093	3.4
166.06235	3.0
167.07030	25.8
171.08034	37.5
172.08740	1.8
173.05951	6.8
173.09615	2.1
174.06715	2.0
175.07510	10.6
175.11160	2.8
176.07945	1.0
177.09119	10.4
178.06233	12.6
179.06982	1.2
179.08510	1.3
181.08569	23.0
185.09595	1.8
187.07529	9.8
188.08302	51.2
189.08908	3.0
191.10637	1.4
193.08598	18.9
195.10104	3.3
201.09065	1.2
202.09933	1.3
203.10645	100.0
204.10989	1.4
217.12167	2.4
219.10019	2.4
226.85078	1.0
233.09586	2.5
233.11723	3.9
237.12640	1.3
239.10648	1.1
250.09947	1.0
261.09195	1.2
265.12170	2.7
281.08017	1.5
293.11649	1.6
297.11081	2.0
297.14755	2.1
299.09097	1.0
307.51477	1.0
325.14240	3.3
328.13004	1.8
339.15906	1.1
357.06409	1.2
357.12878	1.9
357.16888	17.0
357.23914	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1693
Annotation	Lespeflorin C3
Peak:m/z	Relative Intensity
51.02393	0.2
53.03936	1.4
55.01846	0.4
55.05494	0.4
60.26445	0.2
62.86237	0.2
65.03926	0.4
66.04718	1.4
67.05494	0.5
67.99212	0.2
69.03416	0.5
69.07037	0.4
70.35957	0.2
71.52786	0.2
71.53194	0.2
71.98614	0.2
77.03924	0.8
78.04687	0.2
79.01871	0.3
79.05482	5.2
81.03397	0.6
81.07053	1.6
83.04954	0.4
85.02885	0.3
91.05455	1.5
92.02627	0.4
92.89899	0.2
93.07020	0.7
94.04173	2.9
95.04961	2.3
95.08598	0.4
97.02901	0.3
97.22700	0.2
103.05450	0.4
105.03357	0.5
105.04512	0.7
105.07032	1.0
106.04144	0.2
107.01263	0.3
107.04951	1.5
107.08546	0.3
108.05714	0.5
109.02841	0.5
109.06501	2.3
109.10149	0.4
111.00793	0.4
115.05421	0.8
117.07042	0.5
119.04907	0.4
119.08540	0.4
121.02821	0.3
121.06480	0.8
121.10108	0.4
122.03629	4.2
123.04408	0.7
123.08057	0.3
124.05214	0.3
125.05967	0.4
126.03121	0.9
128.06219	0.4
129.07010	0.3
131.04843	0.5
131.08470	0.3
133.06444	0.6
133.10133	0.2
135.04398	0.9
136.05180	0.5
137.05959	5.4
139.07500	0.5
143.04900	0.2
143.08540	0.6
145.06479	0.6
147.04414	0.5
149.05943	0.3
149.09630	0.3
151.03903	0.8
151.07526	14.9
152.07895	0.2
154.02499	0.2
155.05762	0.3
155.07018	4.9
159.07985	0.2
160.08829	0.9
161.05945	1.1
162.06694	0.3
163.07536	0.7
165.05453	100.0
166.05780	1.2
167.07030	3.3
171.04402	0.3
171.08047	0.5
173.05957	0.3
175.07570	0.4
177.05418	0.3
177.09094	3.6
181.08543	0.4
188.08176	0.3
191.10652	2.2
193.08617	1.1
195.08086	0.3
203.10692	1.0
204.07826	0.6
205.08531	1.0
218.07153	0.2
219.08052	0.4
219.10078	2.4
221.05806	0.2
225.37907	0.2
234.06689	0.2
235.07500	0.4
249.09224	0.2
265.08658	0.3
267.09726	0.4
269.12302	0.5
275.07050	0.3
277.08563	0.3
279.10223	0.3
280.14197	0.2
289.08670	0.3
293.08197	0.2
293.11584	0.3
297.11374	0.5
301.14319	0.4
307.09714	0.7
307.13147	0.3
321.11212	0.5
324.13531	0.4
325.10660	0.6
327.12112	0.4
329.13736	0.5
339.12189	0.5
339.15869	1.1
357.13159	2.2
357.16959	1.9
357.27795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1694
Annotation	Gingerenone A
Peak:m/z	Relative Intensity
52.48032	1.1
52.81115	1.5
53.03931	1.2
54.03804	1.1
55.26151	1.1
57.67179	1.2
65.03931	3.2
67.05498	2.3
69.07054	1.6
69.83275	4.9
79.05473	4.7
81.03382	2.1
81.07062	3.4
83.08614	1.2
85.06548	1.3
91.05470	8.6
93.03387	2.3
94.04182	3.8
95.04939	2.7
95.08596	3.4
101.17798	1.1
103.05455	1.8
105.07021	4.5
107.04939	7.7
108.02114	1.4
109.06501	3.0
109.10175	1.4
111.04425	5.7
111.79728	1.2
115.05446	2.2
117.07016	2.2
119.04942	4.9
121.06487	5.3
122.03607	9.3
123.04419	2.6
125.05994	4.5
128.06227	1.6
129.06979	1.8
131.04901	4.2
131.08507	1.3
133.06494	4.2
135.04446	4.1
136.05177	3.2
137.05968	100.0
138.06381	1.5
145.06494	5.4
146.07266	4.5
147.04401	3.5
147.08038	1.4
149.05946	8.9
150.06766	1.5
151.03906	10.7
151.07539	51.5
153.05428	10.7
157.06531	3.8
158.07242	1.9
159.08057	2.0
160.08856	1.3
161.05899	2.9
162.06767	3.7
163.07529	5.0
165.05458	7.4
165.09096	8.3
167.07051	4.6
171.08054	2.2
172.08826	4.4
173.06007	5.5
174.06735	1.8
174.10390	5.2
175.07565	4.1
176.08412	1.3
177.09077	8.4
181.08594	2.1
184.70779	1.2
187.07536	2.2
188.08298	14.9
189.09100	4.8
190.09966	2.5
191.10609	2.7
193.08528	1.9
201.08881	1.7
203.10643	27.7
205.08626	3.6
205.12233	11.5
211.07552	1.7
215.07010	1.5
215.10641	14.0
219.08107	2.2
219.10172	3.3
221.09560	1.4
228.07057	1.4
233.09688	1.5
233.11716	4.1
235.07558	1.7
236.08235	1.4
237.09177	2.1
247.07602	1.6
247.11420	1.4
248.11882	1.7
249.09305	2.9
253.08601	2.3
254.09349	2.0
261.09152	4.3
263.10605	1.3
267.10132	2.0
275.10654	2.4
276.11523	2.1
277.08621	3.6
278.50089	1.3
279.10184	3.1
279.13699	2.4
281.11746	1.7
282.08801	2.2
284.10333	2.0
292.10986	3.2
293.11658	2.7
295.09756	2.1
297.11206	10.2
298.11725	1.8
307.09863	2.5
307.13278	6.9
308.14090	5.4
309.11154	5.4
310.11987	3.1
311.12845	3.0
324.13513	4.7
325.10690	3.0
327.11990	1.6
327.16022	1.6
329.13837	2.1
339.11957	1.9
339.15927	30.9
357.13196	9.8
357.16962	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	357.1695
Annotation	Gingerenone A
Peak:m/z	Relative Intensity
53.03930	1.5
53.17145	1.2
65.03923	1.8
66.57640	1.1
70.77635	1.6
70.77982	2.5
79.05479	4.5
81.07040	1.8
85.92960	1.0
89.03895	1.3
91.05463	8.2
93.03423	2.3
93.07001	1.6
94.04158	2.3
95.04960	1.7
95.08575	2.4
102.80605	1.1
103.05454	3.2
105.07014	3.5
107.04947	5.1
107.08561	1.7
109.02839	1.2
109.06551	2.5
109.10130	1.6
111.04440	3.3
115.05439	2.3
119.04920	4.0
119.08504	2.0
121.06503	4.2
122.03667	7.4
123.04424	3.2
125.05983	3.8
129.07034	1.3
129.45164	1.0
131.04900	2.6
133.06496	3.9
135.04373	3.1
136.05188	2.7
137.05968	100.0
138.06316	1.3
141.06949	1.6
145.06453	2.3
146.07259	1.6
147.04398	3.8
149.05954	9.3
151.03870	4.3
151.07535	45.7
153.05464	9.4
157.06500	2.7
159.08057	3.2
161.05934	2.3
161.13240	1.4
162.06660	1.6
163.07530	6.8
165.05519	2.8
165.09093	5.7
167.05832	1.1
167.07007	6.2
171.08072	2.6
172.08812	5.3
173.05957	3.8
174.10406	2.9
175.07532	2.5
177.05472	3.6
177.09071	4.0
181.08673	1.2
181.74489	1.1
188.08319	15.2
188.09845	2.0
189.07224	1.1
189.09052	5.0
190.09810	1.4
191.07036	12.0
191.08604	1.9
191.10657	4.2
198.40958	1.2
201.09134	2.3
203.07016	1.5
203.08858	2.3
203.10655	31.1
205.08557	4.9
205.12225	7.6
215.10680	12.8
219.10217	1.5
221.09589	1.3
233.09583	1.4
233.11641	3.5
235.07524	2.8
241.08551	1.4
247.07454	1.8
247.11292	1.6
248.11989	1.4
249.09146	3.8
253.08771	1.9
261.09109	3.8
263.07007	1.4
266.09436	2.0
267.10168	3.3
275.10663	2.4
276.11359	2.0
277.08578	3.2
279.10199	1.5
279.13602	1.7
281.11667	2.6
282.08740	1.7
283.09583	1.4
284.10358	2.2
292.10806	1.5
293.11603	3.4
295.09644	3.6
297.11157	9.0
298.08127	1.3
307.09506	3.4
307.13239	4.9
308.13992	3.7
309.11203	3.9
310.11826	4.3
311.12708	2.7
313.10803	1.6
321.11237	1.4
324.13495	4.1
325.10715	3.2
327.12186	3.0
339.12024	2.8
339.15881	28.0
357.13104	8.1
357.17001	9.9
382.84531	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
55.05502	7.4
55.44787	0.9
56.05824	1.4
57.03426	1.0
57.07053	2.2
59.04991	4.8
67.05490	3.5
69.07064	6.1
69.07361	1.0
70.06583	5.3
71.03819	1.4
71.04149	2.0
71.04984	1.4
72.48177	0.9
73.06535	3.1
74.54126	1.0
75.04484	5.4
79.05483	5.8
81.07038	6.7
83.08627	2.3
85.06539	10.1
88.07622	6.1
91.05463	17.5
93.07027	4.7
95.04951	3.7
95.08596	3.6
97.10178	1.3
101.06003	8.3
102.09158	1.4
103.05448	3.0
104.06255	1.8
105.03376	1.3
105.07013	10.3
106.08653	2.9
107.04945	9.0
107.08559	2.8
108.05728	2.4
109.06479	3.0
109.10138	1.6
111.08067	2.5
111.11745	1.1
115.05454	4.7
115.07560	2.2
116.06246	1.5
117.07006	5.1
118.04144	2.8
119.04926	2.6
119.08553	4.7
119.64644	1.0
120.94444	1.2
121.06487	10.7
121.10141	2.7
122.07281	1.5
123.04404	1.4
123.08053	3.8
124.05174	2.8
125.09678	1.0
129.06982	3.4
131.04919	2.6
131.08534	1.5
132.05684	3.9
133.06477	10.8
134.07103	1.4
135.04407	4.0
135.08046	6.4
135.11647	2.4
136.05188	15.4
137.05959	3.0
138.06746	8.0
139.07521	3.2
145.06461	3.5
145.10075	1.8
146.07249	4.6
147.08034	14.2
148.08777	4.5
149.05959	6.5
149.09575	2.4
149.13168	1.3
150.06775	4.7
151.07526	97.4
152.07933	3.7
153.09117	1.6
158.07272	2.7
159.08038	2.0
160.08797	4.1
161.05927	1.9
161.09567	3.0
162.06747	1.1
163.07520	4.9
163.14780	1.2
164.08334	17.9
165.05469	11.3
165.06886	2.1
165.09093	31.9
166.09502	1.3
167.06956	1.1
172.08783	2.3
173.05959	2.2
173.09630	2.2
174.06822	2.0
175.07582	2.3
176.08275	3.0
177.09070	3.0
178.09895	4.4
179.10645	100.0
180.11037	4.5
181.08575	4.0
185.68626	1.1
187.07520	1.5
187.11223	4.8
188.08258	1.4
189.09035	4.8
190.09857	1.5
191.10637	6.3
193.12192	14.8
195.07970	1.7
197.09538	1.2
201.09174	1.8
202.09935	1.2
203.10597	1.9
205.12228	2.7
207.08238	1.0
207.10123	3.3
209.09613	3.5
211.07515	1.5
215.10667	1.6
217.12219	3.3
219.10135	1.9
219.13815	7.3
220.08835	1.3
221.11668	9.0
222.10344	1.6
223.11159	1.6
225.09018	2.6
227.10596	1.5
231.13710	2.0
235.11191	1.6
236.12114	2.0
237.09048	1.9
238.09827	2.7
239.10628	4.2
240.11401	1.8
241.12167	1.6
247.11151	3.5
247.24202	1.8
248.11693	1.1
249.09024	1.2
251.10712	1.8
252.11391	3.7
253.12196	3.4
254.13161	1.1
255.10165	1.6
255.13956	1.1
261.12778	1.8
262.13577	3.0
263.10654	2.4
265.12119	1.9
267.13751	6.9
268.14169	1.4
269.11710	4.4
271.09915	1.2
271.13275	3.1
278.12952	3.9
279.13708	3.6
281.11700	2.4
283.13263	2.4
285.14731	4.9
293.15329	7.9
294.16031	4.4
295.13293	1.9
295.16833	2.0
297.14761	1.2
299.16467	3.2
310.15530	1.6
311.12817	1.3
325.17941	21.9
326.18210	1.8
339.28952	1.0
339.34430	2.6
349.58572	1.1
357.16583	2.2
357.20538	20.8
357.35507	52.9
358.21014	1.5
358.30994	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58702	3.1
54.06082	3.5
55.05504	9.9
55.88350	3.0
56.03944	3.1
57.07076	4.7
63.00637	2.8
67.05496	7.9
69.07063	23.4
69.94476	16.4
70.91206	3.2
76.43832	4.0
78.20382	3.6
79.05476	4.8
81.07040	7.3
91.05450	5.7
93.07056	4.3
95.08588	8.7
98.20834	5.5
103.05450	16.7
111.11716	12.7
119.76431	3.5
123.11737	4.0
127.18987	4.3
129.07010	4.9
131.04921	52.4
137.05963	8.9
144.05664	5.0
151.07533	19.0
155.06989	4.1
159.08037	39.9
163.07492	16.8
165.05450	18.0
173.09575	6.2
187.07521	59.4
189.09093	7.8
201.09108	14.8
215.07010	27.2
219.10165	4.9
227.10611	5.5
229.08600	15.5
233.08076	100.0
247.09714	14.4
255.10287	5.5
255.49661	4.2
273.11163	7.9
311.20093	11.6
339.19696	4.7
357.16882	11.5
357.20795	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	357.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01854	0.4
59.04986	0.7
65.03924	1.1
66.04713	0.4
67.05501	0.5
67.26177	0.4
69.03416	0.6
69.07062	0.6
71.52538	0.6
75.04478	1.0
77.03927	0.9
78.04692	0.8
79.05481	3.5
80.06260	0.8
81.07051	2.3
83.08601	0.4
85.06506	0.4
91.04904	0.5
91.05471	8.3
93.07023	1.5
94.04168	1.3
95.04952	1.4
95.08594	0.4
100.87481	0.4
103.05449	2.2
105.07021	1.8
106.04153	0.8
107.04941	7.1
108.05721	2.7
109.06512	3.4
115.05431	1.7
117.06998	3.3
119.04951	1.9
119.08565	1.1
121.02923	0.5
121.05656	0.8
121.06490	12.5
122.03629	1.1
123.04401	1.2
123.08072	1.4
124.05193	1.4
125.09666	0.4
129.06992	0.9
130.04196	0.5
130.07771	0.5
131.04955	2.4
131.08530	0.8
132.05698	0.8
133.06479	1.4
134.07285	0.7
135.04395	3.3
135.08029	1.8
135.11734	0.7
136.05185	10.8
137.05972	10.1
138.06755	2.9
139.07524	4.5
143.04950	0.8
143.08562	0.8
144.05687	1.1
144.92435	0.4
145.06474	3.4
145.10156	0.9
146.07253	13.0
147.04370	2.8
147.08067	4.1
149.05963	1.2
149.09587	1.0
149.54541	0.4
150.06721	2.4
151.07529	100.0
152.08324	6.5
153.05460	0.8
153.09079	4.1
155.07016	1.2
157.06470	1.1
157.10081	0.8
158.07236	1.5
159.08047	6.3
159.11716	0.6
160.08804	2.2
161.05937	3.0
161.09560	0.9
162.06744	8.0
163.07545	4.3
164.08261	0.4
165.05461	23.7
165.07747	0.9
165.09100	12.3
166.05856	0.9
166.09465	0.6
167.07018	2.0
171.08025	1.0
172.08821	2.6
173.09608	14.2
174.10291	0.8
175.07515	7.5
175.11197	0.5
176.08327	4.4
177.09091	62.4
178.09465	1.7
179.06992	0.6
179.10551	0.7
181.08617	1.9
187.07430	0.5
187.11206	2.8
187.12567	0.4
188.08371	2.0
188.11946	12.5
189.09093	6.3
190.09866	9.5
191.10648	5.5
193.08629	1.0
199.07474	0.5
201.09155	0.7
202.09923	0.7
202.13507	0.6
203.10626	4.2
204.07832	1.1
204.11440	8.7
205.08617	1.4
205.12206	8.6
211.07486	0.4
215.10617	3.0
217.12250	4.4
218.12718	0.4
219.10188	2.3
219.13782	67.2
220.14122	3.1
225.09000	0.6
233.11711	1.0
233.15355	1.7
238.09773	0.5
239.10707	0.8
240.11389	0.4
241.08615	1.3
242.09232	0.5
243.13776	1.0
249.09038	0.7
253.08595	0.6
254.09294	0.5
255.10104	1.1
256.11099	0.5
257.11588	0.5
262.13431	0.7
267.10077	0.6
269.08173	0.4
269.11746	1.3
270.08835	0.5
279.10059	0.4
283.13293	0.9
293.15314	2.1
297.14883	0.4
313.14297	0.7
325.17938	3.9
339.15723	0.6
342.18250	6.0
357.16873	1.6
357.20596	15.0
358.20917	1.4
358.67236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01859	2.4
55.05510	38.6
56.05818	3.1
57.03440	8.4
57.06828	1.8
57.07071	23.5
63.67464	1.4
67.05499	38.1
69.03420	2.4
69.07063	52.4
70.06595	10.4
71.04971	3.6
71.08617	14.0
72.21449	1.5
75.04465	2.4
79.05482	23.8
81.06593	3.1
81.07049	43.8
83.04952	2.3
83.08150	2.5
83.08614	36.8
85.06522	3.0
85.10178	8.4
88.07628	12.4
89.07958	2.5
91.05463	6.0
93.06481	2.3
93.07035	32.7
95.04956	3.2
95.08595	40.8
97.06532	18.3
97.10160	22.4
98.20749	4.1
102.09166	2.4
103.03925	4.4
106.08647	5.0
107.08559	24.7
109.09441	2.4
109.10141	20.0
111.08084	7.4
111.11722	8.4
119.08537	2.0
121.10133	42.9
123.11715	8.3
125.09624	3.0
129.05487	2.3
129.09016	2.1
135.10684	2.8
135.11673	35.7
137.05911	4.1
137.13232	4.5
139.11180	3.3
145.06476	3.2
149.06143	1.7
149.13263	15.0
151.07552	12.5
151.14812	5.2
153.12691	2.4
163.14798	5.6
165.05482	9.1
165.09099	3.3
165.16385	4.3
167.14253	2.9
173.05907	1.7
177.16353	2.2
179.10616	3.1
181.08670	2.7
191.17943	4.8
215.10783	1.7
227.10757	1.7
229.20288	1.7
247.21848	2.7
247.24216	35.6
265.25241	27.4
280.10822	2.0
283.26379	1.9
287.74060	1.6
300.10294	1.9
311.12729	15.8
339.28888	22.0
339.34387	6.7
357.26385	2.7
357.30594	4.5
357.35498	100.0
371.89050	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	358.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.3
55.05532	1.3
56.96578	1.6
57.03423	2.5
57.68927	1.3
66.01417	1.5
69.03410	5.6
70.06580	1.5
70.18559	6.4
73.02892	2.0
73.61256	1.4
79.05473	1.8
81.03368	1.9
85.02898	9.9
88.06181	1.5
91.05477	2.7
92.86158	1.4
97.02863	3.6
99.04420	1.6
105.07056	2.3
115.05455	1.5
117.05685	2.4
119.01888	2.4
123.06829	7.1
127.03910	2.4
128.45444	1.4
131.01871	1.5
132.08060	3.0
134.05991	1.9
136.07565	4.0
143.02031	1.9
147.04321	1.6
148.07512	9.6
150.05452	3.0
150.09109	7.2
160.07559	21.8
161.02913	3.2
166.08582	3.2
178.08607	32.7
188.07707	1.9
196.03708	100.0
196.09680	70.7
202.92863	1.5
203.04034	1.9
245.05148	3.1
259.06549	1.6
340.13882	2.5
358.08908	95.1
358.14844	31.9
359.09186	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1494
Annotation	Bakankoside
Peak:m/z	Relative Intensity
50.84250	0.6
55.01852	1.1
56.95972	0.8
56.96560	4.4
57.03418	2.0
59.04974	0.7
61.02900	2.6
69.03423	6.2
70.23170	2.9
70.23506	0.7
71.04974	0.9
73.02900	2.7
73.89902	0.7
79.05470	1.0
81.03398	1.6
83.04958	0.9
84.96028	1.0
85.02894	7.3
91.03932	0.8
91.05455	3.9
94.06545	0.7
97.02884	5.4
98.97577	6.4
99.04419	0.9
101.00855	0.7
103.05499	0.8
105.07010	2.9
108.08089	3.2
109.02872	1.4
110.97562	1.8
112.99118	1.2
115.05473	0.8
116.98615	3.4
117.05742	5.1
118.06554	0.9
119.01906	2.4
122.09634	0.8
123.06828	1.3
124.07555	0.9
127.03902	2.9
128.98605	1.8
130.06522	2.3
131.00142	1.2
131.01862	1.0
132.08087	10.6
134.06015	5.1
134.99619	1.5
136.07550	10.8
137.05910	1.7
137.08110	0.7
138.05490	1.8
143.00162	0.7
145.03429	1.7
146.99626	1.2
147.04338	1.3
147.06819	3.9
148.07567	30.1
149.01180	0.9
149.08148	0.9
150.09128	15.5
152.07053	9.2
153.07614	1.5
157.03477	0.8
158.99661	1.2
160.07570	48.1
161.02985	1.2
161.08150	0.8
162.05460	0.7
163.02721	0.9
165.07422	0.8
166.08630	2.8
176.07100	0.8
178.08620	81.6
178.55014	0.8
179.09030	1.5
185.02901	1.1
188.99161	1.2
190.98662	1.1
196.09679	97.5
197.09959	2.3
211.04736	1.0
216.98698	1.2
219.01807	1.9
221.05136	2.2
223.08049	0.8
237.02858	3.5
245.05031	1.3
251.07512	1.0
259.06384	0.8
263.07092	1.2
265.05945	0.9
281.01923	1.2
285.77487	0.7
301.03818	0.7
311.09412	1.4
337.08295	1.0
340.14099	5.9
358.14926	100.0
359.06735	1.0
359.15381	3.7
384.55978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1334
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
51.42284	1.6
57.58182	1.4
58.68156	1.6
59.85497	1.4
67.05481	2.6
69.03423	3.7
69.07069	1.8
71.52894	3.0
78.14992	1.7
79.05489	4.2
81.03411	26.1
81.07060	3.4
83.05020	2.1
85.02897	10.5
85.06540	2.1
85.63349	1.7
86.09709	3.4
91.05492	6.3
93.07054	4.8
95.04985	3.6
95.08637	3.3
97.02899	5.6
97.06525	1.7
103.05495	2.5
105.07024	2.2
107.04974	2.0
107.08572	3.1
111.04424	3.4
113.62632	1.5
113.88636	1.7
115.05473	3.8
119.04922	1.7
119.08521	1.9
121.06490	4.5
121.10130	2.7
123.08074	2.2
125.05991	1.8
127.03914	1.7
131.04906	3.6
133.06522	2.0
133.10127	2.2
135.04410	100.0
135.11656	2.0
137.05991	6.4
139.11171	1.7
143.04926	1.8
145.06448	3.3
147.04378	4.0
149.02359	6.2
149.05981	11.7
150.62888	1.7
151.03914	2.7
153.06963	1.8
161.05978	5.8
163.03912	5.7
173.05956	8.4
175.07542	5.4
177.05467	5.1
179.07037	7.2
179.10799	2.9
181.04973	2.6
185.05945	2.3
189.05443	4.6
197.06071	2.2
197.11703	6.4
197.15578	1.5
199.07536	2.3
201.05527	2.5
207.06534	3.3
251.07077	1.6
265.08600	2.3
279.10095	1.6
281.08057	1.9
311.12759	2.4
329.06458	3.1
341.13913	3.1
341.98260	1.5
359.11258	7.6
359.15601	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	359.1485
Annotation	Negundin B
Peak:m/z	Relative Intensity
54.96282	0.8
55.55801	0.8
66.17435	1.0
67.05501	1.2
70.46110	0.8
70.77477	2.7
70.92970	1.0
74.02306	1.0
74.30905	1.0
79.05485	4.4
91.05471	3.2
93.07026	1.2
94.04162	1.9
95.04951	3.0
103.05479	2.7
104.06303	1.0
104.71951	0.9
105.07024	3.2
107.04936	10.5
108.05675	1.0
109.06561	1.3
115.05484	1.3
117.06979	1.0
121.02885	2.1
121.06536	2.3
122.03586	1.9
123.04407	3.2
125.06031	1.2
131.04942	3.7
132.05701	1.7
133.06480	2.9
133.10236	1.0
135.04404	2.4
135.08012	1.4
137.05946	6.7
138.06795	4.8
139.03947	1.5
145.06523	1.7
146.07230	2.0
147.04388	1.7
147.08075	1.3
149.05988	1.3
151.07542	10.8
153.05510	1.3
155.07060	1.5
160.05217	2.2
161.03664	0.9
162.06746	4.1
163.03841	1.5
163.07544	7.4
165.05463	46.8
165.09065	6.6
166.05807	1.1
175.07520	23.2
177.09073	2.7
179.10664	1.3
191.10634	2.2
193.08647	3.7
195.06493	2.9
195.08105	2.2
203.07019	12.1
205.06549	1.1
206.19702	1.1
207.06458	1.6
208.08641	1.1
221.07950	5.6
223.07524	2.2
224.08252	1.2
235.07426	2.2
237.09171	1.7
238.09929	1.9
239.10667	3.1
241.08699	1.6
241.12112	1.2
249.09135	1.4
251.07048	1.7
252.07755	1.2
253.08559	2.3
255.10240	2.5
263.07089	2.9
265.08563	3.7
266.09482	1.8
267.10208	8.0
269.08295	1.5
273.11206	1.1
277.08606	3.1
278.09293	2.5
279.06888	1.3
279.10135	6.6
281.11673	1.7
282.12393	5.1
283.09589	3.8
285.11148	1.1
291.94708	1.1
293.08072	1.9
294.08804	4.0
295.09723	6.0
297.11166	3.2
298.12015	3.6
309.11145	6.7
310.11835	7.1
311.09067	5.9
313.10931	2.0
313.14340	4.4
315.66129	1.1
325.10666	2.6
326.11475	4.1
329.06461	1.7
331.08011	1.2
341.13794	100.0
342.14102	3.0
359.07404	1.6
359.11118	3.1
359.14847	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	359.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
56.96017	0.3
60.61373	0.3
62.88739	0.3
65.03912	0.4
66.04697	1.2
70.84139	0.5
70.84479	0.4
71.89185	0.3
77.03906	0.4
79.05482	4.3
81.07035	0.8
91.05453	0.4
94.04171	2.4
95.04936	2.3
105.03373	0.7
105.16731	0.3
105.17451	0.3
107.01259	0.4
107.04945	0.4
108.49931	0.3
109.02877	0.5
109.06513	2.5
121.02846	0.9
121.06468	0.4
122.03621	3.2
126.03113	0.9
131.04964	0.4
137.05930	0.4
145.06396	0.3
146.07260	1.3
149.72614	0.3
151.07483	0.8
155.07014	4.8
160.05150	0.4
163.53812	0.3
165.05449	100.0
166.05809	1.8
177.09100	0.8
180.28709	0.3
196.19930	0.3
203.07053	0.5
313.10721	0.3
313.14035	0.6
315.15900	1.4
341.13824	0.6
359.14853	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1485
Annotation	Negundin B
Peak:m/z	Relative Intensity
57.03440	2.5
65.03915	4.3
69.80589	9.4
85.02909	2.4
98.20762	3.7
107.04934	3.9
110.03653	6.0
121.02836	15.6
125.05965	6.2
135.07993	2.8
137.05962	3.2
144.05711	2.3
149.02325	3.7
149.05952	2.6
153.05463	6.9
153.06900	3.2
159.08043	6.1
161.06007	4.1
161.09578	3.5
165.07002	8.8
166.07735	2.5
167.07169	3.8
167.08583	5.4
169.06456	2.1
175.07570	3.8
178.07764	3.4
179.08516	2.5
181.04990	25.4
181.06497	5.3
182.07353	3.7
183.08052	2.0
184.08803	2.5
194.07268	3.4
195.07968	9.4
197.05995	5.0
201.09122	1.9
205.06618	3.0
206.07256	3.5
207.07939	3.3
209.09622	3.8
210.06668	7.1
211.07530	7.7
212.08307	5.7
221.09639	10.8
222.06842	2.6
223.07529	15.6
224.08276	6.8
225.05383	2.7
225.09068	8.4
227.06999	7.6
227.10698	4.3
235.07515	4.1
237.09074	9.2
238.06190	3.8
238.09779	11.6
239.06956	10.9
239.10617	2.9
240.07767	19.6
241.08563	5.8
248.08287	2.3
249.09171	7.9
250.06194	2.2
250.09727	2.2
251.07050	4.3
251.10551	2.3
252.07707	5.6
253.08577	38.0
253.12134	14.2
254.09300	5.8
255.06514	9.0
255.10146	12.5
257.08066	8.8
265.08664	7.1
266.09326	8.8
267.06567	2.8
267.10110	9.7
268.07236	5.8
269.08105	15.5
269.10837	2.5
270.08936	2.6
277.08612	3.2
279.07065	2.4
281.08102	8.8
281.11765	9.2
282.12451	3.0
283.06070	6.1
283.09634	20.2
284.10318	6.0
285.07614	3.7
285.11020	2.4
295.09555	4.6
297.07544	5.7
297.10767	3.6
298.08313	11.3
298.11813	4.8
299.12759	14.1
300.09909	22.3
309.11249	8.4
310.11868	2.4
313.10675	100.0
313.14325	63.7
314.11081	4.8
326.11353	7.6
327.12213	50.9
328.12875	5.2
331.15329	24.9
341.13800	52.1
359.14850	97.2
360.15109	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	359.1486
Annotation	Negundin B
Peak:m/z	Relative Intensity
53.03931	0.7
55.01870	0.8
67.05488	0.5
71.04623	1.0
75.58706	0.5
79.05481	1.9
81.07057	0.8
84.81697	0.5
85.02843	0.6
91.05482	1.8
91.54595	0.5
93.07032	0.7
95.04960	2.3
95.08570	0.8
105.07018	2.2
107.04935	2.0
107.08607	0.9
108.05713	0.7
109.02836	0.6
109.06501	0.5
109.10143	1.3
111.07912	0.5
115.05384	0.5
117.06986	0.9
119.08559	1.0
121.02866	0.9
121.06471	1.4
122.03633	0.7
123.04459	2.6
123.08035	0.5
123.11617	0.6
125.05988	0.6
131.04933	4.3
131.05914	0.5
131.06204	0.5
132.05684	1.1
133.06535	0.8
133.10136	0.7
135.04364	0.8
135.08044	1.3
136.05168	1.1
137.06007	2.9
138.06786	4.7
139.03906	0.7
145.06502	1.6
146.07239	1.0
149.05963	0.6
150.06732	1.1
151.03906	0.9
151.07530	11.4
153.05438	0.8
155.07050	0.9
159.04359	1.1
159.07996	0.6
160.05188	2.0
160.08847	0.6
161.05901	0.6
162.06697	0.8
163.07501	1.8
165.04155	1.0
165.05476	15.3
165.06850	1.4
165.09093	1.9
167.07040	1.0
174.06793	0.7
175.07533	23.9
177.09074	2.1
178.07719	0.6
178.09842	1.0
179.06960	0.8
179.08636	0.5
179.95529	0.5
181.04938	1.3
181.06372	0.6
188.08586	0.5
189.09088	1.3
193.08574	1.8
194.07164	0.5
195.06435	1.2
195.08058	1.2
203.07027	10.9
204.07472	0.5
205.06490	0.8
211.07492	0.8
218.91202	0.5
219.08044	1.0
221.07883	3.8
221.09865	0.5
223.07504	2.3
224.08299	2.5
225.09079	0.8
227.10635	0.6
234.06711	0.8
235.07516	2.1
236.08360	1.4
237.09073	2.0
238.09860	2.2
239.07062	0.8
239.10699	2.7
240.07848	1.4
247.07559	1.6
248.08322	0.8
249.09149	2.6
250.06010	0.7
251.06958	2.1
251.10571	0.9
252.07785	1.4
253.08609	2.2
253.12329	0.7
254.09111	0.6
255.10092	3.3
263.07004	1.7
264.07761	1.6
265.08624	3.3
266.09341	2.3
267.10172	8.3
268.07245	1.0
268.10583	0.9
269.07861	0.8
269.11719	0.7
277.08572	2.8
278.09409	2.3
279.06644	1.5
279.10138	7.3
280.07510	0.7
280.10672	1.1
281.08032	1.4
281.11685	1.5
282.09216	0.9
282.12476	7.4
283.09634	3.7
284.10226	0.7
292.10916	1.0
293.08051	2.4
294.08810	3.4
295.09604	6.1
296.10251	0.5
297.07639	0.7
297.11130	3.0
298.11914	1.9
299.09177	0.6
299.12439	1.0
300.09976	0.7
308.10452	1.2
309.11212	8.4
310.12033	5.9
311.09106	5.0
313.10611	3.6
313.14304	5.8
315.11963	0.5
317.13828	0.8
325.10742	2.2
326.11462	4.3
327.12231	2.0
329.06470	1.4
331.15198	0.8
341.13809	100.0
342.14117	3.3
359.11160	2.7
359.14880	5.3
359.18506	1.1
359.22232	1.2
379.44562	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.9
56.16047	2.3
56.99520	2.5
58.06591	18.4
59.06924	7.0
65.03927	2.7
67.05474	3.0
69.07065	3.4
69.68241	8.1
69.68677	8.8
79.05478	4.5
81.03386	2.9
81.07050	4.2
85.02908	3.8
91.05466	10.9
92.35801	2.5
93.07032	6.6
95.04950	3.3
95.08631	2.5
97.02923	2.8
103.05459	5.5
105.07027	9.2
107.04946	4.9
107.08590	3.1
109.06505	8.1
115.05453	5.5
115.08864	2.4
119.08560	3.4
121.06482	4.9
121.10144	2.7
122.03636	4.3
123.04428	4.5
131.04907	4.2
133.06451	5.1
137.02298	4.1
137.05965	92.8
138.06262	3.4
143.04935	10.5
145.06480	3.6
146.03577	5.8
147.04411	4.6
149.06001	11.6
151.03868	5.3
151.07529	5.4
155.04900	4.2
160.05151	3.1
161.05965	41.2
162.06744	9.3
163.07516	5.5
164.14627	2.3
165.06937	14.8
166.07745	9.4
167.07004	4.9
175.07535	16.9
177.06999	5.5
178.07803	7.1
179.07130	4.2
179.08540	14.4
179.09953	2.0
181.06451	5.5
187.07542	10.5
189.07068	5.3
190.07671	12.7
191.06941	4.0
191.08528	37.5
193.06564	5.3
194.07253	28.1
195.07977	4.0
197.11763	5.6
197.13669	4.9
203.08580	4.9
205.06467	14.8
206.07173	7.9
207.08046	17.2
208.08864	5.9
209.05835	3.4
209.09515	6.7
211.07549	7.2
218.07224	5.9
219.08037	47.2
220.08713	10.4
221.06065	12.8
222.06754	18.2
223.07425	4.6
224.08282	5.4
225.09058	7.6
231.08051	5.9
233.05960	6.9
233.09561	3.4
234.06680	3.3
235.07512	14.0
235.09502	2.5
236.08316	16.8
237.09148	21.6
238.09608	3.2
239.07085	3.7
239.10709	9.3
246.06734	4.2
247.07527	29.8
248.08247	13.1
249.08972	7.4
250.06262	4.8
251.06854	2.9
251.10680	28.3
252.07753	5.7
253.08565	8.6
254.09262	2.7
259.07477	3.5
261.09052	5.0
263.07059	4.6
263.10645	5.9
264.07712	13.6
265.08563	65.3
266.08975	4.6
267.06360	2.9
267.10065	8.6
278.09341	4.1
279.07086	5.7
279.10138	96.9
280.07458	2.7
280.10611	11.0
281.08035	5.8
281.10999	4.1
282.11142	10.2
284.09982	4.1
285.11209	4.8
291.10141	8.4
295.09610	27.3
296.10254	6.7
297.07758	4.1
297.11172	82.3
298.11658	3.2
299.12802	41.3
302.04306	3.0
309.11148	15.7
310.12000	26.5
311.12729	100.0
312.12949	5.3
314.13513	6.2
318.06024	4.7
329.06711	2.9
329.13818	8.2
341.13809	42.6
342.06140	4.6
359.11246	6.7
359.15408	5.2
359.19479	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53827	1.1
53.03933	1.6
53.36853	1.0
54.59789	1.0
55.01855	3.4
57.03421	5.0
57.07019	1.1
59.04988	2.0
61.02927	6.2
67.05487	3.6
69.03423	11.1
70.06582	2.3
71.04992	3.4
71.52083	2.2
72.08141	2.4
73.02906	2.5
79.05473	3.1
81.03403	6.5
81.07037	3.2
82.03779	1.1
83.04957	1.1
84.04498	1.3
84.53416	1.1
85.02895	35.5
87.04446	2.4
91.03947	2.7
91.05459	8.1
93.07018	7.3
95.04942	2.7
95.08582	4.6
97.02889	10.6
99.04427	2.2
105.07033	9.6
105.79841	1.3
107.04955	1.6
107.08577	54.4
107.97739	1.1
109.02865	5.1
109.06516	3.2
109.10129	10.0
111.34498	1.0
113.07181	1.2
117.03401	2.5
119.04945	1.2
119.08575	3.4
121.06489	2.6
121.10115	2.8
123.04437	2.6
127.03917	8.6
131.04901	2.0
131.08519	1.4
133.10107	23.7
133.28642	1.1
135.08029	2.0
135.11690	8.7
137.05962	5.0
137.09598	8.3
139.03891	1.4
143.11838	1.1
145.02827	2.9
145.04959	10.2
149.06010	1.6
151.03830	2.1
151.07526	2.0
151.11171	5.0
154.51308	1.1
161.05977	1.2
161.09578	9.0
163.03912	1.3
163.07545	1.5
167.07065	3.4
175.07516	1.1
177.05437	7.5
179.07123	1.3
179.10646	24.4
191.06953	1.3
197.11707	100.0
198.11989	4.2
204.75964	1.1
220.32912	1.1
222.54675	1.1
224.18991	1.2
291.10144	1.6
325.46738	1.2
329.06540	3.3
341.13596	1.7
359.11520	7.4
359.16711	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	359.1697
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
51.69606	1.4
57.03421	2.2
61.02894	3.7
69.03434	9.0
69.50876	12.9
73.02924	2.1
79.05479	3.1
81.03410	3.5
85.02900	43.4
87.04459	1.8
91.05479	8.2
93.07030	9.6
95.04939	3.6
97.02870	10.1
105.07040	8.0
106.14497	1.7
107.08588	26.8
108.08919	1.8
109.02869	3.7
109.06494	4.6
109.10144	1.9
119.08589	4.4
121.06549	2.2
123.11668	1.7
127.03875	6.3
131.08517	1.6
133.10118	27.7
135.11682	27.3
137.09521	1.9
145.04926	4.6
151.11186	1.6
161.09598	15.8
168.34251	1.8
179.10651	42.1
197.11714	100.0
197.38184	1.5
198.12068	4.6
383.34717	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
55.05487	0.7
61.02912	1.2
64.88861	0.5
67.05490	1.0
69.03426	3.6
71.04952	0.7
71.08622	0.5
73.02892	0.6
74.86147	0.6
79.05490	2.9
81.03407	1.3
81.07033	2.1
83.04962	0.7
85.02901	10.2
91.05466	3.7
93.07036	6.2
95.04933	0.7
95.08577	1.7
97.02867	2.1
105.07018	6.7
107.08578	35.4
108.08900	0.7
109.02853	0.6
109.06501	1.2
109.10129	1.9
119.04929	1.3
119.08558	5.5
121.06471	1.7
121.10116	5.5
123.08078	0.9
123.11699	1.1
123.24424	0.5
127.03928	1.3
128.06195	0.6
131.08563	1.3
133.06483	0.6
133.10120	17.4
135.11659	0.8
137.05952	4.3
138.06232	0.8
139.07520	1.9
143.08531	1.9
149.09616	4.0
151.03870	1.3
151.07533	1.5
151.11185	8.0
161.09592	4.8
167.07077	0.6
167.10657	12.6
168.78320	0.6
179.10640	15.0
197.11711	100.0
198.12056	4.0
198.14944	0.6
297.11194	0.8
311.12711	0.6
341.13834	1.0
359.11020	1.3
359.14999	0.7
360.69897	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32343	1.4
53.03932	3.9
55.01859	4.9
55.05496	3.2
57.03420	2.3
57.07058	2.1
60.01083	1.5
62.11799	1.7
65.03930	4.0
67.05480	7.6
69.03410	2.8
69.07058	6.2
71.04972	1.8
71.53119	2.0
75.56456	1.9
78.04704	1.8
79.05486	14.0
81.03403	3.5
81.07037	13.1
83.04955	1.7
83.08593	3.8
88.70571	1.6
91.05473	33.0
93.07033	18.1
94.04161	1.9
95.04946	7.7
95.08591	12.0
97.06509	1.7
97.10165	2.6
103.05457	32.8
105.07021	22.2
106.07409	1.7
107.04939	45.1
107.08578	11.1
109.02888	4.8
109.06494	4.2
109.10136	6.5
111.04441	2.9
115.05448	18.0
117.06998	28.9
119.04939	12.0
119.08600	10.2
121.02818	2.4
121.06495	32.3
121.10135	5.3
122.03658	3.2
123.04432	4.1
123.08066	3.5
123.11700	4.1
124.88885	1.8
125.05936	1.8
125.09690	2.9
128.06187	11.7
129.06979	5.1
131.04918	37.9
131.08539	1.8
132.05670	5.1
133.06482	13.3
133.10077	4.0
135.04376	5.1
135.08028	12.8
135.11647	3.0
136.05197	10.9
137.05965	53.5
138.06651	2.5
139.07567	2.2
143.04926	2.4
143.08557	14.2
144.05746	3.2
145.06476	20.9
145.07539	2.4
145.10106	4.4
146.07257	29.7
147.04413	6.0
147.08032	15.2
147.11703	2.2
148.05038	2.1
149.05946	6.9
149.09592	5.1
149.13263	3.9
150.06770	9.5
151.03894	6.5
151.07529	67.6
152.06148	2.4
153.05466	2.9
153.06970	2.8
157.06361	2.4
159.08032	3.4
159.11684	4.3
160.05165	6.8
160.08842	5.8
161.05974	8.8
161.09601	11.3
161.13197	2.5
162.06735	19.9
163.07526	62.6
164.08287	8.5
165.05458	5.2
165.06976	4.3
165.07655	1.9
165.09105	40.4
167.07018	8.4
167.08524	3.1
169.06487	2.2
171.06628	3.0
171.07991	14.4
172.08733	3.3
173.05963	6.5
174.06781	3.3
175.07530	100.0
175.11127	14.1
176.07848	2.4
177.09088	62.3
178.08295	2.5
178.09882	30.7
179.10649	38.4
181.04945	7.6
181.06442	3.7
181.08560	25.2
181.10023	2.7
185.09564	2.0
187.07513	5.2
188.08324	19.8
189.09023	3.5
191.10664	5.3
195.08063	4.1
195.10088	4.0
197.09656	2.8
199.07541	1.7
202.04964	2.4
203.10646	80.0
205.08598	3.1
207.08055	2.7
207.10107	2.8
209.06020	1.8
209.09607	2.7
210.06633	2.3
211.07492	5.1
213.09030	2.2
215.10620	3.1
219.07988	2.4
221.05984	3.2
221.09586	4.2
221.11650	35.7
223.07597	4.0
224.08293	3.1
225.05524	2.2
225.09055	4.6
227.07047	3.1
235.07492	2.9
236.08531	1.9
237.09038	6.0
238.06293	2.5
238.09819	4.8
239.07007	2.8
239.10561	2.6
240.07742	4.1
240.28413	2.0
241.08562	2.2
249.09039	7.3
250.09674	2.8
251.06975	3.9
251.10791	2.7
252.07858	4.7
253.08549	15.0
253.12184	5.6
254.09265	2.6
255.06523	4.9
255.10176	3.9
257.08005	4.5
265.08551	4.4
266.09201	1.9
267.10123	6.6
268.07227	2.2
268.10767	2.7
269.05109	2.0
269.08051	7.4
279.10046	2.1
280.10858	2.3
281.07980	2.4
281.11734	7.1
283.06299	1.8
283.09576	6.4
285.11121	6.7
295.13098	2.4
297.07678	4.3
297.11133	5.8
297.14264	2.2
298.08383	2.3
298.11862	2.6
299.09277	1.9
299.12708	4.5
300.09811	5.9
300.13007	2.3
305.24652	2.7
309.11090	2.9
310.12000	2.0
311.12488	2.9
312.13321	2.6
313.10645	22.3
313.14316	28.6
315.15820	2.8
326.11459	2.0
326.52966	2.0
327.12128	16.5
329.06555	7.0
331.15341	7.0
341.13690	16.5
341.17444	3.5
341.21066	3.0
342.14413	2.9
344.08710	2.1
359.11087	10.6
359.14789	27.6
359.18585	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1848
Annotation	Virolin
Peak:m/z	Relative Intensity
51.65945	1.9
53.03932	4.0
55.01866	6.4
55.05497	6.1
55.79681	1.9
64.69755	1.8
65.03918	2.4
67.05487	8.4
67.45883	2.3
69.03413	3.1
69.07055	4.4
71.52464	1.7
71.52856	2.6
79.05490	13.5
81.03403	6.1
81.07070	13.6
83.08598	2.4
85.06531	2.2
91.05476	36.0
93.07025	13.2
94.55338	1.9
95.04951	8.9
95.08613	12.2
97.06554	2.6
97.10147	2.2
98.27175	1.9
103.05456	37.2
105.07018	23.3
105.51353	1.9
107.04947	46.5
107.08570	7.0
108.05700	2.6
108.34328	2.0
109.02869	5.7
109.06517	6.9
109.10162	6.6
111.04422	5.2
115.05410	15.6
117.07014	25.9
119.04951	16.6
119.08556	7.5
121.02909	2.8
121.06496	33.8
121.10131	6.2
122.03639	4.5
123.08087	4.7
123.11743	4.2
125.05991	4.2
128.06218	14.4
129.07021	3.9
130.04115	2.4
131.04922	46.3
131.05847	4.1
131.08601	4.6
132.05727	5.5
133.06479	13.3
133.10089	4.3
134.07214	3.8
135.04381	5.1
135.08029	17.0
135.11676	2.8
136.05161	15.2
137.05972	64.0
138.06702	2.9
138.38435	1.9
139.52194	2.2
142.13812	2.1
143.04900	2.5
143.08533	17.2
144.05635	2.2
145.06483	21.8
145.07541	4.0
145.10124	7.7
146.07242	29.4
147.04340	4.0
147.08022	12.9
147.11687	4.1
149.05977	9.1
149.09554	5.3
149.13251	5.1
150.06757	9.7
150.75877	2.5
151.03876	4.3
151.07539	72.9
153.05493	3.2
153.07169	2.3
159.08051	9.1
159.11720	2.9
159.97705	2.2
160.05211	5.4
160.08836	5.5
161.05998	13.0
161.09612	10.3
161.13324	2.9
162.06749	16.6
163.07529	63.1
164.08331	11.4
165.05470	6.3
165.06917	3.3
165.09102	40.6
167.07028	4.6
171.08046	12.8
172.08923	4.6
173.05942	3.5
174.06697	3.3
174.28221	2.0
175.07530	100.0
175.11108	15.7
177.09091	57.5
178.09874	29.5
179.08475	2.7
179.08945	2.7
179.10649	33.7
181.04959	7.1
181.08597	28.2
187.07492	2.7
188.08279	10.9
189.09093	3.2
191.10660	8.8
194.07239	2.4
195.08025	4.6
195.10074	4.6
197.09554	3.2
202.05034	4.0
203.10658	75.5
203.12581	3.9
207.07869	2.5
209.06036	2.9
212.08200	2.0
212.53658	2.0
213.09026	2.5
219.08043	4.0
220.08850	2.3
221.06038	3.4
221.09727	4.5
221.11697	33.6
222.12228	2.1
223.07478	4.2
224.08281	2.7
225.09073	2.5
237.09093	4.2
238.09898	4.7
240.07785	3.1
249.09097	4.8
251.06920	2.7
252.07745	2.7
253.08607	10.3
253.12239	4.4
254.09459	3.0
255.10162	5.8
257.08090	2.7
265.08585	5.1
266.09384	4.6
267.10117	6.4
268.10751	2.4
269.08014	4.7
279.10159	2.6
281.11841	5.5
283.09607	6.1
284.10205	2.5
285.11130	4.3
295.12994	2.1
297.11151	5.7
298.08334	3.1
299.12839	6.5
300.09940	3.8
309.10995	3.6
309.14728	2.2
311.12637	3.7
312.13367	2.8
313.10657	20.3
313.14334	26.1
327.12222	11.2
328.13019	2.3
329.06540	5.6
331.15253	3.3
332.40286	2.1
341.13824	10.5
341.17480	5.9
341.21112	2.6
344.87360	2.0
359.11099	6.5
359.14755	20.9
359.18564	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	359.1851
Annotation	CHEBI:69674
Peak:m/z	Relative Intensity
53.03936	1.5
65.03937	4.0
66.04731	1.1
67.05519	0.9
69.07072	1.2
71.08164	1.9
79.05493	5.5
81.07040	1.9
88.81358	0.8
91.05459	8.5
91.05917	0.8
93.03417	3.6
93.07050	1.1
94.04193	3.0
95.04962	3.6
101.99950	0.9
103.05453	2.7
105.03434	0.9
105.07018	13.9
107.04929	5.0
108.05726	2.7
109.06519	4.7
111.04436	7.2
115.05492	1.1
117.06966	2.4
118.04106	1.1
119.04948	3.0
119.08525	1.0
121.06506	4.3
122.03627	5.8
124.05206	3.6
125.05991	9.0
128.06194	1.0
129.17171	0.9
131.04935	2.3
133.06465	10.7
134.07393	1.0
135.04443	2.0
135.08076	1.4
136.05167	4.9
137.05971	67.9
138.06776	4.2
139.07538	15.6
141.05527	1.0
143.08559	3.0
145.06477	3.5
147.04399	1.0
147.08051	3.6
148.08803	1.3
149.06027	2.6
150.06752	4.0
151.03903	29.7
151.04951	2.5
151.07529	100.0
152.07913	2.2
153.05455	16.5
155.07047	2.3
159.08083	2.0
160.08786	1.4
161.06015	1.4
161.09552	1.3
162.06750	4.3
163.07541	3.2
164.08313	5.4
165.05464	64.1
165.09108	29.9
166.05792	2.1
167.07033	14.9
171.08066	5.1
172.08730	1.1
174.10437	1.0
175.07553	2.1
176.08331	2.2
177.09103	4.5
179.10664	25.3
179.12190	1.6
181.08621	3.2
186.10481	2.3
187.07564	1.0
188.08327	4.6
191.07028	1.7
191.10684	2.9
193.08643	1.7
195.10190	3.2
202.09871	5.4
203.10634	15.4
205.12274	3.3
206.05754	1.0
207.10381	0.9
217.12221	10.7
221.11708	36.5
222.12090	1.7
235.13264	28.8
240.07698	1.3
255.10248	1.9
267.09955	0.9
283.09680	1.2
298.12073	1.3
299.12668	1.3
309.11130	1.0
309.14755	1.4
310.11990	1.6
329.06442	2.6
341.13770	4.6
341.17517	3.7
359.11102	3.7
359.14853	1.8
359.18597	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	359.1848
Annotation	Virolin
Peak:m/z	Relative Intensity
53.03915	3.0
55.01860	9.7
55.05487	4.7
57.03438	3.6
65.03938	4.9
67.05499	6.4
69.03421	4.9
69.07063	6.7
69.46333	22.5
73.95078	2.6
75.66368	2.5
79.05486	19.5
81.03424	4.2
81.07044	11.5
83.04975	2.9
85.02876	3.5
91.05458	21.4
91.87742	2.6
93.07046	26.0
94.04174	2.7
95.04964	11.6
95.08595	7.3
98.20745	3.9
101.96000	3.3
103.05461	36.9
105.07037	23.2
107.04917	21.5
107.08572	7.3
109.06490	3.5
109.10130	6.0
110.03643	3.2
111.04398	3.8
114.57294	2.4
115.05480	5.6
117.07019	7.5
119.04909	4.3
119.08560	10.4
120.05688	3.3
121.06495	55.3
121.10134	3.9
123.04401	3.6
123.08047	3.6
125.05968	2.7
128.06248	6.6
129.07014	4.2
131.04933	6.2
131.08498	3.2
132.05698	3.0
133.06488	7.7
133.10120	15.2
134.07266	3.9
135.04393	8.6
135.08035	24.5
136.05183	6.1
137.05936	13.0
138.03131	7.4
138.06798	3.7
139.07594	5.3
143.08575	17.8
145.06393	6.2
145.10149	6.3
146.07242	8.5
147.04405	5.1
147.08009	10.1
149.05965	67.6
149.09602	3.2
150.06723	11.9
151.03903	5.5
151.07535	100.0
152.07840	3.3
153.05452	98.2
155.07016	2.6
159.08054	7.9
160.08801	7.4
161.05962	7.5
161.09589	12.7
162.06776	4.1
163.07545	24.9
164.08344	4.9
165.05461	57.3
165.09102	87.7
166.06149	3.0
166.09496	2.9
167.07111	3.1
171.08038	11.1
172.08809	3.9
173.05986	3.6
175.07489	8.8
175.11099	13.0
177.09077	8.3
178.09900	7.7
179.07039	3.7
179.08675	2.7
179.09189	3.6
179.10643	26.2
181.05020	5.4
181.06750	2.7
181.08574	58.8
188.08295	7.6
189.09058	25.0
191.07025	7.7
191.08716	4.0
191.10564	5.4
193.08575	7.1
196.08720	3.1
202.09816	3.4
203.10641	28.7
205.12233	7.2
211.07692	3.1
217.12177	5.0
219.10121	2.9
221.11708	51.4
223.07523	4.5
225.09134	3.9
228.11517	3.4
237.08949	5.1
239.10648	5.2
240.07649	5.1
241.08676	2.7
249.12772	4.0
251.10846	5.7
253.08548	8.7
253.12277	4.6
254.09160	3.2
255.10208	3.8
266.13000	3.1
269.08057	4.7
277.12253	2.9
279.10437	3.5
281.15393	10.2
283.09537	3.3
297.11194	4.5
298.12024	5.9
299.12894	5.1
299.16217	5.3
301.07379	3.7
309.14774	9.5
313.10648	15.0
313.14243	12.2
313.17569	3.5
323.16232	3.0
327.12262	6.3
327.15903	8.5
329.06650	13.5
331.15488	3.2
341.13712	14.1
341.17502	24.6
344.08578	3.0
359.11179	19.6
359.14859	11.9
359.18332	17.2
360.11392	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	359.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01853	0.2
55.05488	0.6
57.03419	0.2
65.03907	0.4
66.04711	0.4
67.05466	0.3
69.27937	1.8
70.72723	0.2
77.03918	0.2
78.04700	0.2
79.05485	0.9
80.06265	0.4
81.07036	0.3
83.08646	0.2
90.04675	0.2
91.05470	3.4
93.07040	1.1
94.04167	0.4
95.04941	0.4
95.08581	0.3
103.05444	0.3
105.07021	1.1
106.04152	0.5
107.04938	4.4
108.05722	2.0
109.06512	1.1
118.04105	0.2
119.04911	0.3
119.06047	0.3
119.08561	0.5
121.06493	2.7
122.03641	0.7
123.04365	0.3
123.08117	0.9
124.05212	1.0
133.06468	2.0
133.10040	0.2
134.07286	0.4
135.04414	2.0
135.07997	0.4
136.05183	13.6
137.05965	8.9
138.06757	1.0
139.07518	1.5
147.08005	1.6
147.11633	0.3
149.05969	0.2
150.06691	1.1
151.07523	100.0
152.07867	1.6
157.10039	0.2
160.08858	0.3
161.09570	0.2
164.08272	0.5
165.05453	1.3
165.09097	5.5
171.11646	0.4
173.05965	1.7
175.11162	3.0
179.10611	2.0
185.05818	0.2
189.12706	2.3
190.13539	0.4
191.10672	0.2
193.08662	0.3
199.07559	0.2
203.06816	0.2
207.13701	1.0
211.07570	0.4
221.15337	17.6
222.15543	0.3
225.09093	0.2
226.09918	1.0
235.16832	1.0
242.09341	0.2
257.11664	1.5
262.23788	0.2
285.14618	0.2
301.07166	0.3
327.19409	0.3
329.06583	0.6
344.19907	0.6
359.11359	0.9
359.22235	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40625	1.1
53.93459	1.0
58.06601	1.0
65.03925	1.6
70.65448	2.1
70.65836	1.9
71.04965	1.6
81.03448	1.1
85.02901	4.7
86.09690	2.3
91.05473	1.3
96.81561	0.9
97.02863	1.8
107.04935	1.4
111.27529	1.1
120.50993	0.9
121.02900	1.4
121.06468	1.4
133.02878	1.7
135.04427	2.5
137.05959	2.6
145.04924	1.1
149.02325	100.0
150.02626	2.3
163.03891	68.7
163.07516	1.8
164.04253	1.2
167.03342	1.0
181.03368	2.2
181.04938	32.6
208.09630	1.1
217.33246	1.0
220.48645	0.9
298.11758	1.0
328.12296	1.1
361.08960	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.0
56.96539	1.1
57.03415	1.2
65.03930	0.4
67.05477	1.1
68.99767	1.7
69.03394	0.6
69.07022	0.6
70.06583	4.2
70.09206	2.2
71.01334	0.5
79.05449	1.2
81.03373	0.4
81.07018	1.0
82.27311	0.5
83.01324	1.0
85.02881	0.9
91.05472	2.9
93.03358	0.6
93.07021	0.8
95.04972	2.4
95.08584	1.2
98.97565	2.8
103.05396	0.6
105.07023	2.0
107.04920	1.7
107.08556	1.3
109.06474	0.5
115.05408	0.5
115.70607	0.4
116.98582	2.0
117.07001	3.1
119.04917	2.2
119.08547	1.5
121.06477	4.1
123.04414	26.4
123.08047	0.6
128.98610	0.4
131.04869	0.5
131.08400	0.4
133.10101	1.2
134.99507	0.4
135.04422	2.0
135.08047	3.2
135.11650	0.5
136.07588	2.3
137.05942	1.9
139.03899	8.6
140.04230	0.7
145.04944	0.5
145.06433	3.4
147.04378	9.7
147.08055	0.7
148.04907	0.6
149.05943	3.1
151.03897	2.4
153.05446	0.6
157.06464	1.1
158.99562	0.7
161.06020	2.1
162.22870	0.4
163.03972	2.0
163.07529	17.3
164.07889	0.6
165.05467	4.1
167.06990	0.5
169.22089	0.4
173.04599	0.7
173.05959	6.6
175.07504	1.3
175.14816	0.6
177.00633	0.9
179.07005	6.5
181.08658	0.5
185.05949	0.9
187.07507	0.5
188.07024	0.7
189.05490	0.6
190.06886	0.7
190.08612	12.9
191.07008	61.7
192.07272	0.9
203.07043	3.6
206.08879	2.1
206.59015	0.4
207.06540	1.2
208.09663	100.0
209.10063	2.5
215.09319	1.3
219.01901	0.5
220.09677	2.4
221.08041	0.5
226.60139	0.5
227.71828	0.4
234.99237	0.4
251.59848	0.4
255.05098	0.6
267.12653	1.0
273.07550	0.5
284.10858	0.4
309.13638	0.7
325.10645	5.5
342.13257	3.6
343.11768	2.6
347.04501	0.5
360.14383	25.0
361.09341	0.5
361.14359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58628	1.1
53.79135	1.3
55.01864	1.6
55.05492	1.1
57.03427	3.9
61.02911	2.7
69.03419	6.3
70.06573	3.7
71.52089	2.1
72.08129	1.2
73.02924	1.3
73.37475	1.1
79.05497	2.5
79.14076	1.1
79.62942	1.2
81.03408	2.3
81.07038	1.5
82.94360	1.2
83.04962	1.2
85.02892	18.1
91.05456	4.1
93.07043	4.1
95.04945	3.0
96.71165	1.1
97.02891	4.9
99.04440	1.8
103.05448	10.2
105.07039	2.2
107.04944	38.0
107.08562	1.4
108.90037	1.0
109.02869	4.4
109.06464	1.4
117.07025	1.8
119.04928	2.7
121.06484	13.3
123.04409	13.0
124.07594	1.1
127.03872	3.0
131.04916	13.4
135.04344	1.4
135.08026	6.2
136.07504	1.7
137.05977	3.6
140.03453	1.4
145.04924	4.5
147.04385	6.6
148.05154	4.6
149.05939	11.4
161.05887	1.6
163.03876	2.5
163.07503	25.1
165.05495	3.3
167.06987	3.5
173.05943	4.0
178.06328	1.4
179.07002	3.2
180.07813	3.6
180.10170	1.2
181.08572	100.0
182.08948	2.7
188.46916	1.3
190.08641	5.7
191.07004	34.2
198.08916	1.3
198.11229	2.6
203.07132	1.4
208.09660	59.1
209.10083	2.5
268.32596	1.3
320.63019	1.3
325.10605	3.4
342.13489	1.8
343.11850	3.1
360.14267	14.9
361.09122	3.6
361.14621	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	360.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
57.03409	1.7
58.06582	2.6
61.02912	1.2
67.05118	1.0
69.03410	2.4
70.06567	3.7
71.52164	1.3
81.03401	1.4
84.04486	2.1
85.02914	7.9
91.05438	1.2
93.07047	1.1
97.02867	2.5
99.45627	1.1
103.05482	2.8
105.07040	1.7
107.04916	1.7
107.08568	2.0
109.02894	1.3
111.06707	1.1
117.06995	1.7
117.57733	1.3
121.06456	2.6
123.04417	100.0
124.04695	1.5
127.03891	2.6
131.04918	7.4
135.08025	4.5
137.05933	3.3
145.04887	1.6
145.06476	3.7
147.04393	2.5
149.05956	1.8
149.60329	1.1
153.67444	1.3
161.05887	1.4
163.03885	1.7
163.07532	30.8
165.05444	1.7
167.07094	1.3
173.05937	1.2
175.07513	2.3
179.06927	1.5
181.08539	7.8
187.07492	2.5
189.09117	1.1
190.08624	4.3
191.07022	17.9
198.02228	1.3
198.11971	1.8
208.09686	29.8
209.10025	1.5
230.30829	1.3
255.06479	1.5
261.08856	1.3
273.07584	1.2
301.06775	1.4
311.12750	3.9
315.08591	2.4
315.12054	1.2
330.07111	1.2
360.14413	7.7
360.18362	1.1
361.09128	3.7
361.13803	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75606	9.1
53.03930	9.0
55.01860	10.1
55.05502	43.8
67.05505	88.0
69.07058	52.9
70.70361	25.1
71.04986	80.6
79.05488	96.9
81.07047	59.5
83.08578	23.8
85.02898	11.5
91.05443	54.8
93.07039	92.8
95.04967	23.5
95.08591	37.3
96.54040	10.0
97.10170	24.1
102.69147	10.9
103.05463	12.0
105.07025	34.1
107.04953	31.5
107.08591	53.6
109.02909	12.2
109.06545	9.1
109.10152	77.3
109.15608	9.4
109.79141	9.6
116.38768	10.2
119.04903	11.9
119.08585	20.2
121.06500	23.0
121.10113	70.6
125.09637	17.7
128.27538	9.2
129.06956	9.6
131.08539	20.0
133.10110	20.4
135.08029	31.9
137.06007	42.7
144.08842	10.2
145.10095	15.5
147.04434	12.9
149.05939	15.6
151.03894	39.7
151.07492	55.2
153.05524	13.7
153.12733	36.4
155.10663	15.1
157.06526	9.7
161.05997	13.4
161.09648	10.9
162.06543	11.6
163.07477	19.9
163.11172	11.0
165.05481	38.7
165.09125	11.1
166.05846	24.6
167.07021	59.1
173.05980	12.8
173.11736	95.3
175.07574	12.8
176.07964	12.4
177.09042	12.2
178.06204	23.7
181.04965	14.2
181.06531	10.4
181.08565	29.8
186.01645	17.0
189.09209	15.8
189.11234	32.4
193.08659	14.4
195.16571	9.2
207.10077	13.2
223.07501	15.5
224.08058	11.1
253.08498	10.2
275.20023	38.9
299.12366	12.9
314.10968	40.3
314.14700	25.1
315.12009	17.7
328.12491	12.7
331.04263	15.5
342.14200	100.0
346.06943	12.1
360.11417	12.3
360.15231	29.0
361.09109	81.5
361.23590	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1487
Annotation	Semperoside
Peak:m/z	Relative Intensity
57.03419	1.7
67.86069	1.0
69.03406	3.5
71.52179	0.9
71.52592	1.9
72.08157	1.2
79.05470	1.7
81.03407	11.2
83.04993	1.0
84.08142	1.9
85.02896	7.0
91.05463	2.2
93.07009	1.5
94.04175	2.2
97.02862	3.2
107.04941	1.7
110.65508	1.0
117.06976	1.8
119.04895	1.2
121.06464	2.6
122.03619	3.1
123.04388	2.1
127.03947	1.4
131.04910	2.5
133.06424	1.2
137.05962	100.0
138.06259	2.1
145.06430	3.3
147.04356	2.6
151.07542	8.8
153.05467	1.2
155.08173	3.8
157.06506	1.3
160.05147	1.7
161.05971	1.8
163.07518	3.9
165.05469	1.1
167.07062	5.6
175.07550	5.0
177.08992	1.8
179.07018	1.9
181.08545	6.0
186.01666	1.3
187.07361	1.3
188.03612	1.7
189.09087	1.2
191.06979	3.0
199.10760	3.2
205.08583	1.5
209.08061	2.0
331.04385	2.1
352.74240	1.2
361.09167	6.9
361.14740	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	361.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43554	1.5
57.03404	1.6
69.03418	3.7
69.66697	9.5
71.24928	1.5
78.16222	1.3
79.05507	1.6
81.03409	16.0
81.07054	2.2
85.02891	7.0
91.05492	2.5
93.07031	2.8
97.02881	4.1
99.04452	1.5
103.05483	2.3
111.04485	1.9
117.07003	1.6
119.04963	1.5
121.06503	5.0
122.03635	2.7
123.04417	3.9
123.08031	2.1
127.03910	2.3
131.04892	2.3
137.05965	100.0
138.06345	3.0
138.39404	1.4
139.07460	3.2
147.04393	3.3
149.05992	1.8
151.07524	7.8
160.05205	2.5
163.03831	1.9
163.07544	4.0
165.66452	1.7
167.07042	20.2
175.07541	5.4
177.09048	3.4
178.06233	1.6
179.07083	2.8
181.08582	6.4
185.00908	1.6
189.09087	1.5
191.07027	4.8
193.08623	1.7
199.09644	6.8
202.64372	1.4
209.08014	4.0
229.08696	3.5
331.04294	2.6
346.06332	1.6
361.09140	6.6
361.14615	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	361.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.6
55.01865	4.5
55.05503	4.9
57.03424	2.6
65.03929	3.5
67.05506	7.7
68.99809	2.3
69.03428	6.8
69.07057	7.3
71.52750	3.3
78.04697	5.9
79.05488	20.2
81.03412	3.7
81.07066	14.2
83.04988	3.2
85.06542	2.6
91.05475	39.4
93.07043	19.4
95.04958	16.9
95.08588	8.7
97.02893	2.4
99.04434	3.5
103.05442	19.2
105.07024	19.3
106.04129	3.9
107.04944	34.8
107.08577	8.7
109.02851	10.7
109.06517	7.1
109.10161	6.1
111.04447	6.4
111.08038	2.1
115.05443	7.3
117.06998	6.2
118.04134	3.4
119.04951	7.3
119.08559	6.9
120.05687	3.6
121.02841	2.3
121.06490	26.5
121.10111	3.9
122.03700	2.7
123.04411	14.2
123.08060	3.2
123.11729	2.4
124.05215	6.7
125.06004	6.6
127.03915	3.1
128.06204	11.4
129.06998	35.9
131.04907	14.8
131.08577	17.1
132.71237	2.7
133.02840	6.2
133.06497	9.9
133.10123	6.0
135.04417	5.9
135.08067	10.6
135.11676	3.3
137.05971	30.0
141.06996	3.6
143.08521	3.3
144.05659	4.2
145.06471	10.2
145.10161	6.4
146.03619	2.5
146.07266	4.0
147.04430	10.1
148.05130	5.2
149.05989	11.2
149.09647	3.2
151.03911	7.1
151.07523	31.1
152.04675	6.7
153.05470	17.2
153.06789	3.9
155.07141	4.3
157.06468	22.5
157.10127	4.8
159.07985	5.2
159.11717	3.8
161.05978	44.6
161.09593	15.5
163.04044	2.7
163.07524	30.8
165.05450	8.9
165.06985	13.2
165.09111	11.7
166.06284	15.7
166.07623	3.6
167.07047	100.0
167.08522	7.5
168.07414	2.4
169.06387	2.4
169.10095	3.2
171.08023	3.0
174.06789	16.5
175.07535	10.9
177.05444	3.0
177.06944	2.5
177.09109	13.2
178.06256	5.2
178.07716	5.4
179.07013	11.1
179.08565	8.5
179.10591	2.6
181.04994	7.4
181.06535	7.1
181.08577	92.1
182.07233	8.5
182.08888	3.3
183.07991	4.9
186.01527	3.7
187.07591	3.5
189.09099	83.4
190.09383	3.2
191.07027	5.6
191.08653	5.0
191.10605	3.3
193.06566	5.4
193.08583	4.0
194.07228	7.3
195.08069	16.1
196.05095	3.1
196.08885	2.8
197.08075	2.3
197.09575	11.3
198.06642	2.9
199.07509	4.8
200.12776	2.5
203.10649	3.3
205.08528	3.4
206.07401	2.3
207.06421	4.7
207.08212	5.4
207.10193	13.4
208.05251	2.8
208.08803	6.1
209.05920	2.3
209.09502	3.0
210.06738	9.7
211.07573	7.6
212.08264	3.6
219.08069	6.9
219.10057	3.7
221.05989	7.7
222.06693	4.1
223.07562	9.6
223.11320	2.8
224.08156	5.1
225.09076	17.7
225.16437	2.8
227.07048	7.9
229.12273	3.7
235.07561	7.3
236.08211	4.7
237.09172	3.8
238.06157	4.1
239.07031	3.2
239.10605	6.1
240.07700	7.2
241.08455	4.3
242.09375	2.8
247.07617	4.1
251.07066	8.3
251.10661	9.3
253.08559	18.9
255.06447	4.0
255.10246	6.3
257.08301	2.2
257.08960	2.7
257.11685	20.1
259.09610	3.0
265.08743	5.2
267.10275	4.1
268.07233	2.7
269.07956	5.8
269.11841	2.9
270.08801	4.2
279.10165	4.2
283.09622	13.2
283.13290	10.6
285.07932	3.1
285.11133	38.6
286.11752	4.4
297.11035	6.0
299.09100	5.4
299.12671	5.0
300.09863	3.8
302.11386	4.2
311.12674	11.1
314.11169	2.4
315.12082	20.3
315.14999	2.3
317.13794	25.7
329.13287	6.0
331.04520	7.6
331.15527	6.0
343.15375	12.4
343.18823	2.6
346.06763	3.8
361.09222	23.6
361.16400	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47690	2.6
53.58848	2.2
62.70026	2.2
65.03935	2.8
67.05500	3.2
67.40780	2.3
69.69130	12.1
78.04696	2.5
79.05503	18.9
81.07055	6.2
83.05005	2.5
91.05472	26.0
91.40850	2.5
93.07028	14.2
94.64512	2.2
95.04955	7.8
95.08576	4.4
95.75401	2.1
103.05449	14.1
105.07052	12.8
106.04181	2.9
107.04952	41.0
107.08582	2.7
109.06540	2.4
111.04485	4.8
115.05463	6.1
117.07016	7.7
118.97935	2.1
119.04922	7.6
121.06496	23.2
123.04427	11.1
124.05241	6.0
125.05968	3.3
128.06218	10.3
129.07008	29.4
131.04912	9.2
131.08565	11.7
133.02724	3.0
133.06497	6.4
135.04401	3.7
135.08078	5.2
137.05963	20.7
145.06482	6.7
146.07277	4.4
147.04382	4.8
147.08109	3.6
148.05136	5.3
149.05942	8.7
149.09570	3.7
151.03894	6.5
151.07520	25.9
152.04675	3.7
153.05495	13.7
157.06493	17.4
161.05959	49.5
161.09641	16.2
163.07533	25.7
165.07002	7.1
165.09123	7.6
166.06235	13.3
167.07047	69.3
167.08423	5.3
168.07430	3.7
174.06746	15.7
175.07509	11.8
177.09126	13.9
178.07729	3.8
179.07016	4.6
179.08554	5.5
179.10448	2.8
181.06644	6.3
181.08598	100.0
182.07291	8.1
183.08069	3.7
187.07611	3.1
189.09088	86.1
190.07806	4.8
191.08685	3.7
191.10692	3.4
193.06480	3.0
193.08528	2.9
194.07289	5.9
195.08040	15.8
197.05936	4.7
197.09717	11.9
199.07527	3.4
205.06403	3.6
205.10149	2.8
207.08205	5.7
207.10181	20.0
209.09547	3.9
210.06810	6.4
211.07559	6.9
212.08511	2.8
219.08054	5.1
221.05969	6.3
221.09566	3.2
223.07579	8.5
223.11243	3.6
224.08372	3.9
225.05682	3.2
225.09044	17.5
227.07004	8.0
233.09683	2.7
235.07541	5.5
236.08344	6.3
237.09099	5.7
239.06985	4.2
239.10655	3.4
240.07753	6.6
241.08575	5.6
242.09285	4.4
247.07391	4.1
251.06888	4.4
251.10674	10.8
252.07657	2.7
253.08600	17.8
255.06535	5.2
255.10091	8.7
255.12926	2.2
257.11716	19.4
267.10303	5.0
268.07541	3.1
269.08136	3.7
270.08823	4.0
279.10077	7.2
283.09647	13.1
283.13202	9.4
285.07950	4.8
285.11182	32.2
296.10434	4.1
297.11234	3.1
302.11444	5.6
311.12662	9.2
315.12308	22.7
317.13800	22.3
329.13293	2.4
331.15527	3.5
343.15244	11.8
358.27438	2.6
361.16299	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	361.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01873	2.1
57.03400	1.9
63.85173	1.8
65.03938	2.6
67.05492	3.7
69.03407	2.3
69.07062	2.5
69.26754	6.0
69.27175	12.0
78.04707	2.1
79.05493	18.0
81.07038	6.9
83.04992	2.9
85.06610	2.7
91.05477	28.0
91.79016	2.0
93.07049	15.3
95.04958	10.1
95.08595	2.3
103.05471	10.9
105.07027	16.8
106.04160	2.0
107.04948	32.6
107.08546	3.1
109.06506	3.7
109.10086	3.1
111.04492	3.1
113.39853	1.7
115.05434	4.9
117.06999	7.9
119.04926	7.9
119.08553	5.0
120.05692	3.9
121.06490	25.8
121.10168	1.8
123.04412	10.5
124.05206	6.0
125.05944	2.5
128.06212	11.9
129.06995	30.3
131.04936	13.1
131.08546	13.4
133.02879	3.4
133.06473	5.5
135.04367	4.6
135.08035	5.7
135.11685	1.9
136.05267	2.0
137.05962	23.1
139.07573	2.5
141.06960	2.6
145.06464	6.6
146.03564	2.0
146.07281	3.8
147.04399	6.4
147.08000	2.5
148.05171	5.0
149.05980	7.6
149.09557	2.6
151.03897	5.1
151.07530	20.2
152.04692	2.9
152.06216	3.3
153.05458	18.4
153.06677	2.5
155.07066	3.1
157.06494	20.9
159.08078	3.2
161.05981	44.6
161.09584	11.6
163.07529	22.6
165.05626	3.7
165.06973	10.8
165.09039	8.4
166.06261	12.7
166.07581	3.0
167.07036	80.2
167.08517	4.8
168.07385	2.5
173.05974	2.1
174.06758	10.9
175.07504	10.1
177.05612	1.9
177.07031	3.0
177.09058	8.7
179.07013	5.9
179.08571	5.3
181.06512	7.7
181.08580	100.0
182.07204	5.7
182.08797	3.1
183.08044	3.6
189.09090	91.4
190.07800	2.8
190.09378	2.0
191.08595	3.6
191.10649	3.0
193.06512	5.5
193.15880	2.5
194.07188	5.5
195.08086	12.2
197.05983	2.6
197.09624	11.5
199.07550	3.6
203.10718	1.9
207.08113	4.8
207.10173	17.2
208.08806	4.2
209.05940	2.4
209.09581	2.5
210.06741	7.3
211.07518	6.2
218.07295	2.0
219.08025	6.3
219.10088	2.2
221.05960	7.6
222.06763	3.5
223.07521	7.6
223.11108	4.4
224.08264	3.5
225.05487	2.5
225.09050	17.4
227.07040	8.2
229.12242	3.3
231.78397	1.8
235.07489	5.3
236.08374	3.9
237.09106	5.0
239.07043	5.8
239.10532	3.3
240.07794	4.4
241.08548	3.7
242.09482	3.1
247.07588	3.7
251.06943	5.1
251.10704	7.1
253.08588	19.7
254.09119	3.5
255.06482	4.1
255.10110	5.0
257.08984	2.7
257.11655	18.9
259.09521	2.5
265.08670	3.4
267.06491	2.0
267.10172	3.8
268.07309	4.6
268.10776	2.3
269.08014	3.9
270.09152	3.4
271.09705	2.6
271.13287	2.7
279.10037	6.4
281.08179	3.6
283.09653	15.0
283.13275	9.6
285.07928	2.7
285.11166	39.0
286.11740	3.3
296.10355	2.6
297.11047	4.3
299.09244	3.3
299.12662	4.0
301.10733	3.2
301.14215	3.1
302.11536	3.8
305.13882	2.2
311.12833	4.4
315.12213	17.6
316.12265	2.4
317.13785	21.8
329.13788	3.5
331.15311	4.9
343.15570	10.0
357.61893	1.6
361.09256	3.1
361.16431	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	361.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.3
55.05516	17.5
57.07074	4.4
67.05501	41.1
69.03412	11.6
69.07071	15.1
69.70686	19.8
71.04986	6.7
73.02921	3.2
76.86668	3.5
77.03876	3.3
78.32463	2.6
79.05491	36.9
81.07046	73.2
83.04976	38.7
83.08613	5.2
85.06522	5.3
85.16048	3.1
91.05478	46.4
93.07042	89.9
95.04958	9.2
95.08607	61.6
97.06523	16.3
97.10178	12.1
99.08089	3.7
101.06012	6.8
103.05485	3.4
105.07026	79.1
107.08588	44.2
109.06506	8.3
109.10143	48.9
111.08077	9.4
117.07016	12.4
119.04961	3.0
119.07805	4.9
119.08588	68.1
120.13972	2.8
121.06502	6.2
121.10134	54.0
121.10939	5.0
123.08071	12.7
123.11694	28.5
125.09698	4.2
128.06303	3.0
129.06938	4.1
131.08553	32.0
133.09239	4.6
133.10135	43.9
135.11673	14.6
137.05983	6.8
143.08597	4.6
145.10115	55.5
147.11682	40.9
149.09639	5.7
149.13249	20.7
151.11169	20.1
151.39760	2.9
159.11671	19.0
161.06000	3.7
161.13264	11.6
163.07565	4.3
163.11192	7.3
165.12674	6.0
167.07004	16.9
175.14816	100.0
176.15172	4.3
178.06148	3.7
179.07077	4.5
179.14249	4.1
181.05000	4.3
187.14809	52.1
189.08945	4.2
193.15866	32.5
195.81081	3.1
205.15875	42.9
207.06514	4.2
207.10118	3.0
221.04735	33.2
223.16937	53.3
235.06354	7.1
274.08466	3.4
313.14511	5.5
331.15686	36.1
343.15714	38.5
361.09283	5.5
361.16785	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84330	1.0
57.94934	1.0
61.02913	1.1
69.03410	1.9
70.81325	4.0
78.08387	1.0
79.05465	1.5
81.03413	2.4
85.02900	13.5
91.62220	1.1
93.07076	1.1
95.04881	1.1
97.02866	2.5
103.05454	2.0
105.07020	19.6
107.04913	1.5
109.06529	1.1
117.50843	1.2
127.03896	2.1
133.06476	25.4
137.05965	27.9
139.03856	2.1
145.04935	1.1
145.06419	1.5
150.06735	1.1
154.01352	1.2
165.09106	100.0
166.09465	2.2
174.06633	1.3
175.07329	1.1
177.09085	1.8
180.08612	1.2
183.10155	6.2
189.09062	2.6
193.08557	1.4
207.10225	2.4
255.50481	1.1
256.77899	1.0
273.11148	1.6
310.69958	1.3
360.50232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.7
55.68356	0.8
57.88586	0.7
61.02895	1.4
69.03411	2.8
70.04545	3.4
79.05467	2.2
81.03408	1.1
85.02911	7.7
97.02885	2.7
104.67107	0.7
105.00240	0.7
105.07021	19.4
109.06495	0.9
123.04423	1.6
127.03894	1.2
130.65080	0.8
133.06473	21.6
137.05963	25.9
139.03918	1.3
145.04924	2.3
145.06461	1.4
157.72423	0.8
163.07449	1.1
165.09099	100.0
166.09431	1.5
177.09047	2.2
183.10168	1.4
189.09044	2.1
205.08566	1.2
207.10036	1.5
210.10353	1.1
231.10088	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
54.08811	0.9
57.03423	3.5
57.07061	1.6
61.02915	2.3
62.35678	1.1
69.03432	12.6
69.72041	2.1
69.72453	4.3
71.04986	2.5
79.05472	3.2
81.03415	5.6
81.07017	1.5
85.02892	19.4
85.06528	1.2
87.04458	1.4
91.03906	2.0
91.05457	1.6
95.04926	1.6
97.02879	5.6
99.04446	4.5
103.05484	1.4
105.07014	19.5
107.04951	1.7
109.02880	1.7
109.06532	1.2
109.10104	1.2
117.05466	2.2
119.08506	1.0
121.02828	2.5
122.03603	1.0
123.04414	1.9
123.08071	1.0
127.03903	4.0
131.04941	1.8
131.08553	1.3
133.06476	21.2
137.05963	27.6
145.04955	5.7
151.03915	1.4
151.34428	1.0
165.09097	100.0
166.09451	3.3
167.07007	4.4
180.08681	1.3
181.08513	1.4
183.02902	1.1
192.10052	1.5
194.11748	1.5
200.12781	1.6
235.07529	1.5
243.44194	1.1
257.65039	1.1
274.65265	1.3
299.09256	1.1
317.13892	2.9
362.09183	2.3
362.15240	3.1
362.32669	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30212	0.5
54.30149	0.6
55.30020	0.6
56.96554	8.3
57.03433	1.3
59.22672	0.6
61.02911	1.8
61.29809	0.6
69.03419	4.3
69.92243	0.6
71.52642	0.9
74.97623	0.6
81.03401	1.6
81.29047	0.6
83.04939	0.7
84.96025	1.9
85.02895	7.5
87.04468	1.3
91.03929	0.6
91.05449	0.6
97.02885	4.0
98.97571	100.0
99.04433	0.7
99.97870	0.9
109.02868	1.2
110.97560	2.3
113.63710	0.6
116.98604	61.5
118.37260	0.7
119.01940	0.9
119.04908	0.7
127.03922	2.0
128.98586	3.8
131.01900	0.8
134.99641	21.4
137.05968	2.6
140.00208	2.2
143.00148	1.0
145.04930	1.2
146.99602	2.4
147.04420	2.3
153.00667	2.4
153.05513	0.6
158.01256	1.4
158.99634	44.3
161.01208	1.6
161.02943	0.7
163.33746	0.6
167.07007	2.1
170.99638	1.3
177.00693	75.9
178.01144	1.1
179.07031	0.9
189.00752	1.6
189.04227	0.7
195.01735	7.4
200.02287	3.9
201.00725	1.3
201.04329	1.3
201.12347	0.9
213.39638	0.6
217.05516	0.8
219.01744	40.4
220.02037	0.8
221.05093	0.9
232.05902	0.6
237.02792	8.5
243.05348	2.8
256.02838	0.7
261.02927	0.6
273.08078	2.2
273.58163	0.9
285.06702	0.8
295.04993	0.8
303.07419	16.0
321.08514	19.7
348.06662	1.6
363.09494	5.3
363.12744	3.7
363.16754	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.74819	1.1
56.96558	6.7
57.03411	2.4
59.04987	1.2
61.02899	1.3
67.28286	1.1
68.07808	1.1
69.03423	6.5
69.80606	5.3
71.04967	1.8
73.02871	1.6
81.03399	1.2
83.06123	1.2
85.02880	9.1
90.05521	1.4
91.05454	2.0
94.45303	1.1
97.02863	5.0
98.97567	17.6
99.04408	1.4
109.02867	2.3
116.98624	13.9
119.01828	1.6
119.04929	1.7
123.04389	1.6
127.03920	3.0
128.98589	2.8
134.99641	7.0
145.04921	1.4
146.99619	2.8
147.04416	1.9
158.99663	4.8
161.01204	1.8
161.02960	1.7
163.03851	2.3
164.67203	1.2
167.07062	2.3
177.00711	7.0
189.00705	2.0
195.01630	1.5
201.04329	4.7
201.12349	1.6
202.10719	1.4
212.06125	1.9
215.05272	1.1
219.01746	6.3
232.57269	1.1
237.02759	9.7
243.05325	3.1
247.07841	2.0
261.22675	1.4
275.75662	1.3
303.07474	1.9
321.08572	5.2
328.10748	1.3
363.12579	100.0
364.13086	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.8
69.03410	1.1
70.55270	2.7
72.04471	0.8
72.52817	0.7
73.02891	0.9
78.04704	2.7
79.05497	1.9
81.03412	1.5
83.04958	0.8
85.02914	2.0
86.53922	0.8
87.07454	0.8
90.05564	1.1
91.05467	2.6
93.07053	1.0
95.04951	2.1
97.02888	3.8
106.04149	1.3
107.04964	1.4
109.02850	1.2
109.30227	0.7
119.04932	0.8
121.02874	0.8
121.06484	1.4
123.04414	8.4
124.05205	2.5
127.03917	1.2
131.04906	1.2
134.03606	1.1
135.04480	1.1
137.05968	1.5
145.02866	1.1
147.04431	1.6
148.07567	0.9
150.28931	0.8
151.03883	2.4
152.04651	2.3
163.03857	1.1
165.06963	0.8
167.07019	100.0
168.07384	1.7
177.05490	2.3
181.06523	1.2
181.08620	0.8
184.09642	0.9
188.03740	19.0
191.07042	2.7
193.08559	1.2
199.07629	1.1
201.09315	0.9
202.05374	3.0
202.10721	2.0
213.09135	0.9
225.05539	1.0
234.11250	2.0
241.08572	1.3
254.40996	0.9
273.11111	1.2
291.18323	0.8
292.54892	1.0
299.09311	0.9
301.10748	1.5
313.10693	3.6
314.06952	3.6
318.10992	7.4
333.13290	2.1
345.13461	1.7
363.08762	1.1
365.34387	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
53.81540	0.8
55.01857	2.4
55.05500	4.1
57.03420	0.9
57.07069	1.2
61.01128	2.0
67.05515	4.7
69.03413	3.0
69.03768	0.8
69.07057	5.5
69.80020	1.6
69.80431	3.2
70.24731	0.8
71.08597	2.5
73.02899	1.1
73.79128	0.8
79.05482	12.0
81.03406	2.2
81.07048	100.0
82.07366	2.3
83.04968	3.8
83.08629	1.3
85.02892	1.3
85.06525	1.0
89.00610	2.2
90.05507	1.7
91.05477	5.1
93.07025	6.2
95.04959	3.5
95.08598	11.0
95.60918	0.7
97.02859	1.1
97.06509	2.3
97.10136	0.9
99.04449	4.0
99.08082	60.8
100.08399	1.0
105.07020	13.1
107.04919	1.7
107.08590	8.9
109.06503	9.6
109.10140	3.5
111.04390	2.4
111.08050	1.8
113.05968	0.8
117.06978	1.5
119.04926	1.3
119.08565	11.6
120.99514	1.2
121.06499	2.9
121.10135	7.2
123.04427	7.5
123.08057	5.4
123.11657	1.7
125.05989	2.0
125.09627	1.4
127.03819	1.1
127.07571	5.2
129.06960	1.4
131.08542	3.6
133.06461	2.5
133.10127	5.2
135.08017	4.9
135.11671	3.0
137.05969	5.7
137.09593	3.0
137.13239	3.3
139.07526	1.4
143.08589	1.4
145.10115	2.4
147.08026	4.6
147.11661	12.3
149.09592	2.6
151.07552	8.9
152.08304	0.9
156.09302	1.2
157.10175	1.0
159.11682	1.0
161.09613	2.0
161.13240	6.2
163.11192	2.9
165.09111	2.7
165.12741	6.0
167.07016	1.4
171.11667	2.9
174.10294	1.0
175.07567	0.7
175.11165	2.6
179.10658	16.2
179.14275	6.6
180.10986	0.9
181.12079	1.0
189.12746	15.7
190.13486	2.8
191.14354	1.1
193.12267	2.9
193.76099	0.9
202.10780	1.9
207.13782	26.0
208.14565	6.1
220.11748	0.9
225.14725	1.4
239.11089	0.7
244.49669	1.0
345.13693	1.7
346.60596	0.8
363.14615	3.9
364.15826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	7.8
69.07072	2.7
70.06586	63.3
71.05018	3.3
71.21584	4.2
71.21916	2.6
72.08157	11.8
73.02883	6.0
81.03411	9.6
85.02898	19.8
90.05547	6.1
91.05480	3.2
97.02892	9.7
97.84982	2.3
105.66164	2.3
107.04942	15.8
109.02890	7.0
109.06504	3.4
112.07596	61.7
115.56064	2.5
118.16270	2.3
121.06520	7.0
127.03927	7.4
135.04390	17.0
140.07047	30.7
145.04962	3.4
152.03508	2.3
152.04675	9.0
158.08159	8.8
167.07021	100.0
168.07440	5.8
184.09737	3.8
185.08089	39.4
202.10786	13.1
203.05156	3.1
234.09695	2.5
257.26651	2.8
284.11191	5.5
364.16422	3.1
365.10483	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	365.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83118	0.7
69.96360	3.3
98.20819	1.4
101.00873	1.3
111.97127	0.7
113.24155	0.8
119.01869	5.3
131.01930	3.2
137.01945	1.3
143.01855	4.2
145.03474	2.5
147.78580	0.8
155.01945	2.6
157.03514	1.3
161.02936	3.9
167.01968	1.3
171.05058	0.9
172.55608	1.0
173.03011	3.7
185.02910	4.7
185.04268	25.4
188.96954	0.9
197.02989	2.0
203.05270	58.2
215.04048	1.9
227.04097	1.0
245.05043	9.8
263.06247	2.3
288.29425	0.8
365.10638	100.0
366.11008	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15588	0.6
61.10758	0.6
69.66807	3.9
69.67120	0.8
81.65376	0.5
83.06403	0.5
83.12508	0.6
91.77887	0.6
101.00877	2.3
119.01916	4.0
119.19732	0.5
131.01900	3.7
137.01883	0.8
143.01889	3.6
143.02972	0.5
145.03445	2.2
155.01888	1.7
157.03462	1.4
161.02957	4.9
167.01785	0.7
173.02936	5.3
181.07382	0.7
185.02888	3.9
185.04254	25.3
187.04549	1.0
197.02965	2.4
203.05272	61.6
215.04031	1.0
221.06435	0.8
224.04631	0.9
227.04100	0.8
245.05058	8.7
263.06122	2.5
329.10712	0.7
329.14441	0.6
365.10565	100.0
366.10941	2.6
366.85147	0.6
388.61948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	17.6
57.03432	1.7
61.02905	2.4
67.39520	1.1
69.03409	6.1
71.04979	1.9
71.52647	1.3
73.02916	2.0
77.00873	1.3
81.03407	2.3
83.04980	1.2
84.96003	3.0
85.02900	8.4
85.06551	1.9
85.07686	1.3
86.51924	1.0
89.03883	1.2
90.01692	1.0
91.05492	1.2
97.02866	5.0
98.97575	30.4
101.00854	5.9
103.02428	2.0
107.04994	1.2
108.37728	1.1
109.02866	2.3
110.97556	5.0
113.00847	3.1
115.02412	2.8
116.98598	18.6
117.05515	1.7
119.01922	19.8
119.04963	1.3
121.03506	1.4
123.04431	1.3
127.03896	3.8
128.98567	7.5
130.06490	2.3
131.00179	2.7
131.01891	19.0
131.05553	2.6
133.03468	7.7
134.99689	8.3
135.05069	2.0
137.01807	1.2
137.02945	3.1
137.05969	2.1
139.03893	1.5
142.96559	1.7
143.00175	2.9
143.01874	3.6
143.05545	2.4
145.03441	11.3
146.99632	7.2
147.01399	1.6
147.04306	2.5
149.01187	3.5
149.02896	2.7
149.06670	6.2
151.04524	1.8
152.06972	1.4
154.03485	1.2
155.01860	9.8
157.03458	6.1
158.99670	4.6
159.04980	3.1
160.97511	2.2
161.01271	5.5
161.02969	6.6
161.06598	26.0
162.06754	1.4
162.99120	1.6
163.02684	2.4
163.04019	4.6
165.00728	3.0
167.02097	1.7
167.05507	1.9
169.06934	1.9
170.99583	2.9
171.04991	2.3
173.01369	2.5
173.02959	17.2
173.06601	6.8
174.99144	2.3
175.02699	2.1
175.04492	1.7
175.08267	1.3
177.00720	10.0
177.04120	1.5
179.02220	2.3
179.07646	17.8
184.05986	1.2
185.01393	1.7
185.02879	6.9
185.06566	11.6
187.00880	1.5
187.02628	1.6
187.08136	2.9
188.97006	3.5
189.00667	5.3
189.06065	3.8
191.02226	3.4
191.03981	1.9
191.07625	1.6
193.00229	1.5
196.02269	2.4
197.03009	2.5
197.06581	6.5
199.08167	4.3
201.00668	2.6
201.06236	1.4
202.98598	2.3
203.02248	2.4
203.03745	3.0
203.05556	3.1
203.07626	37.8
205.03767	2.1
205.09106	1.6
206.98030	3.2
207.01753	2.2
209.03064	1.3
209.06500	1.4
215.07626	36.9
216.07794	3.3
217.09268	5.7
219.01752	7.5
220.99570	1.7
221.03140	2.1
221.05040	18.3
221.06961	1.8
222.05240	2.0
227.07620	3.7
229.09073	1.2
230.98061	2.9
235.00906	2.1
237.02779	14.1
239.04231	1.9
239.07666	12.9
245.03024	2.2
245.05260	7.7
245.08739	4.5
247.06725	1.5
248.99316	1.3
252.05704	1.4
255.03877	2.9
257.08780	2.3
261.08200	1.7
263.00668	4.4
263.06351	1.8
265.05960	3.8
267.09131	1.4
269.08813	1.6
271.09897	1.5
275.04245	1.6
275.09903	6.2
281.05350	1.8
287.09631	5.0
293.05396	2.4
293.10959	1.8
305.10788	100.0
306.11017	7.1
323.06329	2.9
323.11902	27.7
324.12234	1.8
365.12796	10.2
372.95447	1.2
389.00189	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2682
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
50.41326	0.3
55.05520	1.3
55.05725	0.2
57.07070	2.1
59.28940	0.3
67.05485	1.2
69.07081	1.3
79.05470	0.9
81.06619	0.3
81.07024	1.5
82.64940	0.2
83.04961	0.4
83.08611	0.5
85.06049	0.3
85.06513	1.1
91.05440	0.7
93.07038	1.0
95.04973	0.4
95.08575	1.0
97.06512	0.4
97.10152	0.5
105.07016	0.6
107.08571	1.5
109.06506	1.2
109.10149	0.8
112.16960	0.3
114.03539	0.3
119.08533	0.6
121.06454	0.3
121.10122	0.3
123.08037	3.0
123.11672	0.4
124.08845	1.7
125.05952	0.4
128.06169	0.3
131.08530	0.4
133.10107	0.5
135.08038	0.7
137.05948	0.9
137.09602	0.6
139.07489	0.5
143.08553	0.4
145.10086	0.5
147.11700	0.5
149.05943	0.3
149.13318	0.3
151.07523	5.0
151.11093	0.5
152.08305	7.0
161.09639	0.5
165.09097	9.2
166.09792	0.8
175.11150	0.4
177.09087	0.5
177.12685	0.5
179.10631	2.1
181.12219	0.6
194.13013	4.0
203.05281	0.3
203.10571	0.3
204.05003	0.3
207.13840	1.3
235.16931	0.8
249.18430	0.9
263.20053	1.9
277.21817	0.4
319.26337	1.4
337.14426	0.4
347.25778	17.6
348.26260	0.8
365.26831	100.0
366.27173	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	365.2683
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
51.30694	0.4
55.01862	0.4
55.05504	1.9
57.07055	1.4
67.05495	2.0
69.07061	3.1
71.08611	0.7
79.05467	1.4
80.61142	0.4
80.67953	0.4
81.07048	3.5
83.04952	0.9
83.08584	1.2
85.06535	1.1
91.05451	1.0
93.07027	2.7
95.04906	0.7
95.08588	1.6
97.06494	1.0
98.21494	1.4
99.08093	0.6
105.07018	1.1
107.08595	2.4
109.06535	2.2
109.10139	1.2
111.04417	1.2
111.08040	0.9
111.78564	0.4
117.07027	0.6
119.08559	1.1
121.10101	0.9
123.08044	5.7
124.08822	0.7
125.05949	0.9
131.08530	0.4
133.10127	1.1
135.08018	1.6
135.11673	1.1
137.05925	1.4
137.09619	0.6
139.07509	0.8
145.10075	1.1
147.08005	0.5
147.11633	0.9
151.07506	4.2
152.08324	3.6
159.19606	0.4
161.09589	0.5
165.09091	14.8
165.12766	0.9
166.09697	1.1
167.14243	0.5
175.11180	0.6
177.09064	0.9
177.12706	0.5
179.10649	2.5
179.14339	0.6
181.12381	0.4
189.16292	0.4
193.12260	1.0
195.13748	0.6
208.14594	1.6
219.13744	0.9
221.15358	3.0
221.18945	0.5
229.66034	0.4
249.18552	1.3
305.24713	5.4
319.26282	4.8
347.25757	48.2
348.26062	2.7
365.26816	100.0
366.27124	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	366.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23838	0.4
53.03930	1.0
55.01846	1.5
57.03437	3.1
59.04963	0.4
60.04501	0.7
61.02917	2.0
65.03942	0.4
67.05489	0.4
69.03421	10.2
69.92749	2.1
70.06583	0.5
71.01328	1.3
71.04985	3.0
73.02892	1.2
79.05474	0.9
81.03401	1.5
85.02890	0.4
86.09673	0.4
89.03858	0.4
91.05464	4.8
93.07015	0.4
95.04968	0.6
97.02794	0.5
98.21420	0.4
98.97560	0.6
99.04440	2.3
105.05765	0.3
106.06537	2.8
111.08115	0.4
116.04926	2.8
116.98569	0.5
117.05508	0.8
118.05260	3.2
118.06557	0.7
120.08071	0.4
123.04404	1.3
124.07626	0.5
125.09551	0.4
130.06525	0.5
131.06041	1.9
131.06894	0.4
132.06836	0.5
133.07590	10.6
134.05946	0.7
139.03888	1.8
143.05994	1.8
144.04414	0.4
144.06836	0.6
145.07587	12.4
145.16148	0.3
146.08319	0.8
147.09166	1.2
148.06271	0.8
151.11201	0.5
157.07599	1.9
158.04733	0.6
158.08345	0.5
159.09103	0.9
161.07069	3.0
163.08644	14.4
169.12157	0.5
170.08391	0.4
171.05482	1.5
171.09132	1.2
173.07071	1.5
173.10742	0.5
175.08617	4.1
176.09389	1.0
177.06621	2.8
183.09129	0.7
185.10730	0.9
187.08484	0.3
189.06523	7.1
189.10182	0.8
191.08121	1.1
199.08557	0.4
200.09377	1.8
201.10176	2.2
202.10956	0.6
203.11761	0.6
205.09741	1.0
207.07620	100.0
208.08000	3.4
213.10199	1.1
214.06084	1.3
215.08118	1.3
215.11720	0.8
217.09702	0.8
219.11337	0.4
229.09744	1.0
230.10513	0.6
231.11252	1.3
232.07114	13.1
241.09782	0.6
243.11311	0.6
249.02921	0.6
249.08713	0.6
249.12288	1.0
261.12280	1.2
269.09213	0.9
275.10223	0.5
279.13361	6.8
280.13739	0.5
287.10214	1.0
291.03915	0.7
305.11374	2.8
323.12317	50.6
324.12564	2.2
348.11795	5.1
366.12903	54.9
367.13437	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	366.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.9
56.96546	11.9
57.03426	10.1
61.02926	11.3
61.61709	7.7
67.05510	12.9
69.03419	44.8
71.01319	8.0
71.51891	14.2
79.05487	14.0
81.03407	24.8
81.07024	11.8
85.02888	70.4
91.05467	20.0
95.04956	22.8
96.05742	8.3
97.02869	55.9
98.65894	7.3
98.97609	12.6
104.25751	8.2
105.07022	7.8
109.02879	11.5
110.37730	6.9
114.42915	6.9
116.98517	7.0
119.04897	11.4
120.08064	11.4
121.02817	9.6
123.04411	100.0
127.03906	28.0
133.02838	8.1
137.05946	76.5
139.03893	13.3
141.05470	10.5
145.04918	11.2
146.06050	16.7
147.04401	11.2
151.03842	13.6
152.04630	37.8
153.05507	38.2
154.06166	13.2
163.03926	7.5
165.05481	8.2
169.04959	19.1
169.12216	7.4
177.05342	8.2
186.05835	29.1
204.06898	25.8
216.04671	17.7
216.54807	20.6
219.01895	8.1
222.97018	18.9
237.02727	20.7
366.10895	15.0
367.08755	10.6
380.02139	21.4
381.02853	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	366.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	13.4
59.04976	5.8
62.56207	3.9
69.03428	6.4
71.04976	5.1
71.36683	7.3
81.03408	7.0
81.07031	23.6
83.04990	5.2
85.02887	25.6
86.09740	4.7
89.47157	4.3
91.05418	7.3
93.07044	24.4
95.08582	4.1
105.07012	14.4
107.08585	99.2
109.06505	9.6
109.10133	15.2
111.08061	6.9
123.11681	49.8
127.03903	9.6
133.10132	47.6
144.54453	4.0
151.11165	100.0
169.08517	6.3
169.12241	16.2
207.07637	13.8
323.12241	8.8
366.12924	13.8
367.13547	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03763	0.1
52.65878	0.1
70.18084	0.3
70.18480	0.4
81.36274	0.1
82.99885	0.3
97.90034	0.1
101.00187	0.1
101.00850	0.7
116.98554	0.2
119.01910	5.7
120.02036	0.2
134.99776	0.6
137.02936	3.3
140.98755	0.3
153.00945	0.7
158.99892	0.4
160.04593	0.2
165.99707	0.4
177.00935	16.1
178.01056	1.1
179.00716	0.2
182.99905	0.3
193.04068	0.4
195.01961	0.3
200.02545	0.4
201.00880	0.8
201.23976	0.1
217.04079	2.8
218.03802	0.2
219.01984	21.9
220.02133	1.7
221.01920	0.4
225.00818	2.3
231.01955	0.1
233.03746	0.1
234.99966	0.4
236.00072	0.4
236.99878	0.4
242.03523	0.8
243.01945	5.5
244.02069	0.2
255.00940	0.2
259.00031	0.7
260.00092	0.7
260.04553	0.3
261.03033	100.0
262.00064	0.4
262.03146	7.2
262.99649	0.1
263.03320	0.7
266.03543	0.4
275.04510	0.2
277.01007	1.3
278.01181	1.3
279.00897	0.8
280.01038	0.3
282.99878	1.2
284.00104	1.9
284.04645	5.2
284.99823	0.9
285.04846	0.5
301.00992	2.5
302.01147	4.2
303.00815	1.9
304.00952	0.3
307.06168	0.3
319.01883	0.3
320.02042	0.3
325.01068	0.4
326.01166	0.4
342.02017	0.3
343.02014	1.2
344.02127	2.5
345.01721	0.3
360.99561	0.2
361.03528	0.3
362.03424	0.9
363.02612	0.2
367.01929	1.1
385.03091	4.2
386.03214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44957	1.3
55.01859	6.2
57.03423	4.4
67.05499	1.6
69.03422	4.8
71.04960	1.8
71.52413	1.5
75.79098	1.4
79.05476	2.7
81.03419	3.5
81.07043	2.8
83.04975	2.2
84.63264	1.4
85.02904	5.9
86.09721	1.2
89.06033	1.7
91.05465	5.1
93.07009	2.2
95.01322	27.4
95.04947	3.4
97.02872	3.6
98.97614	2.4
99.04454	2.0
103.05477	5.1
105.07030	12.1
107.04958	3.3
109.02882	1.7
111.04449	1.3
113.02362	14.9
115.05439	4.3
117.07007	5.4
118.04165	1.5
119.04940	1.9
121.06522	1.9
123.04406	7.6
128.06187	6.5
129.07002	4.2
130.04128	1.3
131.04893	9.7
132.05692	2.6
133.06500	10.7
134.03619	1.3
135.04422	1.3
137.06006	2.0
139.03831	2.3
139.05452	1.4
141.06998	3.9
143.04967	1.4
143.08554	3.2
144.05678	1.5
145.06445	9.5
146.03653	1.9
147.04385	5.0
147.08078	2.7
147.09135	10.8
148.05179	3.7
149.05984	2.2
151.03912	2.4
152.06155	2.4
153.06973	5.1
157.06458	5.3
159.04445	3.1
159.39809	1.3
160.05208	2.5
161.05972	16.0
162.03168	1.6
163.03931	2.3
165.05519	6.6
167.07011	18.6
169.06458	4.3
170.07246	1.7
171.04372	1.7
171.08026	10.2
172.05214	3.9
173.05936	8.5
175.03923	1.6
175.07509	3.4
176.04706	4.3
177.05370	6.6
178.06226	2.7
179.06979	2.4
181.05013	2.6
181.06497	5.7
183.06575	2.8
184.05168	3.4
185.05949	2.0
185.09137	1.2
187.07545	4.1
187.09305	1.6
189.05455	4.3
190.06195	2.5
191.06989	9.8
192.07759	3.7
193.05077	1.5
193.08563	19.9
194.05765	4.4
195.06529	3.6
196.05246	1.3
197.06010	2.2
198.06799	3.9
199.07516	13.9
201.05450	5.1
202.06105	1.5
203.07054	3.8
205.08649	5.1
205.10411	1.8
207.01141	1.6
207.06520	3.5
209.06158	1.9
209.08060	10.7
212.04532	2.3
213.05467	2.6
215.07152	2.4
216.07716	1.6
217.05107	1.6
217.08577	2.6
218.05722	2.6
219.06514	3.6
221.08093	3.1
223.06071	2.7
227.07040	13.1
231.06532	2.7
231.10164	5.4
233.08041	7.3
235.09720	1.8
237.07585	2.2
244.07310	3.7
245.04485	2.5
245.08144	6.4
247.09581	1.5
249.07590	2.9
251.09059	3.1
259.09616	5.8
261.07504	6.4
263.09204	1.8
277.10754	2.4
281.15009	16.1
287.09103	3.2
305.10089	9.6
307.08530	1.4
323.11215	100.0
324.11453	3.7
339.10876	4.8
349.09039	3.1
350.13553	3.2
367.10770	4.0
367.15939	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44133	0.5
52.64030	0.5
53.03927	0.5
54.49334	0.5
55.01858	1.9
55.05500	0.7
56.02895	0.6
57.03433	3.0
59.04996	10.1
65.03918	0.8
67.05482	0.6
69.03423	14.8
69.20609	0.5
70.06596	0.7
71.04974	0.6
71.52053	0.7
79.05485	1.0
81.03416	3.6
81.07043	1.8
83.04958	2.2
85.02897	37.8
87.04444	5.5
91.05473	15.9
93.07028	1.4
95.04947	1.1
95.08588	1.0
97.02892	1.2
103.03896	0.8
103.05467	3.8
105.07022	1.5
107.04954	0.8
107.08616	0.8
109.02916	0.8
109.06483	0.9
115.05450	0.9
117.06942	1.2
119.04932	19.7
119.08589	0.7
121.06487	2.0
121.10079	0.6
123.04419	7.2
123.11676	0.7
126.05453	0.6
128.06230	1.5
129.03316	0.6
129.06976	3.4
131.04918	5.7
131.08589	0.7
133.06425	0.7
133.10147	0.7
135.04404	0.9
137.05965	8.4
139.03870	1.5
143.04909	0.6
143.08546	1.9
145.06473	1.5
146.05991	0.9
147.04391	46.9
147.09082	1.0
148.04781	1.1
149.05971	10.0
151.07547	1.2
152.07053	1.4
153.05513	1.1
153.06964	1.4
157.06441	3.5
159.04465	0.6
159.06584	1.1
159.07951	0.7
160.05200	0.9
161.06038	3.0
163.03905	2.3
163.07544	1.5
165.05463	100.0
166.05791	1.7
167.07054	2.2
171.06544	11.2
171.08017	1.9
173.05968	2.8
175.07526	5.7
177.05447	2.2
177.09132	0.6
179.07021	1.4
181.04947	1.6
181.06410	1.0
185.05934	1.1
187.07596	1.4
189.05508	1.8
189.07559	11.8
189.09109	1.1
191.07043	1.9
193.05016	0.6
193.08624	0.9
195.06485	3.3
199.07541	2.6
201.05496	1.3
201.09201	0.6
203.06941	6.8
205.08629	1.3
207.06477	1.2
215.07027	0.8
217.08563	4.9
221.08083	6.6
227.06964	1.6
233.08070	2.5
235.09697	1.1
245.08076	12.2
263.09085	7.7
281.10223	1.5
337.12531	0.9
349.13315	2.5
367.13968	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	367.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.4
67.05480	1.1
69.07069	1.1
74.11352	1.0
78.84368	0.9
79.05476	2.7
81.07035	2.6
83.08641	0.9
86.75854	0.8
88.20728	0.8
91.05495	6.7
93.07007	1.9
95.04939	1.8
95.08632	1.4
103.05448	1.8
105.07021	2.0
107.04288	0.9
107.04975	2.6
107.08572	1.3
112.49906	0.9
115.05451	3.0
117.07011	3.0
119.04922	1.4
119.08600	1.7
121.05733	1.0
121.06476	5.2
124.46868	0.8
128.06238	6.9
129.07011	1.8
131.04915	3.4
131.08554	7.0
133.06479	2.3
133.10115	1.0
134.20282	0.9
137.05939	7.7
141.06921	1.2
143.08549	20.3
145.06451	2.6
145.10162	1.0
147.07985	1.2
149.05963	1.5
149.09631	1.8
151.07516	7.0
159.08093	4.2
161.05994	1.7
162.06758	2.1
163.07510	2.1
165.09117	2.5
171.04201	1.4
171.08035	19.8
172.08755	1.9
173.05994	2.5
173.09499	1.3
174.06740	2.6
175.07553	2.8
176.08322	2.8
177.09106	12.6
185.09665	1.0
186.06496	17.0
188.08292	7.8
189.09157	1.9
191.10667	14.2
201.09109	1.9
203.10652	48.2
204.11176	1.2
211.10992	0.9
219.07942	1.2
242.04611	1.1
243.13838	2.0
245.09613	1.4
273.08972	1.0
285.68369	1.0
291.10208	1.5
303.14035	1.0
323.12735	1.1
335.16333	2.7
338.15106	1.9
367.15121	100.0
367.19122	21.4
367.50235	1.0
368.15652	3.3
370.12515	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	367.19
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06124	0.5
55.01857	0.8
55.05503	1.1
66.04720	0.7
67.05499	1.6
69.07053	1.3
71.52918	1.2
79.05472	2.0
79.87928	0.6
80.06247	0.8
81.07043	1.8
83.08591	0.6
91.05471	5.9
93.07033	2.7
95.08589	1.4
103.05457	2.0
105.06985	1.4
107.04943	7.1
107.08560	1.3
108.05709	2.9
109.06480	1.2
109.10142	1.7
115.05453	2.3
116.06150	0.9
117.06985	2.5
118.04189	0.7
119.04926	0.9
119.08567	1.1
121.06487	5.0
121.10131	0.9
128.01129	0.5
128.06227	1.6
129.07010	1.5
131.04898	5.3
131.08542	0.7
132.05699	1.7
133.06503	1.6
133.10071	0.7
134.07306	1.2
135.04413	2.1
135.07944	0.7
135.11696	0.6
136.05177	6.3
137.05943	1.0
137.41862	0.6
138.06755	0.8
142.07845	0.7
143.04916	1.7
143.08543	1.0
144.05714	0.9
145.06491	3.2
145.10007	0.9
146.07254	12.3
147.08022	1.6
147.11607	0.8
149.05902	0.9
149.09503	0.6
150.06721	2.3
151.07526	100.0
152.07860	1.4
155.06070	0.7
156.05632	0.6
157.06493	1.3
158.07242	8.6
159.04388	4.1
159.08080	1.6
160.08844	1.5
162.06749	2.3
163.07494	4.0
164.08284	1.2
165.09097	11.5
167.08511	0.8
169.67696	0.6
171.08000	1.6
172.08838	3.8
173.05963	2.8
174.06752	17.1
175.07507	4.7
175.11243	0.7
177.09091	29.9
179.10629	5.1
179.14250	0.7
183.08026	2.2
184.08865	0.7
186.10341	0.7
188.08308	6.5
189.09085	31.4
190.09399	1.2
191.10678	4.2
197.09647	1.2
198.10381	6.1
199.07556	2.5
201.09055	0.8
203.10638	19.5
214.09853	4.9
215.10678	1.6
229.12210	15.3
243.13710	1.4
251.10663	0.7
261.08914	0.8
263.10736	0.8
264.11435	1.6
276.11441	1.2
287.12741	3.2
292.10736	0.8
294.12244	0.7
298.11877	0.7
307.13251	2.0
311.12662	0.8
321.14822	1.8
323.12842	4.4
324.13519	0.7
336.17157	2.2
338.15079	5.1
339.15924	1.6
349.27219	0.7
352.16589	0.7
354.84409	0.7
367.19028	18.9
367.26059	0.9
368.19370	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.2
55.05500	20.0
57.03417	3.5
57.07067	10.1
59.05001	4.1
65.03926	5.1
67.05499	43.6
69.03435	6.4
69.07066	30.7
70.09025	12.4
71.04973	4.1
79.05493	39.2
81.07049	58.8
83.04968	7.1
83.08620	12.4
85.06532	7.5
91.05472	51.4
93.07036	88.8
94.07373	4.1
95.04949	39.1
95.08595	60.8
97.06516	14.3
103.05479	6.0
105.07025	80.6
107.08585	70.6
109.06503	13.3
109.10155	45.8
115.05444	6.4
117.07009	21.6
119.08574	100.0
121.06511	13.2
121.10131	53.1
123.08094	7.9
123.11680	19.4
128.06223	12.4
129.07042	16.0
130.07784	10.3
131.08556	62.9
133.10120	70.7
135.08047	19.3
135.11682	24.7
137.05975	4.4
137.09601	7.5
141.06952	8.1
142.07742	21.2
143.08537	43.6
144.09293	14.9
145.06453	6.7
145.10115	74.4
146.07280	8.1
146.10912	4.2
147.08034	11.1
147.11670	27.6
149.09610	14.6
149.13213	6.5
151.07521	34.1
155.08546	12.5
156.09393	15.2
157.10118	47.7
158.10919	6.3
159.08080	9.9
159.11676	41.3
161.09583	41.8
161.13252	12.2
163.11147	4.9
163.14821	4.6
165.07008	4.0
167.08618	5.3
168.09389	6.7
168.15913	3.3
169.10112	20.3
170.10898	5.9
171.11664	32.5
172.12482	3.7
173.09669	9.6
173.13235	22.5
175.07513	3.2
175.11194	10.1
175.14819	21.4
177.09099	4.3
179.08575	8.7
181.10086	12.5
182.10855	6.3
183.11627	24.3
185.09634	7.8
185.13235	19.2
186.10371	3.7
187.11130	4.7
187.14746	17.6
191.10677	5.7
194.10931	10.7
195.11710	13.9
196.12498	6.1
197.13278	14.5
199.11290	3.5
199.14809	14.4
201.09164	8.5
201.12781	5.1
201.16376	8.9
203.10699	10.0
203.14241	3.9
207.11700	4.8
209.13220	19.8
211.14836	10.0
213.12660	5.9
213.16489	5.0
215.10629	8.9
215.14449	4.1
217.12289	9.2
223.14742	6.7
225.12837	3.5
225.16423	5.9
227.10728	5.9
227.14316	19.9
229.19373	4.1
239.17894	8.8
241.12276	3.9
243.13826	4.7
251.18011	3.8
253.19524	3.5
255.13869	5.1
255.17313	7.5
257.18848	3.9
267.17551	3.7
292.21698	3.5
308.41583	4.1
327.38263	4.3
349.25143	10.1
367.15378	3.8
367.22250	5.4
367.26315	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2842
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
50.00505	2.7
55.05513	16.1
55.89462	2.6
57.07076	6.0
57.16056	2.2
67.05505	18.2
69.07067	21.6
71.04992	4.6
71.08629	13.9
71.52767	2.6
79.05487	14.5
81.07043	32.1
83.04977	3.2
83.08598	11.9
85.06504	2.3
91.05474	6.9
93.07036	13.5
95.04922	4.7
95.08605	29.5
97.06519	4.7
97.10164	2.8
99.08083	16.8
102.45420	2.5
105.07020	12.7
107.08582	16.7
109.06514	4.6
109.10148	11.3
111.04439	2.7
111.08111	4.2
119.08594	11.2
121.10110	11.6
123.08064	28.4
123.11706	3.7
125.05957	3.2
125.09557	3.3
127.36073	2.6
131.08527	6.3
133.10118	11.3
135.08060	8.1
135.11670	6.4
137.09602	5.3
145.06494	2.4
145.10124	7.0
147.11627	5.1
149.09660	2.7
149.13293	4.4
151.07568	7.6
153.12735	7.0
159.11681	5.0
161.13235	3.2
163.11250	3.2
163.14804	4.4
165.05426	3.6
165.09067	3.8
165.12817	2.7
173.13301	3.9
175.14871	3.6
179.14291	39.6
188.43117	2.3
189.16344	4.8
191.14426	2.3
201.09007	3.5
215.10672	3.0
243.14066	2.5
251.20038	9.8
293.21146	13.8
293.28326	4.4
296.13583	3.1
303.26733	15.5
321.27780	6.2
331.26285	43.5
349.27353	100.0
350.27820	4.6
367.21072	10.2
367.28406	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	368.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23738	2.9
53.03932	4.8
54.83700	2.9
55.01855	3.5
55.05494	7.0
57.05603	3.3
59.04984	7.9
59.15732	2.8
61.02927	4.2
61.43961	3.1
65.03928	4.3
67.05494	7.3
67.61320	2.9
69.03422	28.9
69.07065	8.8
70.46964	9.0
71.04984	14.6
72.67462	2.7
73.02913	3.5
73.06542	3.3
75.33455	3.1
78.66603	2.9
79.05505	7.6
81.03413	21.1
81.07049	15.6
83.04951	5.7
83.08607	8.2
85.02898	47.0
85.06537	6.1
87.04459	4.8
89.03915	5.2
91.05479	37.1
93.07027	15.7
95.04974	4.1
95.08578	6.5
97.02882	12.4
99.04440	8.3
103.05429	3.6
105.07027	6.4
107.08572	15.8
109.02888	8.5
109.10124	9.5
117.03367	22.9
117.07001	4.3
117.63708	3.0
119.04942	37.3
119.08569	10.6
121.06502	6.5
121.10127	3.9
123.04430	3.6
123.11716	21.9
125.05923	4.4
127.03910	8.6
131.04973	3.4
131.08548	5.0
134.03596	3.6
135.11653	18.0
136.07550	7.6
137.05916	4.8
139.03889	4.5
145.02841	55.4
145.06526	3.4
147.04402	31.8
147.08105	4.5
147.09204	6.5
147.11685	7.5
148.04730	5.1
149.05959	11.5
149.09662	4.2
151.07501	4.6
153.12740	75.7
163.03929	6.1
165.05455	10.9
166.05830	12.1
167.07010	7.6
175.03894	48.4
175.07542	3.1
177.05453	100.0
188.07045	5.3
189.12735	6.5
205.09738	4.5
207.06519	75.5
207.13739	18.8
225.15065	2.9
351.10696	14.4
351.17950	9.8
368.21027	3.8
369.15250	8.7
369.19333	5.4
384.18991	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1176
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03940	7.6
55.01862	3.0
55.05500	3.2
57.03420	5.5
57.07047	2.5
59.04983	2.0
61.02909	1.6
63.02367	1.4
65.03918	1.4
67.05501	6.9
69.03426	44.0
69.07053	2.2
69.46895	2.5
69.47305	9.2
71.01338	2.1
71.04984	6.3
73.02906	6.1
75.90053	1.4
79.05474	4.8
81.03413	29.5
81.07053	15.7
83.01295	1.6
83.04974	4.4
85.02901	73.9
87.04449	3.6
89.03917	7.0
91.05476	35.5
93.07034	4.6
95.04946	4.9
95.08591	9.5
97.02889	18.8
97.06486	1.5
98.20715	2.1
99.04448	12.5
100.51453	1.2
103.05446	3.2
105.07023	11.7
106.02889	1.7
107.04929	3.3
107.08564	5.4
109.02859	12.1
109.06508	6.3
109.10144	19.5
111.04451	4.2
115.05386	1.3
117.03367	18.0
117.06999	2.1
119.04092	2.4
119.04932	36.0
119.08578	15.8
121.06470	5.8
121.10125	9.3
123.04375	2.3
123.08061	5.4
123.11693	51.4
124.03935	3.0
125.05981	15.4
127.03902	16.0
129.03349	1.7
131.08533	4.7
133.02785	2.3
133.06502	2.7
133.10077	3.9
134.03603	1.9
135.04381	2.9
135.08011	2.6
137.05969	4.0
137.09500	1.5
139.03897	1.6
139.07523	3.6
141.05446	1.3
144.09322	1.3
145.02832	39.1
145.04932	5.1
145.06436	1.8
145.10118	6.3
147.04390	33.7
147.08018	5.2
147.11678	16.9
149.05989	7.0
149.09608	7.7
151.07521	11.6
151.11186	2.5
153.05402	1.3
155.06981	1.7
156.09267	2.5
157.03960	2.6
159.07973	2.8
161.05965	1.5
161.09599	2.9
163.03922	2.4
163.07465	2.5
163.11121	1.8
165.05450	1.7
165.12756	1.4
167.03412	2.6
167.07033	7.0
171.11620	3.4
173.09406	1.7
174.10344	2.3
175.03900	51.6
175.07417	1.6
177.05457	72.4
178.05768	1.5
179.07042	2.6
184.05228	1.4
187.07559	1.6
189.12715	19.5
191.14362	2.9
192.04105	2.4
194.09317	6.0
207.06519	100.0
207.13786	55.7
207.15396	0.9
225.07568	1.6
225.14865	8.5
269.10263	3.2
304.93460	1.2
333.16946	8.9
351.10901	16.6
351.17975	28.2
369.11362	2.3
369.15070	22.6
369.19061	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1179
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03926	2.3
53.65958	0.6
55.01863	1.0
55.05492	1.0
57.03416	1.4
65.03933	1.8
67.05492	0.9
68.99770	0.9
69.03422	10.2
70.09676	2.1
70.10089	1.4
71.04984	1.2
73.02916	1.1
77.03923	1.4
79.05460	0.8
81.03409	16.1
81.07041	1.2
85.02907	5.0
91.05475	28.4
94.45218	0.6
95.04980	0.8
97.02892	1.4
97.06438	0.7
99.04452	2.0
103.05450	1.1
105.07015	1.2
107.04941	0.7
107.08579	0.7
109.02884	5.9
111.00776	0.7
111.04456	1.9
116.11078	0.7
119.04928	40.8
120.05233	0.7
123.04379	3.5
127.03882	3.1
131.04936	1.5
132.02023	2.1
137.05960	1.6
139.02803	1.2
139.03888	27.8
147.04391	36.2
148.04829	0.9
149.02345	1.2
149.06018	1.4
151.03870	1.3
151.07544	1.3
157.03957	3.1
161.05974	3.1
163.03862	6.3
164.04671	1.2
167.07074	0.9
173.06046	1.4
175.03896	53.9
176.04317	1.5
179.03381	1.7
179.06996	2.9
187.07466	1.0
189.09055	2.2
191.10609	2.5
192.04150	3.0
197.09683	1.2
201.09024	2.2
207.06508	100.0
208.06862	1.9
215.10703	1.8
219.08153	1.0
219.10133	3.0
225.07527	2.0
231.10138	1.5
234.06737	0.9
243.10092	2.0
279.06439	1.1
283.09692	0.8
295.05893	3.3
313.06967	4.4
315.08646	1.1
337.10791	1.7
351.10684	18.0
369.12903	6.1
382.62680	0.7
388.51059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.118
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03931	1.8
55.01878	0.9
55.05492	0.9
57.03426	1.8
61.54188	0.6
65.03934	1.8
67.05482	1.7
69.03425	8.0
69.07043	1.9
70.56343	1.5
70.56736	1.6
71.04974	1.6
73.02907	0.9
74.41631	0.6
77.03956	1.0
79.05466	2.2
81.03416	15.8
81.07041	2.0
85.02907	5.8
85.54439	0.7
91.04904	1.4
91.05478	28.0
93.07045	1.8
95.04977	1.2
95.08614	1.3
97.02869	1.7
97.06525	13.1
99.04449	3.1
103.05470	1.2
105.07018	3.4
107.04935	1.3
107.08586	1.2
109.02885	6.2
109.06498	0.8
109.10138	0.9
116.76245	0.7
119.04936	36.5
119.08603	0.9
121.02882	1.0
121.06467	1.1
121.10120	1.2
123.04436	6.5
127.03867	1.8
129.03323	1.0
131.04965	0.7
131.08562	0.7
132.02023	1.2
133.06429	1.1
133.10133	2.3
135.04414	1.1
135.11775	0.8
137.05984	3.5
139.03847	1.2
143.08485	0.8
147.04407	32.3
149.02339	1.8
151.03874	0.9
151.07555	1.1
157.03941	3.5
161.09595	3.8
161.13332	0.7
163.03906	8.9
164.04681	1.2
165.05333	0.9
165.09094	1.2
167.07057	0.9
175.03908	58.4
176.04301	1.3
179.07019	2.8
179.10695	1.3
182.90868	0.7
187.07494	0.7
191.06880	0.7
191.08501	0.8
192.04211	2.5
207.06517	100.0
208.06839	2.8
212.74820	0.7
217.04985	0.7
219.10121	9.8
225.07529	2.2
231.08049	0.9
234.06676	0.7
247.07489	0.9
251.07109	0.9
251.10486	0.8
276.07828	0.9
277.08664	1.1
277.18002	0.8
279.06662	1.4
279.09946	1.6
281.11563	1.5
282.33099	0.7
283.05957	1.7
295.09650	0.9
297.11176	1.1
309.11252	1.5
311.12616	0.7
312.13501	1.6
315.08578	1.0
320.87369	0.7
325.10785	1.2
326.11700	0.9
326.15067	0.9
337.10803	1.9
341.13879	1.4
351.10733	14.8
369.13339	11.1
369.27509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1176
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.02376	0.7
53.03939	3.4
55.01852	1.1
55.05503	0.6
57.03423	1.6
65.03909	2.0
67.05478	0.5
69.03422	9.9
69.61140	2.5
71.01329	0.5
71.04976	1.8
73.02904	0.9
77.03912	0.8
79.05461	0.5
81.03408	24.3
81.07043	0.5
84.44296	0.4
85.02895	8.1
89.03898	0.8
91.05470	32.3
93.07026	1.0
95.04935	0.8
97.02883	2.2
99.04436	2.3
103.05448	0.7
105.07011	0.8
105.95674	0.4
107.04932	0.6
107.08519	0.5
109.02872	7.6
111.04401	0.6
117.03355	0.5
118.04093	0.6
119.04926	40.5
119.08586	0.8
120.05241	1.3
120.07078	0.4
121.02849	0.4
123.04360	0.8
127.03896	2.8
129.03365	0.9
131.04883	0.5
131.08545	0.4
132.02074	1.5
135.04364	1.0
136.05205	0.7
137.05965	1.0
139.03880	5.1
145.02826	1.0
147.04388	35.9
148.04712	0.7
149.02335	1.5
149.05898	0.5
151.07509	1.0
157.03946	3.4
161.05911	0.8
161.09578	0.6
163.03920	2.1
164.04665	1.3
167.07051	0.5
175.03885	55.4
176.04218	1.9
177.05426	0.5
179.01335	0.5
179.07005	3.0
192.04138	2.5
201.09094	0.8
203.10683	0.4
207.06499	100.0
208.06850	4.2
213.08995	0.5
219.10202	0.6
225.07526	1.9
231.10202	0.7
247.07513	0.5
249.08963	0.5
265.08463	0.5
269.08160	0.4
277.08429	0.7
287.99979	0.5
291.10205	0.5
293.07794	0.4
307.09348	0.5
307.72925	0.4
309.09744	0.9
315.08685	0.7
337.10748	0.7
351.10675	23.5
352.10965	1.4
367.14264	0.4
369.12625	4.3
369.17542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1331
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
53.03942	2.1
54.96069	1.1
55.01869	2.0
57.03448	1.1
58.53591	1.0
61.90639	1.1
65.03929	2.2
67.05497	2.4
68.99783	3.6
69.03418	5.9
69.80276	5.9
77.03900	1.2
81.03427	8.7
81.07059	1.8
83.04989	1.9
85.02890	4.3
91.05476	15.8
93.03397	1.8
93.07014	1.6
95.04931	2.2
95.08633	1.1
97.02896	1.8
97.06529	1.1
99.04434	2.0
103.05460	3.1
105.03352	1.3
105.07045	1.9
107.04969	1.9
109.02878	2.9
109.06580	1.4
111.00833	1.5
111.04443	3.8
115.05418	2.0
117.07011	1.8
119.04938	21.3
121.02882	1.6
121.06548	1.0
122.03610	1.0
123.04421	11.3
127.03889	2.7
128.06212	1.4
129.06998	2.7
131.04910	5.4
132.62050	1.0
133.06485	1.9
137.05968	9.4
139.03899	100.0
140.04262	1.7
141.06982	1.8
145.06474	2.7
145.10008	1.2
147.04411	19.7
147.11713	1.1
149.05954	5.8
151.03941	5.0
151.07567	2.7
153.05542	2.4
153.06990	1.4
155.08575	1.5
157.03949	1.9
157.06493	1.7
159.07990	1.1
160.05209	3.1
161.05972	14.2
161.09634	1.5
163.03891	19.1
163.07564	1.2
167.07080	2.3
167.08403	1.4
169.10135	2.5
171.08025	1.7
173.05971	4.5
173.09546	2.4
174.06763	1.2
175.03906	29.9
175.07504	5.3
177.05478	2.4
177.09090	2.0
179.03397	11.0
179.07016	2.5
179.08569	2.2
179.10732	1.1
181.06488	1.7
183.08128	1.2
185.06006	1.2
186.06789	1.2
187.07556	4.7
189.05431	1.6
189.09045	9.0
191.07071	1.2
191.10634	9.9
192.04080	1.5
195.08037	1.3
197.05992	1.7
197.09605	3.0
199.07460	1.8
200.08342	1.1
201.09119	13.6
203.10689	2.4
207.06500	50.3
208.06871	1.3
211.07443	1.4
213.09145	3.2
214.06319	1.7
215.10674	7.1
219.10153	11.7
225.09196	4.8
227.07121	1.2
229.04895	1.8
231.10175	5.3
243.10110	7.9
263.07043	1.8
267.06509	1.3
267.10196	1.3
276.08023	1.4
277.08401	2.0
279.06573	1.9
282.05261	1.5
283.05957	1.5
285.07562	1.2
295.06052	5.2
307.09665	1.3
308.06775	1.6
309.07471	4.8
313.07068	13.6
313.10507	1.6
322.08243	3.3
323.09064	2.3
323.12540	1.1
325.10657	3.5
337.10648	1.8
341.13821	1.3
351.12326	13.6
369.13275	12.0
377.30292	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1331
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
50.58359	1.0
51.26519	1.1
55.01869	2.3
57.03409	1.3
61.38040	1.0
65.03927	1.9
67.05524	1.5
67.07652	1.0
68.29110	1.0
68.99791	3.6
69.03410	4.4
69.80738	7.3
79.05457	1.4
80.87067	1.0
81.03401	7.3
81.07033	1.1
83.04961	1.4
85.02886	1.7
91.05475	14.8
93.03403	1.3
95.04966	1.9
97.02877	1.9
103.05458	2.2
105.07037	2.2
106.31068	1.3
109.02873	2.3
111.00796	2.0
111.04451	5.4
115.05492	2.1
115.78622	1.1
117.07011	1.4
119.04940	18.3
121.06434	1.7
123.04427	11.0
127.03899	3.2
128.06165	1.2
129.06941	1.8
131.04941	5.9
131.08537	2.3
132.13631	1.1
133.06512	1.6
135.04434	1.5
137.05968	10.3
139.03896	100.0
140.04318	1.1
145.06503	1.5
145.10063	2.0
147.04413	15.0
147.07971	1.1
149.04948	1.2
149.05978	6.9
149.41071	1.1
151.03929	4.1
153.05463	2.2
153.06961	2.2
155.08508	1.6
157.06415	1.3
160.05186	4.2
161.05986	11.5
161.09596	1.1
163.03893	19.2
165.01862	1.2
167.07004	3.2
169.06519	1.3
169.10109	1.9
173.05957	4.0
173.09575	3.4
174.06686	1.9
175.03906	25.2
175.07544	5.0
177.05516	1.3
177.09125	1.7
179.03366	10.1
179.06944	1.2
179.08485	1.9
181.05020	1.4
186.06789	2.1
187.07542	2.4
189.05617	1.1
189.09094	10.7
191.10657	10.9
195.08058	1.5
197.09554	1.8
198.06642	1.3
201.09123	11.5
203.10631	4.5
207.06523	45.7
210.06683	1.7
211.07603	2.0
213.09135	3.3
215.10611	7.6
217.08670	1.8
219.10170	12.8
225.09192	5.3
229.04881	1.5
231.10231	7.2
239.06946	1.7
243.10187	9.1
249.05576	1.3
249.09009	1.1
249.73247	1.2
267.10089	1.5
283.05951	2.3
295.05984	6.4
297.07642	1.3
309.07422	3.4
313.07153	11.0
321.07523	1.8
322.08368	3.9
325.10641	3.0
333.11078	1.4
336.78696	1.3
337.10846	1.5
341.13876	1.2
351.12094	13.4
369.13327	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	369.133
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
54.71455	1.1
55.01862	2.1
56.86810	1.1
57.03417	1.5
65.03934	2.1
67.05494	1.3
68.99787	1.6
69.03414	5.3
69.64879	7.0
78.67343	1.2
79.05463	1.5
81.03410	7.8
81.07049	1.6
83.04970	1.9
85.02908	2.7
91.05478	16.5
92.32324	1.1
93.03403	2.5
95.04959	1.9
97.02888	1.9
98.21415	1.8
103.05460	2.5
104.54272	1.0
105.07012	3.3
107.08621	1.2
109.02855	1.8
109.06487	1.5
111.00809	2.7
111.04429	4.2
115.05463	2.0
119.04939	21.3
119.08539	1.2
121.02855	1.3
122.03683	1.4
123.04416	10.6
127.03912	2.3
131.04922	6.2
131.08469	1.5
133.06560	1.3
133.10020	1.9
135.04349	1.7
137.05969	11.5
139.03893	100.0
140.04208	1.6
141.06973	1.7
145.06505	1.7
145.10132	2.2
147.04401	17.7
149.05965	8.3
151.03906	4.4
151.07555	2.2
153.01855	1.7
153.05469	3.5
154.07809	1.4
155.08505	1.6
157.06412	1.4
160.05197	5.0
161.05971	13.3
163.03925	17.2
165.05463	1.4
167.07037	3.4
169.06465	1.4
173.06001	2.8
173.09630	2.8
174.06729	1.5
175.03900	27.0
175.07446	5.6
177.05412	2.1
179.03398	8.4
179.07027	2.6
179.08527	2.3
182.73792	1.2
185.06024	1.1
186.06786	2.5
187.07576	3.6
189.05568	1.5
189.09102	8.6
191.10658	9.0
197.05936	1.6
197.09618	2.4
201.09073	11.9
203.10660	2.5
207.06512	51.1
210.06815	2.5
211.07544	1.6
213.09149	3.5
215.10617	7.2
219.10170	12.7
225.09108	7.2
229.04977	1.8
231.10133	6.6
243.10158	6.6
263.85611	1.2
267.06534	1.7
267.10266	1.3
275.57120	1.3
279.06622	1.4
283.05975	1.3
295.05920	7.2
297.07480	1.8
305.08206	1.5
309.07486	4.9
311.05527	1.5
313.07089	12.7
313.10455	2.2
321.07504	2.9
322.08194	2.6
323.08939	2.0
325.10721	2.4
351.11801	11.6
365.23376	1.4
369.13321	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	369.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.5
59.05006	2.2
65.03937	2.8
67.05502	4.8
69.03419	5.5
69.07058	2.5
70.05097	12.0
79.05480	6.7
81.03438	5.1
81.07059	5.1
82.96259	2.5
85.02879	3.4
91.05479	19.9
93.07011	3.5
95.04963	4.4
97.06505	3.5
105.07011	5.6
107.04945	6.5
108.05771	3.6
115.05409	2.7
117.07030	4.0
119.04929	15.7
121.06422	3.2
123.04410	11.1
129.06958	3.7
131.04942	7.7
132.05702	3.5
133.06459	2.6
135.04370	2.7
136.05185	8.4
137.05904	2.9
139.03883	71.0
139.07492	6.2
142.48038	2.4
145.06448	11.9
146.07332	3.8
147.04395	18.7
150.06734	3.9
151.07529	92.1
158.07224	3.3
159.08052	3.1
160.05209	5.5
161.06001	5.2
163.07523	3.9
165.05516	5.6
165.09096	13.3
167.07033	4.7
172.08829	4.7
173.05939	3.6
174.06752	8.1
175.03859	25.1
175.07504	11.3
177.09097	10.3
179.06908	2.9
180.57971	2.4
187.07574	2.8
188.08244	5.7
189.09088	17.2
191.06981	4.4
191.10638	3.1
193.08569	4.7
201.09041	18.1
203.10643	17.3
207.06490	46.5
207.08331	3.0
218.07315	2.9
219.08057	5.4
224.08340	4.9
225.09192	2.6
231.08115	3.3
231.10185	4.7
233.09604	4.2
234.06749	3.8
234.10365	2.5
235.07487	5.5
237.09099	8.8
238.09886	5.5
239.10585	3.0
240.07776	4.4
245.09674	4.6
246.10336	8.3
247.07491	6.8
248.08241	4.1
249.09212	5.3
250.10004	4.0
251.10498	2.7
252.11424	6.6
253.08611	6.2
254.09442	9.4
255.10023	11.5
261.09152	8.5
262.09891	23.5
263.07074	3.9
263.10477	5.3
264.07870	2.5
265.08649	9.0
267.10165	17.3
268.10913	6.7
269.11722	7.1
274.09781	2.8
275.10654	6.7
276.11200	4.2
277.08789	5.1
277.12250	12.1
278.09326	6.4
279.10123	7.9
280.10928	6.6
281.08057	7.1
281.11725	16.1
282.08829	7.7
283.09637	10.0
283.13358	9.0
284.10385	3.4
289.12155	25.2
290.09354	6.3
290.12540	4.2
292.10815	3.1
293.08417	2.3
293.11719	8.6
294.12534	3.2
295.09622	10.7
295.13202	8.1
296.10455	12.2
296.13962	3.6
297.11188	53.2
297.14343	4.4
298.11914	29.1
299.12762	5.3
305.11667	61.3
306.12244	4.8
307.09659	2.9
309.11179	5.2
310.11911	4.6
311.12732	93.1
312.13486	100.0
313.13788	7.1
319.13290	12.3
320.10251	4.5
320.14056	93.7
321.11194	18.9
321.14639	5.6
322.11844	2.8
325.14301	26.5
326.15082	82.9
327.08896	5.4
327.15784	46.6
328.16342	3.0
336.13461	24.1
337.14227	4.2
338.15152	3.6
339.12268	3.6
341.17508	7.2
351.11279	6.6
351.15857	97.3
352.16217	9.1
369.13101	12.0
369.16998	79.7
369.27335	2.6
370.17310	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	369.1693
Annotation	4,4-Bis[4-(acetyloxy)phenyl]3-hexanone
Peak:m/z	Relative Intensity
53.03934	2.3
55.01854	2.8
57.03418	1.4
65.03940	2.2
67.05488	4.3
68.99770	1.7
69.03410	5.3
69.07054	4.6
70.97357	3.1
75.04469	1.4
78.04684	1.4
79.05485	9.1
80.06247	1.4
81.03410	7.4
81.07048	5.2
83.04960	2.7
85.02886	2.0
91.05474	18.8
91.69706	1.3
93.03385	1.5
93.07024	3.2
95.04944	4.1
95.08590	2.9
97.02861	1.9
97.06512	25.8
99.04459	2.8
103.05444	1.6
105.07013	6.8
107.04929	7.6
108.05714	2.2
109.02837	3.1
111.04436	2.6
115.05473	1.6
117.07018	2.3
118.04199	1.2
119.04922	20.2
121.02818	1.3
121.06498	3.5
121.10123	1.4
123.04407	24.4
127.03848	2.0
128.06201	1.8
129.07007	2.1
131.04921	5.2
131.08528	1.3
132.05748	1.7
133.06488	2.1
135.04375	4.4
136.05197	8.1
137.05934	6.6
139.03885	72.4
140.04224	2.8
145.06461	11.4
145.10141	2.3
146.03552	1.3
146.07242	2.8
147.04388	21.5
148.04912	1.7
149.05917	1.5
150.06781	2.0
151.07520	66.5
152.07880	1.9
155.05037	1.3
155.08534	1.2
157.06499	2.1
158.07257	3.1
159.04446	2.4
159.08034	2.9
160.05176	4.7
160.08780	2.1
161.05952	2.6
161.09578	1.8
161.13242	1.4
163.03896	21.8
163.07524	2.4
165.05478	4.6
165.09103	12.3
166.09431	1.3
167.07042	1.7
169.10210	1.2
172.08839	3.3
173.05936	4.8
173.09621	1.2
174.06783	6.8
175.03886	27.3
175.07443	5.8
177.05496	1.6
177.09106	7.3
179.07013	5.9
179.08417	1.4
179.10744	1.6
188.08296	5.8
189.09087	12.3
191.07018	3.1
191.10622	1.7
192.04112	1.4
193.08578	4.3
195.08025	2.0
197.09631	1.8
199.07382	1.7
201.09077	21.0
202.09653	2.0
203.10629	14.3
205.06709	1.7
205.08635	4.1
207.06494	47.7
208.06862	2.7
209.09729	3.1
210.06772	1.5
219.07974	5.8
219.10147	20.5
220.10492	1.2
221.09569	2.6
222.10402	1.6
223.07449	2.6
224.08315	3.2
225.09145	2.7
226.09869	1.2
231.08008	2.9
231.10191	6.3
233.09657	2.5
234.06699	1.5
234.10428	1.9
235.07541	4.2
236.08305	2.6
237.09091	5.9
238.09836	4.1
239.10666	1.5
240.07730	3.9
241.08527	1.4
243.10150	2.2
245.09567	2.5
246.10405	3.6
247.07512	7.2
247.11049	1.5
248.08386	2.4
249.09050	5.9
249.12753	1.5
250.09875	4.0
251.07060	2.4
251.10638	4.6
252.07771	2.0
252.11467	3.2
253.08597	5.3
254.09352	8.3
255.10138	7.6
261.09152	5.2
262.09885	16.1
262.71362	1.4
263.07019	2.4
263.10458	4.3
264.07745	1.8
264.11411	2.4
265.08551	8.5
265.12177	1.9
266.09299	4.0
267.10110	12.2
268.10812	6.9
269.08191	2.5
269.11670	8.8
274.09869	2.7
275.06934	1.6
275.10626	1.9
276.08136	1.6
276.11340	3.4
277.08527	3.4
277.12231	7.8
278.09348	3.3
279.10159	10.1
280.10867	3.5
281.08124	5.3
281.11633	11.8
282.08804	5.2
282.12057	2.1
283.06476	1.6
283.09662	5.4
283.13214	6.7
284.10397	2.1
285.11298	1.4
289.12170	17.8
290.09296	5.2
291.10233	2.1
293.11652	7.6
294.12442	4.0
295.09567	6.3
295.13281	6.7
296.10400	9.3
296.14011	5.2
297.11157	43.4
298.11920	20.3
299.09509	1.5
299.12662	5.0
304.10837	1.8
305.11670	39.2
306.08975	1.7
306.12244	3.9
307.13190	1.5
308.10303	1.5
309.11102	5.1
309.14401	1.2
310.11908	4.0
311.09412	2.1
311.12717	72.0
312.13486	100.0
313.10587	2.1
313.13943	6.4
315.08557	2.7
319.13150	8.9
320.14029	58.2
321.11157	12.1
321.14453	4.7
323.12842	3.3
325.10770	3.1
325.14301	22.8
326.15073	70.7
327.08640	4.4
327.15799	46.0
328.16199	3.3
335.12921	1.7
336.09894	2.3
336.13495	15.5
337.10611	2.9
337.14215	2.1
338.15103	2.7
339.12088	2.0
339.15805	4.1
341.17340	10.9
351.11008	7.5
351.15829	66.2
352.16223	6.1
354.14941	1.3
369.13037	18.9
369.16962	69.5
370.13370	2.5
370.17233	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	369.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16957	0.6
52.03833	0.5
52.38235	0.5
53.03923	1.3
55.05503	0.6
60.77731	0.5
67.05473	1.6
72.89843	0.5
73.65241	0.6
73.94679	0.5
78.04677	0.7
79.05483	3.4
81.03401	0.9
81.07022	1.2
90.35487	0.5
91.05447	1.9
93.07020	1.1
94.04178	2.1
95.04958	2.4
95.08614	1.1
96.05719	3.2
105.04440	0.6
105.06993	0.5
107.04932	1.5
107.08543	0.7
108.05728	9.9
109.02844	1.5
109.06496	4.4
121.06528	0.6
122.03632	1.3
124.05195	24.9
125.06008	1.5
129.06947	0.7
131.08574	0.9
136.05205	1.0
139.07520	100.0
140.07838	2.0
143.08620	0.5
145.06509	1.3
146.07248	0.6
151.07524	9.2
153.05367	0.6
155.06995	1.8
157.06453	0.7
165.05450	21.5
165.09111	2.3
167.07016	70.1
168.07314	1.2
172.08829	2.8
173.05963	2.1
175.03906	0.8
175.07483	0.8
177.09117	1.9
179.07100	0.7
188.08296	10.3
189.09013	1.6
191.07022	2.8
194.13234	0.7
203.10640	34.7
204.11028	1.4
207.06487	1.5
215.10658	1.7
231.10121	1.2
262.09796	0.7
277.21393	0.5
291.10132	0.8
297.11142	0.7
305.11670	1.3
307.13144	0.6
311.12799	1.5
312.13483	2.3
319.13214	1.4
320.14096	1.4
325.14432	1.0
326.15140	0.8
327.12088	1.5
327.15729	0.7
341.17490	1.8
351.15729	2.9
352.15918	0.8
369.16953	23.8
369.24051	1.0
370.17322	1.1
386.45038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1694
Annotation	4,4-Bis[4-(acetyloxy)phenyl]3-hexanone
Peak:m/z	Relative Intensity
57.07054	3.1
67.05510	3.8
69.07053	6.6
69.28754	31.6
79.05477	9.1
81.07039	9.0
91.05491	5.7
93.07023	4.7
95.04946	4.6
95.08589	8.3
98.20708	5.6
105.07009	7.6
107.04942	8.1
107.08549	5.0
109.10139	8.6
119.08531	4.6
121.06492	6.6
121.10116	4.5
123.82483	2.9
131.04884	6.1
131.08546	4.0
133.10133	3.8
136.05154	3.7
137.05922	5.4
139.07481	12.6
141.05467	2.9
145.06453	8.4
147.04379	3.7
147.11673	5.6
149.05997	4.7
150.06746	3.7
151.07529	64.4
157.10121	4.2
158.07198	4.6
159.07986	4.8
162.06754	4.2
165.04149	6.4
165.05455	74.4
165.09111	18.1
167.06976	8.4
172.08798	5.7
174.06822	5.7
175.07480	7.2
177.05156	2.8
177.09052	14.0
180.90605	3.1
187.07397	3.2
188.08311	9.4
189.09041	22.5
191.07010	7.5
191.10687	7.6
193.08371	4.1
201.09097	5.2
201.16496	4.9
203.10634	27.2
203.18091	4.7
207.06360	4.1
211.07428	3.7
215.10675	10.7
224.08452	4.2
227.17902	3.4
231.10135	7.4
233.09605	4.4
235.07358	5.0
237.09186	4.6
240.07869	3.3
249.08897	5.0
251.10565	4.6
253.08540	4.3
253.12283	4.5
254.09398	6.8
255.10020	8.7
262.09918	14.0
263.10532	3.4
265.08618	6.2
267.10065	11.1
268.10907	4.6
269.11694	5.9
277.12155	5.0
279.10141	4.3
280.10965	4.8
281.11584	8.4
282.08713	7.5
283.13132	8.5
284.10217	4.5
289.12140	11.4
290.09235	5.5
293.11746	5.6
295.09836	6.3
295.13245	12.5
296.10406	8.0
297.11224	49.8
298.11942	24.5
299.12646	3.8
305.11722	29.7
306.12180	4.8
311.12790	81.9
312.13498	100.0
313.13950	9.7
319.13318	7.0
320.14066	36.5
321.11243	8.4
325.14255	24.4
326.15054	61.4
327.15729	29.5
336.13556	13.1
337.14133	6.9
338.14890	3.7
339.15582	4.6
341.17590	6.5
351.11780	4.2
351.15872	58.3
351.22897	4.2
352.15863	4.9
369.12833	7.4
369.16956	76.5
369.24133	42.0
369.28452	6.5
370.17648	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1695
Annotation	Spherosinin
Peak:m/z	Relative Intensity
53.03949	1.5
53.26620	1.1
55.83511	1.2
67.05493	1.6
71.52335	1.9
73.86935	1.1
74.64197	1.1
79.05476	4.7
81.07030	2.6
83.88735	1.3
89.64273	1.1
89.89433	1.2
91.05471	7.6
93.07016	1.6
94.04176	1.8
95.05001	1.5
95.08635	1.3
96.05731	1.8
97.06552	1.2
101.54697	1.1
103.05446	1.3
105.07027	2.9
107.04939	3.9
108.05721	2.8
109.06529	2.9
110.03677	2.3
111.08056	1.4
115.05443	3.1
117.07055	2.9
119.04938	4.4
121.06528	5.9
122.03619	1.2
123.04391	2.0
124.05206	5.5
125.05988	6.5
128.06195	2.6
129.06999	3.9
131.04907	3.9
133.06525	2.7
135.04410	10.1
135.08080	1.5
136.05177	4.0
137.05959	3.3
139.07541	17.2
141.06985	1.9
142.07820	1.9
143.08545	2.5
144.05730	2.2
145.06465	18.0
146.07303	6.1
147.04440	6.2
147.08069	1.9
148.05092	1.3
149.02321	1.6
149.05943	2.8
150.06749	2.4
151.03972	2.2
151.07539	47.3
152.04677	9.4
153.05464	15.0
153.06685	2.0
157.06479	4.4
158.07259	5.0
159.04443	2.4
159.08057	8.7
160.08823	12.2
161.05966	3.4
162.06723	5.8
165.05469	4.1
165.09122	9.3
167.07027	39.0
169.06432	1.8
171.08057	5.2
172.08829	8.5
173.06027	5.9
173.09631	1.5
174.06795	8.3
175.03935	5.3
175.07542	3.5
176.04645	1.4
176.08313	2.4
177.09088	12.8
179.07076	1.6
181.08629	4.6
184.08852	2.3
185.05983	2.9
187.07495	1.9
188.08313	13.7
189.07390	2.7
189.09105	53.3
190.09427	1.4
191.07014	12.9
191.10678	18.5
193.08597	11.7
195.07971	1.5
200.08266	5.5
201.09045	5.8
203.10646	58.4
204.11086	2.5
205.06876	1.4
205.08540	6.2
207.06506	8.4
215.10661	68.9
216.11333	10.2
219.08049	1.8
221.09648	1.8
223.07527	1.5
231.10121	10.2
234.06772	1.5
235.07565	2.6
236.08119	1.4
237.09091	1.5
238.09744	1.3
239.10666	1.6
240.08192	1.2
247.07553	1.7
248.08324	2.8
249.09216	2.0
250.09825	1.2
251.07135	2.5
251.10684	2.0
252.21663	1.3
254.09416	2.0
255.10220	1.3
261.09161	1.7
262.09924	1.8
263.10745	3.4
265.08643	5.4
265.12241	1.2
266.09430	3.3
267.06329	1.2
267.10159	1.9
268.10593	1.5
269.11737	1.8
273.60367	1.2
277.08823	1.5
277.12259	2.8
278.09491	2.6
278.12827	1.5
279.10175	3.7
280.11047	2.5
281.08600	1.3
281.11703	4.2
282.08994	1.4
283.09650	1.7
289.12170	1.8
291.10226	3.7
292.10855	1.9
293.08038	3.0
293.11780	3.2
294.08817	2.4
295.09689	2.8
295.13235	2.1
296.10306	1.9
297.11209	6.7
298.11966	2.1
305.11707	4.8
306.12320	3.1
307.09454	3.2
307.13034	2.1
308.10388	3.6
308.14087	3.2
309.11334	6.9
310.11932	2.2
311.12601	8.6
312.13461	11.3
313.14053	1.2
319.13327	2.2
320.14224	3.6
321.11258	1.6
322.11783	1.6
323.12717	7.8
324.13580	4.2
325.10638	7.2
325.14389	6.2
326.15103	6.6
327.15826	3.8
336.13336	1.7
337.14294	4.9
338.15070	9.6
339.12180	6.7
339.15927	11.5
340.13055	8.9
341.17410	3.9
351.15790	6.8
354.14636	5.8
369.13440	4.4
369.16971	100.0
370.17429	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	369.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	2.3
53.03938	4.6
55.01865	6.2
55.05500	3.9
57.03424	6.4
61.02911	5.8
65.03947	3.7
67.05490	7.7
69.03422	57.4
69.07060	3.8
70.81379	1.9
70.97261	2.8
70.97597	3.6
71.04990	5.1
73.02896	4.6
79.05482	10.0
81.03407	18.0
81.07040	10.5
83.04967	9.5
85.02901	33.2
85.06534	2.0
87.04477	2.1
91.03965	2.9
91.05468	35.3
92.05784	2.5
93.03374	2.1
93.07035	8.1
95.01315	5.1
95.04944	17.9
95.08576	4.7
97.02894	14.4
97.06518	5.6
98.97578	1.9
99.04436	7.3
103.05463	6.3
105.07014	22.4
107.04962	12.3
107.08607	15.2
109.02893	12.9
109.06498	9.4
109.10169	3.5
111.04418	2.9
113.05989	3.5
114.98734	1.8
115.03928	1.9
115.05457	4.3
117.07029	3.9
119.04935	32.4
119.08562	17.1
121.06490	6.2
121.10142	8.8
123.04419	22.6
123.08069	7.0
123.11727	4.8
124.07697	1.8
125.02318	2.4
125.05981	6.4
127.03902	10.4
127.07510	2.0
128.06245	2.8
129.06987	2.5
130.04135	1.9
131.04916	5.5
131.08551	7.2
133.06476	6.8
133.10127	25.4
135.08038	8.2
135.11711	2.0
137.05968	14.5
137.09589	10.1
139.03896	3.5
139.07480	3.0
140.04651	12.4
141.05331	2.9
143.04895	3.3
143.08484	5.2
145.04955	4.4
145.06502	6.1
145.10123	9.9
147.04379	27.7
147.08060	6.6
147.11702	9.9
149.05893	2.8
149.09599	21.8
151.07536	14.3
151.11169	76.7
153.05432	9.1
155.07024	35.5
155.08292	3.9
156.09331	6.9
159.08055	15.4
159.11601	2.8
160.08777	3.1
161.05959	7.0
161.09624	6.3
161.13243	10.0
163.03914	3.6
163.07506	9.8
163.11142	18.3
165.05530	2.7
165.12817	2.2
167.03374	14.9
167.07018	71.0
168.07407	2.6
169.04930	2.3
169.06375	2.0
171.11729	6.9
173.09573	2.1
174.10382	34.3
175.03882	46.6
175.07504	4.7
176.07048	6.1
177.05463	6.9
177.07829	10.8
178.08707	2.9
179.07040	11.7
179.10681	5.8
180.07741	7.2
181.04929	2.1
187.07542	2.6
187.11206	3.3
189.05588	2.7
189.12724	100.0
190.08620	8.4
191.14293	31.0
192.04269	3.3
192.10185	40.9
193.08646	3.7
194.09367	57.7
195.06421	2.3
195.10028	11.3
199.07584	2.8
201.05585	3.2
205.12184	3.3
207.06506	83.2
207.13773	53.4
208.06876	2.1
215.05466	5.7
221.08017	2.1
223.10873	3.1
228.06812	1.9
231.11357	17.4
233.08011	2.4
244.07195	2.3
263.09225	2.5
306.14307	2.5
329.16037	4.2
351.10767	8.3
369.18661	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	5.8
55.05487	5.9
56.05007	3.6
57.03418	6.8
58.95424	2.9
61.02916	7.3
67.05486	9.7
69.03413	34.3
69.07053	6.2
69.39641	13.6
69.40063	13.1
71.04974	5.2
79.05485	10.7
81.03403	20.4
81.07046	15.5
83.04964	22.2
85.02892	59.1
91.05456	32.8
93.07030	13.6
94.99244	3.2
95.04420	3.4
95.04962	18.8
95.08591	9.0
97.02882	17.2
99.04440	7.1
105.07019	26.4
107.04927	6.9
107.08563	12.1
109.02891	16.1
109.06500	16.0
109.10150	8.2
119.04943	26.8
119.08571	20.9
119.57372	3.5
121.06468	10.0
121.10123	16.8
123.08078	7.6
123.11693	7.7
127.03905	9.9
128.06210	3.7
129.06981	4.2
131.08539	11.8
133.06470	10.5
133.10104	29.9
135.04433	4.6
135.08041	9.4
137.05960	6.7
137.09610	13.4
143.08499	5.1
145.04939	11.9
145.06554	4.5
145.10088	15.7
147.04401	27.0
147.08025	6.2
147.11653	12.5
149.06053	3.7
149.09616	40.1
149.13184	3.1
151.07536	5.1
151.11162	100.0
156.09317	8.4
157.09987	3.8
159.08028	9.6
159.11653	3.9
161.09608	18.8
161.13264	6.5
163.11174	35.5
167.03288	3.8
167.07054	5.2
171.11687	11.0
171.19966	3.1
173.09612	4.8
174.10371	27.9
175.03905	33.6
175.11160	32.5
179.10646	33.2
185.04160	3.0
189.09106	4.4
189.12729	72.8
190.08560	3.4
191.14285	55.4
192.10065	5.6
192.14560	4.0
195.11279	14.9
205.12242	7.6
207.06505	72.7
207.13776	85.4
223.10815	33.8
260.13858	6.2
306.14288	15.9
351.10858	10.6
351.17801	4.5
355.17413	13.4
369.15094	63.9
369.18903	8.3
370.14658	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	370.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.2
55.93534	3.3
56.94296	3.6
57.03426	3.6
59.81083	2.3
61.02900	3.7
69.03415	17.2
70.95882	3.1
71.04993	17.6
71.52785	2.8
71.53182	3.0
72.93782	16.5
73.04756	9.0
81.03423	10.6
85.02902	21.8
85.03376	3.1
87.04456	2.8
88.96844	2.4
89.06024	100.0
90.94822	13.7
91.05857	41.5
95.04993	4.0
97.02887	49.4
99.04471	5.2
107.04958	3.5
108.95832	3.3
109.02866	16.7
110.97575	2.1
119.04929	11.4
121.06532	2.1
123.04400	13.3
127.03895	20.0
128.96281	3.1
132.95842	9.8
133.02849	5.5
135.06523	24.5
136.95262	2.4
137.05959	39.5
137.06941	4.1
139.03986	2.3
140.96397	2.4
144.95831	3.7
145.04958	17.8
146.97379	3.9
147.04443	3.9
150.03096	7.0
150.96921	8.1
151.03957	3.2
158.97388	23.2
161.02318	4.7
162.96899	7.3
163.03912	4.2
168.95871	4.9
174.09065	2.2
176.98489	15.8
177.05385	2.2
178.04990	6.5
179.03398	14.4
179.05377	2.8
186.96901	6.0
188.98534	3.4
194.97433	9.6
197.08125	3.1
198.96898	4.2
204.97946	3.9
206.04532	7.0
207.04842	4.4
208.04930	2.6
208.09679	3.9
208.98929	21.2
212.98376	14.7
215.09140	4.3
216.97981	11.7
219.01558	2.3
226.99977	50.6
234.98962	48.0
237.02731	2.6
243.08647	2.8
245.00940	2.6
249.99207	5.0
250.99979	6.0
253.00053	3.5
258.00543	3.0
259.97604	4.3
261.09702	8.5
263.00052	5.5
267.00043	3.6
268.97867	10.3
269.01111	10.2
281.01102	9.6
283.03070	4.2
285.00870	18.6
287.00128	7.6
293.01025	2.8
303.01782	3.0
304.00061	3.0
305.01062	10.0
341.03107	3.1
353.03174	9.8
355.06995	13.0
370.03452	23.5
370.11667	11.4
371.04196	78.7
371.12427	3.2
371.16925	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38618	1.0
53.03935	1.6
55.01853	1.4
55.93522	5.3
56.94304	5.2
56.96556	1.3
65.03924	1.2
65.07185	1.0
69.03428	5.4
70.81390	1.4
70.81702	1.2
70.95868	5.4
71.04975	1.1
71.92992	1.5
72.93774	21.7
73.02887	1.3
73.04750	11.1
74.95337	1.8
79.05496	1.1
81.03413	5.8
81.07050	1.0
83.04990	1.5
85.02895	6.8
88.96879	2.3
89.06025	2.9
90.94818	15.8
91.05859	47.4
95.04932	3.4
97.02869	8.8
98.97549	1.2
99.04434	1.3
104.96368	1.6
107.04973	1.4
108.95857	6.8
109.02839	2.3
109.06596	1.0
111.04414	1.5
114.07369	2.2
115.33398	1.0
116.98598	1.2
118.94246	1.3
119.04933	12.8
121.02826	1.4
121.06546	1.6
123.04404	12.5
127.03883	2.1
128.96327	3.7
130.97980	1.1
131.04904	1.2
132.95831	16.0
133.02844	2.5
134.97368	2.0
136.87291	1.0
136.95320	2.8
137.02336	1.3
137.05966	52.0
140.96362	2.6
144.95799	7.2
146.97357	3.0
147.04349	1.3
147.06474	1.2
150.96883	10.1
150.98009	1.4
151.03905	2.0
156.95828	1.9
158.97380	36.4
161.02356	1.7
162.96902	8.0
163.69060	1.1
165.05382	1.3
166.97873	1.6
167.05560	3.2
167.06903	1.1
168.95811	4.2
169.03510	2.2
170.97342	3.6
174.96881	3.0
175.03651	5.1
176.98454	25.0
178.97859	2.4
179.03401	5.9
180.99464	1.2
181.99016	1.2
184.98933	1.6
185.04216	1.9
186.96843	9.2
188.98424	3.2
190.96365	1.5
190.97987	3.0
192.06488	1.2
194.97389	3.3
196.98985	1.2
198.96848	6.8
204.97929	3.7
208.98932	37.0
209.04195	4.0
212.98454	3.7
213.98563	1.3
215.00038	1.4
216.97911	16.6
222.96730	2.1
224.98514	1.6
225.04266	1.2
225.99234	1.6
226.99986	70.7
228.00409	1.6
232.00415	1.9
234.98972	67.0
237.02866	1.9
238.99922	2.3
245.01042	1.9
247.00557	1.6
250.89200	1.1
250.99998	10.0
252.99893	7.6
258.00491	5.1
259.97662	4.7
262.99982	8.8
265.01447	1.7
266.99832	4.1
268.97797	13.4
269.01047	12.9
275.00012	3.7
277.01563	2.6
281.01059	8.9
283.02844	3.4
285.00916	19.2
287.00037	10.5
293.00931	4.2
295.02628	3.8
299.06293	3.1
300.46194	1.4
303.02002	5.3
305.01016	18.1
311.01920	1.5
323.02097	1.9
335.02106	1.5
338.09564	9.9
353.03149	12.9
355.06982	12.6
371.04187	100.0
371.16895	6.6
372.04398	2.6
373.08109	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30201	4.4
55.01862	11.1
56.96555	12.5
57.03420	19.5
61.02906	15.5
68.40371	4.8
69.03425	52.4
70.65334	9.6
70.65657	5.2
73.02915	15.4
81.03404	14.4
83.01321	5.0
84.96024	4.4
85.02901	100.0
91.03931	6.4
91.05422	5.2
95.04935	4.8
97.02873	56.1
98.97579	56.5
99.04414	9.9
101.00874	9.9
101.02364	4.5
106.60334	5.4
107.04929	17.9
109.02853	7.5
110.97531	10.2
116.98614	27.8
119.01911	22.1
119.04916	7.3
121.06499	4.3
127.03900	50.1
128.98604	14.9
134.99664	7.9
137.05957	67.1
138.06252	5.8
143.01877	9.0
145.03467	6.9
145.04929	20.0
146.99606	8.6
147.04379	11.3
149.01259	4.8
149.05972	5.8
155.01854	6.6
157.03430	12.2
158.99641	18.5
161.02892	10.7
163.03992	6.0
163.07516	10.7
167.07002	8.2
170.99553	6.7
171.03078	5.9
173.02916	5.2
175.04504	9.9
177.00783	20.5
179.07071	6.3
181.08537	6.6
185.02940	13.8
189.00737	7.4
191.02361	6.8
191.03920	8.3
197.03008	5.4
199.05315	13.0
199.55597	11.8
200.05161	66.5
201.00636	9.5
205.05675	6.7
208.05882	6.6
208.55914	11.6
209.05727	91.0
219.01968	20.9
219.05098	6.3
220.56520	12.2
223.06642	10.7
229.00406	10.9
237.02809	17.8
237.06180	8.4
241.07794	5.8
245.05138	5.8
247.01584	5.4
255.05476	11.1
261.02969	7.2
272.07971	6.0
273.02927	5.7
273.06311	6.5
281.07635	23.4
287.01178	5.5
290.08353	40.6
329.01968	9.5
347.03183	7.0
353.08893	5.6
371.07285	26.5
371.13663	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	4.0
56.96560	24.9
66.22733	3.2
67.05499	9.8
67.23273	3.1
69.03406	11.1
69.07064	7.2
71.52425	4.0
71.95251	4.3
79.05488	11.4
81.03403	6.8
81.07045	28.6
83.08614	6.2
84.96015	6.4
85.02892	8.6
85.06544	9.0
90.44797	3.1
91.05447	9.9
93.07063	17.8
95.04958	8.1
95.08595	14.8
95.50834	3.3
97.02866	5.5
98.97572	82.0
105.07018	13.1
107.04938	10.8
107.08576	17.3
109.06467	4.0
109.10139	11.9
110.97570	12.3
111.04436	5.7
116.98612	41.1
117.06994	4.2
119.04871	4.3
119.08543	11.3
121.06531	7.8
121.10171	8.3
123.04414	6.8
123.11680	6.4
127.03969	6.9
128.98579	15.9
129.07007	7.1
131.00232	4.5
131.04953	6.9
132.05733	3.4
133.06474	3.9
133.10143	9.2
133.58127	3.3
134.99644	20.6
135.08051	4.6
135.11711	9.3
137.05963	23.5
145.10057	4.5
146.99663	13.8
147.04384	8.7
149.13261	4.0
151.03885	11.0
151.07498	4.3
158.99654	10.1
159.11639	4.4
161.05989	4.3
163.03850	4.0
163.07584	6.5
163.11137	5.6
165.05486	7.0
165.09125	5.8
167.07068	24.9
167.08330	6.0
173.13310	5.0
175.07545	6.9
177.00699	15.8
177.05493	8.7
187.07571	8.5
189.00749	5.5
189.09026	7.9
191.14310	12.2
203.08588	5.0
207.08257	4.4
209.08481	18.9
217.08585	12.4
218.07204	4.7
219.01767	14.0
219.08000	7.5
219.10158	4.9
223.07559	4.8
227.09543	19.2
232.08786	4.7
234.06793	6.3
235.07414	4.8
237.02800	46.3
249.09113	8.5
250.06439	4.0
251.07156	5.6
251.09622	8.0
252.07587	5.0
255.03951	7.6
261.09055	8.3
263.07010	5.0
264.07779	4.8
267.10104	4.4
269.08069	5.5
269.10638	12.3
277.08521	8.2
279.06647	5.0
279.10016	5.3
281.08011	5.3
283.09644	3.9
285.07550	7.3
293.11682	11.1
295.09668	4.2
296.10428	6.1
300.10040	4.7
302.54913	4.3
309.11139	6.9
311.12604	8.1
321.11151	11.5
335.25711	6.0
339.12250	40.4
341.13760	4.9
353.13754	15.3
371.14050	100.0
372.14938	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	371.1488
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
53.03932	0.7
54.38482	0.6
55.05489	0.9
69.03416	1.3
69.07046	1.1
70.52838	2.1
79.05457	2.0
81.03403	1.8
81.07043	2.5
83.04961	0.7
85.02883	1.4
85.06532	0.8
91.05428	1.6
93.07031	1.6
95.04942	1.2
95.08567	2.0
97.02869	0.9
97.06518	1.5
103.05399	0.8
105.07036	3.5
107.04937	2.3
107.08599	1.4
109.06499	1.1
109.10130	1.8
115.05463	0.8
116.42682	0.7
117.92458	0.6
119.04915	1.3
119.08553	0.9
121.06475	1.5
121.10139	9.1
123.08062	1.2
129.06985	0.7
131.04933	1.4
131.08513	1.7
133.10092	3.4
135.08046	1.1
137.05939	3.1
145.06468	0.9
147.04369	2.2
151.03770	0.7
151.07513	1.1
151.11139	0.7
153.07104	0.8
156.05704	0.8
157.06451	1.0
163.11151	0.8
163.14758	0.6
165.06976	1.8
165.09071	0.9
166.07741	0.9
167.06985	2.4
167.08415	0.9
173.13199	2.5
175.03906	0.9
175.07484	0.7
177.05562	0.7
178.07739	2.1
179.08525	0.9
181.06509	2.0
189.07068	0.7
189.09073	0.6
190.07762	0.9
191.08540	1.2
191.14342	3.8
192.07909	1.0
193.06483	0.7
194.07233	4.3
195.07991	1.6
196.08817	0.8
203.08601	1.2
205.06474	2.1
206.07314	3.1
207.08029	2.5
208.08595	0.8
209.05920	2.0
209.09622	1.2
209.15312	1.9
210.06662	0.9
211.07481	1.1
215.08531	1.3
215.10495	0.8
217.08528	1.6
218.07204	2.4
219.08112	1.8
220.08772	1.0
221.05966	3.0
221.09457	1.0
221.81705	0.7
222.06679	4.3
222.10220	0.9
223.07549	3.0
223.11169	0.8
224.08339	3.3
225.09099	0.9
231.08051	0.8
232.08832	1.5
233.06004	0.8
233.09573	1.8
234.06790	3.9
235.07503	4.6
236.08250	4.7
237.05444	2.6
237.09106	2.7
238.06267	0.7
239.06982	0.9
239.10529	1.0
247.07439	1.3
248.08412	0.9
249.09106	12.2
250.06219	4.2
250.09984	3.2
251.07005	5.4
251.09427	0.7
251.10754	1.1
252.07819	10.4
253.08528	3.0
260.08273	1.4
261.09024	2.0
263.07010	3.0
264.07794	4.8
264.11496	0.6
265.05090	2.0
265.08588	15.9
265.11740	1.0
266.05743	0.5
266.06302	0.8
266.09357	10.4
267.10019	2.0
269.08139	1.1
275.06992	0.7
277.08646	4.5
278.09299	3.3
279.06638	1.5
279.10123	0.9
280.07346	9.9
280.10568	1.2
281.08060	7.7
281.11182	1.1
282.08743	0.8
289.08453	0.8
293.08075	2.4
293.11694	10.1
294.08786	1.8
294.12100	1.0
294.32892	0.8
295.09595	4.8
296.10434	11.9
297.11057	1.2
300.09979	0.9
309.11191	2.5
310.11746	1.3
311.09558	1.1
311.12753	9.5
312.10016	1.0
313.10571	1.2
321.11145	4.9
324.09824	1.8
325.10590	2.0
339.12250	100.0
340.12750	9.6
353.13730	1.5
371.14868	35.9
372.15271	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1486
Annotation	(-)-Kusunokinin
Peak:m/z	Relative Intensity
51.02378	0.5
53.03932	0.8
58.13671	0.5
65.03933	0.7
67.05479	0.5
70.05745	2.3
77.03874	0.7
78.04725	0.6
79.05482	2.6
80.06264	0.5
91.05449	2.6
95.04964	0.8
98.21481	0.5
99.03790	0.5
103.05453	6.0
105.03362	1.2
105.06966	0.5
107.04947	6.4
108.05754	3.3
119.04985	0.5
121.06467	1.4
121.51134	0.4
123.03041	0.4
123.04365	0.9
127.43939	0.4
128.06227	0.5
129.06999	0.9
131.04913	16.4
132.05241	0.7
133.06439	0.5
135.04401	63.2
136.05267	2.0
137.05940	0.5
145.06459	0.8
146.07265	1.4
147.04433	1.2
149.02315	1.9
149.05975	2.0
151.07530	100.0
152.07867	3.1
155.06985	0.4
157.06392	0.8
161.05966	11.5
162.06662	1.4
163.03928	1.1
165.05461	4.1
165.09077	2.6
173.05925	1.1
175.03925	0.8
175.07518	0.7
177.09113	3.5
187.07491	0.8
188.08287	1.0
189.09099	1.3
191.10631	0.7
192.07790	1.0
193.08601	1.5
199.07509	3.2
201.09225	0.5
203.08661	0.4
203.10716	1.2
205.08557	1.0
217.08620	0.9
221.26843	0.4
231.08022	0.5
231.10101	0.8
245.09618	0.7
246.10318	0.9
261.09171	0.7
262.09811	0.6
273.08813	0.8
274.09940	0.7
277.08929	0.5
277.12234	1.2
289.08466	0.8
293.11804	0.9
303.10202	3.8
304.10867	2.0
305.11789	2.0
308.94861	0.5
321.11136	0.9
325.14502	0.5
335.12726	6.8
353.13766	9.2
353.17645	1.0
354.14120	0.6
371.14667	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
53.13094	1.2
55.01864	3.4
55.05495	4.4
57.03426	2.1
58.06593	4.8
61.36047	1.3
67.05489	7.2
69.03408	6.5
69.07050	5.5
71.04974	5.0
71.52674	2.5
73.04745	1.4
77.37209	1.3
78.04730	2.1
79.05484	21.5
79.62210	1.4
81.03405	9.7
81.07056	17.8
83.04981	3.5
83.08608	3.1
84.69882	1.4
85.02895	13.0
85.06523	3.0
91.05428	15.9
93.07036	12.0
94.04173	4.0
95.04945	5.6
95.08586	11.0
97.02877	4.3
97.06516	3.5
99.04423	2.3
103.05450	3.8
105.07009	10.9
107.04939	25.9
107.08580	34.6
109.02877	3.5
109.06506	10.1
109.10150	9.0
111.04427	3.4
111.08056	1.7
115.05440	5.8
116.06226	3.2
117.07021	3.3
119.04926	3.9
119.08572	8.9
121.06500	3.0
121.10136	20.3
122.03660	8.4
123.04437	3.5
123.08034	4.2
123.11665	2.0
124.05144	3.1
125.05984	3.1
127.03878	4.9
128.06212	6.3
129.07007	13.7
131.04933	5.1
131.08548	17.3
132.05716	1.8
133.02805	2.9
133.06454	1.5
133.10120	10.6
135.04437	2.1
135.08035	3.4
135.11646	9.0
137.05965	100.0
137.09605	2.1
138.06313	3.3
141.06944	6.2
144.05710	11.1
145.04950	2.3
145.06453	5.5
145.10115	3.5
146.07283	1.4
147.04393	5.2
147.08064	2.2
147.11659	4.5
149.06004	3.8
149.09595	2.8
149.13243	3.5
151.03902	7.1
151.07523	5.4
151.11188	2.7
152.04636	4.2
153.05428	1.6
156.05696	26.4
157.06480	10.0
158.07239	3.9
159.04378	1.9
159.08012	18.8
160.05156	3.7
161.05968	5.2
161.13217	3.4
163.03888	3.2
163.07507	2.4
163.11162	2.6
163.14824	10.0
165.05547	3.0
165.12616	2.0
167.07025	54.3
168.05702	1.7
168.07202	1.5
169.06435	4.2
171.04417	1.8
172.05200	5.3
173.05971	4.8
173.13266	5.4
174.06779	9.4
175.03903	1.8
175.07541	14.4
175.14848	3.9
177.05490	7.0
178.07738	5.3
179.07024	2.5
179.14311	5.8
181.05075	3.6
181.06506	3.6
184.05182	2.9
186.06717	4.4
187.07509	24.5
189.05463	1.9
189.07001	4.2
189.09096	9.8
190.06213	2.0
190.07770	4.5
191.06996	4.0
191.08539	3.7
191.10635	2.6
191.14291	22.6
193.08615	1.9
193.10165	2.3
193.15834	3.6
194.07388	1.8
195.06415	4.1
195.08109	3.5
196.05278	1.9
197.05881	1.6
198.06688	3.4
199.07520	2.6
201.09071	3.1
202.06204	7.1
202.07809	3.3
203.06911	1.9
203.08569	8.3
203.14285	1.7
204.07751	2.0
205.06685	2.6
205.08592	6.1
205.10231	3.5
206.07294	9.0
207.06451	4.7
207.08244	7.1
207.09793	1.7
208.06882	1.8
208.08763	2.6
209.05901	2.4
209.08104	1.8
209.15344	11.0
210.06885	1.5
211.07558	3.1
214.06268	2.2
215.06943	3.8
215.08606	5.7
217.08574	79.3
218.07234	15.1
218.08902	3.3
219.08020	11.5
219.10135	5.1
220.08665	3.6
221.05942	2.4
221.09634	10.4
223.07588	3.5
224.04657	4.4
225.05389	2.1
225.08977	1.5
226.06241	4.5
227.07043	2.4
229.08560	2.4
231.07962	10.8
232.08784	5.5
233.05959	2.8
233.09636	17.2
233.15251	1.7
234.06746	14.1
235.07516	15.6
236.08243	3.5
237.05444	4.1
237.09056	3.4
238.09891	3.4
239.06975	20.5
240.07416	1.8
241.08588	18.7
242.05740	4.8
245.05905	2.5
246.06641	8.6
247.07384	7.5
247.09656	30.8
248.08121	6.9
249.05405	2.2
249.09074	22.3
250.06500	1.7
250.09818	8.0
251.07050	7.7
251.10548	2.5
252.07776	11.0
253.08424	2.3
255.06479	2.4
256.03629	2.0
257.08054	5.8
259.07483	3.6
260.08313	6.4
261.09067	28.7
262.06277	6.1
262.09659	6.3
263.07022	19.2
263.10492	3.6
264.07721	7.9
265.08536	7.3
266.09363	6.1
267.09933	1.7
269.08124	10.3
270.08875	2.9
271.05923	10.0
275.07053	3.3
275.10703	2.9
276.07703	2.4
277.08569	24.3
278.09280	17.0
279.06424	5.1
279.10037	10.7
280.07227	5.0
280.10507	2.0
281.08093	4.1
281.11722	7.8
283.09570	3.9
285.00974	2.6
285.07541	56.1
286.07999	5.7
289.08463	9.5
290.09277	3.3
291.06375	4.2
291.10080	6.2
292.07236	2.3
292.10931	4.9
293.04840	1.8
293.08118	6.9
293.11667	28.7
294.08743	6.6
294.11789	2.8
295.09552	7.5
296.10327	3.4
298.08246	4.1
299.09070	2.6
300.09897	56.7
300.13318	3.2
301.10574	23.4
305.08093	1.9
306.08926	7.6
307.09601	11.3
308.06659	1.9
308.10098	3.5
309.11163	20.8
310.11774	4.4
311.08957	5.2
311.12762	6.0
313.10629	14.3
321.07559	1.5
321.11154	35.8
322.11676	6.7
323.09018	10.0
325.10638	2.5
326.11465	20.8
327.12036	5.7
335.18454	2.9
338.11438	6.7
339.12225	19.7
340.12842	2.3
341.13849	12.9
343.15543	1.9
353.13831	62.3
353.20053	2.9
354.14294	4.9
371.10568	2.4
371.14850	39.5
372.14767	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	371.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.6
55.01884	3.5
55.05492	5.8
56.05023	8.2
57.03421	10.8
60.53712	2.8
61.02897	7.8
61.03200	2.8
67.05478	5.0
69.03419	15.0
69.07047	3.2
69.26044	27.7
71.04967	4.3
73.02893	4.3
73.04741	3.5
79.05478	14.6
81.03382	10.0
81.07049	18.8
83.04966	7.2
83.08591	3.4
85.02898	32.5
85.06515	3.1
87.04486	3.2
91.05428	10.4
91.05849	4.7
93.07021	10.2
95.04951	11.5
95.08585	7.2
97.02885	14.9
99.04449	6.1
103.05446	3.4
105.07004	10.4
107.04941	22.2
107.08574	15.8
109.02840	5.3
109.06493	8.1
109.10120	6.4
111.08053	3.6
115.05413	6.0
117.06993	4.1
119.04935	5.2
119.08568	8.3
121.06471	4.9
121.10121	8.9
122.03631	7.8
123.04410	6.0
123.08043	11.5
123.11655	3.3
124.03867	3.3
124.05240	2.8
125.05945	3.7
125.09590	4.0
127.03889	11.9
128.06229	3.3
129.06998	11.3
131.04912	4.8
131.08548	11.1
133.06418	3.1
135.04369	2.7
135.08014	11.6
135.11641	3.5
137.05969	81.3
139.03810	3.3
141.07005	5.6
144.05656	9.4
145.04930	6.3
145.06493	7.1
145.10107	9.3
147.04376	10.5
149.05913	4.8
149.09552	5.5
151.03847	6.1
151.07504	8.5
151.11191	4.2
153.05441	3.0
153.09105	9.6
156.05676	13.0
157.06470	5.9
158.10938	3.1
159.08055	14.5
161.05905	3.2
162.06943	3.7
163.03850	3.7
163.07516	6.4
165.05492	6.1
167.07013	39.7
167.14267	3.5
169.06380	2.8
172.05165	3.8
173.09621	3.5
173.13251	8.1
174.06764	4.2
175.07512	9.8
177.05449	18.4
179.06934	4.6
180.07811	2.6
181.04913	2.8
181.06367	3.0
181.12192	3.1
187.07512	16.8
189.09106	6.3
189.12839	2.9
191.07040	4.4
191.10579	9.5
191.14296	44.2
192.10175	3.5
195.08546	2.5
195.10100	15.3
202.06213	5.5
203.05223	3.4
203.06862	3.4
203.08594	6.7
205.06511	4.2
205.08478	4.7
206.07222	4.4
209.11597	6.7
209.15289	12.0
210.06102	2.6
211.07567	3.6
215.08682	4.5
217.06561	4.9
217.08548	54.1
217.10687	4.5
218.07243	10.7
219.08078	4.8
219.10072	6.2
220.09651	7.5
221.09691	4.5
223.07675	2.7
224.04700	3.0
226.06168	7.3
231.07935	6.4
233.09668	14.9
234.06773	8.2
235.07449	8.9
236.01819	2.8
236.08315	3.2
239.06961	9.8
241.08597	11.2
242.05827	4.4
246.06615	3.3
247.07474	5.3
247.09616	23.8
248.08124	4.2
249.09108	14.7
250.06432	3.2
251.07100	4.0
252.07663	6.3
257.08115	5.6
261.09106	17.9
262.09900	4.3
263.06961	8.6
265.08524	4.0
266.09222	6.4
269.08087	8.9
271.06052	7.1
277.08551	13.6
278.09268	11.6
279.06604	3.6
279.10001	5.8
280.07132	4.8
281.08347	4.6
281.11606	6.1
285.00946	6.4
285.07538	33.8
286.08105	5.4
289.08469	7.1
291.10001	5.5
292.10992	4.4
293.08417	4.7
293.11658	16.4
294.08569	5.0
295.09702	6.8
300.09885	38.4
301.10577	15.6
306.08728	7.4
307.09482	7.2
307.69940	3.0
309.11154	10.3
310.11536	3.2
311.12698	3.5
313.10641	9.6
321.11166	27.1
322.11646	3.4
323.08911	6.3
326.11304	12.0
327.12024	4.5
338.11609	7.3
339.12189	7.4
341.13770	9.0
353.13742	44.6
354.13858	4.9
371.16840	100.0
371.20840	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	371.1487
Annotation	LETESTUIANIN B
Peak:m/z	Relative Intensity
50.97141	2.3
53.03944	3.7
55.01867	3.2
55.05482	2.2
65.03894	2.3
67.05505	4.0
69.03419	5.7
69.07056	3.3
69.29219	15.2
69.29623	7.6
73.29557	2.1
79.05477	14.4
81.03406	11.2
81.07055	8.1
83.04961	2.4
85.02920	5.4
85.06527	2.6
91.05449	12.8
93.07026	9.7
94.04207	4.4
94.78010	2.2
95.04947	6.6
95.08591	5.9
103.05447	4.2
105.06985	5.5
107.04954	20.4
107.08596	5.9
109.02866	5.4
109.06512	5.9
109.10125	3.9
111.04435	2.6
115.05423	6.9
116.06274	2.7
117.07011	3.1
119.04900	6.0
121.06485	7.0
121.10143	4.8
122.03632	8.8
123.04434	14.1
124.05194	2.7
125.05996	4.4
127.03909	7.5
128.06195	4.2
129.06996	17.1
131.04903	5.1
131.08582	12.1
133.02829	3.8
133.10085	2.6
135.04396	3.3
135.08066	2.5
137.05966	100.0
141.06987	4.0
144.05670	11.0
145.06461	5.9
145.10126	5.4
147.04407	9.3
147.11687	3.2
149.05957	8.3
149.09561	3.0
151.03909	13.5
151.07513	7.0
153.07030	2.5
156.05685	25.9
157.06493	7.8
158.07286	4.7
159.08057	18.0
161.05971	7.1
163.03842	4.6
163.07590	2.9
163.11211	4.5
165.05464	6.7
165.06982	3.8
167.07043	44.3
167.10687	3.3
169.06380	4.0
169.07620	3.3
172.05190	3.2
173.05945	3.1
174.06709	7.6
175.07518	16.0
175.11015	2.2
177.05481	12.7
178.07814	6.6
179.07077	3.3
179.08601	2.6
181.04984	4.4
181.06445	5.6
183.08253	2.7
184.05247	4.8
187.07530	18.4
189.07040	4.1
189.09073	11.3
190.07785	4.8
191.07034	3.8
191.08575	4.5
191.10672	2.9
193.08481	3.3
195.08089	3.1
198.06879	3.3
199.07587	2.8
201.09106	4.2
202.06223	8.7
203.08585	9.5
205.08580	8.6
205.10274	3.5
206.07297	4.5
207.06410	3.8
207.08142	5.0
211.07458	5.6
213.09227	2.9
215.06961	6.7
215.08720	3.6
217.08586	72.6
218.07300	14.3
218.08992	3.3
219.07988	10.4
219.10161	18.1
220.08699	3.8
221.09645	11.4
223.07480	6.1
224.04739	3.4
224.08205	3.0
226.06154	5.2
229.08679	3.1
231.08018	10.5
232.08849	5.5
233.05823	3.2
233.09639	14.8
234.06805	12.1
235.07492	15.8
236.08301	4.8
237.05527	3.2
237.09032	5.3
239.07001	24.0
240.07628	3.1
241.08481	18.2
242.05765	6.2
246.06764	6.8
247.07463	8.1
247.09671	24.0
248.08200	5.8
249.09065	23.7
250.06081	2.6
250.09795	6.1
251.07001	8.2
251.10733	2.3
252.07779	10.1
256.03711	3.2
257.08109	6.5
260.08246	5.2
261.09091	29.7
262.06271	6.2
263.06995	17.1
263.10556	6.7
264.07767	5.5
265.08670	10.6
266.09341	8.6
267.06552	2.9
267.10043	3.7
269.08063	8.9
271.05997	9.1
275.06876	4.1
275.10242	2.9
276.07800	3.1
277.08594	24.5
278.06509	2.8
278.09305	15.4
279.06723	4.8
279.10086	8.3
280.07339	5.0
281.11703	8.9
282.08691	3.0
285.07565	56.8
289.08582	15.6
291.06528	2.3
291.09979	4.5
292.07492	2.9
293.08261	5.3
293.11661	21.1
294.08786	5.2
294.12079	3.3
295.09592	8.8
296.10266	3.7
297.11099	3.0
298.08432	3.0
300.09875	56.7
301.10574	17.8
305.07901	2.6
306.08844	10.0
307.09528	7.6
309.11154	26.4
310.11877	2.7
311.09225	4.6
311.12692	5.4
312.09970	2.8
313.10699	13.5
315.12515	2.3
321.11163	38.7
322.11761	7.5
323.09033	7.1
326.11374	20.5
327.12201	5.2
338.11526	8.4
339.12170	16.3
341.13898	13.1
343.15396	6.0
353.13779	60.0
371.10596	4.6
371.14844	53.0
372.15219	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	371.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24752	3.7
65.03941	3.5
67.05487	9.6
69.03419	5.1
69.07050	8.6
69.85729	19.9
79.05482	19.8
81.03405	7.4
81.07039	13.6
83.08617	4.7
85.02888	4.5
91.05426	21.3
93.07018	13.3
95.04951	13.4
95.08602	13.8
97.02879	6.8
97.06535	5.2
103.05458	13.7
105.07005	17.1
107.04955	22.8
107.08590	11.8
109.02908	5.0
109.06510	3.7
109.10143	11.4
114.33380	3.4
115.05418	5.2
117.07017	6.3
119.04942	10.6
119.08576	11.7
121.06503	17.3
121.10121	6.3
122.03661	4.9
123.04428	16.0
127.03886	5.8
128.06190	7.8
129.07004	18.5
131.04933	18.0
131.08548	9.1
132.05695	30.9
133.06497	3.6
133.10074	6.1
135.04451	5.6
135.08041	6.1
137.05962	64.7
139.07578	6.0
143.08589	3.7
145.04929	4.5
145.06454	9.3
145.10065	3.7
146.07243	9.7
147.04384	8.9
149.05972	11.0
149.09570	4.5
151.03889	8.9
151.07520	68.1
156.05669	8.2
157.06471	12.0
157.10104	6.2
158.07147	6.0
159.08049	10.9
160.05159	27.1
161.05960	12.6
161.09679	3.9
163.03908	6.0
163.07556	8.2
163.11211	4.2
165.05519	8.2
165.06897	3.7
165.09073	24.4
165.12730	5.0
167.06995	44.8
167.44769	3.1
174.06744	19.1
175.07521	100.0
177.05453	13.3
177.09094	53.6
179.08499	4.5
181.03563	3.2
181.04974	13.0
181.08578	4.9
185.09676	3.1
187.07550	17.6
188.08241	4.5
189.09105	34.9
190.07793	3.6
191.07001	6.6
191.14247	8.8
193.08633	7.6
201.09029	7.9
202.07849	4.6
203.08640	5.0
203.10628	4.6
205.06740	5.7
206.07242	8.2
207.06407	5.0
207.08136	3.8
209.07045	4.7
215.08768	6.6
215.10635	4.0
217.06667	6.0
217.08542	27.2
218.07251	12.9
219.06293	5.1
219.08093	8.8
219.10197	11.0
221.05977	7.2
221.09645	6.2
222.06801	4.4
223.07549	5.0
231.08134	6.7
232.08772	4.2
233.09602	11.5
233.11665	4.7
234.06796	10.4
235.07472	11.2
237.09094	5.2
239.06993	10.3
241.08690	9.1
246.07016	5.6
247.07478	8.6
247.09709	8.6
248.08380	7.4
249.09058	26.4
250.09773	5.6
251.06914	3.9
251.10667	6.3
252.07790	8.0
254.09447	4.1
260.08209	4.4
261.08975	17.1
262.09836	5.6
263.06995	13.7
263.10434	6.2
264.07693	6.1
265.08490	16.4
266.09348	12.5
267.10159	5.7
269.08087	6.6
275.10742	4.6
277.08591	24.2
278.09314	14.6
279.06683	5.1
279.10114	9.9
280.07214	8.4
281.08282	7.7
281.11676	11.3
285.07623	15.4
289.08505	8.6
292.07553	3.9
292.10764	5.8
293.08401	6.4
293.11707	20.1
294.08798	5.5
294.12283	3.6
295.09598	7.8
296.10327	9.7
298.11926	11.9
300.10028	17.7
301.10681	3.6
307.09604	7.4
307.13297	9.4
309.11169	19.0
311.09384	4.7
311.12613	16.2
312.13040	4.2
321.07672	4.5
321.11258	21.0
321.14438	3.9
322.11871	4.7
322.15631	11.0
323.09048	5.5
323.12677	6.6
324.13562	5.2
325.11176	3.9
327.12219	5.1
338.11392	5.8
339.12234	62.3
339.16190	3.5
340.12747	6.3
341.14041	7.7
353.14029	23.9
353.17493	31.1
371.11292	4.7
371.14899	79.5
372.15298	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	371.185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59128	1.1
51.14406	1.0
51.98999	1.1
53.03931	1.3
55.01855	2.4
57.03448	1.2
67.05506	3.0
69.03420	2.5
69.07056	1.7
70.81518	3.0
75.74625	1.1
79.05484	4.7
81.03408	2.2
81.07050	2.9
82.48694	1.0
84.24084	0.9
85.02895	3.6
91.05470	6.3
93.07039	3.5
95.04971	3.4
95.08605	2.3
97.06506	1.3
103.05446	2.4
105.07011	4.5
107.04942	14.2
107.08604	2.1
108.05714	3.9
109.02853	1.9
109.06462	2.8
109.10173	2.0
115.05402	2.3
117.06993	1.5
119.04916	1.5
119.08572	1.9
121.06487	7.9
121.88397	1.0
123.04415	3.1
124.05185	4.2
127.03901	1.7
128.06224	4.6
129.06967	8.9
131.04915	4.1
131.08533	3.4
133.06436	2.8
133.10124	1.5
135.04402	6.2
135.08060	2.8
135.11719	1.4
136.05208	11.0
137.05969	11.6
139.07530	12.5
141.06990	2.0
143.08575	3.5
144.05736	2.5
145.05298	1.0
145.06409	5.3
145.10159	1.1
146.07256	1.5
147.04376	2.9
149.02353	1.6
149.05949	4.2
150.06750	3.9
151.03954	3.0
151.07535	100.0
152.07903	1.5
155.08438	1.1
156.05658	3.3
157.06465	7.3
158.07265	4.6
159.08029	8.6
160.08797	1.4
161.05969	4.0
162.06718	2.7
163.03848	2.5
163.07491	5.3
165.05420	3.1
165.09093	15.1
165.12752	2.0
167.07028	18.3
171.07999	2.8
172.08841	16.6
173.06029	9.0
173.09473	3.0
174.06744	2.6
174.10394	11.9
175.03899	2.4
175.07507	5.1
176.08286	2.4
177.05507	5.1
177.09074	2.9
177.49010	1.0
179.07014	2.3
179.10693	3.6
181.04961	3.0
184.08792	3.2
185.05916	2.3
187.07553	3.9
188.06718	2.1
188.08325	32.8
188.10010	1.6
189.05440	1.5
189.09114	9.4
190.09816	4.4
191.07014	2.5
191.08589	1.1
191.10658	3.7
191.14288	4.0
195.08182	1.3
200.08357	3.6
201.08984	2.0
202.09901	1.5
203.06886	1.6
203.08679	2.9
203.10655	50.9
204.07774	2.2
204.10971	1.4
205.06660	1.3
205.12224	34.7
207.08049	2.0
207.10001	1.7
210.06616	1.5
211.07549	1.5
215.10655	18.5
217.08522	7.6
218.07254	2.5
219.08015	4.6
219.10133	3.5
223.07370	1.5
224.08290	1.7
232.08926	2.8
233.09570	2.5
233.11699	16.4
234.06752	3.5
235.07446	4.6
236.08145	2.5
236.69290	1.1
237.09058	2.7
238.09810	1.5
239.07159	1.5
241.08545	1.4
247.07422	2.1
248.08229	2.6
249.09120	7.2
250.06567	1.5
250.09853	7.0
251.07008	3.5
251.10689	3.6
252.07773	2.0
253.08481	1.8
260.08270	1.6
261.09064	7.1
262.09821	3.0
263.07135	2.8
263.10632	4.7
264.07788	2.6
264.11328	2.6
265.08572	5.3
266.09225	9.2
267.09970	2.9
269.11652	1.8
275.10684	3.9
276.11432	4.0
277.08658	7.4
277.11136	1.3
278.09390	6.3
278.12274	1.3
279.10159	5.9
279.13388	2.0
280.07333	2.9
280.10712	2.8
281.08362	2.1
281.11691	7.7
282.12241	2.2
283.09705	3.1
285.07458	3.6
288.84180	1.0
290.12973	2.8
291.10187	2.6
291.13617	1.6
292.10834	3.4
293.11591	8.1
294.09067	1.3
294.12454	4.4
295.09750	3.2
295.13290	4.3
296.10706	2.6
297.11197	5.3
298.11911	2.2
300.09879	3.8
301.10516	1.5
306.12491	2.3
307.09708	2.1
307.13086	11.8
308.10379	1.3
309.11249	13.7
309.14740	2.0
310.11917	3.3
310.15411	2.0
311.12842	5.1
312.13449	2.5
313.10666	1.5
321.11188	5.3
321.14853	5.0
322.15598	18.4
323.09158	1.5
323.12698	4.4
324.13535	21.9
325.10797	1.8
325.14200	7.5
326.11456	1.8
326.15085	4.9
338.11490	1.9
338.14987	6.9
339.12228	14.9
340.16718	1.5
341.13690	2.0
341.17374	9.8
353.13791	4.2
353.17484	41.1
371.14667	15.7
371.18594	23.1
372.15015	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
54.05386	1.1
54.56334	1.2
55.01863	2.3
55.05500	2.3
57.03422	1.4
65.03935	2.5
65.35795	1.0
67.05499	3.2
67.16998	1.1
69.03414	3.7
69.07064	3.4
70.58331	3.8
70.58679	1.2
78.04684	1.4
79.05478	6.0
81.03407	3.2
81.07044	7.5
83.04970	1.6
85.02912	3.5
89.03955	1.0
91.05418	7.7
93.07049	3.7
94.04143	1.2
95.04949	2.5
95.08608	4.4
97.02883	2.1
97.06515	1.4
103.05463	4.4
105.07024	5.2
107.04940	13.8
107.08597	3.6
108.05750	4.1
109.02879	2.7
109.06512	3.6
109.10146	3.2
109.93567	1.1
110.07185	1.3
111.04488	1.1
115.05444	2.5
116.06216	1.3
117.06986	2.0
119.04957	2.4
119.08558	2.9
121.06477	6.4
121.10123	2.1
122.03674	2.9
123.04424	2.7
123.11669	1.4
124.05196	2.6
125.09670	1.1
127.03908	1.3
128.06227	4.0
129.07001	9.7
131.04910	4.6
131.08568	3.4
133.02866	1.7
133.06508	2.4
133.10104	1.2
134.07216	1.7
135.04430	3.5
135.08061	2.0
136.05179	8.5
137.05957	24.8
139.07516	10.5
139.11063	1.4
141.07019	2.7
143.08563	3.7
144.05667	2.6
145.06480	6.5
146.07254	3.0
147.04417	2.4
147.11696	1.5
148.05156	1.3
149.05980	4.3
150.06732	3.1
151.03923	3.8
151.07524	100.0
152.04790	1.4
156.05685	4.3
157.06476	8.6
158.07211	3.1
159.08040	9.4
159.11717	1.8
160.08911	2.2
161.05992	3.4
162.06725	1.6
163.03841	2.4
163.07520	4.9
165.05473	4.2
165.09102	17.3
167.07028	22.5
171.08052	3.8
172.08804	11.9
172.89502	1.1
173.05927	7.6
173.09550	1.9
174.06723	3.8
174.10417	7.3
175.07550	5.0
175.11150	1.4
176.08292	4.7
177.05504	4.1
177.09067	4.4
178.07828	1.6
179.07047	1.8
179.10651	2.5
181.04929	3.7
181.08678	1.7
184.08858	1.7
185.06017	2.2
186.06659	1.5
187.07494	7.9
188.08295	27.3
189.05527	1.5
189.09068	7.4
190.09933	1.9
191.06949	2.4
191.08633	1.7
191.10674	4.7
191.14320	4.0
193.08583	1.9
194.07285	1.6
195.08102	1.6
195.10065	1.2
197.13446	1.2
200.08347	2.7
201.09062	3.5
203.08829	1.7
203.10637	49.4
204.07706	1.5
204.11009	2.3
205.06651	2.6
205.08572	3.5
205.10257	1.1
205.12195	22.2
206.07158	2.4
207.08116	2.9
211.07475	1.2
215.08696	2.0
215.10629	19.7
217.08569	14.3
218.07280	4.3
219.07983	5.1
219.10168	4.4
221.09692	2.0
223.07603	3.8
226.06259	1.7
231.08028	2.8
232.08771	2.3
233.06152	1.6
233.09584	3.5
233.11682	17.3
234.06754	3.7
235.07518	4.4
236.08226	3.1
237.09071	1.7
239.06949	2.2
241.08618	3.3
246.06686	1.8
247.07523	2.3
247.09575	2.5
248.08302	3.0
249.09024	9.7
250.09843	6.7
251.07056	3.2
251.10730	3.8
252.07813	3.9
253.08583	1.4
260.08530	1.9
261.09036	7.0
262.06393	1.3
262.09750	2.0
263.07034	3.4
263.10648	4.1
264.07742	2.8
264.11490	3.7
265.08453	5.8
266.09332	7.2
267.09998	2.2
269.08176	1.8
271.06046	2.0
275.10623	2.6
276.11310	1.9
277.08643	8.5
278.09241	6.8
279.06595	1.7
279.10086	5.8
279.13272	2.0
281.08380	2.1
281.11642	7.1
282.08786	1.4
282.12363	2.0
283.09509	1.8
285.07721	5.7
289.08618	1.9
290.13147	1.5
291.10095	3.7
292.07416	2.0
292.10864	3.7
293.08487	2.5
293.11713	9.8
294.09167	2.3
294.12302	2.4
295.09631	3.5
295.13156	2.6
296.10281	1.3
297.07709	1.4
297.11176	4.5
298.11844	2.5
300.09875	10.4
301.10660	3.9
306.08707	1.8
306.12451	1.7
307.09778	2.6
307.13284	8.3
309.11096	12.7
310.11810	3.8
310.15567	1.8
311.09390	1.4
311.12680	5.8
312.13483	2.2
313.10742	1.5
313.14203	2.1
321.11197	9.9
321.14771	4.0
322.11948	2.3
322.15540	14.0
323.09317	1.9
323.12854	3.1
324.09772	2.1
324.13422	16.5
325.14182	5.6
326.11374	4.4
326.15173	4.6
327.15921	1.8
338.11432	2.9
338.14905	9.1
339.12161	17.1
340.12796	1.5
341.13763	2.6
341.17511	6.8
353.13672	11.2
353.17471	33.9
354.17908	3.2
371.10995	2.0
371.14777	23.6
371.18607	24.5
372.14932	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.7
51.49712	0.6
51.54281	0.7
55.05494	0.8
57.07070	3.8
65.03933	0.8
67.04453	0.8
67.05502	1.4
69.07063	0.9
70.77291	1.8
71.08631	2.2
79.05497	3.8
81.07060	1.7
85.10189	0.9
91.05472	2.4
94.04187	1.3
95.04935	1.5
95.08579	1.0
103.05487	1.9
105.04527	0.8
105.07021	3.5
107.04938	3.1
108.05690	0.7
109.02863	1.0
109.06487	1.3
117.07008	1.3
121.06464	2.5
122.03620	2.0
124.05174	1.5
126.50736	0.7
129.07016	0.8
131.04851	0.8
131.08600	1.1
133.06490	2.3
134.07233	2.5
135.04396	2.3
135.08034	2.5
136.05177	2.0
137.05952	2.0
139.07539	5.9
140.06293	0.8
143.08525	1.4
144.05666	1.0
145.06462	1.6
145.09998	0.8
146.07263	3.3
147.07986	1.8
149.05983	0.9
150.06743	5.7
151.07532	20.0
152.04683	2.7
155.07025	2.5
157.06438	0.9
158.07236	2.3
159.08034	13.9
160.08766	1.1
161.06007	1.6
162.06726	2.7
163.07576	1.5
165.05455	49.6
165.09094	27.1
165.10524	1.3
166.06197	2.2
167.07050	4.2
173.09615	3.6
174.10387	35.6
175.07567	6.3
175.11096	1.6
176.08298	8.4
177.09082	10.5
178.09502	0.9
179.10623	1.9
181.08627	1.7
187.07561	2.1
188.08302	1.3
189.09103	3.5
190.09879	8.1
191.07037	2.2
191.10696	4.6
193.08549	3.7
193.12195	1.6
201.09091	2.2
202.09865	11.1
203.06993	5.0
203.10658	3.0
205.12216	100.0
206.12592	2.4
207.08093	0.9
215.10597	2.0
217.12296	2.9
218.09360	11.8
219.09875	0.9
233.11700	58.0
234.12035	1.3
235.07542	0.9
241.08623	1.3
247.11308	1.1
253.08580	1.0
254.09660	0.8
268.23483	1.4
268.26328	25.9
269.08047	1.2
275.10815	1.2
276.11453	1.9
280.10675	1.0
281.11713	1.1
283.09857	1.4
284.10434	2.3
285.07343	1.4
290.13092	2.7
292.10938	2.0
293.11554	1.5
296.13812	1.1
300.09805	1.2
307.13284	2.6
314.11426	1.4
315.12244	1.8
321.14893	2.3
322.15649	5.8
323.12796	4.0
338.15088	4.5
339.15823	1.8
353.13672	1.1
353.17526	10.4
371.18500	37.7
372.18332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96885	1.1
67.05489	2.6
69.03439	2.1
69.07064	2.6
70.68697	3.9
79.05482	4.6
81.03378	1.2
81.07038	3.2
91.05441	7.4
93.07038	3.7
95.04935	3.1
95.08589	2.4
103.05453	2.6
105.07014	4.1
107.04954	9.0
107.08582	1.7
108.05743	3.2
109.06507	2.0
115.05512	1.7
117.07021	1.3
119.04884	1.7
119.08535	1.8
121.06504	6.9
124.05250	2.4
128.06277	2.0
129.06984	3.5
131.04895	3.0
131.08540	2.5
133.06421	1.8
135.04411	4.4
135.08040	1.8
136.05196	10.6
137.05960	14.0
138.06612	1.5
139.07544	9.6
143.08505	2.0
144.05618	1.5
145.06459	3.7
146.07257	2.3
147.04396	1.5
149.05974	4.6
150.06747	4.6
151.07532	100.0
152.07864	2.6
156.05676	2.5
157.06523	3.8
158.07205	2.4
159.08105	4.6
160.08881	1.6
161.06000	3.0
162.06752	1.7
163.07526	8.6
165.05487	4.3
165.09111	13.6
167.07051	15.5
171.08022	3.1
172.08841	7.2
173.06020	5.9
174.10448	3.5
175.07480	1.8
176.08302	1.3
177.05446	3.4
177.09070	6.3
179.10721	2.1
181.04930	2.0
181.08580	2.8
185.06004	1.5
187.07558	2.1
188.08321	15.9
189.09077	5.3
191.10646	3.1
193.08539	1.8
201.09106	1.6
203.08820	1.1
203.10643	32.9
205.08641	2.0
205.12230	7.8
211.07553	1.6
215.10646	14.6
217.08554	6.5
218.07239	1.7
219.08069	1.9
219.09991	1.6
221.09706	1.7
223.07532	2.2
231.08040	1.8
233.09639	1.9
233.11740	3.1
234.06831	1.7
235.07518	2.0
241.08324	1.3
246.06786	2.1
247.07349	1.8
247.09534	1.8
248.08276	1.5
249.09120	4.8
250.09666	1.6
252.07886	2.1
252.90210	1.3
253.08467	1.3
255.10245	2.1
261.09128	5.2
263.07025	1.7
263.10797	1.4
265.08484	2.2
265.12125	1.6
267.10049	2.2
276.11359	1.5
277.08542	5.6
279.10129	3.6
281.11697	2.0
285.07474	3.4
289.08755	1.4
290.12903	1.5
292.10776	2.8
293.11697	3.3
295.09711	1.9
298.11597	1.9
300.09872	3.7
301.10852	1.5
307.09805	2.6
307.13281	6.3
309.11176	4.3
311.12817	10.8
321.11096	3.6
321.14728	2.6
322.15594	8.2
323.12662	2.0
324.13754	2.7
325.14246	2.8
326.11475	1.5
338.14981	5.0
339.12082	7.8
353.13684	4.0
353.17386	21.0
371.14590	13.0
371.19022	9.0
377.96442	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.185
Annotation	(3R)-3,4-Dihydro-3-(3-hydroxy-2,4-dimethoxyphenyl)-8-(3-methyl-2-butenyl)-2H-1-benzopyran-7-ol
Peak:m/z	Relative Intensity
53.03942	3.1
56.45149	1.5
58.93036	1.5
58.94891	1.3
65.03935	2.0
66.04715	2.2
67.05487	1.8
69.49496	6.5
69.49924	5.8
77.85114	1.6
79.05468	7.1
81.07040	2.1
91.05465	6.5
94.04173	2.4
95.04957	3.2
103.05445	4.2
105.07007	3.3
107.04962	7.3
108.05690	4.1
109.06493	4.3
117.06915	1.7
121.06489	7.6
122.03605	4.5
125.05943	1.5
129.06908	1.8
131.04926	2.7
131.08595	1.9
133.06458	3.7
135.04376	4.8
136.05222	2.1
137.05930	3.4
138.06700	2.5
139.07526	5.9
142.07834	1.5
146.07320	2.2
149.05916	1.6
150.06735	7.6
151.07526	60.4
152.04674	3.1
155.07008	5.9
158.07286	5.3
159.08014	8.1
160.08864	1.7
162.06790	2.4
163.07487	3.5
165.05455	100.0
165.09096	37.6
166.06224	3.6
167.07011	20.5
171.08002	4.6
173.09647	2.6
174.06764	1.6
174.10374	6.5
175.07552	4.3
176.08275	7.1
176.11688	1.5
177.09065	7.6
179.10637	9.5
181.08582	26.0
186.10393	8.9
187.07541	5.2
189.09070	5.9
190.09877	2.7
191.10609	6.8
193.08583	7.0
193.12270	1.8
201.09061	5.1
202.09880	12.7
203.07019	2.6
203.10611	5.1
204.07805	2.4
205.08585	5.8
205.12202	18.8
215.10643	5.2
217.12230	35.1
218.09393	6.1
219.10121	5.5
233.09531	2.9
233.11711	28.7
237.09023	2.5
261.09091	1.7
264.11383	1.9
266.08963	1.7
268.10742	1.6
279.13745	1.5
280.10846	2.1
281.11661	3.1
297.11115	2.8
307.13181	3.9
309.11343	2.1
310.11636	1.7
311.12717	4.2
312.13208	7.8
322.15530	5.9
323.12704	2.4
324.13541	3.6
327.12286	2.8
327.15747	6.9
338.15213	4.3
339.15707	2.4
353.17447	14.6
356.15720	2.3
371.18469	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
50.89092	4.0
53.03926	6.1
55.01866	6.5
55.05513	30.3
57.03440	10.4
57.07070	19.9
59.05000	7.1
59.63578	3.7
60.02234	3.7
61.02920	10.8
65.03925	4.8
67.05513	20.2
69.03420	53.6
69.07067	33.3
71.01358	3.8
71.04990	7.5
71.47682	5.9
71.48019	4.9
73.02950	3.9
73.04753	14.7
79.05489	28.0
81.03416	27.8
81.07053	100.0
83.04974	45.9
83.08619	56.4
85.02905	77.6
85.06524	7.8
91.05847	42.5
93.07037	41.4
95.04960	17.1
95.08591	23.8
97.02894	39.1
97.06525	27.2
97.10139	4.3
99.04447	16.1
101.05961	5.1
105.07014	16.1
107.08580	45.8
109.02872	35.2
109.06496	73.0
109.10149	57.0
111.08085	22.2
119.08551	8.7
121.06503	6.2
121.10124	44.8
123.08073	19.3
123.11687	33.9
125.05984	5.4
125.09602	11.0
125.13248	9.5
126.78857	4.2
127.03908	57.2
127.07578	6.8
131.08585	4.7
133.02838	4.6
133.06435	5.5
133.10123	26.8
135.08011	20.3
135.11623	5.7
136.16862	3.7
137.09575	4.7
139.03864	5.6
139.07549	5.1
139.11169	7.0
145.04971	17.1
145.10146	5.4
147.11719	11.5
149.09683	4.8
149.13263	51.8
151.07610	4.2
151.11188	18.0
153.09079	13.1
163.14847	11.1
167.07043	4.6
167.14313	62.1
171.10120	5.1
173.13287	15.7
179.14270	3.8
181.12250	5.3
187.05977	8.3
191.14252	44.6
205.07034	12.3
209.04565	4.3
209.15364	53.2
231.36560	4.6
268.97696	9.2
285.00989	13.4
315.10507	4.3
353.19397	7.3
355.07068	9.8
371.16693	37.4
371.20731	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.0
55.01871	2.0
55.05511	10.4
57.03415	2.8
57.07079	6.0
59.05003	1.3
60.83485	1.0
61.02923	1.5
63.86426	0.9
65.03919	1.0
67.05495	4.8
69.03073	1.3
69.03421	15.9
69.06789	0.8
69.07067	11.0
69.62740	6.3
70.06583	1.0
71.01351	1.2
71.04976	3.1
71.08621	1.1
73.02905	1.1
73.04753	1.9
73.60646	0.8
79.05489	8.6
81.03416	10.1
81.07053	36.4
83.04975	11.5
83.08611	14.1
85.02898	25.2
85.06538	1.9
86.09716	1.1
91.05872	7.0
93.07034	12.2
95.04955	4.1
95.08613	7.3
97.02892	10.2
97.06496	4.4
99.04447	3.3
101.02370	1.0
103.03961	1.0
105.07025	5.0
105.76176	0.9
105.76911	1.0
106.04165	2.9
107.04914	1.8
107.08589	14.9
109.02867	9.5
109.06511	17.7
109.10144	11.8
111.04394	1.7
111.08076	5.1
115.03864	1.0
115.79899	0.8
117.07002	1.6
119.08571	4.1
119.40083	1.0
121.02856	0.9
121.06491	3.1
121.10139	11.4
123.08062	2.9
123.11687	10.3
125.05949	1.3
125.09626	2.4
125.13264	1.8
127.03902	17.5
127.07561	1.5
129.05473	1.1
131.08565	2.5
133.10139	4.0
135.08049	2.6
135.11668	2.7
137.05977	2.5
137.09608	1.9
139.03934	1.5
139.07552	1.7
139.11162	2.9
143.08621	1.1
145.04958	3.6
145.08592	1.1
145.10118	2.4
147.04433	1.2
147.08070	1.1
147.11732	1.4
149.05971	2.5
149.13242	17.0
151.03850	1.3
151.07495	1.3
151.11189	2.7
153.09108	2.7
155.06935	1.0
163.03860	1.3
163.07541	1.4
163.14836	2.2
167.07004	2.2
167.14304	23.7
169.04849	1.2
169.12227	1.1
169.21982	0.9
171.10207	1.5
173.13286	2.5
177.05402	1.3
181.12212	2.0
185.08049	1.2
187.06018	3.7
191.07065	1.7
191.14330	7.0
194.02039	5.0
205.07085	3.3
209.04427	7.9
209.08058	1.8
209.15378	15.8
230.10962	1.0
233.15434	1.4
268.97827	1.9
285.00906	2.9
335.18356	2.2
353.11450	1.8
353.15674	13.7
353.19687	2.0
355.07053	2.6
371.16724	100.0
371.20328	4.9
372.17126	4.1
389.18021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00734	2.0
53.03928	5.7
55.01868	4.3
55.05511	19.1
57.03416	6.0
57.07067	10.3
59.04982	4.1
61.02902	2.5
65.03918	2.1
67.05486	9.1
69.03148	1.8
69.03429	23.7
69.07060	19.1
71.04987	4.5
71.08636	2.8
72.30405	2.1
73.02880	2.5
73.04727	3.0
79.05482	19.6
81.03428	11.4
81.07049	69.6
83.04968	14.5
83.08141	3.2
83.08611	34.5
85.02882	22.1
85.06530	4.1
87.04470	2.5
91.05366	10.7
91.06284	1.9
93.07042	27.3
95.04948	13.9
95.08593	11.8
97.02871	9.4
97.06517	8.9
99.04445	8.6
99.08071	3.1
103.05500	2.0
105.07025	7.5
107.04941	8.5
107.08577	26.5
109.02828	5.7
109.06506	42.5
109.10139	25.9
111.04427	3.6
111.08057	14.7
117.06928	1.9
119.08544	8.6
121.06467	3.5
121.10125	24.6
123.04387	2.8
123.08054	5.3
123.11710	20.3
125.09608	4.0
125.13241	6.4
127.03915	16.7
127.07566	2.0
129.05452	3.8
129.06992	3.0
131.08577	4.4
133.10100	6.0
135.08032	9.1
135.11638	3.9
137.05980	5.0
137.09570	3.3
139.07497	2.9
139.11111	3.9
145.04942	3.9
145.10083	2.4
147.11673	4.9
149.09567	3.9
149.13229	36.2
151.03967	4.0
151.07579	2.1
151.11191	6.1
153.09061	12.2
157.10193	2.1
161.06007	3.2
161.13225	2.5
163.07491	2.5
163.11159	2.5
163.14896	4.5
165.09134	2.2
167.07028	8.9
167.14297	39.3
169.12212	2.9
171.10246	2.8
173.13266	5.3
175.11234	4.6
176.11491	4.9
191.07069	4.4
191.14278	15.4
192.10234	3.5
209.04430	3.3
209.11662	2.3
209.15326	20.4
210.14926	3.6
217.08636	3.0
268.97736	2.8
335.18561	2.5
353.19919	2.5
355.07007	2.4
356.17856	3.8
371.16711	100.0
371.20447	6.3
372.16855	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00734	2.0
53.03928	5.7
55.01868	4.3
55.05511	19.1
57.03416	6.0
57.07067	10.3
59.04982	4.1
61.02902	2.5
65.03918	2.1
67.05486	9.1
69.03148	1.8
69.03429	23.7
69.07060	19.1
71.04987	4.5
71.08636	2.8
72.30405	2.1
73.02880	2.5
73.04727	3.0
79.05482	19.6
81.03428	11.4
81.07049	69.6
83.04968	14.5
83.08141	3.2
83.08611	34.5
85.02882	22.1
85.06530	4.1
87.04470	2.5
91.05366	10.7
91.06284	1.9
93.07042	27.3
95.04948	13.9
95.08593	11.8
97.02871	9.4
97.06517	8.9
99.04445	8.6
99.08071	3.1
103.05500	2.0
105.07025	7.5
107.04941	8.5
107.08577	26.5
109.02828	5.7
109.06506	42.5
109.10139	25.9
111.04427	3.6
111.08057	14.7
117.06928	1.9
119.08544	8.6
121.06467	3.5
121.10125	24.6
123.04387	2.8
123.08054	5.3
123.11710	20.3
125.09608	4.0
125.13241	6.4
127.03915	16.7
127.07566	2.0
129.05452	3.8
129.06992	3.0
131.08577	4.4
133.10100	6.0
135.08032	9.1
135.11638	3.9
137.05980	5.0
137.09570	3.3
139.07497	2.9
139.11111	3.9
145.04942	3.9
145.10083	2.4
147.11673	4.9
149.09567	3.9
149.13229	36.2
151.03967	4.0
151.07579	2.1
151.11191	6.1
153.09061	12.2
157.10193	2.1
161.06007	3.2
161.13225	2.5
163.07491	2.5
163.11159	2.5
163.14896	4.5
165.09134	2.2
167.07028	8.9
167.14297	39.3
169.12212	2.9
171.10246	2.8
173.13266	5.3
175.11234	4.6
176.11491	4.9
191.07069	4.4
191.14278	15.4
192.10234	3.5
209.04430	3.3
209.11662	2.3
209.15326	20.4
210.14926	3.6
217.08636	3.0
268.97736	2.8
335.18561	2.5
353.19919	2.5
355.07007	2.4
356.17856	3.8
371.16711	100.0
371.20447	6.3
372.16855	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2059
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03930	4.8
55.01875	10.9
55.05503	31.9
57.03437	8.6
57.07050	1.3
58.31781	1.2
59.04984	2.0
61.02919	12.0
67.05494	7.2
69.03426	38.3
69.07060	5.1
69.58449	5.5
69.58869	3.2
70.03743	1.4
71.01356	1.6
71.04990	7.2
73.02917	8.3
79.05487	5.8
81.03410	14.2
81.07054	11.7
83.04977	49.3
83.08611	34.3
85.02898	60.6
85.06522	4.4
87.04464	7.4
91.03944	4.3
91.05470	4.0
93.07029	11.4
95.04969	15.5
95.08601	11.0
97.02882	26.1
97.06509	11.4
97.10158	4.0
98.41316	1.2
99.04446	8.3
99.08074	2.3
103.03954	9.0
103.04527	1.8
105.07033	6.3
107.08588	19.7
109.02871	9.4
109.06509	5.2
109.10149	15.8
111.04471	1.6
111.08070	7.2
113.06024	1.1
113.09624	2.2
115.03880	1.8
119.08574	5.0
121.06518	5.9
121.07279	1.2
121.10121	9.0
123.04411	2.5
123.08040	10.7
123.11694	5.5
125.05969	5.8
125.09612	11.7
127.03918	13.0
127.11172	1.4
131.08536	2.2
133.06523	1.3
133.10081	5.7
135.08040	3.4
135.11697	2.5
137.05994	3.7
137.09579	1.9
139.07567	2.2
139.11180	26.7
145.04956	6.0
145.10126	3.7
147.07999	1.8
149.09592	3.6
149.13239	3.8
151.07600	1.3
151.11163	41.7
153.09100	5.3
153.12714	1.2
155.10600	3.2
161.09595	1.8
163.07468	1.5
163.11191	2.9
165.09050	1.7
165.12625	1.5
167.07047	4.8
167.14302	43.0
169.12209	4.5
173.09541	1.4
173.13295	1.8
175.11136	1.8
179.14243	1.2
181.08702	1.3
181.12222	44.1
185.08093	7.5
191.10727	1.6
191.14352	4.4
195.10123	3.6
209.15347	100.0
210.15698	2.8
221.15388	2.1
233.15323	8.1
239.16447	1.8
251.12671	1.5
263.16382	2.7
275.16602	2.0
295.15359	2.1
313.16370	2.9
317.17447	1.3
335.18430	5.2
353.19424	1.7
371.16635	32.4
371.20685	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	371.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
55.01860	11.0
55.05505	27.5
57.03422	8.8
57.07068	1.3
58.06578	4.2
59.04976	1.7
61.02922	9.1
67.05489	7.3
69.03420	39.5
69.07046	4.6
69.39615	10.4
71.04971	5.0
73.02898	4.9
79.05490	6.1
81.03403	13.5
81.07047	12.0
83.04971	47.7
83.08611	34.0
83.09110	1.5
85.02898	60.2
85.06536	3.0
87.04457	8.0
91.03963	2.8
91.05414	2.5
93.07029	10.2
95.04947	7.0
95.08603	10.4
97.02888	27.3
97.06541	9.1
97.10130	3.8
99.04436	4.8
99.08062	1.8
103.03944	6.6
105.07030	5.8
107.04946	1.9
107.08577	16.8
109.02859	9.7
109.06491	5.1
109.10133	11.0
111.04439	2.4
111.08059	8.0
113.06000	1.4
113.09615	1.6
115.03959	1.6
117.06983	1.9
119.08543	3.9
121.06464	3.2
121.10140	10.1
123.04384	1.6
123.08066	10.2
123.11705	5.0
125.05968	4.5
125.09625	9.9
127.03911	12.2
127.11158	2.7
131.08490	1.3
133.10110	5.7
135.08015	2.4
135.11699	2.1
137.05975	3.7
137.09633	1.8
139.07503	1.5
139.11165	28.2
141.05362	1.1
141.37138	1.0
142.61325	1.0
145.04935	8.5
145.06468	1.5
145.10098	3.6
147.08002	2.5
147.11674	1.9
149.05878	2.0
149.09605	4.2
149.13234	2.9
151.11174	31.4
153.09056	3.5
155.10629	2.7
159.11732	2.3
161.09587	1.4
163.07500	1.5
163.11081	1.7
167.07034	5.6
167.14304	39.1
169.12236	5.3
171.10057	2.0
173.13161	1.9
175.11147	2.3
181.12227	47.2
182.12547	1.7
185.08134	6.4
191.10591	1.7
191.14293	5.6
195.10143	2.9
197.15309	1.3
209.15347	100.0
210.15685	1.8
221.13098	1.1
221.15312	3.2
233.15314	6.4
237.14856	1.3
247.16774	1.4
263.16449	2.4
275.16476	3.2
276.06201	1.2
277.14420	1.2
281.17847	1.2
295.15372	2.0
299.16211	1.4
313.16281	1.5
317.17365	2.1
335.18457	3.8
371.16092	4.3
371.20572	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	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.01880	1.0
55.05510	2.7
56.02864	1.1
56.98729	1.0
57.03423	3.5
57.07077	1.4
58.06580	2.9
61.02911	3.1
67.05486	3.2
69.03426	15.2
69.07052	2.5
71.04977	3.0
71.13563	1.6
73.04745	1.2
76.53009	1.3
79.05471	4.5
81.03414	8.3
81.07054	6.5
83.04999	4.9
83.08614	2.3
85.02900	26.6
87.04452	1.9
91.05473	3.3
92.26141	1.1
93.07038	5.2
95.04940	7.8
95.08615	6.4
95.09140	1.4
97.02893	9.9
97.06523	1.5
99.04448	2.8
99.08068	1.4
100.11256	2.7
105.07030	8.1
107.04958	4.7
107.08576	8.9
109.02875	3.8
109.06519	8.8
109.10140	3.5
111.04447	1.2
117.07018	1.0
119.04905	1.1
119.08566	6.2
121.02788	1.1
121.06484	2.8
121.10120	11.5
122.07310	1.6
123.04397	1.3
123.08047	5.2
123.11700	3.4
125.05888	1.4
125.09571	1.1
127.03918	6.3
128.06262	1.3
129.07010	2.6
131.04944	1.4
131.08531	2.6
133.06433	1.0
133.10129	4.3
135.08084	3.2
135.11670	1.3
137.05962	6.6
137.09605	9.5
137.13266	1.5
145.04944	5.5
145.10095	2.9
147.04413	1.2
147.08112	1.2
147.11670	3.0
149.09593	10.7
149.13249	3.9
151.03894	2.4
151.11179	16.7
153.09094	2.5
157.06447	2.0
161.05986	2.0
163.11189	1.6
163.14848	1.3
165.05522	2.0
165.12743	40.6
167.07060	7.9
173.13277	4.1
173.48502	1.0
175.07567	2.8
181.05034	1.5
187.07521	3.5
189.09085	3.3
191.07060	1.7
191.14290	16.0
192.18849	0.9
193.08603	1.0
193.15862	1.5
201.09109	2.3
209.15349	100.0
217.08586	3.2
218.07268	2.0
219.07982	1.8
219.10023	1.3
231.07985	1.9
233.09731	1.8
235.07355	1.8
246.06938	1.2
248.08209	1.7
249.09087	4.1
251.10565	1.2
259.86053	1.2
260.08044	1.3
261.09131	6.3
262.09711	1.2
263.06976	2.2
265.08502	1.3
277.08566	8.6
278.09369	3.4
279.10333	2.2
285.00998	1.3
291.10162	2.0
293.08301	1.6
293.11728	2.9
307.09671	2.4
308.10425	1.2
309.11237	2.9
311.12576	1.6
317.21088	1.1
321.11136	3.3
339.12253	12.6
341.13861	2.5
353.13828	4.1
371.14777	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	371.2058
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
57.03421	2.1
61.02924	3.4
67.05489	2.5
69.03434	11.3
69.07081	1.8
69.40491	15.0
71.04991	1.9
73.02912	1.6
73.56696	1.7
76.69904	1.5
79.05467	2.5
81.03403	6.3
81.07066	3.2
85.02901	28.3
93.07025	2.1
95.04984	3.1
95.08588	4.6
97.02869	7.2
97.06524	1.8
99.40901	1.9
105.07044	2.8
107.08588	6.3
109.02875	2.7
109.06493	4.2
119.08544	1.9
121.10123	8.8
123.08048	4.5
123.11709	2.9
127.03915	3.3
133.10097	1.5
134.60808	1.7
137.09610	10.9
145.04932	5.7
149.09612	7.6
149.13243	5.6
151.11177	15.2
165.12724	39.0
166.13002	1.9
173.13271	2.2
191.14236	13.9
197.77428	1.7
209.15344	100.0
211.59401	1.6
222.19800	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	13.6
58.69918	12.7
69.03387	19.3
69.07039	16.6
71.48405	21.3
71.48740	17.1
81.03399	16.6
81.07018	21.7
85.02903	20.1
93.07024	32.2
95.04952	100.0
95.08587	35.2
99.04430	31.5
105.07038	31.0
107.08568	50.4
109.10106	30.0
110.62843	13.2
121.10108	44.6
125.09617	26.3
133.10139	34.7
137.05946	21.4
145.10083	20.3
147.11610	18.9
151.11151	98.9
153.09111	29.7
156.88921	13.3
163.14716	24.9
167.92119	16.2
173.13228	25.0
191.14253	99.5
209.15359	69.5
244.63644	13.0
319.08057	19.1
351.28622	15.6
371.14856	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	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
54.63657	0.8
55.01866	2.2
55.05497	2.8
57.03431	2.2
57.07067	1.4
61.02920	1.5
64.36677	0.8
64.71777	0.9
65.03928	1.2
67.05483	4.5
69.03063	1.2
69.03416	10.7
69.07052	7.4
70.78059	2.1
71.04971	3.1
73.02917	1.5
79.05478	4.9
81.03416	7.1
81.07052	8.0
83.04942	1.1
83.08590	2.3
85.02895	100.0
85.06522	3.1
86.21320	0.9
91.05432	7.1
93.07041	6.5
95.04956	3.5
95.08591	6.9
97.02871	5.9
97.06509	4.7
99.04443	1.8
99.64959	1.0
101.05954	1.0
103.05456	2.0
105.07043	6.8
107.04961	5.4
107.08589	6.4
109.02912	4.4
109.06509	3.4
109.10143	4.6
111.04414	1.4
111.08064	1.9
111.11731	1.8
113.05994	1.6
115.05457	2.2
115.24342	0.9
117.06980	2.0
119.04958	5.4
119.08543	3.3
121.06494	2.6
121.10127	8.0
123.04419	20.3
123.08045	1.9
123.11686	3.3
125.05981	1.2
127.03888	7.2
129.06989	3.3
131.04890	2.3
131.08559	2.3
133.06470	1.7
133.10109	16.7
135.04390	1.5
135.08034	4.3
135.11662	1.5
137.05960	10.2
145.04921	1.7
145.06468	1.7
145.10123	2.6
147.04382	14.0
147.11656	4.4
149.05968	2.9
149.09639	1.8
149.13251	4.4
151.03944	5.9
151.07547	3.0
151.11139	3.3
156.05733	1.3
157.06471	2.1
159.08061	1.1
161.05971	3.2
161.09677	1.3
162.06735	1.4
163.03911	2.6
163.07515	1.2
163.11183	1.1
165.05502	9.2
165.06873	2.1
167.07030	11.2
173.05969	1.8
173.13260	5.0
174.06836	1.5
175.03923	2.1
175.07516	2.8
176.04681	7.9
177.05499	11.9
178.07759	1.3
179.06958	1.3
179.08412	1.6
181.04956	3.5
181.06401	1.9
187.07494	2.8
189.07094	1.4
189.09099	2.8
190.07764	1.3
191.06969	3.2
191.08545	1.1
191.10669	1.1
191.14268	12.9
193.08562	1.6
195.08093	2.1
197.05873	1.0
198.06696	1.0
201.09048	2.6
203.08571	1.1
205.06413	1.3
205.08522	1.4
206.07179	1.7
207.06464	2.6
207.08194	1.7
208.06885	1.4
209.06078	1.3
209.09613	1.3
209.15343	48.2
211.07463	1.8
217.08463	4.4
218.07262	2.5
219.08142	1.8
219.10110	20.5
219.75134	1.0
221.06065	1.1
221.07993	1.2
222.06711	1.6
223.07448	1.9
224.08383	1.3
225.09067	2.0
233.09627	2.5
234.06706	2.5
235.07501	4.7
236.08324	2.1
237.05515	2.5
237.09117	2.2
238.09689	1.0
239.06982	1.2
239.10660	1.4
241.08624	3.3
247.07555	2.5
248.08296	1.5
249.09084	6.1
249.11339	1.5
250.09793	1.5
251.07062	3.5
251.10576	1.8
252.07730	7.3
253.08508	3.3
261.09143	4.4
262.06293	1.5
262.09628	1.4
263.06952	3.9
264.07767	3.4
265.08493	4.6
266.09323	2.8
267.10013	3.3
268.10822	1.1
269.08041	2.8
273.41455	1.1
277.08527	8.2
278.09326	4.1
279.06866	1.8
279.10120	3.4
280.07269	3.3
281.08102	2.2
281.11554	1.8
282.08984	1.4
283.09561	1.1
284.10498	2.1
285.07782	1.6
285.11139	2.9
289.08450	1.2
291.10037	1.4
293.08237	2.2
293.11633	4.8
294.08612	1.5
295.09515	6.1
296.10367	6.0
297.07724	1.4
297.11099	3.1
300.09985	1.1
307.09741	2.9
308.10645	1.2
309.11255	4.1
311.09079	3.3
311.12717	5.1
312.09824	3.0
313.10571	1.4
321.11172	6.3
323.09103	1.5
324.09863	1.2
325.10696	2.3
326.11221	1.8
327.12241	19.1
328.12854	2.3
329.10175	4.2
335.18506	8.1
339.12271	27.1
340.12863	3.9
341.13565	1.7
343.15549	5.1
353.14023	7.7
353.19730	3.5
355.07068	1.1
371.14871	35.8
371.20566	31.2
372.15363	4.2
372.20654	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20266	1.7
55.05502	7.4
57.07058	2.9
65.56087	2.0
67.05492	11.3
69.07050	8.4
69.25916	1.8
70.12280	6.5
70.12666	3.4
79.05470	7.2
81.07053	16.1
82.21222	1.8
83.04977	1.9
83.08613	3.7
85.06529	2.8
91.05466	8.0
93.07015	10.8
95.08595	16.9
97.06464	1.9
97.10132	2.8
105.06990	13.7
107.04937	6.9
107.08567	18.2
108.05730	2.2
109.10168	11.3
119.08573	15.5
121.06498	5.0
121.10157	14.3
121.15974	1.8
123.11688	5.9
131.08632	4.9
133.10094	9.1
135.04384	2.7
135.11664	8.7
136.05241	2.7
137.13242	2.8
145.06522	3.6
145.10104	7.8
146.07246	3.2
147.07971	2.0
147.11629	9.1
149.13249	4.7
150.06769	4.9
151.07526	100.0
159.08044	6.1
159.11646	12.3
160.08823	7.8
161.13268	10.6
165.05475	5.0
165.09094	34.5
172.08815	3.2
173.09598	2.5
173.13251	4.4
174.10414	5.3
175.07603	3.5
175.14778	9.8
176.08311	4.1
177.09102	13.4
179.10579	2.7
187.14818	2.1
188.08321	6.2
189.09103	7.8
189.16447	4.5
190.09763	2.7
191.10580	19.7
201.09120	6.4
202.09856	3.8
203.10664	19.3
205.12215	24.3
207.13841	2.6
215.10637	10.9
215.17906	11.8
217.12277	8.6
229.12233	7.0
231.13687	4.1
233.18901	4.7
241.12206	6.7
243.13701	4.5
245.15305	2.8
255.13901	4.0
257.15405	3.2
271.16919	4.2
297.18478	8.3
311.19720	2.7
315.19791	2.1
353.24750	23.5
371.25766	69.0
372.26086	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.6
67.05487	11.6
69.07069	21.8
69.61533	8.5
69.61964	13.6
71.04988	3.0
79.05486	8.1
81.07067	14.7
83.04956	3.6
83.08606	6.5
85.06535	8.2
91.05460	18.3
93.07028	14.8
95.08601	14.0
99.08066	9.6
105.07040	9.1
107.08571	14.1
108.05742	7.0
108.16673	2.8
109.10152	12.8
119.08587	6.8
121.06527	3.4
121.10152	14.0
123.11709	9.0
129.48068	3.5
132.27377	3.4
133.10117	3.7
135.11659	4.2
135.95833	3.2
136.05164	4.5
145.06442	4.2
146.07324	4.9
147.11688	4.3
149.13255	6.6
150.06761	3.4
151.07536	100.0
152.07944	4.2
158.07310	3.9
159.07965	3.9
163.14792	3.8
165.05455	8.3
165.09071	24.0
172.08826	3.1
174.06740	5.2
174.10457	2.9
175.07536	3.9
175.14749	4.7
176.08321	4.4
177.09085	13.2
179.10686	3.9
181.16908	2.9
187.07530	5.3
187.14761	3.0
188.08333	9.8
189.09099	21.5
189.16331	6.4
190.09837	7.0
191.10617	10.1
201.09077	13.4
202.09955	6.3
203.10701	24.0
205.12273	10.3
213.09059	3.6
215.10674	12.8
215.17801	4.6
217.12210	8.6
219.13780	6.8
223.11127	3.4
226.09862	3.0
227.10675	4.1
229.12204	14.7
231.13838	6.9
241.12202	6.6
243.13802	5.4
245.15465	5.3
254.13063	4.1
255.13809	6.2
257.15344	6.0
269.15274	6.9
271.16861	5.6
283.13577	3.6
283.16821	3.8
297.15442	3.0
297.18457	16.0
311.20093	11.0
313.21521	16.9
325.14313	4.5
353.17361	4.0
353.24783	29.5
371.18408	3.9
371.25815	54.9
371.40622	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	371.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	5.4
57.07057	4.3
64.98473	1.5
67.05493	9.0
69.07059	14.8
70.56363	4.5
70.56718	2.2
71.04984	3.3
79.05492	7.8
81.07046	20.9
83.05001	2.5
83.08607	4.0
85.06522	6.5
91.05431	7.2
93.07040	16.7
95.04966	1.6
95.08596	17.3
97.10165	1.7
99.08105	1.7
105.07006	7.3
107.04919	4.2
107.08601	10.4
108.05706	2.7
109.10162	12.5
113.09644	15.3
117.06966	2.0
117.26811	1.6
119.08578	8.6
121.06481	3.9
121.10117	18.5
123.11715	8.9
123.12467	1.5
129.06941	2.3
130.14900	1.6
131.08588	3.6
133.06496	2.1
133.10103	6.4
135.04353	3.0
135.11697	3.7
136.05183	4.6
137.05937	2.4
137.13196	4.2
139.11143	4.8
145.06435	4.9
145.10089	2.7
146.07259	7.8
147.07976	2.2
147.11662	5.5
149.13229	7.1
150.06772	1.9
151.07527	100.0
158.07251	3.3
159.07922	4.1
160.08813	4.1
161.05974	1.8
163.14835	2.0
165.05458	3.5
165.09096	15.6
167.06989	1.9
171.08076	1.9
172.08807	3.9
173.05928	1.5
173.09554	2.6
173.13199	2.4
174.06836	7.8
174.10298	2.0
175.07512	4.5
175.14734	11.3
176.08359	3.1
177.09099	31.5
177.16330	1.8
179.10651	5.5
184.08728	1.7
186.10320	2.9
187.01520	1.4
187.07512	2.1
188.08232	7.0
189.09091	23.1
189.16333	6.1
190.09805	2.8
191.10689	16.3
201.09161	9.3
202.09816	8.8
203.10626	26.1
204.11185	2.7
205.12230	10.5
207.08163	1.5
210.10338	1.9
212.11978	1.9
214.09843	2.6
215.10661	8.8
215.17909	4.4
216.11360	4.1
217.12233	15.6
218.12891	2.6
219.13708	7.6
229.12219	9.0
230.12740	1.7
231.13763	11.0
233.18874	2.5
241.12094	4.1
243.13792	6.0
245.15331	14.4
255.13771	3.6
257.15259	3.9
259.16949	3.6
269.15463	2.8
271.16995	2.7
273.14902	1.6
283.16873	5.1
285.18320	2.4
287.16324	1.9
287.20111	3.0
297.18539	8.5
301.18011	2.0
301.21524	2.1
311.19757	4.0
313.21585	17.7
325.14267	2.0
353.24643	11.4
371.25726	50.2
372.25851	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	371.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.8
57.07053	2.3
62.24630	1.2
67.05500	6.9
69.07065	12.9
69.19154	1.4
69.19459	14.8
71.04980	3.8
75.36758	1.1
79.05499	6.6
80.06242	1.1
80.24960	1.2
81.07047	18.9
83.04988	2.0
83.08598	4.6
85.06544	7.6
91.05470	5.7
93.07032	13.0
95.08587	13.5
95.17157	1.3
97.10154	1.5
99.08073	3.5
105.07012	7.0
107.04929	3.5
107.08569	11.8
108.05750	1.5
109.10145	10.2
109.11707	1.2
113.09619	9.3
117.07005	3.0
119.08590	7.4
121.06499	3.1
121.10133	16.4
123.11694	10.4
131.08553	2.3
133.10127	6.4
135.04405	2.2
135.11679	4.9
136.05199	5.0
137.05937	1.7
137.13235	4.2
139.11179	3.9
145.06490	3.3
145.10094	2.8
146.07268	8.8
147.07971	2.9
147.11658	4.5
149.09616	1.5
149.13213	6.3
150.06752	3.5
151.07529	100.0
152.07845	1.9
158.07295	2.9
159.08032	3.5
159.11655	2.2
160.08836	2.6
161.05952	1.3
162.06714	1.8
163.07431	1.3
163.14793	3.3
165.05450	5.0
165.09106	12.8
171.08095	2.3
172.08829	2.6
173.06136	1.3
173.09633	2.3
173.13235	1.6
174.06760	5.3
174.10381	3.5
175.07484	3.1
175.14836	8.1
176.08290	3.1
177.09088	37.9
179.10677	4.7
185.09595	2.6
186.10365	1.7
187.07536	2.8
188.08234	7.4
188.11957	1.2
189.09085	23.4
189.14934	1.2
189.16412	5.5
190.09830	3.6
191.10629	10.5
193.12288	2.1
196.08975	1.4
201.09091	9.2
202.09850	4.9
203.10652	26.6
204.11342	2.5
205.12190	5.9
207.17528	1.9
210.10439	1.4
211.11235	2.2
212.11957	1.7
215.10626	11.8
215.18011	4.7
216.11356	2.6
217.12239	9.8
218.12897	2.0
219.13751	6.0
223.11197	1.4
229.12129	12.3
231.13786	9.7
233.19006	1.7
240.11356	1.7
241.12196	6.3
243.13724	7.4
245.15308	11.4
247.13290	2.7
253.12213	1.7
254.12929	2.0
255.13846	5.0
257.15356	4.6
259.16855	5.1
269.15378	3.9
270.16129	1.5
271.16888	2.6
283.16895	4.7
287.16452	2.3
287.20081	1.2
297.18524	8.5
301.17908	1.4
301.21332	1.8
311.19934	7.5
313.21530	11.5
315.19565	1.4
338.22342	1.4
353.24799	16.2
371.25766	44.5
372.26093	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	372.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01858	1.7
55.32442	0.8
56.96565	1.5
57.03419	2.3
60.16188	0.7
61.02909	3.5
69.03425	8.4
71.04983	2.2
71.52497	0.7
71.52903	0.9
72.04504	1.6
73.02917	1.1
73.04762	2.5
77.23689	0.7
79.05469	1.0
81.03407	3.0
85.02896	19.9
87.04427	1.2
91.05839	11.0
91.53930	0.8
92.05696	1.1
95.04961	0.9
97.02879	7.4
99.04422	1.3
103.03986	0.8
103.05446	3.7
105.07012	6.0
107.04974	1.8
109.02851	2.5
111.04362	1.0
116.98621	1.2
117.06988	2.0
118.06500	1.0
119.07299	3.7
120.08114	5.7
123.04385	1.1
127.03921	3.2
129.06984	2.8
131.04898	2.8
135.04448	1.1
145.04929	2.4
146.09601	5.4
147.04401	1.2
151.03844	1.1
152.07129	1.4
153.05556	0.8
163.03902	2.7
163.07480	0.9
164.10701	100.0
165.05354	0.9
165.11040	2.8
167.06981	1.4
168.35034	0.9
179.03499	0.9
180.06363	1.4
192.06500	1.8
192.10144	1.1
195.06474	1.4
197.07947	0.9
210.07707	4.0
210.11234	97.0
211.11523	2.6
237.02773	0.9
240.09656	1.1
252.09303	1.4
269.97800	1.6
270.97510	0.8
272.31598	0.8
285.00854	1.6
286.00952	2.9
304.02115	1.0
354.12094	1.0
356.07037	2.6
367.21432	0.9
372.12338	4.1
372.16528	3.6
373.16699	1.1
374.07791	0.9
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
53.03940	5.3
54.37988	1.9
55.01865	3.5
55.05493	6.8
57.03429	5.5
57.07050	2.2
58.06601	14.1
59.04999	3.5
60.04523	16.8
61.02913	6.6
67.05489	5.9
69.03425	21.5
69.94576	10.5
70.06575	1.8
71.04989	3.3
73.02897	3.6
73.04745	1.7
75.53844	1.6
79.05477	5.0
80.05020	1.6
80.18572	1.6
81.03412	10.1
81.07066	12.1
83.04974	3.8
83.08624	6.1
85.02898	40.2
87.04488	3.9
91.03958	2.3
91.05410	11.4
93.07037	38.6
94.06551	7.2
95.04961	7.7
95.07341	2.4
95.08607	3.6
97.02888	16.5
99.04454	3.1
100.07612	21.9
105.06979	8.8
107.08578	20.4
108.08107	9.1
109.02885	7.1
109.06512	22.0
109.10158	19.6
111.08073	73.2
115.05445	2.8
116.95686	1.8
117.07003	5.3
119.07298	3.9
119.08618	1.7
121.10128	3.4
122.09663	24.0
123.11690	17.7
124.11247	5.1
127.03900	8.0
131.08496	3.1
133.10120	19.0
134.09642	87.2
135.08038	5.4
135.10425	2.4
135.11674	3.2
136.07501	3.4
137.08360	3.3
137.11992	5.3
145.04980	7.4
148.11166	2.4
149.11957	1.9
150.09129	4.3
150.12788	9.4
151.11166	57.7
152.10687	100.0
153.09122	14.7
153.10988	2.4
159.10435	3.6
162.09143	5.2
174.12776	10.8
175.11203	3.9
177.11455	6.5
178.08623	7.3
192.13817	81.2
193.12181	4.8
196.76280	1.6
203.05243	3.0
210.14830	28.7
211.15088	1.7
229.35997	1.8
314.15958	15.7
354.15787	3.6
372.16559	28.0
372.20184	86.7
373.14746	3.8
373.18262	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92480	0.2
53.03921	0.9
60.30955	0.3
65.03928	0.3
66.04699	0.6
66.52778	0.3
67.05499	0.4
68.99759	0.3
69.03398	0.9
79.05485	2.3
81.03403	0.4
81.07039	0.8
90.97636	0.3
91.05463	1.1
94.04182	1.6
95.04934	1.4
98.61999	0.3
105.03347	0.5
105.04472	0.4
105.06981	0.3
107.04951	1.0
109.02865	0.4
109.06536	1.4
111.04393	0.3
119.04937	0.8
119.08601	0.3
121.02928	0.3
122.03627	2.2
126.03121	0.6
131.04898	0.4
135.04399	0.4
135.08014	0.4
137.06020	1.4
144.05644	0.4
145.06483	0.6
147.04382	2.4
150.06760	0.3
151.07507	2.5
155.07018	4.9
158.07253	0.5
159.07990	0.3
160.08844	1.1
161.05867	0.4
163.07500	0.6
165.05450	100.0
166.05769	2.8
173.05954	0.7
174.06741	0.9
174.74734	0.3
176.08366	0.7
179.07004	0.5
179.10670	0.3
189.09131	1.5
191.10646	1.8
193.08659	0.4
207.10178	1.0
211.07542	0.3
217.08536	2.3
228.45044	0.4
235.09624	63.6
236.09959	2.0
281.11548	0.3
296.14090	0.4
297.11288	0.4
327.15787	0.6
340.12930	0.5
345.04562	0.6
355.15173	0.6
373.16165	2.1
373.23502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1831
Annotation	17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
Peak:m/z	Relative Intensity
55.05486	0.4
67.34407	0.3
69.03412	0.6
69.07042	0.3
70.06588	0.5
71.04961	0.3
71.52004	0.5
73.02896	0.3
78.93258	0.2
79.05488	0.5
81.03400	0.3
81.07053	0.5
83.04961	1.5
83.06083	0.3
85.02888	1.1
89.36362	0.3
91.05469	0.4
93.07029	0.5
95.08588	0.4
97.02865	0.5
97.71870	0.3
101.06004	0.6
105.06996	0.3
107.04947	0.9
107.08572	0.3
109.10117	0.9
111.04408	0.3
112.07565	0.4
119.08566	0.4
121.06457	0.3
121.10076	0.3
123.04439	0.9
124.07583	1.7
137.05972	1.1
137.09589	1.2
138.09114	0.6
139.03896	0.9
147.04373	0.3
151.03882	0.8
153.05336	0.3
161.05943	0.4
163.07536	0.5
165.05470	0.3
167.07022	0.5
168.07683	0.4
177.05443	1.2
193.15910	0.8
195.10199	0.3
203.05353	0.3
205.04869	0.3
211.13083	0.9
212.12819	0.6
217.23959	0.4
222.07767	0.4
329.15738	0.3
373.18289	100.0
374.18579	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	373.183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.4
61.02918	0.4
66.91742	0.3
67.05450	0.3
69.03406	1.1
69.07036	0.3
70.06596	0.5
70.96912	0.4
70.97267	0.7
75.85264	0.3
80.52927	0.3
81.03411	0.4
85.02879	1.9
85.07652	0.3
86.09711	0.3
91.05446	0.5
93.07034	0.5
95.04971	0.5
97.02888	0.7
107.04943	0.8
107.08577	0.4
109.02827	0.3
109.10122	0.3
110.48418	0.3
117.03374	1.3
117.07021	0.3
119.04954	0.4
123.04419	0.7
127.03857	0.7
131.04851	0.3
134.96542	0.3
135.04486	0.5
135.08005	0.4
137.05957	0.9
145.02834	3.3
147.04437	0.5
149.05951	0.5
163.03877	0.7
163.07591	0.5
163.11191	0.3
167.06947	0.5
177.05453	7.0
177.06897	0.6
193.12148	0.6
195.06482	2.7
211.13031	0.5
241.31314	0.3
355.16031	0.5
373.18301	100.0
374.14270	0.5
374.18597	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.8
57.03432	0.9
61.02920	0.9
69.03426	2.0
69.82731	1.5
69.83148	3.3
81.03410	1.3
85.02899	4.4
89.03925	0.7
91.05876	7.2
93.05478	1.2
93.07034	1.2
97.02885	2.7
98.97564	2.3
102.96935	1.2
107.04951	1.6
109.02892	0.9
116.98612	1.1
119.04942	4.7
123.04426	1.5
127.03867	1.3
131.04933	1.1
134.99678	1.4
135.04346	1.0
135.08052	0.9
135.11679	1.0
137.05977	3.5
145.02863	1.1
145.04953	1.0
147.04401	14.6
149.05978	1.4
150.09184	0.7
151.07510	1.2
161.03036	1.0
163.03882	1.8
167.07065	1.2
171.03220	0.7
176.07068	2.4
177.00740	0.8
177.05408	1.2
184.42232	0.7
195.06618	1.0
198.99022	0.9
203.05200	1.3
212.09235	1.2
219.01663	0.9
229.00031	1.6
236.98972	1.5
253.12828	1.4
254.99948	1.2
269.10406	0.9
270.97610	2.2
284.08475	0.8
287.00797	1.6
324.52747	0.8
356.13525	1.0
357.06882	1.6
373.18304	100.0
374.04660	0.8
374.14633	0.9
374.18735	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.9
55.05485	0.7
57.03439	0.7
66.04707	0.9
67.05511	0.7
69.07075	0.8
70.91489	1.9
73.24986	0.7
79.05460	3.3
83.04990	0.9
91.05470	6.8
93.07015	1.5
94.04178	1.2
95.04980	1.6
95.35126	0.7
103.05490	1.8
105.07027	2.8
107.04940	4.4
108.05720	2.1
109.06524	1.7
117.06994	1.3
119.04938	1.3
119.08570	0.8
121.06481	4.4
122.03653	1.3
123.04406	1.0
123.08105	0.8
124.05186	4.6
131.04886	0.8
132.05681	1.0
133.06519	0.9
135.04390	3.3
135.08032	2.8
136.05194	6.3
137.05974	1.9
138.06728	3.7
139.07535	17.3
145.06572	0.8
146.07265	2.0
147.08083	3.3
148.08862	1.5
149.05957	2.2
150.06746	3.0
151.07529	100.0
152.07869	4.7
153.05440	1.6
155.07030	2.6
159.08064	1.3
160.08838	2.4
160.97002	0.7
161.05965	1.3
162.06775	1.3
163.07550	2.7
164.08315	6.3
165.05461	26.3
165.06642	1.1
165.09097	18.3
165.10475	1.0
166.05830	2.7
167.07025	14.6
171.08022	1.1
176.08337	3.1
177.09062	4.9
178.09923	0.9
179.10660	30.6
180.11069	0.8
181.08582	1.7
186.10370	3.9
187.07532	2.7
188.08296	1.5
189.09143	1.0
190.09929	0.9
191.10634	7.6
193.08542	1.5
193.19547	0.7
195.10120	4.7
202.09904	7.5
203.10614	2.3
217.12206	16.9
218.12688	0.8
233.11761	0.7
235.13263	39.4
236.13676	1.6
254.09372	0.8
295.13248	1.1
314.11102	0.9
329.13281	0.8
341.13797	1.0
355.18930	2.1
373.23688	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.2
55.01859	0.8
55.05480	1.3
57.03424	0.7
65.03927	1.8
65.72093	0.8
67.05479	2.5
69.03396	0.9
69.07048	1.7
70.22546	0.8
71.04965	0.9
71.52946	0.7
71.53320	1.0
73.33231	0.7
75.04475	1.5
78.04725	0.8
79.05473	5.5
81.03403	1.3
81.07045	4.0
83.04948	1.2
83.08619	1.0
84.93810	0.7
85.02909	0.9
91.05454	10.7
93.07022	3.6
94.04168	1.2
95.04955	2.5
95.08578	3.2
102.43953	0.8
103.05460	3.4
104.06214	0.9
105.07014	5.7
107.04945	8.7
107.08591	2.8
108.05739	3.7
109.02849	1.2
109.06483	1.6
109.10146	2.0
110.03649	0.8
111.04414	1.4
115.05459	2.6
117.07008	2.9
118.04103	0.8
119.04931	1.2
119.08543	2.0
121.06489	9.6
122.03662	1.0
123.04399	2.7
123.08083	1.1
123.11710	0.9
124.05104	0.6
125.06008	0.9
128.06197	0.8
129.06996	1.6
129.67226	0.7
131.04912	2.9
131.08554	1.9
132.05679	1.6
133.06467	2.9
133.10112	2.1
134.07286	0.9
135.04378	4.3
135.08046	2.7
135.11671	1.3
136.05182	12.0
137.05943	13.3
137.09602	1.1
138.06696	3.3
139.03952	0.9
139.07523	2.4
139.36415	0.7
140.72037	0.8
142.07759	0.8
143.08556	1.1
145.06448	3.2
145.10127	2.4
146.07310	3.6
147.04366	1.0
147.08041	4.1
147.11665	0.7
148.08789	1.9
149.05968	3.3
149.09567	0.8
150.06734	4.7
151.03917	2.8
151.07523	100.0
152.07892	3.1
153.05461	2.1
155.07056	1.3
155.08447	0.7
158.07262	1.6
159.08054	2.7
159.11673	1.0
160.08853	3.0
161.05968	3.1
163.07506	3.7
164.08328	6.1
165.05460	9.4
165.06738	1.2
165.09087	14.5
166.05824	4.1
167.05884	1.9
167.07166	4.0
169.06436	0.8
171.08080	1.8
173.06050	1.8
173.09575	2.5
174.06755	1.1
174.10403	1.1
175.03905	1.1
175.07568	2.6
176.08261	0.8
177.05496	1.8
177.09096	8.5
179.10657	43.4
180.10982	1.5
181.04953	9.4
181.08586	2.5
186.10374	2.4
187.07521	3.5
188.08356	4.0
189.07248	0.6
189.09064	4.7
191.06975	2.0
191.10667	8.5
193.08502	1.1
195.06519	1.0
195.08394	1.4
195.10152	25.5
201.09116	0.8
202.09866	5.2
203.10669	1.6
205.08586	1.1
205.12184	3.8
211.07468	1.1
217.08624	1.0
217.12219	18.1
219.06392	1.2
219.10124	1.6
221.11687	0.9
222.10214	1.1
223.07538	0.8
229.12236	0.8
235.07494	1.1
235.11238	0.8
235.13182	1.1
237.09047	0.8
239.10588	1.4
251.06857	1.0
253.08517	1.0
255.10220	1.1
265.43890	0.8
269.11731	1.0
277.12152	0.8
279.13626	0.8
281.11664	1.0
283.09573	0.8
291.13779	1.3
292.14627	1.1
293.11566	1.4
295.09799	1.0
295.13226	1.5
299.16345	1.4
308.13959	1.8
309.14755	1.0
312.09933	0.9
313.10709	1.4
323.12814	0.9
323.16412	2.0
327.12192	0.8
341.13864	1.4
341.17450	3.9
343.11612	0.9
345.13287	2.4
355.15323	1.5
355.29733	0.9
373.12723	2.2
373.16196	2.5
373.20227	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	373.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05685	0.8
55.05487	3.6
59.34183	1.0
61.39869	0.9
67.05486	3.8
69.07034	4.1
74.22784	1.0
79.05507	5.0
81.07034	3.8
83.08606	1.3
85.48310	1.0
91.05470	8.1
91.06584	1.2
93.07015	2.7
94.04149	1.3
95.04970	2.2
95.08573	2.5
97.10136	1.0
103.05434	1.5
105.04528	1.0
105.06998	4.2
107.04945	7.8
107.08556	2.5
108.05722	2.9
109.06561	1.3
109.10133	2.3
115.05463	1.5
117.06999	2.1
119.08565	2.6
121.06485	4.0
121.10101	1.8
124.05183	4.4
128.06102	1.2
129.07024	1.4
131.08446	1.1
132.05638	1.8
133.06453	1.4
135.04385	2.9
135.07988	2.3
135.11697	0.9
136.04376	0.8
136.05199	8.2
137.05914	1.4
138.06784	5.1
139.06522	1.4
139.07530	20.4
145.06488	3.0
146.07382	1.1
147.08035	5.8
148.08855	1.9
149.05934	2.7
150.06766	3.4
151.07523	100.0
152.07846	2.8
155.06969	2.4
158.07269	2.6
159.08028	3.1
160.08804	2.2
161.05933	2.5
161.09669	1.1
162.06711	2.2
163.07477	2.5
164.08388	4.9
165.05458	31.5
165.09081	16.4
167.07028	15.1
167.08412	1.5
171.08047	2.6
172.08794	2.4
173.05937	1.4
173.09506	2.4
174.06737	3.8
175.07513	7.5
176.08318	7.9
177.09044	2.2
179.10640	26.9
180.10985	1.2
183.08049	1.2
184.08673	1.4
185.09601	2.0
186.10417	5.5
187.07541	4.4
188.08302	12.1
189.09059	11.7
190.09856	9.5
191.10628	7.0
193.08607	1.3
195.10118	2.2
199.11198	1.3
201.09134	6.7
202.09854	11.3
203.10646	9.2
204.11417	1.9
205.12148	1.7
213.12695	1.3
215.10658	6.5
216.11238	2.0
217.12213	35.0
217.14311	1.7
227.50354	1.0
229.12224	7.2
231.13731	3.0
235.13245	46.9
236.13647	2.9
243.13869	1.4
313.17899	1.1
329.13345	1.9
347.16367	0.9
355.18756	1.6
355.22632	13.8
373.20227	1.5
373.23666	32.4
374.23880	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.5
57.03416	1.5
59.29616	1.5
67.05496	3.0
69.03417	3.6
69.07064	3.8
69.40171	9.3
69.40582	4.1
71.04976	2.5
75.75299	1.3
78.98753	1.7
79.05482	4.5
81.07050	14.1
83.04988	1.5
85.02901	10.3
85.61088	1.3
91.05469	4.5
93.07034	7.3
95.08603	16.2
98.21477	3.3
99.08096	3.1
105.07013	11.9
107.08567	10.0
109.02847	1.9
109.10161	4.4
113.09608	2.6
119.08573	50.1
121.10118	1.9
127.03944	2.3
133.09106	3.4
133.10118	61.0
135.11694	13.3
137.09590	1.6
145.04907	1.7
147.11638	3.5
149.02359	4.2
167.07013	2.2
173.13333	1.9
175.14809	100.0
176.15192	2.0
177.05441	3.5
193.15875	11.1
195.06569	1.7
195.17889	1.4
211.16888	4.8
355.15610	1.6
373.12643	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66114	6.0
55.01873	9.0
55.05502	14.2
57.03394	6.7
67.05503	37.4
69.03419	17.5
69.07072	15.3
70.98013	19.2
72.09473	5.8
79.05478	20.5
81.03403	11.2
81.07043	39.5
83.04955	15.6
85.02898	26.1
85.06534	9.7
89.69400	6.1
91.05484	17.9
93.07018	23.9
95.04963	9.7
95.08602	45.4
97.02896	9.1
97.06541	6.7
97.56249	6.0
103.05454	8.5
105.07053	33.1
107.04945	19.0
107.08580	38.0
109.06484	8.2
109.10138	100.0
115.05462	8.2
116.72289	6.6
119.08571	39.8
121.02926	8.1
121.06451	8.6
121.10146	18.7
121.16883	6.6
123.04424	22.6
123.11668	12.7
131.04927	10.7
131.08574	6.6
132.98083	7.5
133.02849	6.8
133.06500	7.2
133.10164	34.0
133.40900	6.7
135.11688	90.8
137.05968	32.1
137.09563	20.6
139.11176	6.4
147.04449	14.2
147.11607	9.8
149.05963	9.8
149.13278	8.8
151.03918	19.3
151.11189	7.8
161.05928	12.4
163.07524	11.3
167.07076	45.1
175.07545	22.7
175.14798	50.5
177.05359	16.0
187.07507	9.7
191.07037	11.2
193.08479	8.5
193.15849	53.8
201.05479	9.1
211.16972	45.1
219.66637	7.4
221.06035	7.9
235.81200	7.7
253.08702	8.9
255.06329	8.6
263.07065	10.0
265.08832	9.5
289.52231	6.7
295.09714	9.6
313.10587	9.9
327.12210	17.0
329.13837	14.0
341.10077	11.5
341.13763	24.2
343.11789	11.4
355.11551	10.6
355.15363	9.3
373.12585	15.6
373.16745	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33859	2.3
53.03940	6.4
55.01868	4.6
55.05494	9.4
56.09460	2.4
57.07063	3.2
63.49232	1.9
65.03936	4.9
67.05501	25.0
68.87650	2.0
69.03428	3.4
69.07052	8.7
69.71369	11.6
72.30846	2.2
79.05486	36.0
80.25780	2.0
81.03399	4.7
81.07052	51.7
83.04987	3.8
83.08601	6.3
85.06541	11.2
90.35423	2.2
91.05475	36.6
93.07036	48.3
95.04972	11.8
95.08598	41.0
97.02892	2.1
97.06534	7.3
97.38142	2.6
103.05479	4.7
105.07027	59.1
107.04945	10.0
107.08586	51.3
109.02853	6.3
109.06514	16.3
109.10144	17.5
111.04424	7.0
111.08060	2.4
117.07005	15.4
119.04913	2.2
119.08575	30.4
121.06470	6.0
121.10139	35.0
123.04423	6.6
123.08064	6.1
123.11679	3.6
125.05983	63.7
125.09617	6.3
127.07531	4.6
128.06224	6.7
129.06984	12.5
131.04932	4.8
131.08556	34.7
133.06488	6.7
133.10107	33.1
135.04437	2.3
135.08078	6.3
135.11681	17.8
137.05949	25.0
137.09613	3.0
139.03899	11.3
139.07527	3.0
142.07755	3.1
143.08556	18.2
145.06465	6.0
145.10098	30.4
147.04390	3.8
147.08037	6.1
147.11667	27.2
149.05968	2.3
149.13234	9.4
151.03841	6.0
151.07549	6.6
153.05467	64.9
153.06815	4.5
155.07028	31.9
155.08549	11.6
157.10117	19.7
159.08078	4.6
159.11690	39.4
161.06006	2.8
161.09619	4.4
161.13228	15.1
163.07567	7.2
163.11278	3.1
165.05466	15.8
165.06824	4.6
165.09137	5.8
167.07022	15.1
167.08464	5.2
168.09291	3.3
169.10101	10.5
171.08025	3.4
171.11702	15.2
173.09602	4.7
173.13266	9.7
175.07518	5.8
175.14792	18.3
177.05518	4.6
177.09126	5.5
177.12712	2.5
180.09401	2.9
181.05003	3.1
181.08583	4.5
181.10127	7.0
183.11655	12.6
185.09666	2.7
185.13228	12.5
187.11238	3.9
187.14841	11.4
189.09059	7.1
189.16360	8.7
191.06963	3.5
191.10733	3.7
193.08592	10.7
195.08121	3.0
195.11697	8.7
197.13243	10.4
199.11195	3.2
199.14848	14.1
201.05499	2.9
201.09018	3.7
201.12611	4.1
201.16339	27.8
203.10689	3.7
203.17897	3.9
207.08139	2.4
207.11702	4.4
209.13228	9.6
211.09573	14.6
211.14790	4.3
213.09048	3.3
213.12758	2.9
213.16400	4.0
215.10657	2.4
215.17973	10.9
217.12195	5.2
221.13338	5.0
223.14798	9.5
225.16321	5.6
227.10660	4.2
229.12250	4.5
231.13728	3.1
235.14799	9.2
237.16475	3.4
243.13756	5.2
249.16362	5.4
251.07011	2.3
251.17964	7.9
253.19492	4.3
255.13783	3.7
255.48380	2.3
257.15421	2.5
263.07129	2.7
263.14453	3.4
263.17676	2.5
265.08606	3.1
273.14828	3.7
273.77054	2.2
277.19510	8.5
281.07776	2.7
281.15430	4.9
282.44650	2.2
291.21072	15.0
293.22641	2.6
295.16946	4.1
295.20218	2.6
309.18802	2.6
309.22070	10.0
313.10754	3.3
319.20554	14.6
327.12045	5.8
337.21600	85.8
338.21811	3.2
341.13678	4.2
345.13321	2.9
355.11465	4.6
355.22638	100.0
356.23102	3.1
373.12195	5.6
373.16626	5.3
373.23633	45.7
374.12384	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59336	1.7
54.68826	1.8
56.96571	2.5
58.06596	7.0
60.04497	1.9
65.03920	2.1
66.49744	1.6
69.03422	7.2
71.52605	2.5
71.52966	2.2
76.96219	2.0
81.03407	2.2
85.02905	15.0
91.05424	12.2
91.21638	2.1
93.66144	2.4
97.02882	7.0
98.22703	2.0
98.97527	2.2
103.82497	1.9
105.68541	2.0
107.04984	5.6
109.02879	3.9
116.98622	2.7
119.04937	28.2
121.15825	2.1
122.05882	1.9
123.04430	6.4
127.03880	9.9
131.04910	2.6
133.02843	2.3
135.04414	4.7
137.05954	5.3
139.03883	3.0
145.04971	4.2
147.04398	100.0
148.04834	2.1
149.05885	2.4
151.03954	2.5
153.05444	2.7
157.89159	1.7
163.03929	3.6
164.07079	2.4
176.07034	3.9
177.05461	10.8
187.12091	2.0
194.08113	7.3
195.06554	4.3
196.09631	2.6
203.07434	2.4
212.09164	19.8
212.12898	2.5
237.02808	2.5
256.99463	2.6
374.04462	3.4
374.15054	7.4
374.18985	37.4
375.12497	12.6
380.25723	1.9
385.46527	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25521	0.7
53.03936	3.4
55.01873	3.7
57.03419	2.8
61.02909	2.7
62.31116	0.7
65.03931	2.5
68.99784	1.5
69.03419	16.2
69.20535	6.5
69.20943	1.8
71.04981	2.2
73.02911	2.7
74.62408	0.7
81.02980	1.1
81.03414	11.9
85.02895	46.0
87.00822	19.1
91.05470	100.0
92.05809	1.6
97.02884	13.7
99.04441	6.4
105.01851	23.9
105.07011	1.3
108.04462	2.0
109.02866	12.7
113.64753	0.8
115.03915	0.9
117.01846	2.5
127.03903	27.3
128.06241	0.8
129.01842	1.5
129.06989	1.2
137.05994	2.1
143.08633	0.8
145.04942	13.7
145.06203	0.9
147.02856	1.5
151.03917	1.8
157.06532	0.8
159.02879	6.7
165.75917	0.7
171.07988	1.1
175.07504	1.7
189.03922	1.9
194.11801	0.8
194.15286	0.8
199.07555	1.7
213.03958	1.3
231.05008	7.3
248.07645	0.8
249.05994	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.5
57.07045	2.4
58.06559	0.5
61.58849	0.5
69.85672	1.6
69.86088	1.5
70.06585	5.1
71.08613	1.1
79.05492	2.9
81.06596	0.6
81.07050	10.0
85.98318	0.5
88.07622	5.8
91.05470	3.0
102.09180	4.1
105.07013	1.1
107.04939	1.7
108.05732	0.6
109.06520	1.0
115.05411	1.0
117.07004	3.4
119.04832	0.6
121.06497	7.3
124.05190	0.7
131.04880	1.7
133.06465	1.6
135.04367	1.1
135.08018	1.2
136.05182	5.9
137.06003	2.5
138.06709	0.9
139.07492	1.4
143.57051	0.6
144.05635	1.0
145.06459	2.0
146.06160	1.0
146.07251	13.8
147.08083	3.7
149.05917	2.0
149.09567	1.0
150.06711	1.4
151.07535	32.3
152.07883	0.8
155.74446	0.6
158.07268	1.2
159.08046	5.8
160.08783	1.2
161.05988	1.2
162.06725	4.8
163.07503	1.6
164.08322	1.2
165.05431	2.2
165.08043	0.5
165.09149	5.5
167.06827	0.5
172.08817	1.5
173.09621	8.9
175.07550	4.2
176.08296	2.4
177.09088	50.5
178.09415	1.5
179.10657	12.7
187.11171	2.3
188.11946	10.6
189.09111	2.3
190.09879	7.2
191.10709	1.4
204.11423	2.8
219.13782	100.0
220.14087	3.4
312.32608	11.2
374.36261	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	2.6
57.73966	1.3
58.99858	2.2
59.91267	1.3
67.52261	1.3
69.03413	2.4
70.26447	5.4
70.99842	2.7
77.00892	6.8
81.03357	1.8
82.99866	2.2
85.02884	4.9
86.09743	1.7
89.00879	2.4
91.02414	4.7
95.01949	2.0
97.01380	1.4
97.02898	2.4
98.97552	1.8
101.00864	22.1
105.00364	2.8
105.93403	1.4
108.97750	2.0
109.03455	3.7
113.00900	2.7
115.02420	12.3
119.01904	100.0
123.01394	1.6
126.98766	4.6
127.03867	8.4
129.03929	1.5
131.01889	15.9
133.02423	1.9
133.03448	37.7
137.02936	20.9
138.45856	1.3
141.00291	2.2
141.92366	1.6
142.03513	3.7
143.01894	6.8
144.99811	49.7
145.03465	8.4
147.01352	5.1
147.05011	2.5
149.02942	13.6
151.04514	4.9
159.01387	11.4
161.02930	20.1
163.00870	14.6
163.04544	3.6
167.03961	3.5
168.01418	1.5
168.99806	25.3
171.01326	9.0
172.99283	10.9
173.02881	8.2
175.00835	9.4
175.04491	3.0
177.00926	2.6
177.02428	25.6
179.04031	2.5
185.02910	3.3
187.00865	55.1
188.01067	2.6
189.02438	20.7
191.00327	16.3
191.03979	9.2
193.01875	4.8
195.03529	4.2
196.99207	7.0
199.00851	9.5
201.02461	9.7
203.00388	2.8
203.04001	5.0
205.00119	2.7
205.01904	23.1
207.03462	8.8
211.00897	2.6
212.98811	2.8
215.00345	48.0
216.00453	1.5
217.01938	24.2
219.03471	19.9
223.02855	11.2
224.98749	1.6
226.83191	1.4
227.00330	8.6
229.01958	14.5
230.99910	7.9
231.03537	5.5
233.01405	4.3
238.01985	3.1
239.00304	1.9
242.99841	5.0
245.01427	15.7
247.02966	44.5
251.02547	3.1
254.99939	9.9
257.01340	4.3
258.99258	2.0
259.03012	4.6
265.04111	13.3
269.01129	2.0
270.04501	4.3
271.32990	1.6
273.00906	17.8
274.01050	1.7
275.02435	5.4
277.03946	5.4
282.99408	2.1
283.04932	2.5
285.00842	4.2
287.02444	5.8
289.00391	1.5
289.03888	2.2
291.02094	1.7
299.02499	1.7
301.00403	14.7
303.01819	2.9
305.03479	5.7
313.11743	1.7
315.01920	31.9
317.03647	1.8
319.01410	5.2
333.03024	21.2
343.01343	11.3
356.04459	2.0
361.02490	12.1
375.03485	2.8
393.05032	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	375.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01854	0.7
57.03405	0.5
61.02912	0.4
67.05493	0.2
68.99763	0.4
69.03422	3.1
69.20789	0.7
69.21204	1.5
70.06583	0.2
71.05007	0.3
72.40439	0.2
73.02903	0.6
81.03411	2.9
81.07021	0.3
85.02900	4.0
86.09726	0.3
87.00813	1.9
89.18002	0.2
91.03950	0.2
97.02886	1.1
99.04462	1.0
105.01840	1.2
105.07018	0.2
107.04939	0.7
109.02874	3.5
117.01841	0.4
120.47136	0.2
123.04415	0.3
126.38313	0.2
127.03907	100.0
128.04182	1.0
129.01865	0.3
129.82938	0.2
135.04411	0.6
137.06004	0.4
139.03818	0.2
145.02852	0.3
145.04900	1.0
147.02864	0.2
147.04266	0.2
147.34695	0.2
153.05443	1.1
159.02850	1.2
163.03969	0.7
167.06956	0.3
195.06578	0.4
197.36847	0.2
213.03954	0.2
213.07603	0.7
231.05064	0.5
269.08591	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01859	2.0
58.54126	1.1
59.02256	1.1
63.89929	1.2
69.28446	14.5
79.05508	6.9
81.07037	2.9
84.70020	1.1
85.02881	1.3
86.00968	1.2
91.05466	7.0
93.07027	1.5
94.04166	5.1
95.04956	3.9
103.05473	1.2
105.07006	3.8
107.04929	3.6
107.08556	1.3
109.06477	2.9
117.07027	2.0
117.63427	1.4
119.04918	5.2
121.06488	3.5
122.03648	3.1
133.06476	2.0
135.04376	1.7
135.08070	1.8
137.05923	3.2
146.07224	1.9
147.04388	9.2
147.10399	2.6
148.04704	2.7
148.10809	1.3
150.06744	4.1
151.07533	17.9
152.07909	3.9
155.07024	5.6
161.05986	2.2
163.07512	10.1
164.07884	8.5
165.05450	100.0
165.06476	4.0
165.09090	15.1
166.05798	2.0
166.09438	7.0
167.07118	1.8
177.09103	4.1
179.07027	1.8
180.07378	1.5
193.08484	2.0
194.09135	1.9
219.13760	5.2
241.08521	1.5
271.09286	2.3
272.09988	1.7
286.11798	1.6
287.12302	5.7
337.04303	1.3
346.04919	1.6
375.30618	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11378	0.3
50.53666	0.4
52.97479	0.5
53.03932	1.4
60.40110	0.4
61.62346	0.4
65.03922	0.6
66.04708	1.2
67.05481	0.5
69.03410	0.6
71.52819	0.6
77.03922	0.4
78.44632	0.3
79.05486	5.4
81.07036	1.4
83.04982	0.4
88.20995	0.4
91.05482	1.1
92.02628	0.5
93.07025	0.5
94.04185	2.9
95.04959	2.5
95.08598	0.5
105.07027	0.6
107.04932	0.8
107.08606	0.5
108.57310	0.4
109.02896	0.8
109.06508	3.0
110.03618	0.4
121.02897	0.8
122.03646	4.0
123.04367	0.4
125.05962	1.1
131.04982	0.4
137.05905	0.5
150.06763	0.6
151.07550	0.5
153.05414	3.2
155.07028	6.3
162.06731	0.7
163.07509	0.5
165.05460	100.0
165.09056	2.0
166.05826	1.8
167.07002	0.4
177.09117	2.0
178.09819	0.9
193.08556	2.8
221.08086	0.9
343.15063	0.4
375.14340	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1436
Annotation	Isohydroxymatairesinol
Peak:m/z	Relative Intensity
53.03934	1.3
53.57168	0.5
55.01863	4.3
55.05494	1.3
57.03431	1.2
57.07060	0.8
67.05489	2.3
69.03403	1.6
69.07043	1.0
71.53091	1.0
72.86582	0.5
73.02908	25.0
77.03896	0.5
78.04659	0.8
79.05483	3.4
79.63744	0.5
81.03383	1.6
81.07032	4.1
83.04952	1.2
85.02903	3.1
85.06497	1.0
91.05467	6.7
93.07024	3.7
94.04183	0.8
95.04958	1.7
95.08598	3.6
96.60014	0.5
97.02872	1.0
97.06512	0.8
99.08062	1.4
103.05433	2.9
105.07008	12.4
107.04928	2.1
107.08572	2.2
109.02854	1.4
109.06505	1.8
109.10130	1.7
111.04433	0.7
111.08067	1.2
115.05408	3.6
117.06993	2.8
118.04156	0.9
119.04920	3.2
119.08560	1.6
121.06488	4.1
121.10120	1.9
121.83532	0.6
122.03629	1.6
123.04420	3.3
123.08027	1.7
123.11691	1.3
124.05196	0.8
125.05984	1.3
127.03910	1.2
128.06190	0.8
129.06996	0.8
131.04939	2.9
131.08566	0.6
132.05690	1.1
133.06479	10.2
133.75713	0.6
134.03619	0.7
134.07275	0.7
135.04364	1.0
135.08028	1.5
135.11699	1.1
136.05148	0.7
137.05960	28.1
137.13171	0.8
139.03876	0.6
143.04932	0.7
143.06010	0.9
145.06473	2.4
146.03557	1.3
146.07298	0.6
147.04355	1.2
147.08008	0.7
149.05946	5.4
149.09558	1.1
149.13327	0.8
151.03893	2.6
151.07526	13.0
151.11147	0.6
152.06256	1.6
153.05418	1.5
153.06955	2.3
159.04320	0.8
160.05194	1.3
161.05959	26.6
162.06755	3.3
163.03931	0.9
163.07480	3.6
165.05571	1.1
165.06960	3.6
167.03381	0.7
167.07040	17.7
167.08507	1.6
168.05638	0.7
168.07446	0.6
169.06355	0.7
171.08003	1.0
175.07529	4.2
177.05554	1.9
177.09084	100.0
177.16368	1.9
178.06198	0.7
178.07887	1.0
178.09477	1.8
179.06998	1.3
179.08487	1.3
180.05646	1.4
181.04959	1.3
181.06444	4.2
182.07239	2.3
183.08060	0.9
185.09596	0.6
187.07472	0.8
189.05482	1.1
189.09084	1.0
191.05119	1.1
191.06996	4.1
191.08510	0.9
193.06607	2.1
193.08574	39.8
194.07240	1.8
194.08858	0.7
195.08099	1.5
195.10147	6.4
195.17422	0.8
196.05128	1.4
197.05933	3.1
197.07710	0.5
197.09625	1.0
198.06770	0.9
199.07474	0.9
203.06926	1.3
203.10664	1.4
205.06590	1.3
205.08409	1.4
207.04581	0.7
207.07982	1.1
208.05173	2.2
209.05960	1.9
209.08061	1.9
210.06735	4.9
211.01347	0.6
211.07495	4.1
211.09401	0.9
212.08258	1.9
213.09047	2.4
213.18544	2.0
219.08080	0.7
221.05907	3.3
221.07918	1.2
221.11667	6.5
222.06680	3.5
223.07480	2.0
224.08273	1.7
225.05444	2.2
225.09052	5.6
227.07065	1.1
227.10587	0.7
233.08092	2.0
234.06598	0.8
235.07411	0.8
236.04727	2.9
236.08296	0.6
237.05406	1.1
237.09178	1.0
238.06181	3.0
239.06955	1.5
240.07759	3.8
241.08528	2.9
251.07028	3.3
251.10579	0.7
252.07794	0.9
253.04755	1.3
253.08568	24.6
254.09116	1.3
255.06448	1.2
255.10217	1.2
258.08694	2.8
265.08401	1.9
267.10248	0.9
268.07172	3.3
269.08105	1.4
270.08810	10.0
273.11203	11.4
277.08557	1.1
279.06400	1.6
279.10043	1.9
281.08331	0.7
282.08762	0.9
283.09506	2.0
284.10419	1.4
285.11191	15.2
286.11569	0.7
293.11530	0.6
295.09735	2.6
296.06638	0.7
297.11145	1.6
299.09119	5.3
311.09103	11.4
311.12564	1.3
315.05386	0.8
315.08655	5.4
325.10666	9.5
327.12180	1.5
329.10214	1.1
329.13522	1.3
339.12170	3.7
345.09909	0.8
345.13306	6.5
357.08936	1.1
357.13309	19.2
375.14285	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	375.1434
Annotation	Shinjulactone C
Peak:m/z	Relative Intensity
53.03938	2.5
55.01853	5.7
55.05515	11.6
57.03427	4.9
57.07059	3.2
61.02900	2.5
65.03926	4.4
67.05489	8.1
68.55157	1.8
68.99789	2.8
69.03436	11.4
69.07072	9.4
69.35666	18.4
70.09339	2.1
70.49317	1.8
71.04980	2.3
73.02900	3.8
79.05473	6.7
81.03397	8.6
81.07051	14.9
82.06566	3.2
83.04974	2.7
83.08601	4.1
84.08137	4.3
85.02905	16.4
85.06526	5.8
91.05479	9.2
93.07028	7.5
95.04956	5.1
95.08624	14.1
96.08109	2.3
97.02883	6.9
97.06512	5.0
97.10186	2.7
98.09684	9.8
98.21478	3.1
99.08107	9.3
100.07621	4.3
100.11264	11.1
103.05455	2.6
104.05813	1.8
105.07008	5.6
107.04925	6.0
107.08605	5.2
107.66737	2.3
109.02850	8.0
109.06486	2.2
109.10110	4.9
110.05964	2.0
111.04417	7.1
111.08053	2.8
115.05430	2.2
117.06983	2.7
119.04948	4.0
119.08588	4.7
121.02843	3.9
121.06512	4.5
121.10130	10.0
122.03672	2.2
123.04449	10.1
123.11692	3.3
124.05195	3.0
125.05948	2.0
125.09682	3.1
127.03876	6.1
128.07074	4.8
131.04929	6.1
133.06450	3.4
133.10089	2.5
135.04399	3.6
135.08018	2.3
135.11729	4.8
137.05969	22.8
137.13184	1.8
138.06340	2.1
139.03859	2.5
139.11046	2.0
145.04944	2.7
145.06439	5.4
147.04359	4.7
147.08047	4.1
147.11707	2.7
149.05811	2.6
151.03923	11.4
151.07533	5.0
153.05484	2.9
153.06891	2.6
154.12279	2.1
160.05104	2.2
161.06010	9.6
162.06683	2.2
163.07515	5.6
165.05522	4.4
165.06969	5.5
166.07773	1.8
166.87950	2.0
167.07028	19.2
171.08046	2.1
173.05917	2.0
175.07533	7.3
177.09149	6.5
177.16400	13.4
179.07028	3.8
179.08467	2.9
181.04974	17.8
181.06422	3.3
182.07217	2.6
182.15338	2.7
183.07953	2.3
184.05119	3.2
187.07410	3.2
189.05502	4.5
191.03384	5.2
191.07013	3.9
193.08595	5.9
195.06444	2.2
195.07991	2.5
195.17418	6.3
198.06743	2.4
199.07397	2.3
203.03363	2.0
203.06995	6.0
205.08528	5.5
208.08727	2.9
209.06021	2.4
210.06606	4.0
210.14865	4.8
211.07472	4.8
213.05496	3.3
213.18410	9.8
217.04968	5.0
223.07527	4.3
224.06952	6.6
224.08627	3.0
225.09061	5.1
227.07008	10.7
227.17441	2.8
237.05492	2.3
237.09108	3.2
238.06227	3.5
239.06967	6.8
239.10608	2.3
240.07768	5.0
241.08611	5.1
251.07133	2.4
252.07877	6.2
253.08626	26.2
255.06534	10.1
255.10051	2.4
265.08514	4.5
267.06488	3.9
267.10144	3.6
268.07315	3.6
269.08072	10.8
270.08752	4.8
280.06754	2.0
281.08047	12.0
282.08887	2.8
283.06036	4.4
283.09540	7.0
285.11188	6.6
287.09286	2.6
295.09802	4.3
297.07553	6.4
297.11212	5.4
298.08298	8.8
299.09320	4.0
299.12747	10.1
301.10855	2.0
311.12610	4.6
313.10675	100.0
314.11002	3.6
315.12234	5.5
325.10651	8.5
327.12183	20.1
329.13751	4.2
339.12305	13.8
343.11795	10.8
345.13284	3.7
357.09494	3.6
357.13251	16.6
366.21857	3.5
375.14487	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	375.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
53.57168	0.5
55.01863	4.3
55.05494	1.3
57.03431	1.2
57.07060	0.8
67.05489	2.3
69.03403	1.6
69.07043	1.0
71.53091	1.0
72.86582	0.5
73.02908	25.0
77.03896	0.5
78.04659	0.8
79.05483	3.4
79.63744	0.5
81.03383	1.6
81.07032	4.1
83.04952	1.2
85.02903	3.1
85.06497	1.0
91.05467	6.7
93.07024	3.7
94.04183	0.8
95.04958	1.7
95.08598	3.6
96.60014	0.5
97.02872	1.0
97.06512	0.8
99.08062	1.4
103.05433	2.9
105.07008	12.4
107.04928	2.1
107.08572	2.2
109.02854	1.4
109.06505	1.8
109.10130	1.7
111.04433	0.7
111.08067	1.2
115.05408	3.6
117.06993	2.8
118.04156	0.9
119.04920	3.2
119.08560	1.6
121.06488	4.1
121.10120	1.9
121.83532	0.6
122.03629	1.6
123.04420	3.3
123.08027	1.7
123.11691	1.3
124.05196	0.8
125.05984	1.3
127.03910	1.2
128.06190	0.8
129.06996	0.8
131.04939	2.9
131.08566	0.6
132.05690	1.1
133.06479	10.2
133.75713	0.6
134.03619	0.7
134.07275	0.7
135.04364	1.0
135.08028	1.5
135.11699	1.1
136.05148	0.7
137.05960	28.1
137.13171	0.8
139.03876	0.6
143.04932	0.7
143.06010	0.9
145.06473	2.4
146.03557	1.3
146.07298	0.6
147.04355	1.2
147.08008	0.7
149.05946	5.4
149.09558	1.1
149.13327	0.8
151.03893	2.6
151.07526	13.0
151.11147	0.6
152.06256	1.6
153.05418	1.5
153.06955	2.3
159.04320	0.8
160.05194	1.3
161.05959	26.6
162.06755	3.3
163.03931	0.9
163.07480	3.6
165.05571	1.1
165.06960	3.6
167.03381	0.7
167.07040	17.7
167.08507	1.6
168.05638	0.7
168.07446	0.6
169.06355	0.7
171.08003	1.0
175.07529	4.2
177.05554	1.9
177.09084	100.0
177.16368	1.9
178.06198	0.7
178.07887	1.0
178.09477	1.8
179.06998	1.3
179.08487	1.3
180.05646	1.4
181.04959	1.3
181.06444	4.2
182.07239	2.3
183.08060	0.9
185.09596	0.6
187.07472	0.8
189.05482	1.1
189.09084	1.0
191.05119	1.1
191.06996	4.1
191.08510	0.9
193.06607	2.1
193.08574	39.8
194.07240	1.8
194.08858	0.7
195.08099	1.5
195.10147	6.4
195.17422	0.8
196.05128	1.4
197.05933	3.1
197.07710	0.5
197.09625	1.0
198.06770	0.9
199.07474	0.9
203.06926	1.3
203.10664	1.4
205.06590	1.3
205.08409	1.4
207.04581	0.7
207.07982	1.1
208.05173	2.2
209.05960	1.9
209.08061	1.9
210.06735	4.9
211.01347	0.6
211.07495	4.1
211.09401	0.9
212.08258	1.9
213.09047	2.4
213.18544	2.0
219.08080	0.7
221.05907	3.3
221.07918	1.2
221.11667	6.5
222.06680	3.5
223.07480	2.0
224.08273	1.7
225.05444	2.2
225.09052	5.6
227.07065	1.1
227.10587	0.7
233.08092	2.0
234.06598	0.8
235.07411	0.8
236.04727	2.9
236.08296	0.6
237.05406	1.1
237.09178	1.0
238.06181	3.0
239.06955	1.5
240.07759	3.8
241.08528	2.9
251.07028	3.3
251.10579	0.7
252.07794	0.9
253.04755	1.3
253.08568	24.6
254.09116	1.3
255.06448	1.2
255.10217	1.2
258.08694	2.8
265.08401	1.9
267.10248	0.9
268.07172	3.3
269.08105	1.4
270.08810	10.0
273.11203	11.4
277.08557	1.1
279.06400	1.6
279.10043	1.9
281.08331	0.7
282.08762	0.9
283.09506	2.0
284.10419	1.4
285.11191	15.2
286.11569	0.7
293.11530	0.6
295.09735	2.6
296.06638	0.7
297.11145	1.6
299.09119	5.3
311.09103	11.4
311.12564	1.3
315.05386	0.8
315.08655	5.4
325.10666	9.5
327.12180	1.5
329.10214	1.1
329.13522	1.3
339.12170	3.7
345.09909	0.8
345.13306	6.5
357.08936	1.1
357.13309	19.2
375.14285	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	375.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01867	1.9
56.57754	1.0
57.03429	1.3
58.80045	1.0
61.38953	1.2
63.57741	0.9
65.03922	1.5
67.05492	3.7
69.03421	3.0
70.63354	3.7
79.05482	5.8
81.03414	6.7
81.07056	3.1
85.02894	2.3
86.09679	1.2
88.26946	1.2
91.05466	8.0
93.07043	4.0
94.04163	4.2
95.04948	3.7
95.08582	2.6
103.05449	8.1
105.07029	13.2
107.04935	4.8
107.08572	2.5
108.02083	2.1
109.02843	1.4
109.06507	4.2
115.05442	5.4
117.06989	6.5
119.04933	3.3
119.08618	2.2
121.06496	3.7
121.10130	1.5
122.03632	7.0
123.04424	4.6
123.08064	11.3
124.05215	2.2
125.05997	1.4
127.03906	2.9
128.06218	2.5
129.07004	5.3
131.04898	11.1
132.05655	1.4
133.06491	11.1
133.10078	1.3
135.04393	1.3
135.08055	4.2
137.05971	86.1
138.06302	1.1
141.05447	1.9
143.04912	4.5
143.08553	1.9
144.05748	1.4
145.06482	3.0
147.04401	1.8
147.07973	2.6
149.06012	2.2
151.03902	56.8
151.04988	4.6
151.07549	16.0
152.04257	2.9
153.05461	2.9
157.06487	5.1
159.08032	1.2
160.05089	2.4
161.05977	9.7
161.09560	2.2
162.06757	3.2
163.03935	1.3
163.07523	18.5
165.05453	1.7
167.07028	38.8
171.04411	2.1
171.08029	1.1
175.07552	9.4
177.09096	100.0
178.06201	1.6
178.09467	4.7
179.07030	1.4
181.04907	3.1
187.07516	2.9
189.09116	6.3
191.06996	3.2
193.08583	44.6
194.08974	1.3
195.10217	6.9
196.13290	3.9
203.07034	15.1
203.10591	2.0
205.08585	3.7
213.11029	1.2
214.14345	2.4
221.08054	5.2
221.11630	6.6
233.07887	2.2
247.07320	1.7
258.02515	1.2
259.09967	1.5
274.89053	1.2
279.10208	1.8
280.61005	1.1
295.09747	1.3
297.11362	1.4
321.11169	2.1
325.14261	1.9
327.12207	4.2
339.12247	2.9
357.13284	5.4
375.15958	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	375.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75124	0.9
55.01873	1.2
59.36442	0.8
67.05499	1.2
69.50880	3.5
69.51315	3.4
78.04716	1.1
79.05486	1.3
91.05480	4.0
92.00275	0.8
93.07049	1.0
95.04961	1.2
98.20756	1.9
103.05480	1.0
104.06243	1.1
104.93860	0.9
105.07019	8.6
107.04958	1.6
107.08602	1.9
114.80469	0.8
115.05458	3.2
117.07003	3.1
119.04934	2.3
121.06481	1.5
123.04438	2.0
123.08096	1.2
131.04996	1.1
133.06487	8.4
135.08038	1.4
137.05983	2.7
143.08490	1.2
145.02800	1.9
145.06383	1.1
149.05981	1.2
151.07518	10.0
160.05190	0.9
161.05981	8.4
162.06709	1.7
163.07649	1.5
166.07959	0.8
167.07018	14.4
171.08063	1.1
175.07550	1.7
177.05560	3.4
177.09094	100.0
178.06265	1.5
178.09425	3.7
193.08603	36.3
194.08852	1.9
195.10172	6.3
203.10593	2.0
205.08583	5.8
221.11685	5.7
226.06186	1.1
239.07129	1.4
281.11340	1.1
313.10675	2.7
329.13870	1.2
345.13214	1.4
374.71524	1.0
375.14291	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01856	4.1
55.05496	2.0
56.78221	1.2
57.87826	1.2
65.03925	3.2
67.05486	3.6
69.03418	3.5
70.66631	3.8
70.66991	1.2
71.04967	2.4
75.69043	1.1
78.59938	1.2
79.05485	5.8
81.03413	9.4
81.07036	4.6
83.04986	1.2
85.02898	3.7
91.05470	7.7
93.07033	3.8
94.04198	1.5
95.04974	6.4
95.08575	3.5
97.02855	1.8
100.11230	2.2
103.05415	5.4
104.06220	1.3
105.03423	1.5
105.07022	12.2
107.04920	3.7
107.08543	2.9
108.02045	1.9
109.02836	3.3
109.06522	6.7
109.10211	1.1
111.04424	3.0
114.44161	1.1
115.05428	6.9
116.48257	1.1
117.07006	5.4
118.04176	1.2
119.04928	4.0
119.08574	1.9
121.06521	3.6
121.10104	1.7
122.03625	4.5
123.04416	2.8
123.08059	9.7
125.05944	2.6
127.03873	3.5
128.06210	5.0
129.06961	8.5
131.04887	6.2
132.05696	1.9
133.06467	11.0
135.08037	1.5
137.05965	55.1
138.06242	2.3
141.05411	3.3
143.04897	3.5
143.08537	1.8
144.05672	1.8
145.06483	2.7
147.04384	2.0
147.07990	3.2
149.05977	1.8
151.03897	89.2
151.05002	6.6
151.07507	11.2
152.04265	2.0
152.10687	1.4
153.05415	3.6
153.11000	1.8
157.06454	6.1
160.05173	2.1
161.05937	10.2
161.09534	1.4
162.06792	3.9
163.03865	2.1
163.07518	9.3
165.05475	3.3
167.07019	23.5
171.04401	2.9
173.05884	1.2
175.07501	10.3
177.09094	100.0
178.06177	2.0
178.09396	4.1
181.04938	3.6
187.07498	1.4
189.09076	7.7
191.07021	5.5
193.08592	39.9
195.10156	8.7
195.11945	2.5
196.13324	1.9
203.07010	18.3
203.10654	1.7
205.08603	2.4
211.15260	1.3
215.06932	1.5
219.08105	1.9
219.10120	1.8
221.08060	5.1
221.11641	6.8
233.08040	5.1
243.06549	1.3
252.07675	1.5
261.08994	1.4
263.06979	1.9
277.08539	2.0
279.10220	2.3
286.08154	3.3
295.09384	1.4
307.09500	3.2
309.11105	1.6
311.12619	1.6
321.11136	2.1
322.04349	1.2
327.12250	7.6
339.12302	3.6
339.21747	2.3
357.13297	4.9
360.91464	1.3
375.16348	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	375.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01856	3.8
55.05502	8.4
57.03419	6.8
58.06590	3.6
62.15943	3.2
65.23653	3.4
67.05495	9.2
69.03421	9.1
69.07050	12.8
71.04999	6.4
71.13693	9.0
73.02890	5.3
79.05480	14.4
81.03405	6.0
81.07041	18.8
83.08636	4.6
85.02901	12.4
85.06551	4.6
86.46822	3.4
91.05474	15.4
93.07037	21.4
95.04946	6.9
95.08586	22.3
97.06494	5.2
99.08113	8.5
103.05471	5.4
105.07024	8.9
107.04922	9.7
107.08578	27.2
109.02858	5.8
109.10107	9.7
111.08053	4.2
117.07034	4.7
119.04913	8.0
119.08586	5.0
121.06478	4.3
121.10133	30.5
123.04413	12.4
123.08057	4.1
123.11648	3.8
123.25822	3.8
127.03907	11.1
131.05005	7.7
131.08539	3.8
135.07983	4.1
135.11696	7.4
137.05956	25.1
147.04404	6.4
148.64478	3.7
149.05981	5.8
150.06737	3.8
151.03909	37.2
151.05028	6.7
151.07542	6.3
157.06528	5.1
161.05968	9.1
163.07542	7.8
167.07019	44.2
175.07568	7.4
177.09161	9.4
177.16357	53.4
179.07082	5.0
185.09622	13.5
186.98058	3.7
192.97464	4.0
193.08627	4.0
195.17368	9.0
196.07419	8.7
203.06914	6.3
207.10477	4.0
212.07014	6.9
213.09294	6.1
213.18524	18.6
221.08200	4.5
224.07021	100.0
255.06207	4.8
256.06870	14.4
295.09869	4.2
309.24258	4.1
329.10117	5.1
330.10471	37.6
357.13373	11.2
375.15112	5.5
376.11539	24.6
385.71472	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	375.2374
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03931	5.1
55.01865	5.6
55.05508	20.4
57.03429	10.8
57.07066	4.4
59.04992	3.6
61.02921	10.0
67.05495	8.9
69.03424	33.5
69.07062	43.0
71.04166	2.9
71.04541	1.7
71.05003	8.9
71.08600	1.7
73.02911	12.2
79.05484	6.2
81.03406	16.4
81.07053	26.2
83.04987	10.2
83.08611	9.4
85.02898	80.3
85.06537	24.6
87.04465	6.6
91.03932	4.9
91.05462	3.0
93.07050	14.2
95.04956	2.2
95.08596	43.8
97.02885	30.8
97.06524	4.6
97.10158	11.5
98.27290	1.2
99.04461	7.1
99.08084	26.2
101.02438	1.5
105.07019	3.2
107.08574	30.5
109.02867	10.1
109.06509	2.0
109.10147	17.5
111.08080	2.9
111.11691	8.4
111.51870	1.2
113.09628	8.4
115.03898	1.5
116.40340	1.3
119.08557	1.9
121.10133	37.1
123.11716	12.2
125.09611	7.8
127.03906	21.4
127.11192	1.5
129.12801	1.3
131.16078	1.3
132.98328	1.1
135.11685	21.3
136.15346	1.2
137.05946	9.2
137.13248	23.2
139.11185	10.1
145.04950	16.3
148.73569	1.2
149.13242	4.4
151.03891	2.4
151.07596	1.2
151.14790	6.2
153.12744	10.6
161.05972	5.2
167.07010	2.9
177.09126	2.1
177.16370	100.0
177.45204	1.2
178.16722	3.1
181.06493	2.6
182.68286	1.2
195.17436	41.2
213.09148	1.8
213.18477	44.9
214.18719	1.7
225.09073	2.3
253.08572	4.3
270.08823	2.7
273.11240	3.5
285.11130	4.4
299.09021	2.1
311.09079	3.5
325.10565	2.8
345.29346	1.4
357.13208	4.0
375.14417	3.7
375.23743	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	375.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.3
53.06170	4.6
55.01877	9.2
55.05506	26.3
57.07062	7.0
67.05498	39.6
69.03424	17.1
69.07067	28.5
69.99387	14.2
69.99797	10.6
71.04980	12.3
73.02910	6.1
75.66483	4.4
79.05479	36.8
81.03414	17.3
81.07046	100.0
83.04962	7.6
83.08620	11.9
85.02927	11.2
85.06528	13.6
91.05484	39.0
93.03406	6.6
93.07040	53.2
95.04963	21.1
95.08601	71.0
97.02850	7.2
97.06506	8.2
97.10145	23.3
99.04492	4.4
103.05461	29.8
105.07034	55.0
107.04944	21.5
107.08577	50.3
109.02872	17.0
109.06498	20.2
109.10160	34.4
111.04427	8.9
111.08089	11.4
111.11744	9.0
117.07002	15.3
119.04930	8.1
119.08570	34.6
121.06467	14.6
121.10150	38.7
122.03615	6.9
123.04431	11.8
123.08043	8.1
123.11700	31.1
124.12093	4.9
125.05978	8.0
125.09631	12.2
127.03900	11.3
129.07028	8.0
129.10468	4.7
131.04889	35.2
131.08508	24.8
133.06522	10.5
133.10118	22.1
135.04387	9.7
135.08057	15.4
135.11671	28.8
137.05954	64.4
137.09651	5.4
139.03944	7.8
139.11192	11.4
143.08534	13.0
145.06412	6.1
145.10141	17.8
147.11668	28.7
149.06003	8.4
149.09595	9.4
149.13255	12.4
151.03897	11.6
151.07544	22.8
151.11168	10.4
153.05426	7.2
155.10623	5.9
157.10110	15.5
159.08034	12.0
159.11684	21.9
161.05940	19.0
161.13229	11.0
163.07506	25.6
163.14845	9.1
165.05498	6.9
165.06833	6.1
165.09131	6.1
165.12766	7.5
167.07072	66.9
167.08432	10.3
169.10153	5.2
171.08049	7.0
173.13268	9.0
175.07516	14.2
175.14903	7.5
177.09111	47.9
177.12773	7.1
177.16327	8.2
178.09465	5.0
179.06963	6.2
179.10797	6.0
181.04852	8.3
185.09618	5.4
185.13248	9.5
187.07426	8.2
187.14856	9.7
189.09129	13.4
189.16380	7.4
191.07039	6.0
191.14294	6.4
192.09409	4.9
193.08617	22.6
195.06485	6.8
199.14722	7.0
203.07016	6.4
203.10544	10.4
207.06456	9.0
213.16629	7.8
221.05812	6.4
221.11871	9.5
222.06509	5.0
233.15535	8.7
235.07584	5.2
236.75179	4.7
248.30104	4.8
253.08600	6.3
265.08502	6.2
268.55939	5.3
275.23615	7.2
283.16861	10.7
285.22040	5.5
291.23120	6.6
301.18048	7.1
303.23145	30.7
311.20035	8.9
313.10767	10.2
315.12238	6.7
321.24152	13.7
325.10739	7.5
329.13696	6.2
331.11890	5.8
339.12415	5.6
351.82224	4.9
357.13354	19.3
357.20523	10.3
375.14276	20.7
375.21667	29.6
376.14777	7.2
377.38321	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	376.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30870	0.8
57.03421	0.7
60.64664	0.7
61.02904	1.0
64.29558	0.8
67.05499	1.3
69.03416	2.5
69.33795	2.6
69.34224	4.9
79.05489	0.9
81.03398	2.7
85.02895	8.9
89.00199	0.8
91.05480	1.3
93.07008	1.1
95.04928	1.1
97.02876	2.3
97.06507	0.9
106.81725	0.7
107.04939	1.4
109.02866	0.8
119.04824	0.7
121.02856	1.2
121.06503	0.7
123.08064	1.4
124.07575	3.4
127.03910	1.6
135.04398	100.0
136.04718	1.3
137.05945	2.4
138.09106	2.6
145.04910	1.6
149.05957	1.7
150.12828	1.3
151.03877	1.0
161.05945	2.4
162.72412	0.8
167.07031	2.8
168.07352	1.9
177.05408	0.8
178.12263	2.5
179.07019	14.5
184.94675	0.8
207.70454	0.7
214.14363	12.7
227.06956	0.8
358.13187	1.2
380.11993	0.9
390.31952	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84944	0.4
50.89419	0.4
53.03929	0.6
53.47890	0.3
55.05507	0.7
57.03428	1.0
58.06581	0.4
61.02916	0.8
63.45007	0.4
64.87263	0.3
67.05496	0.6
69.03419	3.5
69.07050	1.6
70.29330	1.0
71.04983	1.2
72.48388	0.4
73.02914	0.6
79.05482	1.0
81.03402	1.6
81.07036	0.6
82.06557	1.0
85.02903	5.9
86.22378	0.4
87.04445	0.5
91.03954	0.5
93.07058	0.6
94.06551	1.0
95.04967	0.5
95.08601	0.8
96.08144	0.9
97.02921	1.7
97.06553	3.2
97.10146	0.4
98.21459	0.4
103.35478	0.3
105.06996	0.6
107.08588	0.7
108.08119	1.2
108.56294	0.4
109.02856	1.0
109.06477	0.5
109.10131	0.5
110.09666	1.4
122.09652	2.2
123.06812	0.9
123.08064	1.9
124.07581	25.9
124.11141	0.4
126.09142	1.5
127.03886	1.0
128.10750	0.4
133.10060	0.6
135.04405	10.3
135.10483	0.3
136.11205	2.4
137.05971	1.4
137.09619	0.5
138.09132	24.2
140.10677	3.2
145.04900	0.5
150.12776	11.8
151.11139	0.7
152.10667	1.6
160.11192	0.6
161.05978	0.7
161.09572	0.8
167.06982	0.4
168.07324	0.4
168.13823	0.5
178.12265	10.6
179.06998	0.9
179.10617	1.8
182.11681	0.6
196.13327	7.1
200.76721	0.4
214.14366	100.0
215.14661	2.9
224.12831	0.5
224.98914	0.5
226.14465	0.7
238.14410	0.7
256.15231	0.5
292.15283	0.4
376.19669	5.7
377.19699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16454	0.4
50.33134	0.4
53.03913	0.4
55.05486	0.6
57.03417	0.6
61.02897	1.0
66.07893	0.4
67.05488	0.7
69.03426	3.0
69.07045	1.7
69.50960	2.2
69.51382	1.4
71.04968	1.4
72.45757	0.4
73.02897	0.8
79.05477	0.9
81.03407	2.7
81.07030	1.3
82.06560	1.0
84.63307	0.4
85.02894	4.7
87.04451	0.6
90.46425	0.4
91.05457	2.4
94.06542	1.0
95.08578	0.8
96.08090	1.0
97.02870	1.3
97.06522	3.0
99.04420	0.6
105.01855	0.5
105.07005	1.2
107.04945	0.7
107.08569	0.9
108.08072	1.1
109.02835	0.7
109.06493	0.5
109.10120	0.8
110.05977	0.6
110.09694	0.6
111.06775	0.5
121.06455	0.5
122.09648	1.5
123.08040	1.9
124.07574	27.2
125.05975	0.5
126.09149	2.0
127.03851	1.0
128.04095	0.4
135.10399	0.6
136.07529	0.4
136.11234	3.6
137.05956	3.0
138.09120	24.3
139.09496	0.5
140.10667	1.6
145.04915	0.6
147.04349	0.5
150.12767	10.0
151.03873	1.4
151.11221	0.5
152.04248	0.9
152.10672	2.3
160.11154	0.6
161.09578	0.9
168.13763	0.6
178.12247	12.1
179.10674	1.4
196.13281	5.7
214.14346	100.0
215.14638	2.8
224.12755	0.5
226.14272	0.8
275.99768	0.4
305.90988	0.5
376.19778	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	376.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60149	2.5
55.05497	3.8
67.05479	3.2
69.03414	4.1
69.07056	11.3
70.31808	9.4
72.27654	2.8
79.05477	5.6
81.07033	6.9
83.04957	2.9
83.08611	4.6
85.02886	5.6
91.05476	5.7
92.88032	2.8
93.07038	21.2
95.08578	10.3
97.06526	26.7
105.07038	3.6
107.08578	27.2
109.06514	28.0
109.10149	12.2
123.04434	2.7
123.08051	9.5
134.06868	2.7
135.11674	37.4
137.06042	3.8
151.03899	4.8
151.07454	4.1
153.12726	100.0
163.07462	3.8
167.07108	3.0
171.13783	51.7
177.09076	13.6
178.09399	12.2
179.10646	12.2
193.08568	8.6
194.08842	3.6
196.13303	9.0
201.42723	2.9
207.23987	2.5
214.14264	4.0
256.07602	3.1
330.44662	2.9
390.55841	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	376.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83990	0.3
55.05505	5.8
56.05029	9.1
57.03426	0.4
57.07072	2.9
58.02955	5.9
58.06586	3.1
60.04517	43.9
60.51567	0.4
60.96415	0.4
61.02921	0.6
61.04849	0.4
63.33048	0.4
67.05488	1.0
68.05023	1.2
69.03036	0.6
69.03417	11.5
69.07059	8.0
69.87884	1.4
69.88305	0.8
71.08608	1.3
72.04504	0.5
74.05666	0.3
74.06067	1.4
79.05482	0.6
81.07047	1.8
81.08572	0.3
83.08608	4.6
85.10156	0.3
86.06058	16.0
86.46320	0.4
87.04462	0.8
93.07030	1.0
95.08608	1.0
97.06483	0.6
97.10153	3.9
102.63750	0.3
104.07088	81.9
105.07410	0.8
107.08556	0.5
109.10152	0.9
111.08056	0.7
111.11687	0.7
112.57737	0.4
121.10113	0.6
122.08126	27.1
163.11192	0.3
254.24718	0.7
272.25861	1.8
299.44064	0.3
340.28381	3.6
358.29462	100.0
359.29837	6.4
376.30511	13.2
377.30878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1451
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03920	1.9
57.03430	9.4
59.04979	0.7
61.02914	4.3
69.03424	16.1
69.42953	4.9
70.06590	0.7
71.01361	2.7
71.04981	4.5
73.02918	2.8
75.04469	2.9
81.03423	3.9
81.07043	0.8
81.43631	0.6
83.04890	0.5
84.59866	0.6
87.04455	0.6
95.08541	0.6
98.09626	0.5
98.20638	0.6
99.04449	5.2
103.67759	0.5
117.05459	1.1
117.31445	0.6
126.09210	0.5
130.06409	0.7
137.05988	1.0
139.03856	1.1
145.07603	2.8
157.06352	0.9
169.09692	1.6
170.07152	1.9
172.08684	33.1
173.09024	1.2
174.10233	0.9
187.10750	0.8
190.09799	1.9
193.60301	0.5
198.06596	6.6
200.08156	5.7
214.09721	0.6
216.07666	20.4
218.09248	1.5
229.08488	0.6
243.08760	75.6
244.06975	1.1
244.09140	1.8
245.92291	0.5
257.10184	0.6
274.08206	0.7
359.13480	4.1
377.14520	100.0
378.14954	3.8
396.75195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22199	1.2
57.03430	1.2
58.85516	1.1
70.86497	2.9
71.04990	1.5
73.07529	1.3
79.05501	1.2
91.05469	5.4
98.20534	1.1
99.04443	2.0
103.05452	3.2
107.04926	2.0
111.04430	1.4
114.76548	1.2
119.04920	1.9
120.48533	1.2
121.06504	4.7
123.04426	1.3
127.03909	1.9
131.04903	4.0
137.05974	8.0
141.06915	1.4
147.04472	2.1
149.05980	4.5
151.07512	10.9
153.05461	4.5
153.06984	7.3
155.08527	4.5
157.06581	1.6
163.07503	4.7
165.05710	1.9
165.06963	11.7
167.07018	2.0
168.05737	3.6
169.06483	2.4
175.07532	3.5
177.09091	1.4
181.06458	6.1
182.07268	3.0
183.08018	12.3
184.05217	4.5
185.06007	3.5
187.07509	1.6
193.06403	2.0
195.08125	2.1
196.05101	3.2
197.06001	2.5
198.06737	2.9
199.07520	6.2
200.08208	1.8
207.04398	3.3
209.05957	5.0
210.06781	1.8
211.07498	14.2
212.04712	3.7
212.08070	2.4
213.05447	5.1
213.09065	2.7
215.10622	4.7
223.03908	6.1
225.09093	4.2
226.06253	4.9
227.06990	20.6
228.07632	1.4
237.05382	3.9
239.06929	6.4
241.04893	2.3
241.08604	5.3
243.10179	13.6
253.08643	2.2
254.05844	1.5
255.06433	10.8
258.08951	1.5
269.07999	1.7
271.09616	19.8
272.10410	1.4
275.12805	1.4
288.09885	100.0
289.10117	2.6
300.10098	2.3
301.10583	9.4
302.11420	44.0
303.12198	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
57.03416	0.5
60.99655	0.3
61.02899	0.3
61.90537	0.3
65.03922	0.4
69.03414	1.1
70.73002	1.1
70.99568	0.4
71.04969	0.5
80.04982	0.3
80.95838	0.3
81.03412	1.6
85.01102	1.3
85.02901	1.9
95.04905	0.3
96.04424	0.3
97.02878	9.4
99.04439	0.8
103.02151	0.5
109.02837	1.5
112.02178	2.2
127.03886	3.2
135.04608	0.3
137.05984	0.5
140.01595	1.9
148.89491	0.4
157.01936	0.4
158.02701	0.9
170.02664	7.2
188.03738	100.0
189.04079	1.7
192.10216	0.8
214.14256	0.4
230.04803	1.0
252.06857	0.3
296.05832	0.6
314.06888	14.8
332.08011	1.0
378.15628	0.4
379.02954	0.4
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
70.06744	5.3
81.03409	2.4
81.07014	1.7
85.02911	7.3
97.02884	2.2
103.05498	1.3
107.04912	1.8
121.06480	1.7
122.03590	2.1
127.03877	1.8
131.04912	1.4
137.05965	100.0
138.06256	1.5
145.04971	1.4
163.07611	2.4
175.07495	1.2
181.08571	15.8
221.98598	1.4
308.99213	1.3
378.08713	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	378.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18958	0.5
53.03931	1.9
55.01867	1.1
60.79599	0.5
61.02918	1.5
69.03434	2.7
70.06571	0.5
71.52260	1.0
73.88777	0.6
79.05473	0.7
80.43879	0.5
81.03407	1.3
85.02900	11.7
89.25583	0.5
91.03897	0.5
91.05466	9.9
93.07039	9.8
95.04957	2.3
97.02898	2.7
98.97575	0.6
99.04477	0.6
103.05450	5.4
105.06997	0.6
107.04950	0.9
109.02829	1.5
110.03717	0.8
111.04452	0.6
119.04940	1.4
120.05696	2.1
121.06503	13.7
123.04380	1.1
125.05984	0.8
127.03907	2.2
133.02823	0.7
135.08031	0.9
137.05951	2.3
138.06743	1.4
145.04950	1.8
147.04413	0.9
148.05147	2.2
149.05919	4.3
151.03851	1.4
153.05428	1.6
166.06247	9.9
167.06946	0.9
179.06989	0.7
181.08580	100.0
182.09000	3.3
184.07300	1.2
199.09641	66.3
200.09973	2.1
211.09631	1.1
216.08760	1.4
223.09714	0.9
270.84714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	1.7
70.06577	1.1
71.48277	1.3
81.03415	1.5
82.86446	1.0
85.02911	7.2
89.15688	0.9
91.03896	1.0
91.05470	0.9
97.02897	2.2
105.68637	1.0
122.03550	1.2
127.03937	1.3
131.04884	1.3
137.05963	100.0
138.06258	2.5
145.04990	1.2
151.07498	1.2
153.82735	1.0
163.07544	2.3
181.08589	15.0
197.30026	1.0
216.53613	1.0
246.41225	1.0
265.48877	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28994	0.9
52.70675	0.9
60.04494	1.0
69.03419	1.1
70.06584	2.0
71.52281	1.8
79.05481	2.5
81.03386	1.0
81.07055	1.6
85.02888	3.2
85.06519	2.8
86.09692	2.6
91.05470	2.8
93.07017	1.7
95.04953	1.4
97.02859	1.8
105.07001	0.9
107.04939	1.4
109.02870	1.1
109.06506	1.3
111.04436	1.0
115.05447	1.4
116.07063	1.5
119.04929	2.8
120.08073	1.3
121.06480	1.3
123.04386	1.1
123.69270	1.1
124.07588	2.2
125.05988	1.6
127.03917	1.6
127.07565	1.2
129.87505	1.1
131.95042	1.0
135.04387	1.3
136.07532	2.3
137.05948	20.2
138.09119	1.2
139.03821	1.0
143.04886	4.0
146.05922	1.2
147.04379	4.3
148.07552	4.5
149.08331	2.1
151.07544	2.6
153.05400	3.2
153.06638	1.2
154.08638	2.2
160.07536	1.7
161.05931	1.5
161.08215	1.0
162.09189	1.3
163.03935	1.0
164.07027	3.2
165.07864	1.9
166.08643	2.7
167.07031	2.2
168.10129	1.4
175.07494	4.4
176.07094	3.1
177.05516	1.4
177.07848	20.1
178.08594	6.7
179.07077	1.3
180.10139	2.9
183.10063	1.0
188.03751	3.7
188.07108	1.5
190.03270	7.4
190.08589	6.6
191.09372	2.0
192.10172	100.0
193.07205	1.8
193.10513	3.2
194.08003	1.6
196.09636	2.9
198.11212	1.6
206.08202	1.3
207.08342	1.1
208.09665	4.8
224.09132	3.2
226.10728	7.5
253.08453	1.5
265.08621	3.8
299.12793	1.2
316.15430	2.2
316.80984	1.1
328.15399	2.2
330.13376	1.7
330.16910	18.0
331.17337	1.6
332.14737	1.4
346.16528	8.6
348.14432	2.9
362.15906	3.2
380.17017	9.2
381.11493	17.8
381.15775	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84771	0.7
55.96943	0.7
59.79341	0.7
62.05439	0.7
71.43588	0.7
71.43914	1.5
80.77505	0.7
146.95102	0.8
153.45735	0.8
159.46703	0.8
162.38589	0.7
201.01611	2.0
219.02676	2.6
224.82628	0.8
289.67691	0.7
311.21545	0.8
349.35709	0.9
381.07898	100.0
382.08157	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39433	0.4
55.05505	1.1
57.07032	0.6
67.05491	2.0
67.94247	0.4
69.07069	1.1
71.08614	1.0
71.13070	0.7
71.13411	0.9
79.05492	1.1
81.07042	1.9
91.05486	1.2
93.07026	1.5
94.35761	0.5
95.04967	1.2
95.08601	1.0
105.07027	1.2
106.56863	0.5
107.08559	1.3
109.06475	2.4
112.13898	0.5
119.08604	1.0
121.06492	1.3
121.10150	0.7
123.08070	0.5
131.08591	1.2
137.06094	0.6
151.07553	0.6
163.11186	0.9
165.09149	0.6
165.12726	5.8
171.04140	2.2
173.22511	0.5
186.06499	31.0
187.07242	2.2
191.14232	0.7
202.09908	1.0
217.12267	1.2
227.09137	0.7
261.22101	0.9
279.61905	0.5
289.21579	6.9
307.22513	0.9
363.15695	1.4
363.25504	0.8
366.13947	0.5
381.16684	100.0
381.26663	3.3
382.17032	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	381.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02405	0.7
51.35827	0.6
53.03931	0.8
55.01872	1.4
55.05488	1.2
65.03947	1.1
67.05486	2.5
69.03408	2.1
69.07063	1.0
70.78012	1.4
70.78353	0.8
71.04975	0.9
73.02928	0.7
73.43814	0.7
79.05489	3.1
81.03393	1.5
81.07044	3.4
85.02885	2.0
85.06561	0.7
91.05471	8.8
91.31152	0.7
93.07006	3.8
94.04175	2.4
95.04942	4.1
95.08592	2.5
97.02880	1.0
103.05443	2.5
104.06236	1.0
105.03336	0.9
105.07017	4.1
107.04940	3.3
107.08572	2.1
109.02883	1.1
109.06515	2.2
109.10155	2.0
115.05440	4.8
116.06229	1.0
117.07028	4.3
119.04920	2.6
119.08562	3.5
121.06484	2.3
121.10148	0.9
122.03641	6.7
123.04412	5.8
123.08043	1.8
127.03923	0.8
128.06195	1.6
129.06999	2.0
131.04958	4.3
131.08545	2.8
132.05672	4.6
133.06490	1.4
133.10075	0.9
135.04401	16.9
135.08018	2.1
135.11667	1.2
137.05960	100.0
138.06311	1.5
139.07614	0.7
139.11072	0.8
141.06993	2.1
142.07726	0.7
143.04843	0.7
143.08554	1.4
144.05688	1.9
145.06450	3.6
145.10089	3.1
146.07248	1.2
147.08040	2.0
147.11641	1.0
149.05949	2.0
151.07545	7.2
153.01849	1.4
153.06956	1.4
154.07779	1.2
155.08543	2.4
157.10129	1.2
158.07245	1.7
159.08008	2.4
159.11711	1.0
160.05156	4.5
161.05960	3.9
161.09567	1.1
161.13226	1.0
162.06705	0.8
163.03954	0.8
163.07585	3.2
165.06947	1.3
167.07150	0.9
167.08481	1.5
169.06436	1.7
169.10071	0.8
170.07257	1.2
171.08002	1.4
172.08673	0.8
173.09633	1.7
173.13214	0.9
174.06750	1.4
175.07524	64.9
176.07944	2.0
177.05415	1.2
177.08932	0.6
181.06496	2.4
182.07286	1.5
183.08090	2.9
184.08815	1.5
185.06003	1.1
185.09554	0.9
187.07510	4.0
189.09077	17.1
189.12732	0.7
191.06964	2.7
195.07936	3.0
196.08778	3.9
197.06038	1.5
197.09526	1.5
198.06705	1.8
199.07497	3.7
199.11192	1.8
200.08328	1.5
201.09074	6.6
201.12793	0.7
201.16360	1.1
208.08830	1.6
211.07578	2.0
212.08298	5.3
213.09096	7.1
214.09839	2.9
215.08763	0.9
215.10706	2.1
219.06421	1.3
219.13837	0.8
224.08385	0.7
225.09087	3.2
226.09891	2.0
227.10672	12.3
229.08531	0.8
229.12227	1.8
231.10097	1.5
239.10634	8.1
240.11354	1.6
241.12215	1.4
243.10081	0.8
245.11703	1.1
249.09171	1.1
255.06215	0.7
257.09235	1.1
257.11716	12.3
258.12146	0.7
263.10626	1.3
265.08621	1.0
271.11301	1.2
273.09085	0.9
277.12161	1.3
289.12173	0.8
297.11209	1.3
303.10391	1.0
303.13916	1.9
306.08481	0.7
309.11075	1.5
316.10831	0.7
317.11716	0.9
320.89178	0.8
321.11383	0.7
321.14865	2.6
331.13229	3.7
335.12711	0.7
349.14401	3.8
363.15735	4.1
364.16580	0.8
381.09357	3.2
381.16843	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	381.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11034	1.3
55.05492	5.5
57.07062	3.0
67.05494	12.0
69.07059	12.2
70.17535	5.6
71.04986	1.1
76.41531	1.4
78.52135	1.1
79.05481	9.3
81.07053	34.4
83.08609	3.0
91.05471	9.9
93.07032	17.7
95.04965	2.5
95.08597	34.8
97.10119	2.6
105.07030	14.7
106.04174	1.3
107.04913	2.5
107.08578	18.9
108.05613	1.2
109.10136	13.7
111.11649	1.2
115.05400	1.6
117.07042	3.0
119.08574	13.1
121.06500	1.4
121.10139	10.5
123.11681	12.1
131.08536	5.3
133.10106	11.7
135.11676	6.1
136.05180	4.8
137.05951	2.6
137.13222	5.7
143.08543	1.8
145.06471	1.9
145.10109	8.6
147.07980	2.4
147.11690	10.1
149.13223	7.4
150.06685	2.3
151.07524	56.7
159.08058	2.5
159.11652	5.4
160.08839	5.2
161.13275	4.7
163.14818	4.2
164.08261	1.5
165.09096	17.6
171.08066	1.5
171.11740	1.3
173.13231	2.8
174.06781	1.8
175.14780	2.9
176.08356	2.1
177.09105	4.5
177.16383	3.9
179.08578	1.5
179.10648	8.5
185.09621	1.5
186.10399	2.7
187.07466	2.7
187.14828	4.4
188.08299	4.6
189.09094	9.7
189.16391	6.3
190.09799	2.1
191.10651	17.1
193.12263	1.8
197.09587	1.9
198.10379	3.6
201.09087	5.8
201.16394	3.1
202.09859	6.2
203.10649	12.4
203.17924	11.4
205.12263	5.0
209.09637	1.8
210.10283	1.8
211.11171	3.4
212.11853	2.5
214.09764	1.8
215.10638	13.0
215.17873	2.4
216.11366	1.9
217.12221	13.8
217.19450	2.5
219.13806	3.4
223.11290	1.7
226.09857	1.5
226.13387	1.8
227.10628	4.5
228.11427	2.1
229.12265	10.7
231.13832	6.7
241.12221	4.9
242.13008	1.7
243.13795	14.6
243.21054	15.3
255.13808	4.0
257.15396	14.0
267.13943	1.6
269.15387	2.3
271.16959	1.9
283.16919	5.5
285.18500	2.5
295.16730	1.4
297.18588	5.8
299.19934	2.2
311.20102	2.0
325.21518	7.2
339.23105	5.0
357.59995	1.6
381.27838	100.0
382.28162	6.1
403.28329	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.2
55.16922	4.2
57.07043	5.0
67.05498	20.4
69.07042	15.7
69.87988	3.4
70.68481	12.7
79.05464	14.0
81.07043	40.6
82.21776	3.4
83.08582	6.5
91.05466	18.5
93.07027	26.3
95.04951	5.2
95.08594	46.6
103.05408	4.3
105.07018	30.6
106.58632	3.6
107.04912	5.1
107.08576	26.2
109.06496	4.7
109.10137	21.2
111.11702	4.6
117.06966	4.7
119.08574	22.8
121.06506	8.6
121.10134	14.6
123.11683	14.7
129.06932	4.8
131.08543	10.2
133.10144	22.1
135.04344	5.5
135.08049	5.8
135.11649	10.7
136.05135	9.5
137.05876	6.2
137.13237	3.8
145.10086	15.8
147.11632	19.7
149.05946	13.6
149.13237	7.4
150.06677	4.6
151.07541	100.0
159.11699	11.0
160.08720	9.1
161.13174	7.0
165.09108	25.0
173.13235	5.2
177.05411	12.7
177.09090	6.9
179.10695	18.1
187.14775	7.6
189.09084	15.0
189.16365	10.7
191.10609	18.7
197.09743	4.8
201.09148	9.1
201.16307	7.0
202.09880	4.9
202.66229	4.3
203.10645	19.1
203.17902	13.9
205.12202	11.9
210.59286	4.4
211.11026	3.7
214.09959	4.9
215.10635	15.7
217.08577	4.7
217.12199	9.3
217.19521	3.9
219.13634	5.1
227.10530	7.6
229.12222	16.4
231.13734	12.0
241.12233	9.1
243.13802	21.6
243.21083	29.6
245.15321	5.5
255.13739	6.9
257.15329	15.3
269.15356	4.8
283.16791	7.2
295.16791	4.7
297.18512	8.2
325.21609	4.2
339.22882	5.1
381.27893	81.3
382.28177	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	381.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.9
57.07058	3.7
60.06339	1.2
67.05514	9.0
69.07066	26.2
69.99511	5.6
75.28193	1.2
75.32082	1.3
79.05483	5.4
81.07055	21.7
83.08609	8.4
91.05457	7.6
93.07043	9.1
95.04909	1.4
95.08609	18.7
97.10130	1.5
105.07024	14.7
107.04935	2.3
107.08578	9.6
108.05657	1.9
109.10146	8.6
117.07030	1.9
119.08569	7.6
121.10129	7.6
123.11694	3.9
128.06190	1.6
129.06993	2.1
131.08565	1.8
133.10117	3.6
135.11673	4.3
136.05200	5.4
137.05962	2.5
137.13240	1.9
145.10133	4.2
146.07253	2.2
147.08046	1.6
147.11670	4.5
149.05931	2.0
149.13295	2.1
151.07541	43.9
155.08514	1.3
157.10114	1.7
159.07982	3.0
159.11644	2.4
159.39377	1.4
160.08806	3.5
161.13354	1.9
163.07469	1.4
163.14841	2.2
165.09123	11.3
171.08020	1.5
172.08841	2.0
173.09608	2.9
174.10381	6.1
175.07584	1.9
175.14854	1.5
176.08292	2.3
177.09128	3.5
179.08644	1.4
179.10695	4.5
181.10040	1.6
183.08084	1.6
187.07625	2.0
188.08311	6.4
189.09097	5.0
189.16527	2.1
190.09879	2.1
191.10687	11.0
193.12263	2.3
197.09642	3.4
198.10286	2.4
201.09094	8.0
201.16428	1.8
202.09859	4.2
203.10625	14.2
203.17882	2.9
205.12242	25.7
211.11038	2.9
212.11974	7.1
213.09145	4.1
213.12543	1.3
215.10626	15.8
216.11327	1.6
217.12268	4.0
219.42160	1.3
226.13568	1.8
227.10635	4.1
228.11447	7.0
229.12251	9.7
231.13759	5.0
240.11304	1.6
241.12247	2.7
242.13045	8.4
243.13802	30.0
243.21085	3.9
254.12939	1.6
255.13802	2.9
257.15430	12.2
269.15195	1.5
271.16891	3.4
297.18414	3.0
325.21552	1.5
339.23245	2.5
364.19293	1.3
381.27875	100.0
382.28256	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	382.1702
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
52.54018	1.9
55.01857	2.1
59.04993	3.5
67.05476	2.6
69.03409	6.8
69.07051	2.9
70.02953	3.6
71.09724	4.4
72.04492	8.0
79.05478	3.0
81.03436	2.8
81.06982	2.4
85.02882	9.3
85.06512	5.7
86.09668	3.2
90.05537	55.5
93.07024	2.6
95.04927	6.3
97.02869	4.7
98.02380	7.4
103.07583	5.2
107.08539	3.9
109.02853	2.8
109.10091	2.2
111.97505	2.2
116.03442	11.4
123.04403	2.6
124.07573	9.1
127.03925	3.3
128.98555	3.6
142.08601	6.0
145.04970	3.2
147.04338	3.5
153.12752	2.2
184.09677	15.0
202.10728	19.8
203.05232	3.0
203.12708	2.3
216.04602	5.1
220.09616	4.9
220.11765	100.0
237.02769	4.2
383.08890	3.3
383.13245	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	382.1703
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
51.95182	5.5
53.75325	4.6
55.01856	22.8
55.05521	7.4
56.45453	5.9
56.96561	11.9
57.03419	8.7
61.02913	7.4
67.05471	10.3
69.03416	33.4
69.07054	12.3
70.02929	8.2
70.06597	8.1
71.04987	8.6
71.51625	9.4
72.04514	32.5
73.02896	16.0
74.06071	6.8
81.03398	18.5
83.04961	6.6
85.02904	45.2
85.06525	10.1
86.09715	9.5
87.04483	7.0
90.05549	62.7
95.04961	8.2
96.08097	6.2
97.02885	37.9
98.02386	18.6
98.97556	13.3
99.04437	9.2
100.03988	8.2
109.02882	33.8
113.05978	6.0
116.03449	26.7
116.07066	8.4
116.98592	14.9
119.04942	9.0
123.04408	7.3
123.08090	5.9
124.07568	25.8
127.03947	33.7
128.98537	5.8
133.02802	8.4
134.06081	6.4
136.07550	16.4
137.05940	7.4
142.08600	15.2
145.04939	16.1
146.99611	6.3
147.04391	13.1
163.03908	8.5
165.05495	10.6
171.43246	5.9
181.04944	7.0
184.09666	27.0
197.08017	14.0
199.06012	18.1
202.10690	100.0
211.07268	5.9
217.07080	24.1
220.09723	4.9
220.11792	70.4
230.08107	13.7
234.09683	16.6
237.02837	16.5
262.12839	12.4
310.12860	6.1
316.73276	5.4
328.13943	25.1
346.14896	14.1
349.42999	6.5
351.61493	5.9
364.16171	26.2
382.12888	28.6
383.13022	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	382.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.7
57.07069	0.7
59.04978	2.2
67.05473	1.3
69.03410	2.5
69.07043	1.5
71.04984	15.4
71.53059	1.0
75.66928	0.6
76.54965	0.7
79.05471	2.9
81.03403	1.8
81.07038	11.8
81.78903	0.8
82.95014	0.6
85.02880	5.3
85.85902	0.6
91.05441	1.2
93.07040	3.7
95.04955	0.9
95.08601	3.7
97.02859	1.5
97.06506	2.7
104.66467	0.7
105.06994	1.6
107.04937	0.7
107.08596	3.2
111.04469	0.9
111.08083	0.7
119.04849	0.7
119.08630	0.8
121.10127	36.4
123.04455	0.8
123.11680	10.4
124.07607	0.8
125.05969	4.9
127.03860	1.8
139.03857	1.7
139.11145	15.6
140.99266	0.7
147.04385	0.8
149.09598	2.8
153.12767	1.1
163.03851	0.9
167.10649	20.6
171.13824	0.6
172.07585	4.0
176.29849	0.6
181.04912	1.2
185.11707	100.0
186.11971	2.4
202.08604	1.4
202.10631	0.9
203.12747	1.8
207.07610	1.5
220.09657	3.0
220.15373	0.7
264.65759	0.6
366.12878	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06874	2.1
53.78841	2.2
55.01867	3.8
55.05491	8.2
57.03426	5.1
57.07074	3.7
57.90898	2.1
59.04986	3.7
61.02883	2.9
67.05469	7.3
69.03413	13.8
69.07041	8.0
70.03727	2.7
71.04990	14.9
71.18760	2.5
71.19106	5.0
73.02894	7.2
79.05473	9.1
81.03392	6.5
81.07037	15.0
83.04948	11.6
85.02893	22.8
85.06528	2.1
87.04452	4.4
89.06006	5.3
91.05451	4.0
93.07017	8.4
95.04937	7.8
95.08601	11.6
97.02863	9.8
97.06499	8.8
97.10195	2.7
99.04440	4.3
99.08047	2.3
105.07000	4.1
107.08583	27.5
109.02879	4.5
109.06518	3.4
109.10127	17.2
110.07153	4.7
111.04419	5.3
111.11664	2.7
119.08498	2.7
121.06448	2.5
121.10133	16.7
123.04448	2.7
123.08032	9.4
125.05997	4.5
125.09615	16.4
127.03898	7.4
137.09575	14.4
139.03877	3.5
139.10425	1.7
139.11180	17.9
143.06998	3.3
145.04962	4.5
146.06097	2.1
147.04390	6.0
149.09616	12.0
153.05339	2.5
155.10612	12.1
157.12241	3.2
161.05919	4.1
167.07014	4.6
167.10655	59.0
173.06058	2.7
173.90781	2.1
177.05440	6.1
185.11726	46.2
191.06929	2.2
191.10577	2.6
203.07133	2.8
203.12759	100.0
210.84193	2.2
220.05969	4.1
220.09641	8.5
231.06561	5.4
234.98903	3.2
249.07561	9.9
341.60294	2.3
382.11761	72.0
382.22128	10.5
383.12878	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85377	0.2
56.57415	0.3
56.96290	0.5
56.96562	7.1
57.33200	0.3
57.81586	0.3
57.97336	0.3
65.78039	0.3
69.57985	2.1
71.95252	1.2
90.38240	0.3
97.83797	0.2
98.20709	0.4
98.97572	52.2
101.28217	0.2
116.98608	54.0
119.01901	0.9
120.81755	0.3
121.01622	0.3
134.99643	43.8
137.00055	0.3
140.00192	1.3
153.00685	9.0
158.01241	2.6
174.97678	0.5
176.02281	0.4
177.00917	1.8
178.01036	0.3
179.00703	0.6
180.18640	0.3
181.97408	0.4
192.98880	0.6
198.97716	0.4
207.00011	0.3
216.98749	1.3
217.98949	0.4
218.03642	0.4
219.01955	3.4
219.03697	0.4
220.02029	1.4
220.43362	0.3
221.01775	1.1
223.97710	0.3
234.99905	4.3
236.00058	1.7
236.99866	0.8
240.98575	4.7
241.98920	0.3
253.01079	1.1
254.01120	0.5
258.03223	0.7
258.99759	55.5
260.00012	4.5
260.99857	1.0
261.03058	2.4
262.03128	0.5
263.02783	1.6
264.02856	0.4
264.99002	1.0
265.99548	0.3
275.97992	0.4
276.04486	0.3
277.00812	100.0
278.01010	7.1
279.00848	1.6
282.01285	2.6
282.99945	14.4
284.00070	5.8
284.99780	1.9
291.99393	0.3
295.01959	1.7
300.02380	5.5
301.01016	31.2
302.01144	11.5
303.00806	3.5
304.00778	0.4
316.98788	0.8
317.98828	0.7
319.02026	1.9
320.02090	0.8
321.01837	0.5
324.02637	1.4
325.02722	0.4
331.51343	0.3
334.92557	0.4
341.02274	1.3
358.03040	0.3
359.01477	8.6
360.00146	0.8
377.02554	3.6
378.02527	0.4
382.03241	0.5
383.00000	1.2
383.04297	1.3
384.00427	0.3
401.00882	9.9
402.01282	1.2
403.01111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62913	0.4
56.57057	0.4
56.96543	0.6
57.03415	0.5
64.45404	0.4
69.03410	0.8
70.63972	0.9
70.64339	0.8
77.66098	0.4
81.07048	1.0
85.02898	1.3
91.05447	0.7
92.16214	0.4
97.02866	1.3
97.06538	0.4
98.97571	0.8
99.04408	0.5
99.52422	0.4
101.80779	0.4
107.08597	0.6
109.86674	0.4
116.98615	0.7
123.04440	0.5
127.03862	0.5
130.99997	0.3
137.05974	2.0
151.11192	0.5
158.99615	0.5
163.02684	0.6
163.03908	0.7
163.07607	0.5
169.12212	0.5
181.04988	1.2
194.07063	0.6
203.05449	0.9
203.07526	4.8
203.57709	0.6
209.05699	0.5
212.08289	0.4
383.13098	100.0
384.13373	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	383.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.8
53.63538	1.7
54.43383	1.6
55.01869	2.5
55.05509	2.8
56.96561	27.1
57.03417	5.0
58.50839	2.0
59.04980	2.7
61.02918	11.2
69.03429	24.2
71.04969	4.2
71.52272	2.9
73.02888	5.6
73.06513	2.8
77.30113	1.9
77.95497	1.7
79.82343	1.8
81.03406	14.3
81.07063	2.8
84.04512	4.2
84.48399	1.7
84.96033	4.6
85.02895	44.2
87.04463	3.1
87.98064	1.8
89.03893	2.8
91.03966	2.1
91.05473	5.9
93.07040	4.4
94.06559	2.7
94.14074	1.7
97.02878	24.9
98.97570	35.9
99.04405	6.2
102.06776	1.8
109.02849	6.3
110.97523	4.1
111.04432	2.0
112.99133	2.3
115.00703	2.5
116.98621	23.2
118.06483	3.8
119.01908	10.2
119.04910	8.0
121.06465	3.9
127.03917	10.9
128.98573	7.8
130.06514	34.9
131.01898	5.3
132.04456	20.0
133.01688	3.2
133.41908	2.2
134.05974	3.1
134.99606	13.1
135.04402	3.9
137.05962	18.5
144.08064	7.8
145.04942	6.1
145.06334	2.0
146.05951	5.7
146.99678	10.4
147.03308	4.1
147.04353	14.5
148.04796	3.0
149.01183	3.6
153.00679	2.3
155.04628	14.6
155.54890	2.4
157.03456	3.1
157.07596	20.3
158.05998	52.2
158.99646	7.3
159.09122	5.6
161.01184	7.6
161.02916	5.5
162.05455	3.5
163.02721	2.6
163.03862	12.3
164.05165	6.8
165.04311	2.1
166.55461	4.1
167.07048	2.2
169.03516	2.2
170.99786	2.1
172.07573	4.7
173.02841	2.9
174.05502	4.2
175.02722	2.5
175.04320	2.6
175.08653	81.4
176.07239	2.0
177.00693	11.2
177.04230	4.6
179.02174	2.8
179.07001	2.2
185.07054	12.0
186.07825	2.8
187.08632	3.6
189.00740	3.7
195.05174	3.0
197.03114	2.2
199.08632	6.3
200.07101	10.8
201.00731	2.7
203.03821	4.7
203.08119	3.7
204.04620	5.5
204.06551	12.4
212.07025	1.9
217.05496	2.8
217.09653	11.5
219.01727	7.8
219.05055	5.7
220.05949	6.5
221.04976	4.7
221.09190	100.0
231.07620	8.6
233.06503	2.4
237.02763	21.1
237.06209	2.3
245.05013	5.0
245.09140	4.0
246.04169	6.1
249.06105	2.2
256.06564	2.0
257.07925	2.7
258.57486	1.9
263.10242	19.0
265.07608	12.3
294.10272	1.9
299.10297	11.6
309.08466	5.4
311.10184	3.3
321.08316	3.2
323.09662	13.4
339.09406	3.5
347.12399	4.8
350.06702	3.1
358.58765	2.7
365.09326	2.8
365.13623	3.6
383.13339	12.5
384.08020	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33762	0.5
55.05502	1.0
57.07067	0.6
67.05501	3.2
67.48635	0.6
69.03405	0.5
69.07058	1.1
69.38534	2.0
69.38960	2.5
70.13006	0.5
71.04979	0.5
79.05489	1.9
80.67753	0.5
81.03398	0.9
81.07050	3.5
83.08603	0.7
85.02869	0.6
91.05461	1.9
93.07029	1.9
95.04934	1.0
95.08598	1.9
97.06524	0.7
100.87783	0.5
105.07046	2.5
107.04906	0.6
107.08570	1.6
109.06502	0.7
109.10159	2.2
119.08560	1.6
121.06480	0.8
121.10146	1.5
123.04472	0.5
123.11654	0.7
131.08559	1.0
133.10149	0.7
135.11711	0.9
135.31784	0.5
137.05952	0.9
137.09587	0.6
139.16580	0.6
141.61226	0.4
145.10101	0.7
147.04488	0.6
147.08025	0.6
147.11699	0.6
149.13159	0.5
157.10164	0.8
159.11768	1.1
161.05968	1.6
161.09503	0.6
161.13208	0.6
165.05525	0.7
168.01599	0.5
171.04233	0.6
172.35423	0.6
173.11807	0.6
177.09105	0.6
177.12709	0.8
186.06497	16.9
187.07239	0.9
203.08633	0.6
217.92624	0.6
221.09854	0.6
231.08028	0.7
233.09689	0.6
246.29883	0.5
247.07417	1.2
248.08272	1.0
261.09039	0.9
262.06363	0.8
263.10590	0.8
265.08728	0.6
275.06857	0.9
276.07755	0.7
277.08600	0.6
290.09384	0.6
291.10202	1.3
292.07327	0.7
293.08105	1.2
305.08313	0.7
305.11636	0.7
305.94208	0.5
307.09595	0.8
308.10287	0.7
319.09677	0.8
322.08267	0.6
323.12772	1.1
337.10681	1.0
351.12256	1.7
353.10284	1.2
368.12573	1.6
383.14655	100.0
384.15134	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	383.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.1
55.01852	16.4
55.05505	20.4
55.05716	3.4
57.03424	11.8
57.07065	5.6
61.02923	6.4
63.97005	2.8
65.03928	6.0
67.05491	20.0
68.99778	9.1
69.03423	100.0
69.07053	12.6
69.59910	6.7
69.60223	26.0
71.01347	5.0
71.04984	50.7
73.02900	5.0
74.08691	2.9
79.05479	28.0
81.03411	76.5
81.07045	46.9
83.04983	11.3
83.08615	4.3
85.02895	47.9
87.00831	26.8
90.01821	3.3
91.05473	45.7
93.07043	51.7
95.01325	4.1
95.04966	24.7
95.08596	24.7
97.02879	42.6
97.06526	7.0
97.10174	4.5
98.21485	6.7
99.04438	7.9
99.08081	16.5
103.03947	6.7
103.05424	5.1
105.01862	8.1
105.07027	62.1
106.07311	3.6
107.04943	12.8
107.08582	46.2
109.02870	12.9
109.06488	21.8
109.10159	26.6
111.00682	3.3
111.04449	10.8
115.03912	8.5
115.05377	6.9
117.06989	19.5
119.04918	16.8
119.07797	4.5
119.08576	44.1
121.06492	18.6
121.10123	29.1
122.05905	3.2
123.04399	16.6
123.08055	17.0
123.11700	14.6
127.03910	11.3
127.07577	18.4
128.06224	10.4
129.01848	7.1
129.06995	15.3
130.07822	7.7
131.08578	27.8
133.06514	7.3
133.10130	24.1
135.08044	15.7
135.11667	27.4
137.05956	7.3
137.09576	9.8
139.07515	4.4
141.07048	3.7
142.07730	4.5
143.08562	18.8
145.06502	11.4
145.10106	38.7
146.95767	3.1
147.08076	19.6
147.11694	19.6
149.02306	6.8
149.06010	7.3
149.09599	10.1
149.13261	5.0
151.07523	8.0
151.11191	14.8
153.06961	4.1
155.08548	13.5
157.06470	7.3
157.10060	4.9
159.02791	5.3
159.08031	11.2
159.11655	9.4
161.09599	9.7
161.13214	7.1
163.07545	7.5
163.11163	14.7
165.05583	4.7
165.12730	28.5
171.08051	14.7
171.11682	5.4
173.09610	39.9
173.13208	6.1
175.07515	20.2
175.11203	10.0
177.12782	23.3
180.18355	4.5
183.08025	5.7
183.11623	4.0
187.07547	4.5
187.11197	4.4
189.09088	15.0
189.12758	14.4
191.10660	24.4
193.12148	8.2
195.08092	3.5
197.13289	8.4
201.03957	27.5
201.09068	7.0
201.12714	6.9
205.12183	8.3
207.10147	3.6
215.14227	6.8
217.12184	5.7
219.13808	8.9
233.15404	5.7
243.13803	32.8
248.08347	3.7
261.14847	35.3
279.15964	15.7
291.10349	4.0
305.44623	3.6
347.14807	15.4
351.12228	5.8
365.16119	17.6
383.16977	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	383.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13462	5.6
51.08157	5.8
53.03929	7.8
53.96508	4.9
55.01849	17.3
55.05506	29.4
57.03412	15.1
57.07067	11.8
61.02913	10.0
64.28458	5.3
65.03920	6.6
67.05497	47.5
69.03147	5.5
69.03422	60.6
69.07040	26.2
69.96404	28.5
71.04990	65.5
73.02894	13.5
77.75700	5.5
78.58060	5.8
79.05489	45.4
81.03412	34.2
81.07048	100.0
83.04958	22.0
83.08608	11.0
85.02887	64.9
85.06514	7.1
87.04469	9.2
91.05462	49.6
93.07034	79.0
95.04923	28.2
95.08604	71.5
97.02872	37.5
97.06497	21.6
99.04447	16.5
99.08096	12.1
103.03944	9.5
105.07012	93.1
107.04955	13.1
107.08574	83.8
109.02844	15.7
109.06468	24.3
109.10135	67.5
111.04410	16.0
111.08058	12.6
115.03943	7.3
115.05438	9.7
117.07005	24.2
119.04929	8.0
119.08574	84.0
121.06490	22.0
121.10127	63.0
123.04425	13.5
123.08037	24.7
123.11710	35.6
125.09631	17.2
127.03905	28.4
127.11157	23.6
128.06169	10.9
129.05489	7.8
129.06998	17.3
130.07889	7.3
131.08534	47.0
132.78581	6.6
133.10110	67.8
135.04424	8.2
135.08035	18.9
135.11642	50.0
137.05954	14.4
137.09612	15.3
137.13205	9.8
139.07475	6.9
139.11169	5.8
141.06931	7.4
142.07756	8.4
143.08536	30.1
145.06508	8.5
145.10104	58.8
147.04451	7.8
147.07990	12.3
147.11653	50.4
149.09579	8.7
149.13260	29.4
151.07469	6.7
151.11142	13.8
153.12761	15.5
155.08539	15.5
156.09346	5.9
157.10080	37.5
159.07976	8.1
159.11665	58.1
161.09579	16.5
161.13202	25.5
163.14749	8.3
165.12715	8.6
169.10063	14.9
171.08026	9.2
171.11696	23.5
173.09587	17.3
173.13248	20.4
175.11205	13.8
175.14795	12.9
177.12720	9.2
177.16327	8.7
183.11665	12.4
185.13231	16.6
187.14778	18.4
189.12738	11.8
189.16377	23.4
193.15800	18.3
195.11729	7.3
197.13268	9.2
201.12711	16.0
201.16360	20.4
203.14253	9.8
203.17924	26.7
213.12726	9.2
213.16417	9.4
217.10513	9.0
219.13824	7.1
221.18970	11.9
225.12720	8.2
231.17584	7.8
233.18826	8.6
241.15936	9.9
243.13843	8.1
245.18970	14.7
247.07556	10.8
248.08203	6.4
261.14853	8.3
261.18585	5.9
263.20001	10.8
269.18976	10.3
279.15900	6.5
305.11731	12.1
307.09482	7.9
311.19839	8.6
329.21112	16.5
337.10730	13.7
347.22147	22.2
351.12424	12.6
353.10040	8.7
365.13760	9.1
365.23245	10.8
368.12259	10.1
383.11047	9.3
383.14966	57.6
383.24197	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43867	1.2
51.02382	1.0
53.03937	2.7
55.01861	5.4
55.05508	8.2
57.03419	5.5
57.07084	2.0
59.04999	2.2
61.02918	2.8
67.05498	13.5
69.03419	13.7
69.07050	7.1
71.01340	2.5
71.04990	11.3
71.52955	2.2
73.02905	3.6
75.92677	1.3
79.05489	10.9
81.03411	6.6
81.07047	29.4
83.04961	4.2
83.08601	1.6
84.46069	1.5
85.02902	13.0
85.06517	2.6
87.04484	2.2
87.05990	1.2
91.05460	13.2
93.07039	21.5
95.04953	6.9
95.08596	23.2
97.02881	8.9
97.06521	5.0
97.10153	1.9
99.03849	1.5
99.04450	3.2
99.08099	2.1
103.03925	3.1
103.05480	2.3
105.07013	26.3
107.04951	4.2
107.08585	21.0
109.02890	2.7
109.06516	5.3
109.10147	16.1
111.04451	2.5
111.08044	2.4
111.11666	1.6
115.03932	4.2
115.05507	1.5
117.07011	5.4
119.04892	2.5
119.08575	30.8
121.06497	5.6
121.10125	16.3
123.04427	4.1
123.08058	5.6
123.11684	7.4
125.05955	1.3
125.09612	2.6
127.03901	2.9
127.11203	4.7
128.06250	1.8
129.05537	1.8
129.06981	3.8
129.75359	1.2
131.04933	3.1
131.08533	10.5
133.04974	4.1
133.06485	2.1
133.10123	15.4
135.08037	4.4
135.11647	11.3
135.12494	1.2
137.05974	10.3
137.09630	7.1
137.13248	2.5
139.11214	1.6
141.06981	2.6
142.07773	2.2
143.08574	7.9
145.02797	1.7
145.05003	1.5
145.06490	3.7
145.10094	14.1
147.04465	1.8
147.08031	6.4
147.11693	15.9
149.02386	3.0
149.05989	2.3
149.09618	4.0
149.13242	5.2
151.03941	3.1
151.07538	3.7
151.11200	6.0
153.05562	1.8
153.06966	1.6
153.12701	3.1
155.08536	2.7
157.06511	1.9
157.10129	12.3
159.08060	4.9
159.11693	16.0
161.05978	3.9
161.09616	3.2
161.13263	5.1
162.06715	1.6
163.07516	3.6
163.11179	3.1
165.05536	1.3
165.06918	1.4
166.07799	2.2
169.10139	4.6
171.08066	1.7
171.11684	8.0
173.09715	1.6
173.13274	4.8
175.07549	4.0
175.11221	3.8
175.14827	3.4
177.05557	6.1
177.09137	2.9
177.12811	3.0
181.04898	1.3
181.06462	1.7
181.10126	2.7
183.11682	4.5
185.13283	2.7
187.11162	2.5
187.14792	3.9
189.05423	2.4
189.06984	1.6
189.09123	2.2
189.12823	1.8
189.16350	3.9
191.07062	2.3
191.14336	1.4
191.18008	1.5
192.09494	1.5
193.04927	1.4
193.15849	1.7
195.07991	1.3
195.11703	2.2
197.13171	3.1
199.07506	1.5
199.11224	1.6
199.14871	3.0
201.05429	6.3
201.09087	1.5
201.12695	4.9
201.16422	3.2
202.07791	3.7
203.07063	3.4
203.08705	1.5
203.10951	2.3
203.14355	2.5
203.17928	8.5
205.08525	1.6
207.11795	1.4
207.17436	1.5
213.12865	3.3
213.16394	2.1
215.14366	2.3
215.17921	1.5
217.10204	1.7
218.07402	1.8
219.08038	4.3
219.10037	1.6
219.17363	2.8
220.08797	2.7
221.08066	2.4
221.19038	2.5
225.12772	2.7
227.14420	1.7
229.08551	1.6
230.07208	1.7
231.08075	3.0
231.10086	1.8
231.17453	3.1
233.09560	3.0
233.18985	7.3
234.06747	3.1
234.10262	1.9
235.07527	1.5
243.08031	1.6
243.13847	2.5
243.17599	1.8
244.08754	2.3
245.05963	3.5
245.09645	5.7
245.18993	3.6
246.06813	2.2
247.07513	7.7
248.08307	4.7
249.09090	4.3
251.06996	2.2
251.10561	1.8
253.26036	1.4
261.05579	4.8
261.09109	4.0
261.14923	2.1
262.06238	5.8
262.09851	5.3
263.06979	2.0
263.10818	2.2
263.20163	1.8
264.07764	3.0
265.08517	4.1
266.09296	1.2
273.06174	2.1
273.09045	13.1
275.07037	4.8
276.07852	4.6
277.05048	1.9
277.08597	7.1
278.09393	3.5
279.06638	3.4
279.10123	3.8
281.08145	2.1
287.19962	1.7
289.04965	9.1
289.08389	3.0
290.05722	8.3
290.09357	10.7
291.06570	4.1
291.10165	7.1
292.07159	2.6
292.10516	1.7
293.08136	5.1
294.08731	3.9
295.09631	1.4
299.20129	2.1
301.08615	6.9
303.06366	2.5
304.07178	5.0
305.08087	13.4
305.11700	9.4
306.05417	1.7
306.08749	2.3
307.06357	2.2
307.09521	8.1
308.10336	2.2
309.07745	2.3
309.11285	4.3
311.12909	2.9
311.19958	2.9
318.08813	17.4
319.09650	8.7
321.07465	4.0
321.11240	5.5
322.08273	5.3
322.11758	2.3
323.09024	2.5
323.12439	3.1
329.21133	5.8
333.11209	43.6
334.11734	4.4
335.09094	2.9
336.09714	1.9
337.10733	19.1
337.14316	2.3
339.12247	9.9
347.12860	2.1
347.22211	5.7
350.11487	7.4
351.12350	8.9
352.13129	1.8
353.10056	2.1
355.15436	3.5
365.13821	56.6
365.23318	4.8
366.14035	3.8
368.12668	4.4
383.14890	100.0
383.24765	7.8
384.15292	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	383.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.6
55.05496	8.2
57.07062	3.7
66.95454	2.5
67.05494	18.9
67.21305	2.6
67.97474	2.4
69.07051	10.3
71.53060	3.1
79.05486	19.9
80.12310	2.4
81.07042	25.7
83.08606	5.7
91.05474	15.7
93.07020	18.7
95.04939	5.7
95.08598	27.7
105.07028	32.1
107.08577	21.8
109.06496	5.5
109.10159	21.1
114.07495	3.1
117.07004	6.5
119.08566	35.2
121.06514	3.4
121.10126	20.2
123.11686	23.6
126.03143	3.8
129.06975	4.6
131.08578	8.0
133.10103	20.7
135.11649	3.0
137.05959	4.9
141.09084	5.1
143.08604	2.6
145.10104	9.1
147.11665	47.3
149.13252	16.4
151.07532	20.9
155.06978	4.5
155.08496	2.5
157.10149	2.8
159.11664	10.8
161.05984	5.1
161.13239	7.9
165.05453	81.2
165.09138	5.4
175.14864	5.1
177.09111	5.4
193.08540	3.9
201.16356	25.2
203.17938	100.0
204.18208	3.0
227.17938	7.2
276.19339	2.8
299.16428	3.3
309.18454	4.0
347.26154	2.7
365.24738	21.9
383.25732	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3304
Annotation	17-(4-cyclopropylidene-1-methyl-butyl)-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Peak:m/z	Relative Intensity
50.89412	3.0
54.21807	3.5
55.01841	3.8
55.05509	23.0
55.95319	2.7
57.07059	12.2
67.05497	54.5
69.07059	42.4
71.08611	7.1
71.53201	4.2
79.05498	26.3
81.07048	88.7
83.04945	5.5
83.08608	17.1
85.06525	3.7
88.86819	3.3
91.05475	25.6
93.07034	48.2
95.04939	8.2
95.08605	89.3
97.06517	6.9
97.10152	8.8
100.49991	4.0
101.85002	2.8
105.07016	56.8
107.04887	3.3
107.08585	57.6
109.06492	4.3
109.10143	68.3
111.11704	9.2
113.09538	4.8
115.05466	3.7
116.58195	3.6
117.06986	13.6
119.08586	45.5
121.06487	9.1
121.10136	35.1
122.22788	3.1
123.08052	14.9
123.11695	21.4
129.06998	6.3
131.08530	26.9
133.10115	34.0
135.11681	38.1
137.05946	6.1
137.09634	6.3
137.13232	14.0
139.11200	3.9
141.06947	6.0
142.07755	4.2
143.08540	20.7
145.10104	41.6
146.07097	3.5
147.11679	39.1
149.13254	29.9
151.07524	11.1
151.11160	3.6
157.10097	16.3
158.10928	4.5
159.11688	48.7
161.05983	9.9
161.13240	32.3
163.11223	3.8
163.14787	12.1
165.12743	7.8
169.10077	8.3
171.11636	10.1
173.11841	5.5
173.13232	26.6
175.11224	5.3
175.14804	14.0
177.05377	3.3
177.12793	6.7
177.16345	5.5
179.14340	7.6
183.11650	7.2
185.13246	20.9
187.14789	14.8
189.12672	3.8
189.16284	5.6
191.14334	7.0
191.17908	9.3
193.19485	3.9
197.13272	7.8
199.07559	3.7
199.14857	16.0
201.09207	4.7
201.16336	10.6
203.14481	4.2
203.17961	9.2
205.19432	6.9
211.14819	12.1
213.16403	16.3
215.17857	8.9
217.15819	4.0
217.19431	6.5
219.17340	4.0
225.16420	5.5
227.17883	4.7
229.19539	3.7
231.07924	3.6
231.17392	8.8
239.17865	4.4
241.19536	5.9
243.21057	7.8
253.19598	4.3
254.65268	3.8
255.21140	8.8
257.22525	6.3
263.06760	4.5
263.10535	3.4
269.22281	3.9
271.20584	5.7
271.24347	4.0
273.09250	3.7
273.22192	3.8
276.07779	7.5
291.10150	6.9
296.29398	3.9
305.11429	5.2
308.10217	5.1
309.11163	4.7
323.12494	3.4
325.28799	11.3
333.11563	3.5
337.14163	4.2
340.16934	3.9
351.12177	11.2
352.12820	7.4
353.10196	3.8
365.13846	6.3
365.24677	4.5
365.27817	3.7
365.31989	68.5
368.12405	5.6
383.11008	4.8
383.14874	33.7
383.25385	5.1
383.33136	100.0
384.15292	7.8
384.33426	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	384.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07566	0.5
55.01870	0.8
55.05509	2.6
57.07067	0.6
57.27449	0.5
59.04718	1.2
59.04996	22.3
62.46759	0.5
67.05503	1.0
68.05846	0.5
69.03427	1.1
69.74696	2.5
69.75109	0.9
70.34534	0.5
71.04977	2.3
77.12247	0.5
79.05474	1.5
81.07043	1.0
83.04982	3.2
83.08620	0.6
85.06540	4.0
91.05463	1.2
93.07035	1.0
95.04952	1.6
95.08638	0.8
97.10125	1.0
98.20733	0.9
99.08137	0.6
101.06011	5.9
103.05473	1.5
105.07018	5.0
107.04939	0.7
107.08575	2.1
107.30776	0.5
109.10123	0.9
118.04153	1.1
119.04924	0.9
121.06466	1.2
125.09624	3.6
127.11111	0.7
129.62512	0.5
131.04947	4.0
133.06416	1.2
137.05972	1.2
141.06923	0.7
143.10638	4.2
147.04337	1.1
149.05942	1.6
151.07552	1.0
161.05968	100.0
162.06441	3.6
163.07520	1.5
165.05421	1.0
167.07047	1.4
175.07524	1.6
177.05556	1.4
187.07597	0.7
188.08295	0.7
189.05504	0.7
189.09094	1.9
190.06177	1.0
193.05029	1.7
193.12294	0.9
195.06516	0.6
201.09058	1.0
207.06511	21.8
208.07277	11.6
215.10727	0.6
217.12218	0.8
227.10808	1.4
231.10086	0.7
232.07388	0.9
233.08076	1.5
243.13841	0.7
245.11716	4.3
285.14905	2.1
308.12601	5.8
325.10434	0.7
384.15033	1.5
385.12601	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	31.1
56.47123	2.7
65.44471	2.5
67.05498	4.4
69.03403	5.7
71.04983	14.6
71.27980	2.8
71.28309	2.7
71.35676	2.6
79.05476	10.4
81.07048	44.9
83.04976	17.6
85.02888	15.0
91.05457	3.8
93.07046	3.5
95.04983	6.4
95.08566	2.4
97.02885	4.4
97.06527	14.5
97.18525	2.6
99.04417	3.3
105.06991	4.8
107.08561	13.2
109.06517	4.3
109.10143	5.7
109.67340	2.8
113.06033	3.2
117.06990	3.3
123.04462	3.3
123.08058	2.9
123.11687	17.4
127.03928	3.3
137.05972	4.8
139.61522	2.5
148.03938	2.8
151.09943	6.3
151.11165	100.0
163.03932	3.7
169.12224	83.3
185.89203	2.5
187.81235	2.5
190.74817	2.6
205.08757	3.2
205.12221	4.3
222.04024	6.7
222.11200	2.6
222.13423	5.6
232.52559	3.1
236.80614	2.8
238.05225	12.0
384.13449	55.0
385.14209	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	385.0313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45700	0.6
56.96555	6.2
57.39558	0.9
58.03917	0.6
62.88028	0.7
69.57445	4.9
71.95236	1.3
84.79496	0.7
96.98859	0.7
98.97572	43.7
99.97920	1.1
101.00867	0.9
116.98610	48.2
117.98915	1.1
118.98184	1.6
119.01894	4.8
126.90022	0.7
128.15839	0.6
134.99648	38.2
136.00000	1.4
137.02986	2.2
138.29396	0.7
140.00166	1.8
153.00710	7.0
158.01274	1.8
177.00928	15.2
177.02411	1.1
178.01073	1.2
179.00728	0.8
201.00888	0.8
217.04085	2.3
218.03596	0.8
219.01994	24.3
219.86110	0.7
220.02155	2.2
221.01854	2.0
225.00960	1.7
231.41656	0.6
234.99828	2.6
235.99913	0.8
236.99831	3.9
237.99811	0.8
240.98671	1.5
242.03526	1.1
242.98633	2.9
243.01933	7.1
255.00931	1.0
258.99756	21.8
260.00006	8.2
260.99686	24.9
261.03055	100.0
262.00052	2.0
262.03247	6.6
263.03043	2.3
276.98398	0.7
277.00827	39.2
278.00980	12.2
279.00656	49.2
280.00903	3.0
282.01416	1.6
283.00009	5.8
284.00180	2.3
284.04501	3.9
284.99731	15.5
285.99817	3.5
300.02429	1.6
301.00970	12.2
302.01312	6.2
303.00836	31.9
304.00992	7.9
305.00766	1.3
318.98544	0.7
321.01935	2.5
326.02338	1.4
343.02106	3.7
361.01260	8.2
362.00500	0.9
367.01984	2.2
379.02502	4.4
385.03387	13.7
398.98138	1.1
403.00262	7.0
403.04208	18.2
404.04785	1.3
408.04620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1126
Annotation	Mandshurin
Peak:m/z	Relative Intensity
53.03920	0.6
57.37437	0.4
57.92819	0.5
69.03408	1.1
69.07035	0.7
70.06580	3.6
70.62813	0.4
71.04983	0.5
71.52031	0.7
71.52432	0.5
77.72157	0.5
79.05482	1.1
81.03409	1.0
81.07060	0.4
85.02889	2.1
85.89635	0.4
87.04437	0.5
91.05466	1.8
93.07004	0.8
95.04962	0.7
97.02875	0.8
97.81254	0.4
98.01454	0.4
105.07067	0.9
119.04942	0.8
119.08531	0.6
121.06442	0.7
123.04410	1.6
127.03909	0.8
133.10123	0.6
135.04427	0.6
137.02365	0.9
137.05945	0.7
145.10072	0.8
147.04366	1.4
152.04700	2.3
161.05943	0.6
161.09523	0.6
163.03897	1.0
165.01808	2.3
167.06995	2.7
177.05437	1.9
177.12788	0.5
180.04181	2.5
193.01311	16.7
194.01717	0.6
205.12184	1.1
208.03648	47.0
209.03996	1.3
223.05989	100.0
223.13243	1.3
224.06383	3.7
238.05309	0.5
239.05626	1.2
325.03613	0.8
329.10635	0.5
346.07410	0.5
385.14478	3.4
385.22421	0.9
386.15842	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01859	3.8
62.55301	1.0
65.03928	1.3
67.05489	2.2
69.03454	0.9
69.48635	8.2
72.30933	1.0
79.05469	4.0
83.01337	1.3
85.02882	3.1
89.03912	1.3
89.06012	2.6
91.05469	3.6
95.04982	5.5
97.02866	3.4
98.21548	1.1
102.27518	1.1
103.05478	5.9
105.07021	50.7
106.07336	1.9
107.04945	2.4
109.02841	1.6
115.03896	1.6
115.05437	15.2
117.06995	3.8
118.04154	5.5
119.04905	1.5
119.08528	1.0
123.04394	7.0
127.03860	2.6
129.06926	1.3
131.04900	5.8
133.06483	53.9
134.06825	1.2
135.04385	1.7
137.05928	1.4
140.04668	2.8
143.04918	2.4
143.06024	4.3
145.02744	1.0
145.06456	6.3
147.04430	2.5
151.03923	2.4
155.06993	2.8
157.05000	1.4
157.06339	1.9
159.04401	1.2
160.05141	2.3
161.05968	100.0
162.06342	3.4
163.03906	1.9
167.07036	24.4
173.05960	4.1
175.03893	2.0
175.06111	1.9
175.07567	2.7
177.05487	2.1
181.04886	2.6
183.06522	3.0
185.05914	1.7
186.03140	1.9
187.07602	1.9
188.04533	1.2
189.05486	2.1
190.06213	3.8
191.07030	3.3
192.07729	1.6
193.08589	52.1
194.08902	2.4
201.05464	3.5
203.07013	2.2
205.08490	5.8
207.06522	8.6
213.05394	1.4
217.05031	1.5
217.08484	1.5
219.06514	3.9
221.08295	2.3
223.09624	1.4
229.05009	1.9
231.06560	6.4
233.04428	7.0
233.08069	3.3
234.08772	1.5
235.06041	1.2
235.09607	1.4
243.06615	1.4
249.07549	2.6
251.05392	1.3
251.06564	1.6
251.09131	21.4
253.07564	2.2
261.07614	11.0
263.09116	2.3
273.07455	1.5
275.09103	4.2
277.07016	1.5
279.08615	2.2
289.06946	2.0
291.08466	1.2
293.10083	2.6
307.08035	3.3
385.14209	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1488
Annotation	Hymenoside T
Peak:m/z	Relative Intensity
53.03941	4.3
55.01849	4.8
57.03408	5.5
59.04993	36.9
61.02910	4.2
64.60929	3.4
68.99763	3.2
69.03425	35.8
69.71887	24.2
70.06593	23.8
79.05470	6.0
81.03418	19.9
83.04951	7.1
83.97296	3.3
85.02428	5.8
85.02899	73.3
87.04444	16.9
91.05463	34.6
95.04955	7.6
97.02911	15.6
103.03903	5.9
105.07014	13.1
107.04935	3.9
109.02879	7.0
109.06548	4.8
115.05445	4.7
115.07858	3.9
117.07005	6.2
118.06533	3.8
119.04964	19.1
119.08562	7.5
121.06517	8.8
121.10135	3.8
123.04396	16.9
123.08066	3.8
125.05971	3.4
127.03893	33.1
128.06241	6.5
129.06996	12.9
131.04883	9.1
133.06476	9.1
133.10066	3.5
137.05972	46.5
139.03893	14.8
143.08507	6.1
145.06465	8.5
145.10057	3.6
146.05975	4.7
147.04411	31.2
147.06473	6.2
147.08040	4.3
149.05986	20.3
151.07513	12.1
157.06454	11.1
160.05128	4.2
161.05960	19.4
163.03882	4.4
163.07492	7.9
163.11169	12.8
165.04178	7.1
165.05469	100.0
167.07031	14.8
170.05870	5.0
171.06586	15.7
173.05960	7.9
175.07574	18.5
177.05460	23.0
179.07066	16.3
181.06441	6.9
188.07005	6.7
189.05630	7.5
189.07544	24.9
191.06999	13.6
195.06499	5.4
199.07549	8.0
201.05455	7.7
203.07010	27.5
205.08644	5.1
205.12093	3.3
206.08167	20.2
207.06543	6.5
217.08565	11.5
219.06453	9.5
221.08028	20.9
227.06944	5.5
233.08022	10.2
241.08580	5.4
245.08121	30.1
263.09207	20.5
281.10028	5.5
285.45547	3.6
310.98740	3.3
385.14523	8.4
386.15775	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	385.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40086	0.3
53.03947	0.4
55.01872	0.5
55.05491	1.0
57.03413	1.3
57.07060	0.7
61.02903	1.2
67.05513	1.5
67.77620	0.4
69.03092	0.4
69.03424	4.1
69.07059	0.4
71.04011	0.3
71.04964	1.0
71.52548	0.5
73.02886	0.9
79.05061	0.4
79.05479	3.3
81.03423	1.7
81.07050	1.8
83.04971	0.3
85.02898	15.4
85.06522	0.4
87.04450	0.6
89.06019	3.8
91.03882	0.4
91.05068	0.3
91.05475	3.0
93.06488	0.4
93.07038	7.3
95.04945	1.7
95.08585	2.0
97.02876	2.0
99.04445	0.5
101.09659	0.7
105.07019	6.8
107.04936	1.1
107.08600	2.4
109.02891	0.6
109.06494	1.1
109.10133	1.6
111.04426	0.5
115.05480	0.3
117.07001	1.6
119.04939	0.3
119.08576	4.7
121.06499	2.4
121.09322	0.6
121.10140	8.0
127.03896	1.0
129.06972	0.4
130.07782	0.6
131.08542	0.7
133.06516	0.4
133.08578	1.4
133.10088	0.6
135.08044	2.6
135.11687	1.5
137.05984	2.0
137.09624	2.3
145.04887	0.8
145.06410	0.3
145.09062	0.4
145.10112	5.3
145.12198	0.7
147.04439	0.5
147.08034	1.8
149.05937	0.4
149.09636	0.8
151.09621	1.6
151.11220	0.5
159.11679	1.3
161.05998	1.7
161.09599	0.6
163.11168	10.5
165.09081	1.7
167.06998	1.6
175.07503	0.8
175.11180	0.4
177.12717	0.7
181.08803	0.4
181.12222	5.3
187.11130	1.0
189.09065	0.7
193.12311	0.4
205.12175	1.7
207.10110	0.7
207.15906	5.4
213.09044	0.4
223.13269	100.0
224.13617	4.6
282.08887	0.4
294.91302	0.3
309.11014	0.4
311.12585	0.6
343.11664	0.7
385.18713	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	386.1593
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
50.59271	0.5
52.19099	0.5
54.03462	0.8
57.03419	0.5
58.06595	0.7
67.05516	0.5
68.99790	1.2
69.03406	1.0
70.06585	100.0
71.06902	0.7
71.52828	0.9
79.05486	0.9
80.34438	0.5
81.03399	1.1
81.07046	1.2
81.11057	0.5
85.02898	2.3
86.09679	0.5
91.05489	1.5
93.07049	1.2
95.04947	1.2
97.02891	1.0
103.05469	1.2
105.07018	1.6
107.04949	2.3
107.08581	0.5
109.02856	0.8
109.06532	0.6
115.05505	0.6
117.06960	0.6
119.04936	2.6
121.06486	2.8
123.04411	13.2
123.08040	0.6
124.83592	0.5
131.04932	0.9
133.06479	0.7
135.04410	1.9
137.05969	1.6
147.04387	8.1
147.05350	0.7
147.08105	0.6
149.05974	5.8
153.05420	0.9
159.04428	0.7
161.05992	2.3
165.05461	4.9
167.07021	6.7
168.07809	1.7
175.07474	0.9
177.05450	49.8
178.05898	0.6
188.10680	0.8
189.05489	0.8
193.08629	1.0
195.01761	0.6
206.11775	0.8
207.06520	1.6
207.13792	1.1
219.06812	0.6
224.06883	0.6
224.12747	0.7
234.11160	4.2
328.26337	0.5
329.10153	11.8
330.10361	0.6
331.42169	0.5
386.12259	1.6
386.15936	40.3
387.16290	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	386.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.7
56.96568	1.4
57.03431	7.2
61.02906	2.1
67.05522	1.2
69.03429	21.2
73.02902	6.6
78.04698	1.5
79.05472	2.1
81.03407	6.0
81.07056	2.5
84.04469	1.2
85.02902	36.2
85.06523	1.4
86.04585	1.2
87.04449	8.3
91.05453	3.4
93.07037	3.7
95.04966	5.8
97.02887	19.7
99.04456	3.3
103.05505	1.6
104.39162	1.6
105.07036	4.3
106.04140	2.3
107.04980	3.4
107.08616	2.3
109.02870	5.1
115.03920	21.2
118.06528	5.5
120.00250	1.4
120.08099	5.5
121.06507	3.1
123.04411	9.5
123.08009	1.6
124.05183	1.6
127.03910	10.5
133.04950	19.2
133.06493	1.8
134.05943	1.7
135.04364	2.6
135.07959	1.4
136.07584	2.6
137.05969	3.3
139.03914	2.1
145.04955	16.7
145.06473	2.4
147.04404	4.1
149.05957	3.6
151.03897	3.3
151.07510	2.4
153.09074	2.1
161.05994	3.3
163.03960	2.3
163.06070	7.6
163.07390	2.3
164.06969	1.8
165.09235	1.8
167.07033	100.0
175.06247	7.0
181.08591	4.5
193.08632	4.0
206.04558	1.7
206.08156	2.6
211.09645	2.7
224.09181	3.4
224.12762	2.6
230.58960	1.4
235.02318	1.8
259.08151	2.1
282.96854	1.6
338.39972	1.6
382.61649	1.4
386.14713	5.1
387.16589	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84801	0.7
53.03929	0.9
55.01857	1.8
55.05497	2.2
55.42172	0.7
55.50625	0.7
57.03426	4.2
61.02915	3.4
62.56252	0.8
67.05485	0.9
69.03425	10.9
70.76608	1.6
70.77000	1.5
71.01305	0.7
71.04978	0.9
73.02910	9.9
78.04696	1.9
79.05489	1.5
81.03407	2.4
81.07047	1.8
83.04964	3.3
83.57991	0.7
85.02901	25.0
87.04462	4.5
89.06030	1.0
91.03931	1.3
91.05451	2.0
93.07015	1.7
95.01305	1.7
95.04939	1.2
97.02885	14.5
99.04415	1.9
105.07022	1.4
105.07710	0.7
106.04169	0.7
107.04935	2.7
107.08569	1.2
109.02852	2.1
109.06461	1.2
109.10157	1.0
115.03918	10.7
121.06493	1.7
123.04430	6.5
123.08052	0.8
124.05191	1.5
125.09642	0.9
127.03894	6.0
133.04961	11.7
133.06476	1.6
137.05997	1.3
141.01866	0.8
145.04938	9.2
149.05942	2.0
149.09637	1.5
150.07593	1.1
151.03888	1.2
152.04654	1.5
161.05920	1.1
163.06015	4.4
163.11186	1.0
167.07024	100.0
174.26750	0.7
181.08611	1.7
185.39743	0.8
193.08574	2.9
206.07881	0.9
207.13803	0.8
211.09634	3.1
225.10953	1.7
225.14801	4.1
235.59183	0.8
241.07060	1.5
243.24304	0.8
259.08176	1.4
329.51297	0.9
351.11478	0.8
386.14990	0.9
387.16354	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	387.1283
Annotation	Axitinib
Peak:m/z	Relative Intensity
69.03391	0.2
69.76430	0.7
69.76843	0.7
77.03883	0.3
78.04707	1.4
78.72763	0.2
79.05482	1.1
83.57003	0.2
85.02881	1.0
91.05457	0.9
93.07054	0.5
95.01314	1.2
95.04954	0.8
98.21413	0.3
103.05438	0.4
105.07011	0.9
106.04157	0.9
107.04955	1.5
109.02888	0.3
109.06497	0.3
119.04949	0.4
121.06503	1.3
122.03646	0.4
123.04423	4.6
124.05201	1.8
129.01804	0.3
133.06447	1.1
134.03598	0.5
135.04451	0.3
137.05949	0.6
140.75996	0.2
141.01840	0.7
144.11372	0.2
149.05960	1.4
151.03905	0.8
152.04695	1.4
153.96228	0.2
161.05981	1.3
165.09106	0.2
166.06224	0.4
167.07027	100.0
168.07401	2.1
177.03908	0.4
179.07057	0.3
181.08568	1.8
193.08580	3.8
207.13768	0.4
211.09648	3.1
387.12216	0.2
387.16415	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83489	0.3
53.03939	0.7
55.01862	0.5
56.96541	0.5
57.03421	0.7
68.15647	0.4
69.03421	1.9
70.06590	0.4
71.51796	0.7
73.02901	0.5
74.34678	0.3
78.04692	1.3
79.05474	1.0
80.77953	0.4
81.03394	1.0
81.07042	0.4
85.02888	4.7
91.05469	0.9
93.07042	0.7
95.01311	1.4
95.04955	1.1
97.02887	1.5
98.97550	0.9
103.05440	0.7
105.07028	1.4
106.04183	0.7
107.04927	1.3
107.08601	0.3
109.06458	0.5
113.91169	0.4
115.05456	0.4
116.98515	0.5
119.01914	1.6
119.04912	0.6
121.06480	1.0
121.10120	0.6
123.04402	4.6
124.05224	2.1
127.03886	1.6
133.06433	0.8
133.10065	0.6
134.99643	0.4
137.05934	1.8
141.01752	0.7
143.01926	0.5
145.04933	0.8
147.04379	1.1
149.05930	1.4
151.03868	0.9
151.07555	0.5
152.04634	1.3
153.01454	0.4
161.02962	1.5
161.05963	1.3
162.03053	0.7
163.03937	1.0
167.07019	100.0
168.07352	1.8
168.69467	0.4
173.02942	0.6
177.05432	0.5
179.07002	0.3
179.09109	0.5
181.08557	1.4
193.08563	3.6
211.09642	3.5
225.03896	0.5
245.04942	0.5
246.05234	0.5
247.04832	0.6
301.67261	0.4
351.15759	0.5
387.14035	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1434
Annotation	Magnolone
Peak:m/z	Relative Intensity
55.01861	0.7
57.03415	0.3
59.27304	0.3
65.03930	1.0
66.04710	0.4
66.37268	0.3
67.05476	0.9
70.67828	1.0
79.05474	0.8
81.03379	0.3
81.07026	0.4
82.04185	0.4
84.35994	0.3
85.02913	0.6
91.05466	1.4
93.07082	0.3
94.04169	2.9
97.06545	1.7
100.79441	0.4
103.05452	1.7
105.07027	0.7
106.04161	0.4
107.04938	1.0
110.03678	0.6
111.04400	0.5
115.05438	1.5
117.06993	1.4
122.02753	0.5
122.03635	7.3
123.04425	0.7
127.05409	0.4
131.04918	2.1
133.06508	0.4
137.05960	100.0
138.03159	0.3
138.06282	2.1
139.03880	3.0
142.02655	0.5
143.04886	3.1
145.06459	2.3
148.05157	0.7
149.06023	0.5
151.03886	4.7
151.04984	0.5
153.05450	0.4
155.06041	0.4
161.05968	1.1
163.03867	1.3
163.07501	1.6
165.05492	0.4
167.07024	10.9
167.69647	0.3
171.04442	0.4
171.06494	0.7
173.05968	3.3
175.07561	1.3
175.65636	0.4
177.05429	0.5
181.04930	14.6
189.09160	0.5
191.05426	0.4
191.07028	4.9
191.22635	0.3
192.07141	0.4
193.08638	0.6
203.07001	1.6
205.08553	1.9
219.10181	1.1
233.08066	1.1
235.09569	1.8
325.10501	0.4
325.36145	0.3
355.11899	0.4
357.13278	12.5
358.13385	0.4
369.13080	0.6
387.14325	27.0
388.14722	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1432
Annotation	(-)-5'-Demethylyatein
Peak:m/z	Relative Intensity
50.65268	0.4
53.03941	0.9
53.53905	0.3
55.01868	1.2
55.05500	0.4
57.03421	1.1
61.02908	1.2
65.03928	1.2
65.33424	0.4
67.05502	1.1
67.07618	0.3
68.43686	0.4
69.03419	3.0
69.07059	0.6
71.04974	0.6
71.44800	0.7
73.31443	0.4
77.03945	0.4
78.04733	0.4
79.05489	3.3
81.03400	1.2
81.07034	1.4
82.04185	0.4
83.04961	0.7
85.02906	5.9
91.05474	3.7
93.07035	1.1
94.04173	3.4
95.04955	1.6
95.08604	0.9
97.02877	2.0
97.06529	0.5
99.04433	0.6
100.69030	0.4
103.05433	2.7
105.03385	0.5
105.07027	4.3
107.04939	3.8
107.08576	1.7
109.02878	0.7
109.06496	1.2
109.10166	0.6
110.03650	0.4
115.05432	2.6
117.07043	2.8
119.04910	0.7
119.08565	1.2
121.06484	1.9
121.10135	1.1
122.03638	7.6
123.04436	2.2
123.08042	3.1
124.05199	0.9
125.06004	0.7
127.03893	1.2
129.06989	0.6
131.04932	3.1
131.08556	0.8
133.06483	3.1
133.10104	1.6
135.04417	0.5
135.08061	1.7
137.05968	100.0
138.06285	1.9
139.03874	1.6
143.04898	2.5
144.05717	0.5
145.05049	0.9
145.06474	3.4
145.10173	0.4
147.04399	2.4
147.08066	0.6
147.11697	1.9
149.05957	0.8
149.09625	1.4
151.03944	2.8
151.07521	4.3
151.11201	0.7
152.04678	0.5
153.05453	0.6
155.06119	0.7
157.06479	0.4
159.11647	0.6
160.05171	0.4
161.05984	3.2
163.03827	1.8
163.07529	6.4
163.11224	2.3
165.09134	0.7
165.12747	0.8
167.07030	23.6
171.06560	0.7
172.05176	0.5
173.05995	4.3
174.06555	0.4
175.07576	1.4
177.05467	0.9
177.09128	0.7
177.12817	0.9
179.07051	1.4
181.04944	12.4
181.08510	2.2
181.12213	1.2
187.07512	1.0
189.09082	0.9
189.12715	1.4
193.08601	6.5
201.09081	0.6
203.07002	2.0
203.08704	0.5
205.04973	0.6
205.08537	3.3
207.13783	16.8
217.08563	0.6
221.08078	0.6
225.14792	1.8
231.08113	1.0
233.08083	1.5
235.09584	2.8
236.09215	0.4
277.08813	0.5
280.80203	0.4
291.10205	0.6
295.13303	0.6
323.12836	1.3
355.15344	3.0
357.13324	12.8
369.13168	0.5
387.14340	26.1
387.19727	4.1
388.14764	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	387.1797
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
70.42797	6.9
70.43190	8.9
79.05482	10.1
91.05487	8.1
94.04192	4.4
95.04954	9.2
100.50594	3.5
103.05453	8.6
105.07029	9.6
107.04958	10.5
108.05710	4.1
115.05457	4.2
117.07026	5.1
121.06499	21.2
122.03626	7.6
123.04388	4.4
128.06248	4.1
129.07013	5.5
131.04884	4.7
133.06488	4.0
135.04378	3.6
135.08066	19.7
136.05132	4.0
137.05966	93.6
138.06644	6.1
139.07510	6.4
144.05597	4.3
145.06453	18.6
146.07246	22.4
149.05911	3.7
150.06822	4.2
151.03842	5.1
151.07530	100.0
152.04669	4.7
153.05450	7.5
157.06512	4.1
158.07304	5.8
159.08052	5.1
160.08788	4.1
161.06000	3.7
162.06738	7.2
163.07544	26.4
165.05469	36.3
165.09167	17.8
167.07030	38.6
172.08827	9.1
173.05978	8.8
174.06738	5.5
175.07581	4.8
176.08212	5.0
177.09113	32.6
181.04991	15.3
188.08327	20.4
189.09087	71.5
190.09723	7.4
191.07045	13.1
191.10670	11.0
193.08606	15.1
195.10150	58.3
202.24574	3.3
203.10646	32.6
205.08585	5.7
215.10640	32.1
219.10184	4.5
221.11682	8.8
233.11685	35.7
235.07587	4.4
249.11278	7.6
263.10739	7.2
276.11371	4.4
278.09247	5.1
279.10150	5.1
281.11731	6.2
293.11798	4.7
294.12622	3.7
295.13016	3.9
307.13135	3.8
308.14191	8.3
309.11371	4.1
324.13501	8.4
325.14185	10.4
338.15253	4.0
339.15811	13.1
357.13312	11.0
357.17044	9.6
369.13101	5.0
369.16989	37.9
370.03790	4.0
387.13834	21.4
387.18427	8.1
411.78662	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	387.1798
Annotation	Arctigenin methyl ether
Peak:m/z	Relative Intensity
51.24633	0.2
53.03938	0.2
55.01849	0.2
65.03934	0.5
66.04707	0.2
67.05495	0.2
70.83611	0.5
77.03881	0.2
77.65706	0.2
78.04704	0.3
79.05492	0.8
80.06263	0.7
90.04692	0.3
90.40550	0.1
91.05475	3.2
93.03384	0.2
93.07041	0.3
94.04176	0.7
95.04997	0.3
103.05451	0.6
105.03386	0.4
105.06998	0.4
106.04173	0.4
107.04946	6.6
108.05740	3.6
109.06528	0.4
115.05450	0.7
116.18791	0.1
117.07002	1.3
118.04143	0.4
119.04943	0.4
121.02891	0.2
121.06496	3.6
122.03636	1.6
122.96690	0.2
123.04422	0.3
125.05939	0.2
131.04947	0.9
133.06479	0.7
135.04410	1.9
136.05176	2.3
137.05971	14.8
138.06320	0.6
139.07565	0.3
143.04881	0.3
145.06476	1.6
146.03658	0.2
146.07262	4.1
147.04413	0.3
147.08047	1.1
148.05206	0.2
149.05951	2.2
149.09604	0.2
150.06729	0.3
151.07530	100.0
152.07854	2.5
157.06506	0.3
159.08076	0.4
161.05969	0.5
162.06723	1.5
163.07523	1.3
165.05469	2.3
165.06772	0.3
165.09074	1.6
167.07040	2.1
171.06499	0.3
171.08034	0.2
172.08830	0.3
173.05949	0.9
174.06747	0.2
175.07481	0.4
177.09090	9.5
178.09439	0.4
179.07016	1.8
181.04947	2.8
187.07477	0.2
188.08302	0.7
189.09036	0.9
191.06999	2.7
191.08580	0.2
193.08606	0.6
201.09198	0.3
203.10690	0.7
205.08636	0.7
207.60086	0.2
215.10684	0.5
217.08585	0.2
218.09334	0.2
231.10196	0.7
235.09692	0.3
245.09694	0.5
247.11137	0.2
261.09180	0.4
262.09814	0.2
263.10629	0.3
265.08707	0.1
273.09116	0.4
274.10013	0.2
277.12207	0.3
278.12894	0.8
288.11438	1.7
289.08588	0.5
289.12137	0.5
290.09198	0.2
293.11728	0.2
294.12549	0.2
304.10959	0.6
305.11600	0.9
306.12122	0.2
309.14786	1.7
319.13260	6.0
320.13876	1.1
321.11215	0.3
335.12741	0.2
336.13351	0.3
337.14252	1.5
351.15878	2.6
357.13260	1.9
369.12738	0.2
369.16949	2.5
379.57806	0.2
387.13992	3.0
387.18173	0.5
388.14835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1797
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
51.02391	0.4
52.96666	0.4
53.03942	1.2
55.01868	0.8
59.12332	0.3
65.03930	1.3
66.04723	1.4
67.05485	0.9
68.99770	0.5
69.03441	0.5
69.70165	1.9
71.11918	0.3
77.03918	0.3
77.07050	0.3
79.05488	5.6
81.03418	0.7
81.07049	1.4
82.04185	0.4
85.02889	0.8
91.05472	1.9
93.07023	0.6
94.04178	4.7
95.04945	2.2
103.05454	1.8
105.03393	0.7
105.04488	0.4
105.07028	0.6
107.04914	2.0
109.02840	0.7
109.06524	2.5
110.03654	0.4
115.05444	1.1
117.07008	1.5
119.04935	0.5
121.02882	0.6
121.06509	1.5
122.03635	8.2
123.04423	0.4
123.08002	0.4
124.05267	0.4
125.06026	0.6
126.03078	0.6
131.04889	1.6
133.06476	0.8
136.05153	1.4
137.05959	66.7
138.03076	0.5
138.06313	1.8
139.07526	1.1
141.05403	0.4
143.04918	2.3
145.06493	2.2
145.10080	0.4
146.07256	1.2
147.08017	0.6
148.05174	1.1
149.05925	0.6
150.06760	0.9
151.03899	3.9
151.04967	0.7
151.07523	7.7
153.05492	0.4
155.05942	0.4
155.07031	5.1
158.07242	0.5
159.08064	0.5
161.06001	0.9
162.06679	0.6
163.07524	1.5
165.05450	100.0
165.09053	3.8
166.05786	2.4
167.07018	8.7
171.06483	0.9
172.08824	0.6
173.05971	2.5
173.09499	0.4
174.10370	0.4
175.07539	1.0
177.09074	2.9
179.10605	1.5
181.04926	11.7
181.06514	0.6
181.08440	0.3
188.08321	1.3
189.09097	0.5
191.07022	3.7
191.10649	0.6
193.08536	1.2
203.06946	1.6
203.10591	2.1
205.08577	1.4
205.12207	1.2
207.08095	0.4
209.08067	0.8
219.10133	1.5
231.10054	1.2
233.08020	0.7
235.09608	1.1
245.08194	0.5
249.11200	1.0
286.11862	0.4
315.15753	1.2
320.13904	0.6
341.17236	0.5
351.11890	0.4
351.15839	0.9
355.15222	0.5
357.13278	7.5
358.13565	0.6
369.16989	2.0
387.14105	16.0
387.18063	4.8
388.14420	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1799
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
51.02385	0.3
53.03946	1.3
55.01868	1.4
55.05517	0.3
64.38097	0.2
65.03933	1.0
66.04706	1.3
67.05506	0.3
68.99788	0.3
69.03424	0.4
69.73507	1.3
71.19023	0.2
77.03931	0.6
79.05482	4.1
79.05913	0.4
81.03428	0.4
81.07037	1.1
82.04216	0.2
83.04999	0.3
85.02923	0.3
91.05496	1.1
92.02639	0.3
93.07043	0.4
94.04179	3.5
95.04959	2.1
98.21431	0.4
98.90807	0.2
103.05454	0.8
105.03381	0.5
105.04498	0.6
105.07021	0.4
107.01305	0.3
107.04929	1.1
109.02895	0.4
109.06508	2.2
110.03629	0.3
111.00845	0.2
115.05453	0.8
117.07005	1.0
118.04088	0.2
119.08458	0.3
121.02859	0.7
121.06515	0.7
122.03637	5.7
123.04455	0.3
124.05190	0.2
126.03123	0.7
131.04935	0.8
135.04469	0.3
136.05222	0.2
137.05965	32.0
138.06313	0.7
139.07513	0.4
141.05450	0.4
143.04889	0.8
144.05695	0.2
145.06461	0.9
146.07240	1.1
148.05161	0.4
149.05962	0.5
150.06714	0.3
150.56682	0.2
151.03911	2.1
151.07533	2.6
155.05809	0.3
155.07027	4.9
161.05983	0.5
162.06723	0.5
163.07574	0.9
165.05455	100.0
165.09074	2.5
166.05756	2.2
167.07013	4.5
171.06523	0.3
173.05977	1.2
174.06583	0.3
175.07533	0.5
176.04726	0.3
177.09091	2.5
178.09682	0.3
181.03387	0.4
181.04936	6.2
181.08546	1.1
188.08287	0.4
189.08948	0.3
191.07019	2.4
192.07520	0.3
193.08557	0.8
195.10101	0.2
203.06982	0.7
203.10628	0.5
205.08546	0.9
205.12216	1.4
219.10179	0.9
231.10155	0.5
233.08113	0.4
233.11560	0.2
235.09572	0.7
249.11168	0.4
292.32724	0.2
293.11420	0.4
327.12134	0.3
351.15961	0.4
355.15381	1.0
357.13284	4.0
357.17307	0.3
358.13428	0.4
369.16763	0.4
387.14090	7.1
387.18005	4.1
388.14108	0.5
388.18573	0.4
414.18155	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95266	0.6
53.03930	2.2
58.20709	0.5
65.03941	0.5
66.04696	1.0
67.05493	0.6
67.48820	0.6
69.03419	0.8
77.03908	0.9
78.62249	0.6
79.05471	6.9
81.07034	1.9
91.05458	2.2
94.04179	3.5
95.04952	2.8
103.05476	2.9
105.03384	0.7
105.04485	0.8
105.07020	5.6
107.04947	3.0
107.08569	0.7
109.02852	0.8
109.06512	2.5
115.05491	1.0
117.06993	0.7
118.04179	1.3
119.04910	0.9
120.05704	0.7
121.06464	1.7
122.03635	4.2
122.07224	0.7
124.05183	2.8
125.05954	0.7
126.03078	0.8
133.06467	4.1
134.07193	3.4
135.04407	3.0
135.08005	0.8
136.05139	0.6
137.05952	13.6
139.07494	2.3
140.41411	0.6
145.06453	1.1
146.07230	1.4
150.06740	11.5
151.07521	11.9
155.06995	5.6
161.05948	0.6
162.06735	1.2
163.07520	1.3
164.08224	0.6
165.05447	100.0
165.09085	88.3
166.05797	2.3
166.09444	2.8
167.07011	2.0
174.06689	0.8
174.10378	0.6
177.09058	1.5
179.10620	1.4
181.04944	2.4
181.08534	1.0
188.08214	0.8
189.09129	1.3
191.07004	1.2
193.08563	4.7
203.10634	2.2
205.08546	1.6
205.12117	0.9
209.08003	1.2
210.64044	0.7
221.11635	0.7
229.76564	0.7
231.10100	0.9
233.11838	0.6
249.11159	1.3
274.72702	0.5
279.03439	0.6
312.13507	1.5
320.13800	0.7
326.15244	0.9
341.17361	1.5
357.13260	1.0
369.16962	1.8
384.39700	0.6
387.14191	2.6
387.18085	2.5
388.35928	0.5
404.90659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01864	1.0
55.05496	1.2
57.03432	2.1
59.05000	0.5
60.67926	0.4
61.02921	2.3
65.03915	0.5
67.05464	0.9
69.03085	0.5
69.03423	7.5
69.07028	0.6
70.06566	0.8
70.53116	0.9
70.53491	1.0
71.04968	1.6
72.28780	0.4
73.02885	1.1
76.38277	0.4
77.03893	0.4
78.04687	2.1
79.05470	1.9
80.66972	0.4
81.03411	2.8
81.07044	3.2
81.92547	0.5
83.04945	2.1
85.02897	16.7
85.06521	1.4
87.04430	0.5
87.84384	0.4
91.03907	1.0
91.05481	3.6
93.07045	3.4
95.01299	1.6
95.04964	3.2
95.08598	1.4
97.02892	5.1
97.06477	0.7
99.04429	2.0
103.05431	0.6
105.07016	4.5
106.04135	1.0
107.04962	2.5
107.08577	3.3
109.02853	2.1
109.06492	2.7
109.10125	0.8
111.08076	0.6
114.58229	0.4
115.03917	0.7
117.06972	1.2
119.04895	0.8
119.08545	2.7
121.06504	3.0
121.10130	4.3
122.06053	0.7
123.04402	6.7
123.08060	4.2
124.05219	2.3
125.05948	1.9
127.03908	4.7
129.06944	0.5
130.07750	0.8
131.08528	1.3
133.06458	1.8
133.10085	1.8
135.04485	0.6
135.05495	1.0
135.08040	0.9
135.11661	2.1
137.05974	3.6
137.09534	0.5
139.03857	0.6
139.07518	1.7
141.01807	0.8
145.04921	3.6
145.10129	4.1
147.04402	0.6
147.08031	1.0
147.11639	1.0
149.05942	1.9
149.09592	1.5
151.03896	1.0
151.07530	10.2
152.04657	1.6
159.11687	0.6
161.05946	1.7
161.13242	0.8
163.11165	29.3
164.07095	0.6
164.11517	0.7
165.05455	1.4
165.12747	0.9
167.03392	2.0
167.07018	100.0
168.07341	4.0
171.11676	0.5
174.10400	0.5
175.62854	0.4
177.05463	0.7
179.06949	0.7
181.08546	2.2
181.12216	8.8
189.07132	0.6
189.12744	4.7
193.08582	3.9
203.07364	0.7
207.13785	12.9
208.14085	0.6
209.08139	0.6
209.15416	1.1
211.09668	3.3
223.13271	0.5
225.12773	0.6
225.14841	2.1
226.10674	1.0
233.05435	0.4
311.45032	0.5
325.16415	0.6
369.19122	1.3
387.16217	22.5
387.20108	1.9
388.16464	1.9
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	(6R,9R)-Roseoside
Peak:m/z	Relative Intensity
53.03937	4.3
55.01873	4.4
55.74553	1.8
57.03426	6.6
57.07076	4.4
59.04985	3.0
59.35142	1.8
59.56247	1.7
61.02925	10.8
67.05491	6.0
69.03419	26.3
69.70187	11.1
69.70586	3.8
71.04990	4.6
73.02932	4.6
79.05477	6.5
81.03404	13.9
81.07052	7.3
83.04981	5.3
85.02898	79.0
85.06544	3.4
87.04454	4.5
91.03957	5.7
91.05482	4.1
93.07061	5.2
94.04214	2.4
95.04956	4.6
95.08570	10.0
97.02880	28.5
97.06506	4.4
99.04446	6.0
105.07013	9.2
107.04939	2.6
107.08571	5.6
108.05746	2.3
109.02869	10.0
109.06531	4.6
109.10138	2.0
117.07011	2.2
119.08577	5.2
121.06487	4.5
121.10104	7.0
122.03635	6.1
122.07281	3.3
123.08060	65.3
125.06017	5.3
127.03915	18.2
131.08582	2.8
133.06500	5.0
133.10118	7.2
135.08066	2.4
135.11742	2.6
137.05960	76.2
138.06215	2.2
143.04912	1.9
145.04950	40.7
145.06262	2.5
145.06537	2.3
145.10097	5.3
147.08105	2.3
147.11617	4.6
149.09650	4.2
151.03816	2.1
151.07524	100.0
153.05426	1.9
153.09125	2.9
161.05914	1.9
163.06059	2.0
163.11162	63.6
167.07072	9.5
173.05948	3.0
181.04947	12.1
181.12215	41.4
189.12735	21.4
191.14305	3.6
207.13785	83.9
207.15736	4.8
209.15350	7.4
225.14836	15.6
288.33380	2.1
357.13419	8.7
387.14380	26.3
387.20078	65.6
388.20355	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	387.2009
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
50.21959	1.3
53.03947	4.7
55.01863	3.8
55.05491	3.3
55.16158	1.2
57.03421	5.0
57.07087	1.5
61.02914	2.6
62.11118	1.2
67.05502	6.9
69.03420	32.2
69.07068	2.4
70.06589	21.8
70.58102	4.5
71.01348	1.4
71.04978	5.5
71.06924	4.0
73.02911	2.7
73.27361	1.2
79.05489	4.1
81.03418	9.6
81.07044	19.9
83.04957	2.7
85.02898	100.0
87.04447	1.9
91.05475	7.5
93.07040	6.1
95.04956	4.2
95.08593	11.8
97.02888	13.4
99.04435	8.2
103.03932	1.5
105.07018	12.1
107.04974	3.1
107.08582	4.9
109.02881	4.9
109.06511	5.5
109.10143	30.8
109.87118	1.2
111.04440	4.0
115.05417	1.7
119.04901	1.7
119.08581	13.0
121.06512	2.3
121.10135	9.8
122.27017	1.4
123.04428	4.5
123.08063	4.1
123.11692	80.7
124.11981	1.8
125.05982	20.9
127.03902	15.2
131.04837	1.5
131.08559	4.9
133.06491	3.0
133.10115	2.4
135.04425	1.4
135.08110	1.5
137.05977	5.8
137.09631	1.7
139.03917	2.9
139.07558	3.9
145.04965	5.4
145.10104	7.0
147.04353	3.5
147.08041	5.0
147.11668	17.1
149.06004	3.0
149.09601	12.3
151.07529	19.7
156.09314	2.4
159.08025	1.7
160.08942	1.4
161.05943	1.5
161.09592	2.4
161.13246	3.2
163.11194	3.9
165.09108	2.1
165.12720	2.9
167.07022	24.9
167.10684	5.2
169.08629	2.4
171.11688	2.3
172.31818	1.2
174.10408	1.7
177.00700	1.4
177.05463	8.4
178.05803	5.3
181.12149	2.3
189.12704	19.6
191.14247	1.5
193.08580	2.4
203.07208	1.4
207.06430	3.5
207.13777	73.7
225.11015	11.7
225.14815	28.7
226.15042	1.4
249.14679	1.5
251.09198	2.6
253.13518	1.6
333.16946	18.6
351.18005	24.0
369.19122	9.0
387.16089	36.4
387.20197	20.3
388.16284	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2009
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02387	0.9
51.40338	0.7
53.03938	5.0
55.01865	9.0
55.05497	3.5
57.03426	8.8
59.04988	1.0
61.02915	8.0
63.52029	0.8
65.03933	1.0
67.05501	3.7
67.73730	0.8
68.99785	1.9
69.03423	40.2
69.07045	2.3
69.64236	3.3
69.64658	2.2
71.04989	5.6
73.02920	7.0
77.02938	0.7
79.05479	4.7
81.03409	19.1
81.03860	1.3
81.07051	6.4
83.01326	1.1
83.04962	1.7
85.02896	100.0
85.06538	2.1
87.00821	32.2
87.01353	1.8
87.04457	3.0
91.03941	3.1
91.05473	8.1
93.07026	8.2
95.04969	2.1
95.08597	4.9
96.34592	0.7
97.02880	34.6
97.06515	1.5
97.65634	0.7
99.04447	14.1
103.05470	1.4
105.01857	49.1
105.07021	43.8
107.08598	6.3
108.04471	2.2
109.02868	26.8
109.06503	4.3
109.10169	2.8
115.03892	1.3
117.01865	2.8
117.07013	2.4
119.08569	26.4
121.06490	3.8
121.10142	3.7
122.03647	1.9
123.04379	1.0
123.08061	14.2
123.11654	1.1
125.06026	1.3
127.03902	60.6
129.01839	3.7
131.08519	1.7
133.06499	0.9
133.10121	4.8
135.08060	9.6
135.11644	0.9
137.05963	16.8
137.06935	1.3
137.09593	1.5
139.03893	2.3
143.08575	0.8
145.04948	33.6
145.10120	2.3
147.02904	2.1
147.11668	60.9
148.12051	1.9
149.09590	6.4
151.04062	0.9
151.07541	7.0
151.11180	5.7
159.02882	12.8
159.11714	0.9
161.13287	2.2
163.03893	1.0
163.11185	7.5
165.12737	50.9
166.13112	1.2
167.07028	4.0
171.02859	1.0
173.05980	1.3
177.04013	0.7
177.12794	3.3
179.14276	2.1
181.04987	3.7
181.12204	5.5
188.57925	0.8
189.03964	3.2
189.12738	3.1
207.13783	58.6
208.14116	1.7
213.04005	2.2
225.14828	13.6
231.04964	21.9
231.10249	1.1
248.07639	2.3
249.06046	6.0
276.78604	0.8
287.05472	1.0
357.13318	1.7
387.14502	6.0
387.20166	16.0
388.15744	1.9
395.02673	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87419	1.3
51.02417	1.2
52.69072	1.3
53.03909	1.4
55.01862	2.2
57.03404	2.4
64.26192	1.5
67.05482	2.3
68.99780	1.7
69.03391	6.6
71.53455	2.1
73.02880	2.1
79.05456	4.5
81.03385	5.2
81.07001	2.8
82.07325	1.5
83.04932	2.0
85.02894	15.1
87.00813	3.6
91.05472	3.1
92.05808	1.4
93.07011	1.8
95.04984	2.0
97.06506	1.6
99.04411	2.1
103.05429	2.5
105.01846	5.7
105.07018	69.0
106.07328	2.7
107.04917	1.7
107.08563	2.5
109.02876	4.0
115.05429	2.3
115.80262	1.5
119.08519	4.1
121.06493	1.8
122.03599	3.0
123.07999	4.0
124.08410	1.6
127.03862	7.1
131.04860	4.1
131.08540	1.4
132.05237	1.7
133.06436	2.3
137.05951	25.1
138.06293	17.0
139.03865	4.8
140.04948	3.6
145.04919	5.1
147.07996	2.4
151.03885	1.6
151.07567	8.3
152.07851	4.5
154.06453	2.9
155.06006	20.6
159.02846	2.4
161.05890	2.9
162.06215	2.6
163.03867	2.1
163.07484	5.9
164.07816	2.4
164.11383	1.6
166.06570	1.7
167.05905	3.6
167.07115	15.3
168.07373	7.0
169.06236	2.7
169.07571	42.4
170.05940	4.1
175.07443	1.7
178.09303	1.7
179.06013	11.2
181.04898	6.0
181.12160	1.8
182.08450	2.0
183.05530	21.8
183.09175	2.8
185.07094	11.2
187.07353	1.8
193.07396	15.5
194.06047	3.2
194.08916	5.9
195.05498	30.6
196.06277	18.4
197.07066	30.8
198.05429	5.7
199.05042	1.9
201.06477	3.3
207.05562	9.4
207.13701	4.6
208.06221	2.4
208.14108	7.2
209.07014	4.5
211.04999	1.9
211.08615	7.0
213.06554	26.1
213.08760	2.2
219.10207	1.7
221.07074	29.3
223.04938	3.3
225.06552	57.3
229.06068	21.9
237.06511	6.6
238.07323	5.9
239.04495	2.9
239.08090	27.0
241.05960	4.6
243.07578	6.5
249.06479	10.1
253.06024	8.5
255.07559	3.6
257.05542	6.0
265.06085	2.7
267.07620	22.7
268.07681	2.3
269.05487	3.5
271.07114	37.9
277.05957	12.3
285.08646	37.3
295.07059	36.4
313.08133	48.8
324.09625	5.3
324.13110	2.1
328.09210	70.2
329.09427	2.7
331.09253	7.2
342.10477	2.4
352.09076	3.5
356.15549	5.0
358.13489	4.2
370.10229	74.8
371.10342	2.0
388.11188	100.0
388.19272	3.4
389.11453	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	388.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.8
55.01858	3.9
57.03418	5.4
58.06582	1.7
59.94647	1.2
61.02932	1.5
67.05479	1.5
69.03423	36.1
71.04977	8.6
71.52632	2.6
73.02916	1.3
79.05490	1.6
81.03412	27.2
83.01339	2.5
85.02897	48.7
87.00822	28.3
87.04456	4.6
97.02882	69.2
99.04447	27.4
101.02370	1.5
105.01857	23.4
105.07043	8.4
109.02872	10.4
115.03963	1.7
115.05375	1.6
117.07035	1.3
122.69858	1.4
122.72771	1.4
123.08088	1.5
127.03905	100.0
127.51131	1.3
128.04182	1.4
137.05972	11.3
138.06282	4.7
145.04945	71.3
149.09592	1.3
151.07549	2.0
161.05777	1.3
163.11102	1.7
167.07077	2.7
171.02870	3.3
172.93124	1.4
181.04866	1.7
191.14348	2.2
208.14171	2.5
213.03845	2.3
219.10170	1.8
231.04985	60.1
249.06021	23.7
249.64206	1.3
358.13766	1.7
388.14658	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	388.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01137	1.3
53.03949	5.6
55.01870	8.5
57.03432	7.5
61.02910	6.4
65.65208	1.0
69.03426	34.9
69.78204	6.7
71.04986	5.1
73.02911	6.9
79.05472	1.6
81.03410	24.2
85.02900	100.0
86.03227	2.3
87.00821	38.2
93.07049	1.4
97.02890	28.7
99.04446	14.4
105.01857	67.3
105.07037	11.6
106.02181	1.2
106.07395	1.4
108.04492	3.3
109.02873	28.5
115.03945	1.5
117.01834	2.7
119.08588	1.8
120.08932	1.3
126.05507	1.4
127.03911	71.8
128.04253	1.3
129.01872	2.4
137.06030	1.6
145.04956	38.7
147.02892	2.1
147.11687	2.6
148.12033	2.4
159.02881	14.4
162.70764	1.2
164.55766	1.3
165.12747	2.1
166.13049	2.7
189.04019	4.0
197.27997	1.1
207.13783	1.5
208.14149	4.9
213.03885	3.1
213.09225	1.5
231.04971	27.2
248.07613	2.3
249.06067	5.7
408.50873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
55.50343	2.1
57.07059	1.8
69.03399	2.3
70.25951	4.0
70.26334	5.5
71.05009	2.3
74.83067	2.0
78.77615	2.1
79.05496	7.3
79.30219	2.0
82.08060	1.9
82.26244	1.8
84.04501	2.8
90.63956	2.5
91.05479	7.3
94.04164	3.7
95.04951	3.2
96.04491	8.5
96.05052	2.1
98.20798	2.2
103.05466	5.0
105.07023	11.3
107.04951	6.1
108.05734	2.3
109.06516	4.5
110.78781	2.2
113.05994	2.5
115.05485	2.8
119.04926	7.0
121.06500	10.0
122.03652	4.6
125.05975	4.9
126.05493	5.1
131.04932	5.3
133.06493	5.7
135.04384	20.4
135.08116	2.0
136.05188	4.3
137.05959	25.2
138.06294	10.4
139.07483	3.9
144.06558	9.5
145.06511	3.6
146.07188	4.4
147.08029	2.2
148.05217	3.7
149.05978	7.0
150.06723	10.1
151.07533	81.6
152.07918	6.3
155.07022	4.4
161.05986	5.8
163.07533	6.5
164.08165	2.4
165.05466	41.9
165.06868	4.6
165.09100	76.2
166.05798	26.5
166.09445	28.9
167.07121	3.6
175.07544	3.7
177.09091	16.3
179.10565	3.5
181.04987	4.0
183.08051	3.9
183.30658	2.1
189.09088	8.9
193.08565	3.3
195.08049	6.7
209.09674	7.5
210.10338	5.5
211.07530	6.0
212.08191	2.0
225.09019	4.9
225.52164	2.0
226.09853	4.0
227.10661	4.3
238.09900	3.8
239.07021	2.6
241.12231	15.2
254.09503	6.8
255.10147	19.1
256.26596	2.7
269.11703	17.4
270.12460	32.4
271.09534	9.9
273.14728	4.3
286.11935	16.5
301.14319	100.0
322.23602	3.7
335.12921	3.4
353.13742	10.8
371.14651	4.6
388.14542	6.6
400.04016	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50986	9.8
56.03620	10.7
60.98447	9.5
61.15900	9.6
69.25718	100.0
70.06577	8.5
75.72572	9.5
76.63586	10.0
78.39745	8.9
91.05461	15.8
110.82338	10.1
122.65736	8.5
137.06006	12.7
142.62422	9.8
148.12032	9.2
151.07513	51.2
165.09116	29.4
168.72865	10.4
179.10612	62.7
217.12292	16.4
388.40961	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1438
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
51.75433	3.6
56.19851	3.5
69.03392	4.0
69.41360	27.3
71.04969	3.0
73.02897	3.8
75.89456	2.9
81.03413	7.7
81.07056	5.0
82.49781	2.7
85.02879	13.3
85.12474	2.7
95.04966	7.3
96.69223	3.2
97.02854	6.9
97.06439	2.7
98.20757	6.8
105.06978	4.5
107.08596	4.6
109.06517	5.0
115.23316	3.0
121.02837	6.0
123.04404	6.5
124.07594	8.6
133.06474	3.5
133.10153	5.9
137.05949	3.8
140.04686	7.8
142.08615	3.8
143.08150	4.9
151.03893	4.1
155.06967	10.8
155.45279	3.5
167.07072	4.0
175.07503	3.3
181.04979	16.0
205.08768	4.0
209.08069	4.8
209.15280	6.1
227.09113	23.8
227.12575	4.1
227.16432	5.2
389.17850	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01854	3.5
55.05494	2.4
56.96563	26.2
57.03415	4.8
61.02899	8.2
63.29544	1.9
65.03912	2.9
67.05482	4.1
69.03426	22.7
69.44681	9.9
69.45107	4.8
70.06569	3.0
70.98071	2.3
71.04940	2.2
72.04498	2.4
73.02891	4.9
79.05449	2.9
81.03395	8.1
84.08103	5.4
84.95996	5.8
85.02432	2.5
85.02898	33.5
86.03225	3.5
86.09666	2.2
87.04429	8.1
89.03882	2.8
91.03922	3.3
91.05446	5.5
93.05727	2.1
95.04913	2.2
97.02873	20.1
98.21609	1.9
98.96939	2.4
98.97574	47.7
99.04449	4.4
101.00868	2.3
106.06529	5.8
107.04927	3.6
108.08110	78.0
109.02832	5.1
110.97531	6.0
116.96850	1.6
116.97839	1.9
116.98617	31.3
117.02088	1.8
119.01913	9.5
119.04882	8.9
122.03684	2.0
122.06025	10.3
123.04432	3.0
123.06746	2.7
124.07592	14.1
127.03922	13.0
128.98596	14.9
129.10237	2.1
131.00116	3.5
131.01886	6.7
133.03474	3.1
134.06003	27.7
134.99628	15.7
135.04347	3.5
136.07542	15.6
137.03003	2.8
137.05959	24.0
138.05403	2.7
138.06335	4.0
139.03854	3.4
140.07043	6.3
143.00136	4.5
143.01900	9.5
145.01691	3.7
145.02747	1.9
145.03433	1.8
145.04880	4.5
146.99635	12.6
147.04350	21.9
148.03777	3.5
148.04816	3.3
148.07463	2.8
149.01244	2.9
149.07094	2.3
151.08632	28.9
152.07050	97.4
153.07339	4.2
154.08653	2.2
155.01846	2.9
155.04623	5.8
157.03444	2.4
158.01103	2.1
158.99657	12.1
161.01175	5.5
161.02902	18.4
163.02625	3.6
163.03841	7.2
163.08623	2.1
164.07010	3.4
166.04967	11.6
166.55467	2.1
167.07062	2.8
170.99570	2.3
171.05045	2.1
173.01401	2.9
173.02888	8.7
173.04153	1.7
173.06540	2.8
175.02745	3.3
177.00677	16.8
179.07021	5.4
183.85373	1.6
185.01236	1.9
185.02930	2.4
189.00710	2.2
189.02441	1.8
189.04254	4.9
190.04921	2.2
201.00668	4.9
203.02211	2.0
203.03909	5.3
209.09196	32.0
210.07498	3.4
215.07570	2.1
218.03908	2.0
219.01781	13.4
219.04999	2.3
221.05070	8.9
227.02197	3.2
227.06850	3.7
227.10263	52.9
232.96576	2.1
234.05687	2.9
237.02777	25.4
237.05269	2.5
237.05869	1.9
244.04301	3.0
257.03381	2.3
264.06784	2.2
268.02802	2.1
271.09409	3.1
272.09973	2.7
273.07925	2.1
274.07126	2.0
279.47189	1.8
287.05933	2.5
289.05908	2.0
290.06815	2.1
293.10638	3.7
302.12186	2.4
304.98618	2.1
309.08585	12.1
314.12122	8.0
329.05536	2.9
347.06415	13.1
348.06622	3.2
349.06976	3.4
389.04443	13.5
389.15393	100.0
390.09970	4.6
390.14783	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	389.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01869	41.6
57.03424	1.3
65.03925	10.0
67.05517	5.6
67.05795	1.1
68.29099	1.1
69.03415	2.8
71.04839	2.8
77.90028	1.1
79.05478	6.2
81.07050	2.8
82.04186	4.1
85.02905	7.7
86.12212	1.2
89.03948	1.5
91.05486	4.6
93.03404	3.0
93.07042	3.2
94.04163	1.4
95.04967	7.2
95.08602	2.6
97.06533	5.3
103.05461	15.9
105.07017	2.0
107.04949	10.0
107.08575	2.1
108.02096	2.1
110.03657	6.5
111.04441	2.8
111.18654	1.1
114.03062	1.1
116.92799	1.1
117.07030	2.1
119.04944	3.2
119.08556	2.1
121.06510	4.0
122.03683	4.0
123.03555	2.5
123.04420	33.5
125.05995	5.2
125.09661	1.2
128.06203	2.7
129.06987	7.8
131.04924	18.1
133.06483	2.1
133.10114	2.9
134.10437	1.3
135.04472	1.6
135.08058	2.3
135.55710	1.2
137.05962	32.6
138.03058	2.5
138.06311	1.8
138.47461	1.2
139.03903	10.8
140.04649	1.5
142.02605	2.1
145.06474	5.8
147.04384	10.1
149.05988	13.7
151.03900	14.1
151.07591	2.3
153.05441	3.6
155.07028	1.6
157.06516	5.8
159.04407	2.3
160.05182	4.0
161.05991	6.9
163.03899	3.5
163.07529	7.3
165.05484	7.2
167.07025	21.5
171.06519	8.2
171.07802	1.2
173.05971	5.0
174.06775	3.1
175.07547	13.4
177.05463	35.6
179.07060	2.3
179.08510	1.5
181.04942	100.0
182.05295	2.2
183.06548	2.8
187.07553	2.7
189.05579	1.3
189.07477	1.9
189.09062	9.4
191.07002	3.5
191.08549	1.6
191.14261	1.7
192.14607	1.5
193.08595	13.4
203.07077	1.4
205.08650	4.4
207.06503	3.7
209.08075	56.5
210.08452	2.3
211.07451	1.6
217.06671	2.2
217.08528	9.4
218.07214	2.2
219.10098	9.5
221.08054	1.4
234.06763	2.4
235.07515	1.2
235.09666	3.1
237.11267	2.9
247.07745	1.2
247.82011	1.2
249.09084	4.3
250.09483	1.3
251.07230	1.7
251.10945	1.3
256.19452	1.3
261.09171	3.3
263.07101	1.7
263.10507	1.1
274.80835	1.4
277.08685	7.2
278.09195	2.1
279.09970	1.7
285.08023	1.3
285.11343	1.4
303.08612	2.2
309.11038	3.7
321.11118	3.1
327.12238	2.8
329.10196	4.4
339.12381	9.3
341.13998	2.9
345.13281	10.1
353.13861	2.5
359.14804	4.0
371.14737	13.2
389.15912	46.1
390.16312	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	389.159
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
50.19979	1.4
53.03933	1.7
55.01867	39.0
60.35036	1.1
65.03934	11.1
67.05500	4.3
69.07055	2.2
69.40560	8.5
69.40972	2.0
69.74751	1.2
79.05485	5.1
81.07050	2.1
82.04190	3.8
85.02898	6.8
91.05469	3.8
93.03391	2.1
93.07039	2.9
94.04185	2.1
95.04961	7.3
95.08614	2.6
97.06502	5.4
103.05466	15.3
105.03398	1.4
105.04537	1.1
105.07037	2.8
107.04938	8.9
108.02077	1.8
109.02891	1.7
109.06546	1.8
110.03667	4.3
111.04437	2.3
115.05457	2.8
117.07019	3.5
119.04929	2.7
121.06464	3.4
122.03656	4.1
123.04421	31.9
125.05983	3.3
128.06238	2.9
129.06961	8.0
131.04916	18.8
133.06519	3.0
133.10104	1.7
133.41310	1.3
137.02292	1.2
137.05968	36.6
138.03090	4.0
139.03911	6.9
140.04494	1.2
142.02614	3.7
145.06483	4.6
147.04356	8.9
147.07979	1.3
148.94724	1.1
149.05981	12.6
151.03908	11.4
151.07515	1.6
153.05461	3.7
155.07072	1.5
157.06502	7.8
158.72221	1.2
159.04404	1.6
160.05225	2.4
161.05956	7.7
163.03900	3.0
163.07555	6.5
165.05420	6.4
167.07024	24.0
171.06555	6.1
173.05959	5.5
174.06744	3.0
175.07553	13.4
177.05453	41.9
177.09212	1.2
178.05647	1.6
179.07013	2.3
181.04938	100.0
182.05316	2.8
183.02956	1.1
183.06543	2.3
185.05920	1.7
187.07489	2.4
189.09090	9.5
191.07025	3.5
193.08585	12.8
193.10107	1.6
199.07628	1.1
205.06732	1.6
205.08626	4.2
206.07275	2.4
207.06548	4.0
209.06050	2.9
209.08070	59.9
210.08453	1.6
217.06866	1.4
217.08647	7.9
219.08240	2.2
219.10172	8.2
221.07973	1.8
231.08049	1.7
233.09691	1.4
234.06689	1.8
235.09628	4.3
237.11198	2.4
247.07504	1.8
249.09113	3.8
261.09091	3.1
262.06461	1.2
277.08545	7.9
281.11761	1.5
285.07663	1.5
291.08588	1.6
293.11777	2.2
303.08688	2.5
308.10287	1.6
309.11182	4.4
311.12738	1.8
321.11215	1.7
327.12152	2.2
329.10181	3.4
339.12244	8.4
341.13852	4.9
345.13373	5.0
353.13834	3.1
359.14804	2.2
371.14810	12.9
372.14948	1.6
389.15945	52.4
390.16245	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	389.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74904	0.4
55.01873	0.4
61.02913	0.4
67.05488	0.5
69.03416	1.6
70.06580	0.4
71.04974	0.4
71.21507	1.0
79.05466	0.4
81.03400	0.7
81.07070	0.7
83.04955	0.7
85.02892	3.1
91.05448	1.0
93.07018	0.7
95.04954	1.3
95.08564	0.4
97.02882	1.1
102.97109	0.5
105.07004	0.6
107.08585	0.8
109.02852	0.6
109.10186	1.0
116.95351	0.4
121.10142	0.7
123.04382	1.3
123.08111	0.5
125.09640	0.4
127.03897	0.8
133.10089	0.7
135.04428	0.4
137.05962	1.0
139.07542	0.5
141.05444	1.3
163.03917	0.5
167.07014	1.5
169.07472	0.6
179.03358	0.4
182.11679	0.4
205.01363	0.5
209.15349	1.2
223.02211	0.6
226.10468	0.4
227.10909	0.7
227.12723	0.6
227.16360	2.5
228.12231	0.6
245.12421	0.5
255.00414	0.4
359.16696	2.8
389.17776	100.0
390.17972	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	389.1951
Annotation	(-)-Gomisin J
Peak:m/z	Relative Intensity
53.03954	1.9
53.31171	1.6
55.01865	5.0
55.05504	1.9
65.03928	2.9
67.05495	3.8
69.03423	2.6
71.53144	3.3
77.44843	1.5
79.05489	8.0
81.07040	3.4
82.00589	1.7
85.06570	1.7
91.05473	9.7
95.04958	4.7
95.08589	3.7
103.05457	3.7
103.49957	1.5
105.07019	7.6
107.04961	6.8
110.03658	11.8
111.08011	1.9
115.05424	2.4
117.07037	3.1
119.04945	2.4
121.06481	9.9
121.10118	2.3
124.05170	2.9
125.05979	37.2
128.06172	1.8
129.07054	2.5
131.04936	4.5
133.06480	3.2
133.10100	1.7
135.04376	4.6
135.08055	5.9
135.11700	1.9
136.05179	6.3
137.05957	9.2
138.06758	3.7
139.03867	2.5
139.07553	3.3
145.06424	2.8
146.07233	2.7
147.04384	3.3
147.07979	5.3
149.05946	1.9
150.06750	7.5
151.07529	61.5
152.04626	4.1
152.07870	5.9
153.05449	100.0
154.05959	2.3
155.07019	2.7
157.06549	2.5
159.08026	3.1
160.08752	2.3
161.05994	4.1
162.06718	6.8
163.07469	5.9
164.08289	5.0
165.05461	8.1
165.09099	25.0
166.05956	2.1
166.09471	3.6
167.05893	2.0
167.07060	19.4
169.06474	2.0
171.08043	2.3
172.08804	2.1
174.10315	2.8
175.07570	5.6
176.08228	3.3
177.05490	5.1
177.09029	2.9
179.07063	8.2
179.08990	5.1
179.10614	34.4
181.04970	11.3
181.08589	9.2
185.06058	1.6
186.10336	4.4
187.07512	3.1
187.89299	1.7
188.08363	3.7
189.09056	6.4
191.06999	3.6
191.10614	4.4
192.07738	3.5
192.10278	2.9
193.08589	15.2
193.10373	3.2
193.12224	3.4
195.08252	3.2
195.10158	6.0
196.10570	3.5
198.06836	1.7
201.09018	3.6
202.09888	13.2
203.07043	2.6
203.10622	7.8
205.08626	3.8
207.10136	12.4
209.08095	6.5
211.07675	2.6
211.09584	13.2
212.08113	1.9
217.08725	2.5
217.12231	22.7
218.12950	5.3
219.10242	3.1
225.09109	3.0
227.10703	1.8
233.11705	25.4
240.11429	2.6
241.08574	7.3
241.12325	2.8
243.10176	4.0
251.12790	9.9
255.10194	4.3
255.13728	2.1
257.07962	1.8
269.08203	3.6
271.09320	2.5
276.11337	1.8
279.13947	2.0
281.08228	1.8
281.11539	2.6
297.14304	1.9
300.09879	2.1
301.10895	2.2
303.12256	3.6
307.13220	2.7
311.12701	3.9
313.10620	3.1
316.16141	4.4
339.12076	2.7
349.35956	2.3
353.17410	7.7
371.07660	2.9
371.14468	2.7
371.18155	10.7
389.15866	7.9
389.21371	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	390.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44014	2.6
53.03924	2.6
54.83752	2.3
55.01862	3.0
61.02895	2.6
69.03424	9.2
70.06563	3.9
71.53079	3.0
79.05485	8.1
81.07058	3.8
84.04487	3.2
85.02892	14.5
91.05470	8.0
93.07029	7.1
94.59693	2.2
95.04945	5.5
95.08612	4.0
97.02885	8.4
99.04475	3.4
103.05486	7.2
105.07022	50.5
107.04959	5.0
107.08582	3.7
109.02844	3.9
109.06520	2.3
109.73463	2.4
110.06020	4.5
110.09682	2.8
115.05443	10.2
118.04138	4.5
120.08083	2.7
121.06474	2.9
121.10159	4.1
121.72704	2.4
124.07578	6.2
126.18061	2.5
127.03922	5.8
131.04846	3.0
133.06473	51.3
133.10135	5.0
137.05942	5.0
138.09137	10.7
145.04939	4.6
145.10036	2.3
147.04361	5.9
151.03880	3.6
152.07066	4.5
161.05971	100.0
162.06380	4.3
165.05371	2.6
166.08583	20.9
167.06995	5.5
175.11227	2.6
192.14027	3.7
193.08580	59.5
210.14980	3.8
211.09766	5.3
228.03329	2.8
228.12268	4.8
228.15985	6.2
234.56232	2.4
390.15411	3.9
391.08136	7.9
391.15463	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	390.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
71.19744	9.7
71.63839	4.1
79.05499	6.6
85.02895	10.5
91.05439	5.0
103.05453	7.0
105.07000	53.4
115.05455	9.7
118.04124	6.0
119.04975	6.2
121.06491	4.7
121.67051	5.2
124.07632	7.4
133.06476	53.1
136.52899	5.5
137.05956	22.6
147.04364	5.3
149.05927	12.7
151.07527	6.5
161.05951	100.0
168.07433	4.4
193.08554	56.2
211.09602	14.5
228.12202	5.9
273.11020	4.5
281.25714	5.6
372.20300	4.9
390.18024	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	390.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69707	4.4
53.03933	5.2
55.01856	8.8
55.05497	11.5
57.07060	8.2
65.58245	3.8
67.05483	15.0
69.03403	11.3
69.07053	15.2
71.04964	12.3
71.53082	6.5
72.21671	4.9
79.05469	15.5
81.03414	4.9
81.07042	25.4
85.02885	11.4
90.03220	4.5
91.05461	14.8
93.07036	22.2
95.04948	6.8
95.08604	35.4
97.06554	6.2
99.04501	4.7
99.08042	9.7
100.11227	6.2
103.05468	6.4
105.07018	72.3
107.04950	6.9
107.08585	38.0
108.73739	4.7
109.10113	5.6
113.09615	5.4
119.08563	54.0
121.06514	11.3
121.10113	9.7
123.04430	9.3
123.11727	8.8
127.03937	7.2
132.05283	4.4
133.10106	68.6
135.11674	46.5
135.74159	3.9
137.05971	38.7
138.06303	17.5
139.06389	7.0
140.06792	6.1
145.10085	6.0
147.04343	6.6
147.11650	9.7
151.03864	10.0
151.07500	5.4
159.79532	4.3
160.08371	4.7
161.05968	6.9
167.07007	30.7
168.07378	5.8
168.10266	4.8
175.14806	100.0
176.15149	5.5
177.05423	5.9
181.04918	17.9
181.06375	5.3
182.05240	8.1
193.15825	9.1
195.08032	4.1
209.07985	8.7
219.07849	6.3
225.08949	4.8
228.10178	7.8
229.08076	4.0
235.07321	5.3
248.08051	5.3
249.08815	5.4
253.08527	6.3
267.09683	5.3
269.11359	4.6
278.08960	8.7
294.08548	6.1
297.10828	6.1
322.11810	5.8
326.11423	4.8
340.12665	10.4
341.13715	14.4
357.13129	13.8
360.15051	13.8
362.16339	6.9
372.15558	45.1
390.15656	26.4
391.17105	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	390.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.0
55.01868	10.9
55.05491	11.5
56.98329	4.0
57.07053	6.7
60.84407	4.0
63.71009	4.1
65.03909	5.7
67.05489	8.7
69.03437	7.6
69.07057	11.0
69.78818	29.5
71.04973	15.1
79.05487	23.6
81.03398	10.5
81.07056	23.3
83.08607	5.2
85.02884	11.9
91.05470	17.5
93.07050	22.4
95.04980	5.2
95.08590	26.3
95.49341	4.0
97.02866	5.9
97.06480	4.8
99.08081	8.4
100.11246	7.8
103.05434	5.7
104.05790	5.2
105.07023	63.2
107.04932	5.6
107.08585	35.6
109.02892	11.6
109.10131	4.7
111.04416	7.9
115.05379	4.0
118.66375	4.3
119.08555	62.1
121.06480	7.3
121.10136	7.5
123.04417	19.2
123.11685	5.7
124.04785	5.3
127.03941	8.8
131.04915	7.3
132.05307	6.4
133.10120	78.2
135.08073	6.6
135.11661	50.0
137.05951	16.9
137.09610	6.8
138.06277	11.7
139.03885	7.7
145.10080	5.1
147.04420	5.9
147.11679	6.0
149.02350	7.3
151.03838	5.4
159.08173	5.2
163.07544	5.2
167.07031	17.7
168.07390	8.5
175.13301	5.9
175.14804	100.0
177.05414	8.3
181.04948	15.3
182.05324	11.3
193.08517	6.4
193.15833	8.4
194.08928	5.2
199.07558	4.2
207.06577	5.2
210.08585	5.3
210.14754	6.0
228.15915	5.5
229.12270	7.8
310.11328	6.6
312.13101	4.9
322.11728	5.4
340.12439	5.2
346.13403	4.3
372.15213	16.3
390.15939	14.1
390.26971	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	391.1382
Annotation	Guaiacylglycerol-beta-ferulic acid ether
Peak:m/z	Relative Intensity
53.03911	0.8
53.89482	0.7
55.01862	0.9
55.94479	0.7
59.64510	0.8
61.02906	2.2
61.45168	0.7
65.03928	1.6
67.05473	0.8
68.20036	0.9
69.03406	1.2
70.06576	0.9
71.52158	1.3
79.05467	3.4
81.03376	1.5
81.07048	2.3
83.04961	0.8
85.02882	2.3
91.05464	7.9
94.04171	1.6
95.04937	2.1
103.05447	1.0
105.07007	1.7
107.04951	4.5
107.08543	0.9
109.02872	1.6
109.06485	2.5
109.13800	0.8
111.04441	1.9
112.07606	0.8
115.05456	1.1
117.13289	0.7
119.04913	5.8
120.53790	0.7
121.02824	0.8
121.06482	11.3
122.03625	5.6
123.04414	2.3
123.08065	0.8
124.07586	1.2
125.05994	1.5
125.07919	1.3
127.03899	1.2
131.04929	5.2
133.02798	1.0
133.06459	0.9
134.03629	4.5
135.04362	2.7
135.08046	1.8
137.05962	100.0
138.06299	2.4
146.03581	1.2
147.04379	7.6
148.05138	1.1
149.02339	4.8
149.05963	28.1
150.06723	1.1
151.03899	1.4
151.07550	4.2
152.06140	1.1
153.05707	0.8
153.06902	3.8
159.04474	1.1
161.05975	8.8
162.06726	1.0
163.03909	1.5
163.07497	2.7
165.05464	2.2
165.06836	1.4
167.06996	3.2
167.08398	1.6
168.05756	1.1
169.06458	1.3
175.03905	1.0
177.05460	1.9
179.07036	10.1
180.05696	1.3
181.04993	1.4
181.06474	6.9
182.07027	0.9
187.96143	0.7
189.05461	2.7
191.05267	0.9
191.06987	6.2
193.04953	11.6
193.06552	1.2
195.06509	0.8
195.08069	3.3
195.09908	0.9
196.05190	1.0
197.05867	1.3
198.06584	0.9
201.05441	2.9
205.06517	1.3
207.04749	0.8
207.06430	4.3
208.05109	2.0
209.05911	2.3
210.06700	1.3
211.07451	4.2
212.08340	0.9
213.05542	1.0
213.09126	4.6
213.10899	1.0
219.06454	3.6
220.07111	0.7
221.06001	2.0
222.06670	1.2
223.07527	2.0
225.05484	1.8
225.09138	1.7
226.06255	0.8
227.07040	1.2
227.33574	0.9
228.07410	0.9
233.05878	0.9
235.07509	1.1
236.04591	1.4
237.05461	1.0
237.07558	2.6
239.07076	1.7
240.07770	2.6
241.08513	6.2
249.09151	1.3
251.07100	2.0
253.05142	1.6
253.08606	5.2
255.06468	1.0
255.10226	1.6
259.09628	1.5
262.06281	1.1
265.08618	0.9
268.07263	1.9
269.07895	1.3
270.08759	1.6
273.11185	19.1
274.11551	1.3
279.06381	1.1
281.08063	1.0
283.09598	2.2
285.08090	1.2
285.11127	6.4
293.08002	1.6
295.09512	1.2
297.11288	1.0
299.09100	6.6
311.09161	3.6
315.08609	2.6
315.12158	1.6
323.09125	1.3
325.10681	5.5
329.10135	12.5
343.11642	2.6
355.11353	1.2
373.12686	2.8
391.08218	2.2
391.14111	11.7
391.18805	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.7
55.01862	0.9
57.03421	0.7
57.07048	0.6
61.02919	2.8
61.75251	0.6
65.03919	1.4
67.05510	1.0
69.03442	1.4
69.07043	0.5
70.06582	1.4
70.92608	1.0
71.04982	0.9
71.08617	1.0
79.05486	2.9
81.03396	1.0
81.07033	3.2
82.06538	0.5
82.96150	0.5
85.02889	1.3
91.05475	10.3
93.07040	1.5
94.04162	2.5
94.06504	0.6
95.04952	2.1
95.08608	0.6
97.02908	1.1
99.04460	0.6
103.05447	1.3
105.07017	2.0
107.04945	4.9
107.08580	1.0
109.02879	1.0
109.06492	3.2
111.04419	2.0
115.05429	0.7
115.10278	0.5
117.07046	0.7
118.06530	0.7
119.04933	5.9
119.08585	0.9
121.02885	0.9
121.06495	9.8
122.03648	5.2
123.04422	1.9
123.08022	0.6
124.07622	1.2
125.05981	1.3
125.07982	0.8
127.03902	1.0
129.05428	0.6
131.04912	5.0
133.02870	1.3
133.06499	1.0
134.03596	4.0
135.04388	2.4
135.07999	2.0
136.05188	0.7
137.05957	100.0
138.06331	1.2
142.61687	0.6
146.03639	0.7
146.06023	0.6
147.04384	8.7
148.05139	1.4
149.02332	5.5
149.05965	29.9
150.06631	1.6
151.03929	1.3
151.07509	4.9
152.06169	1.9
153.05629	1.1
153.06973	5.0
155.86949	0.6
159.04451	1.6
161.05951	9.1
162.06697	1.6
163.03870	1.2
163.07494	3.1
165.05450	2.2
165.06982	2.2
167.03439	0.7
167.07022	2.0
167.08598	1.9
168.05791	0.5
173.06004	0.7
175.03781	0.6
175.07571	1.2
177.05438	2.1
179.07021	10.7
179.08441	0.9
180.05688	2.0
181.04915	1.5
181.06416	7.3
183.08102	0.8
189.05516	2.3
191.07014	6.9
193.04936	10.1
193.06467	0.6
194.05315	0.6
194.07242	1.0
195.08067	2.6
195.10144	1.1
196.05164	2.2
197.05971	2.1
198.06673	1.3
201.05408	3.2
204.04173	0.9
205.06465	0.7
207.06506	3.5
207.08159	0.8
208.05199	1.8
209.05945	2.3
210.06694	1.2
211.07458	4.0
212.08318	1.0
213.05577	0.9
213.09071	4.2
213.11052	1.3
219.04691	0.7
219.06284	2.7
221.05949	2.2
221.07935	0.6
222.06639	1.6
223.07504	2.3
225.05464	1.6
225.09077	1.7
227.07095	0.8
231.06409	0.7
234.06731	1.0
235.07582	0.7
236.04665	2.0
237.07368	1.2
238.06276	0.8
239.07074	1.4
240.07832	2.4
241.08537	5.1
250.06195	0.7
251.07036	2.3
253.05034	1.6
253.08604	4.2
255.10175	1.2
255.75299	0.6
258.08749	0.6
259.09604	1.2
265.08609	1.8
268.07294	1.6
270.08875	1.4
270.80457	0.6
273.11200	19.7
274.11395	1.0
277.08606	0.7
279.06451	0.9
281.07974	0.6
283.09528	1.8
283.12421	0.6
285.08255	0.9
285.11151	4.4
293.08005	1.5
295.09613	1.1
297.11008	0.7
299.09171	5.7
311.09085	5.4
315.08774	3.3
315.12085	1.0
323.09052	1.2
325.10651	4.9
328.45154	0.7
329.10156	11.3
330.10400	0.8
343.11673	3.4
350.54877	0.6
355.11694	1.2
361.12708	0.9
363.08621	0.6
373.12622	3.0
391.08121	3.3
391.13998	9.4
391.18237	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
54.47341	1.5
55.01868	11.6
55.05503	16.5
57.03426	2.4
57.07073	19.7
67.05497	3.6
69.06726	2.6
69.07063	32.6
69.42645	14.1
71.08624	10.4
72.87387	1.6
78.85107	1.4
79.05476	2.0
81.03423	8.6
81.07042	8.5
83.08611	23.2
85.10177	7.6
87.07067	1.4
89.06000	1.6
93.07024	2.9
95.08605	7.6
97.10172	11.0
98.20760	3.1
107.08578	2.7
109.02870	14.5
109.06486	1.9
109.10172	7.5
111.11694	5.7
115.03902	6.6
123.08037	2.0
123.11694	3.9
125.13264	3.4
127.03904	100.0
131.08580	1.6
137.13240	2.0
137.79529	1.5
139.14784	1.9
139.33722	1.6
141.05467	5.3
145.23921	1.5
149.02342	5.9
149.89713	1.6
154.09131	1.5
155.07066	2.3
159.29887	1.8
169.08580	6.4
174.33804	1.6
181.08565	1.9
183.10170	16.9
194.44116	1.5
195.10132	5.9
197.11700	4.9
204.73825	1.8
209.11658	3.6
211.13243	4.4
223.13235	2.9
225.14886	3.1
237.14819	3.7
239.16327	3.8
251.16443	4.9
253.17924	6.8
265.17935	5.1
267.19406	3.8
279.19629	3.5
281.21149	2.3
288.42261	1.7
295.22562	2.6
307.22849	1.8
309.24301	3.1
391.32016	17.8
409.33643	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	3.6
60.04501	4.0
61.02915	2.1
65.03938	1.8
67.05486	2.4
69.03400	6.4
69.71375	7.9
71.04963	2.1
73.02882	1.9
76.03996	16.3
79.05489	3.5
81.03397	5.8
81.07028	2.2
82.06541	1.6
83.04960	3.5
84.04491	4.2
85.02878	16.3
91.05442	2.8
93.07049	4.5
94.06538	5.3
95.04935	4.5
95.08562	1.8
97.02873	6.6
97.06499	2.6
98.06004	2.4
98.20805	2.1
105.07010	3.0
107.04919	4.9
108.08019	1.9
109.02862	4.3
109.06493	2.2
110.05982	4.6
110.09662	1.7
111.04414	3.4
111.08055	1.8
113.05978	1.7
114.91454	1.4
115.03892	1.6
119.04913	4.1
120.08114	2.2
121.06506	2.7
122.06028	10.2
122.09647	3.4
123.04422	4.9
123.08025	2.1
124.07561	5.3
127.03868	4.7
131.04863	2.1
135.04396	13.8
136.07526	4.3
137.05951	6.8
138.09123	7.2
139.03867	5.9
139.07491	2.6
140.07050	13.0
145.04872	1.6
147.04376	8.9
148.07574	2.6
148.11119	4.1
148.66148	1.6
149.02269	5.0
149.05922	6.6
149.09552	2.6
150.02618	2.7
150.09105	2.0
152.07048	3.5
153.05487	7.8
154.08604	19.1
166.08585	2.6
166.12265	5.0
167.07002	5.7
168.10184	2.7
169.04916	2.0
170.08066	1.9
176.07091	1.9
176.10675	4.3
177.05478	15.3
194.08038	7.0
194.11743	14.7
194.15361	1.6
195.06534	12.3
212.09183	12.7
212.12724	12.3
212.16434	4.8
213.07605	2.5
224.66980	1.5
230.10492	8.2
230.13831	100.0
231.14113	3.0
247.06383	1.6
250.28252	1.8
269.56308	1.6
356.13120	2.0
392.10120	2.5
392.15149	4.2
392.19080	6.8
412.15936	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01864	0.6
55.05495	0.8
57.03430	1.0
61.02919	1.0
65.03922	0.6
67.05489	1.2
69.03418	3.9
69.07050	1.9
69.86514	2.6
70.06579	0.8
71.04971	1.1
72.08147	0.5
73.02898	1.0
79.05474	2.4
81.02979	0.5
81.03402	2.5
81.07037	2.0
82.06554	1.4
83.04951	0.5
85.02894	6.6
85.06543	0.8
86.06106	0.4
91.05452	1.9
93.07006	1.1
94.06570	2.9
95.04942	2.2
95.08622	0.9
97.02876	2.6
97.04703	0.4
97.06518	0.7
99.04428	1.0
103.05417	0.7
105.06992	1.0
106.06527	0.8
107.04944	2.4
107.08568	1.5
108.08098	1.8
109.02847	1.0
109.06532	2.1
110.06034	4.1
110.09674	0.5
111.04440	0.7
111.08054	1.0
112.07607	0.7
113.05974	1.5
119.04931	0.7
120.08085	1.3
121.02867	0.5
121.06461	1.5
122.06017	9.4
122.09627	1.6
123.04436	1.1
124.07571	3.9
127.03902	1.5
131.08530	0.7
133.06430	0.5
134.09634	1.3
135.04388	2.7
135.08034	1.1
136.07553	3.3
136.11205	1.5
137.05968	3.6
138.08281	0.5
138.09146	5.5
139.03917	0.6
139.07526	2.5
140.07047	12.9
142.08597	1.5
145.04933	1.1
147.04376	1.5
148.07507	1.3
148.11183	2.9
149.02275	1.0
149.09560	3.3
150.09113	1.9
152.06996	1.1
152.10733	0.6
153.05482	0.8
154.08606	22.0
155.08910	0.5
156.10132	0.6
158.09604	0.6
159.07997	0.5
161.05943	0.6
161.08362	0.7
163.03894	1.4
164.10687	0.6
166.08702	0.7
166.12274	6.0
167.07043	0.9
167.10686	3.0
168.10112	1.2
176.10681	4.8
177.05450	1.5
194.11728	13.4
195.06525	1.9
195.10138	1.6
210.13475	0.5
212.12788	7.6
213.07439	0.5
220.09892	0.5
230.13844	100.0
231.14218	2.9
243.06465	0.5
274.19583	0.5
287.05566	0.6
368.03864	0.5
392.08615	0.5
392.15872	2.0
392.19754	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30797	2.0
61.02929	2.5
63.74596	1.6
69.03420	4.9
69.54442	5.5
69.54867	7.1
79.05482	6.1
84.09210	1.7
85.02897	9.8
91.05441	2.5
96.89351	1.6
97.02892	3.9
103.05440	6.3
105.07016	6.5
107.04942	46.4
108.05280	2.0
115.05445	3.6
117.06982	2.5
123.04440	2.8
124.05217	2.6
131.91667	1.7
135.08049	18.4
137.05939	3.3
151.07523	5.9
154.06252	2.0
163.07521	34.3
167.07018	100.0
180.07698	3.0
194.11713	2.0
195.10146	36.3
196.10493	3.3
213.11186	89.8
214.11617	3.7
219.75879	1.8
255.77924	1.7
260.85477	1.8
414.17477	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.9
56.76898	3.7
63.59676	4.0
65.03908	3.6
69.03400	9.1
69.52291	18.7
69.52710	8.8
70.06576	13.8
70.57680	4.4
72.79774	4.0
74.06065	4.5
79.05453	4.8
81.03394	6.1
81.07041	7.6
83.05000	4.9
85.02895	25.9
91.05485	6.7
93.07024	14.8
95.08553	4.2
97.02882	6.0
98.20728	5.5
105.07018	9.4
107.04984	10.4
107.08593	67.0
109.02861	7.9
109.06498	12.5
109.10130	15.9
112.07569	8.5
117.07024	3.8
119.04879	5.2
123.04423	4.9
123.11694	8.8
127.03866	8.0
133.10123	53.8
135.07988	4.3
137.05966	28.0
142.06844	7.9
145.04933	7.3
147.04417	10.4
151.03906	9.8
151.11157	100.0
165.05481	8.7
167.07059	9.3
169.12212	13.7
194.15399	6.8
213.07576	6.1
213.11208	9.3
230.13821	4.6
267.77399	4.9
298.50449	3.6
392.15796	8.4
392.22705	6.0
393.09384	4.8
393.15594	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	392.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.8
53.11287	2.5
55.05507	15.9
57.03423	8.7
57.07056	3.2
58.06576	5.4
59.04996	2.8
60.04519	7.3
60.96617	3.0
61.02911	13.0
67.05492	10.8
69.03426	32.4
69.07058	21.9
70.06591	16.8
70.46555	3.1
71.04984	7.9
71.52534	3.8
73.02902	6.9
79.05476	9.4
81.03405	13.0
81.07046	34.9
82.06563	11.2
83.01307	3.2
83.04975	19.5
85.02899	73.5
85.03378	6.4
85.06549	3.5
86.09699	47.8
87.04465	8.0
91.05485	8.5
93.07034	9.9
94.06550	9.4
95.04964	11.9
95.08598	10.9
96.08124	13.8
97.02878	26.3
97.06523	17.1
98.03175	3.6
98.09676	16.9
99.04454	8.1
101.02377	3.9
105.07031	6.7
107.04941	4.3
107.08599	14.6
108.08110	10.4
109.02866	11.2
109.06511	11.4
109.10152	16.1
110.09602	3.6
112.11217	10.6
114.09172	30.9
117.36399	2.8
119.08559	10.4
120.91008	2.6
121.10105	8.0
123.11681	10.2
124.11203	8.8
126.12767	11.5
127.03899	12.7
127.07579	5.5
127.11167	3.6
132.10190	6.4
133.10135	4.5
135.11662	3.7
136.11203	36.1
137.09608	4.0
144.10147	3.3
145.04941	8.7
149.02298	3.1
150.12776	14.5
151.11182	10.6
152.14365	10.2
154.12263	19.5
159.84152	3.1
167.07018	4.6
168.13863	12.4
169.12212	8.1
173.13091	3.2
182.15372	3.7
186.14848	12.4
194.15407	41.0
212.16414	45.0
230.11749	87.1
230.13950	6.1
230.17497	100.0
231.12102	3.9
231.17773	4.4
276.14502	5.9
316.17526	9.9
328.32437	3.2
334.18448	7.1
348.20154	4.1
356.20773	6.9
359.11603	3.3
374.21613	27.3
392.22659	81.1
393.18558	10.3
393.23141	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	392.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41046	0.8
61.58224	0.8
69.53946	5.6
79.05496	1.2
83.04977	1.4
91.05454	4.4
92.73177	1.1
95.08555	0.8
103.05468	1.2
106.17612	0.8
107.04938	4.0
108.05737	1.4
109.06543	1.1
116.14890	0.9
117.07025	1.6
121.06503	7.2
123.08035	1.2
131.04944	2.1
133.06462	1.1
135.04428	1.7
135.08049	1.5
136.05185	6.9
137.05959	3.6
138.06746	0.9
139.07516	2.3
145.06458	1.5
146.07259	7.0
147.08069	2.0
149.06047	0.9
149.09560	0.8
151.07535	100.0
152.08107	3.1
153.09084	2.9
159.08018	3.6
160.08925	1.2
161.06006	0.9
162.06795	3.3
163.07591	3.1
165.09117	3.7
172.08807	1.5
173.09615	7.5
174.10347	1.4
175.07552	3.2
176.08339	2.4
177.09094	45.3
187.11232	2.2
188.11983	8.6
189.09109	2.5
190.09886	8.0
191.10667	2.9
203.10699	2.4
204.11354	4.0
205.12239	13.5
215.10565	1.5
217.12231	3.6
219.13786	60.6
220.14124	1.7
233.15390	1.9
235.66769	0.8
243.13829	0.9
246.81277	0.8
276.80688	0.8
293.15347	2.0
325.17920	3.0
337.02588	1.4
342.18341	3.9
357.20578	29.8
358.21017	1.5
367.03836	0.9
393.08392	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63466	20.0
56.96555	31.7
60.20073	19.4
69.03418	42.7
70.30209	40.4
70.30605	43.0
85.02877	36.4
87.98058	19.2
97.02880	27.5
98.97591	24.4
101.00861	30.3
119.01908	85.8
128.92841	20.9
131.01842	34.3
133.03447	61.2
136.06909	22.1
143.01930	23.8
144.99783	84.3
145.03537	32.1
147.04395	39.8
147.33295	21.9
155.01857	35.8
157.03461	31.2
161.02954	31.1
163.00894	24.4
172.99286	26.5
175.04436	41.2
177.02481	34.6
184.36113	21.7
187.00876	31.1
187.02419	22.6
189.00757	23.0
191.00273	34.7
205.01889	42.7
213.03468	36.6
221.05064	47.4
222.03786	19.4
223.02972	25.9
242.05461	20.7
249.32181	20.7
254.99849	32.5
259.06549	22.1
261.39783	19.5
265.07773	22.7
272.06470	22.8
273.00885	45.0
276.21097	21.1
315.01889	70.0
315.34390	21.2
333.02866	61.0
333.06598	23.7
393.05487	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30450	2.2
56.96291	4.4
56.96559	57.2
57.03429	5.6
61.02908	3.4
66.44196	2.1
69.03425	13.2
70.03796	2.6
70.06593	3.4
70.47878	7.6
70.98094	4.2
71.04997	3.6
73.02916	5.4
74.59811	2.6
81.03392	2.9
83.01446	2.2
83.04975	3.6
84.08121	2.1
84.96013	13.8
85.02902	22.6
91.05476	4.7
95.04955	3.2
97.02876	17.1
98.21444	3.0
98.96931	5.4
98.97576	95.5
101.00891	7.2
101.39184	2.9
102.97079	2.8
103.02438	2.8
107.04971	4.0
109.02864	4.3
110.97549	17.9
112.99122	4.3
113.00917	3.3
116.98608	64.7
119.01898	21.0
119.04956	8.8
121.01656	5.4
123.04404	2.9
123.05585	4.0
127.03893	9.7
127.04757	2.6
128.98595	30.2
131.00217	11.4
131.01877	18.8
133.01761	2.8
133.03477	9.9
134.99638	29.3
136.06190	4.1
137.02956	5.2
137.05975	7.2
140.98596	4.7
141.05507	3.0
143.00159	14.3
143.01880	11.7
144.98061	3.0
145.01707	6.0
145.03458	16.2
145.05008	2.8
146.99631	30.8
147.01353	3.1
147.04263	16.4
149.01207	9.3
152.98604	6.4
153.00662	6.2
155.01898	8.1
157.03482	10.9
158.99654	20.6
159.03319	4.6
159.05011	5.1
161.01260	25.3
161.02879	21.0
162.99158	6.1
163.02721	5.4
163.03983	10.5
165.00656	12.1
165.04245	2.7
169.03445	3.2
170.55302	2.8
170.99640	13.2
171.05037	8.4
173.01221	7.7
173.02956	18.3
173.06628	5.5
174.99135	4.0
175.04495	7.2
177.00642	26.5
177.04263	4.0
179.02269	7.7
185.01273	4.0
185.02960	6.8
185.06616	9.5
186.99075	3.4
187.02835	4.5
187.04509	5.1
189.00661	14.7
189.02313	3.4
189.04321	7.3
189.06107	7.0
189.54210	2.5
190.95442	3.9
190.98631	3.2
191.02266	7.0
193.00182	3.6
193.01814	3.7
195.01816	3.4
195.04968	2.6
200.02345	3.8
201.00719	9.3
201.02435	4.3
201.04301	3.3
201.06047	4.5
203.02287	6.1
203.04051	7.5
203.07594	6.9
205.00217	5.5
205.03838	5.7
206.98058	2.9
207.01764	7.2
213.06154	4.6
215.07742	3.4
217.01958	3.5
219.01740	45.2
219.03668	4.5
220.05963	9.6
221.03401	2.6
221.05124	22.1
223.01230	4.6
223.04926	3.3
231.01796	5.0
231.05296	4.7
231.07220	5.2
232.96463	3.4
237.00632	6.7
237.02783	100.0
242.03378	4.1
243.07167	2.8
245.04877	12.5
247.04930	8.0
248.99333	4.8
249.02850	5.6
253.03815	3.7
255.01715	8.2
255.03929	7.5
257.04971	5.4
259.06784	7.3
260.04364	3.6
261.02679	4.5
261.08264	5.0
265.05887	62.1
267.00198	6.8
273.02820	10.0
275.04401	11.7
275.09857	8.9
279.04022	6.5
279.09344	5.4
283.06955	21.5
288.07620	5.7
289.06131	3.1
291.00244	6.3
293.05270	13.4
293.10858	9.6
295.06818	2.9
305.02118	3.1
305.10788	3.0
315.09225	4.6
321.04727	3.7
333.05005	22.1
333.10565	15.4
337.07715	3.2
351.05917	40.3
351.09827	8.9
361.04410	15.3
369.07028	9.9
374.07623	6.0
393.12576	19.0
411.05731	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	393.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36572	3.3
69.37000	1.8
69.66154	0.6
79.38958	0.5
81.03418	0.5
85.06573	0.5
93.07087	0.6
98.21572	1.2
105.06989	1.2
109.10112	0.5
115.05477	0.7
120.90014	0.5
137.05962	0.7
149.36656	0.9
175.07549	0.7
223.26213	0.6
227.05191	0.7
243.08774	2.6
247.34746	0.6
262.70032	0.6
267.10098	0.6
271.03983	0.8
307.11652	4.8
314.28912	0.6
317.10135	0.8
331.11621	1.3
349.12537	33.6
350.13068	1.5
378.15051	1.4
385.35617	0.7
393.11523	100.0
393.18604	4.3
394.11932	4.8
411.78964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73094	0.3
63.23541	0.4
68.05000	1.6
69.60530	0.9
69.60931	2.5
70.06553	0.8
79.05500	0.5
80.82635	0.5
81.03401	0.4
82.05169	0.4
95.04947	0.4
98.97561	0.5
107.04887	0.5
110.41048	0.4
116.98519	0.4
125.05947	0.6
130.05035	0.8
137.05966	0.8
140.03369	1.0
149.04581	0.6
149.05836	0.5
151.03903	2.7
172.06039	0.7
177.05400	0.4
189.06454	0.9
197.08096	0.6
199.04376	0.6
200.82184	0.4
201.06325	2.0
202.07158	2.1
203.08006	2.0
204.08786	7.6
215.07957	1.7
216.08775	100.0
217.09401	4.0
218.10309	4.5
219.43947	0.4
225.06401	9.8
226.07236	3.1
227.07942	1.2
228.08682	1.1
229.09543	1.0
230.10345	9.3
240.08766	54.4
241.09369	2.9
246.09866	6.9
255.09877	0.6
258.09799	2.9
268.08255	4.7
269.08188	0.4
272.11417	4.4
273.11105	0.7
283.09277	1.6
300.10870	52.3
301.11169	2.3
311.08713	0.9
315.11938	1.0
333.12958	2.8
343.11374	2.5
361.12540	4.9
375.14001	5.3
393.15100	27.1
394.15787	0.5
397.08377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.154
Annotation	Massoniresinol
Peak:m/z	Relative Intensity
51.02384	0.8
51.90117	0.7
53.03943	1.0
53.57505	0.7
55.01863	2.9
55.05497	0.9
58.18906	0.6
61.02896	0.9
65.03929	1.5
67.05492	1.6
69.03417	1.9
69.06293	0.7
69.68862	1.4
69.69265	4.2
71.04978	1.1
73.02918	2.3
79.05476	3.3
81.03405	2.4
81.07042	3.4
81.07472	0.7
83.04945	1.0
85.02889	2.3
91.05479	6.6
93.07021	2.2
94.04189	2.0
95.04979	3.4
98.21537	0.7
99.04491	0.7
103.05457	26.5
105.07034	1.9
107.04951	8.2
107.08626	0.9
109.02899	2.0
109.06507	1.9
111.04414	2.1
115.05473	1.5
117.07020	1.2
119.04951	3.4
121.06477	3.6
121.10146	0.9
122.03630	5.1
123.04408	2.2
124.94153	0.7
125.06005	5.3
127.03912	1.0
131.04918	52.3
133.06430	2.1
135.04407	2.7
135.08040	1.7
137.05965	100.0
138.06335	1.0
141.05403	1.9
141.07016	1.1
145.06482	1.1
146.03580	1.0
147.04388	6.5
147.08102	1.2
148.05194	0.9
149.05978	3.1
151.03886	32.3
151.04961	2.0
151.07468	3.9
152.04619	2.5
152.06155	1.0
153.05406	1.7
153.06989	2.5
154.86211	0.8
155.08572	1.6
157.06479	0.8
161.06000	5.6
162.06728	0.9
163.07524	19.3
163.08806	1.4
165.05457	12.1
165.06973	2.5
165.09122	0.9
167.07059	17.2
167.08499	2.0
169.05019	0.7
169.06444	1.6
169.12206	0.8
170.07176	0.8
171.07990	0.8
172.71982	0.8
175.07544	3.0
177.05501	2.2
177.06979	0.9
179.07030	8.2
179.08461	1.0
181.06476	5.4
181.08568	0.8
182.07288	1.6
183.08061	2.5
187.07542	3.2
189.05466	1.3
189.07025	0.8
189.09041	1.3
191.06932	3.9
191.08537	1.0
193.06459	1.0
194.07312	1.1
195.08084	3.5
197.06145	1.5
197.08057	3.3
197.09662	1.3
198.06770	1.6
199.07466	2.1
201.09035	2.2
207.06454	2.3
209.06010	1.9
209.09747	1.2
210.06737	2.2
211.07487	4.3
212.08363	0.9
213.05605	1.0
213.09142	6.5
215.06758	0.9
215.10555	1.1
217.08556	1.4
219.08148	1.5
223.07550	2.1
225.09096	6.0
226.06398	0.9
227.06989	2.3
227.10648	1.6
231.06447	0.8
239.06963	1.2
239.08946	1.3
240.07794	1.1
241.08556	9.9
242.09274	1.7
243.10120	4.9
251.06987	0.9
253.08594	4.8
254.09285	2.1
255.10217	5.4
257.08029	1.9
257.11642	1.7
267.10126	1.6
271.09634	7.0
273.11234	7.2
279.10016	1.0
283.09616	2.1
285.11169	5.8
297.11163	1.9
301.10556	1.6
303.12216	3.6
309.07684	1.4
313.10544	1.6
315.12296	1.6
325.10672	1.4
331.11539	1.2
343.11627	2.3
361.12848	5.2
363.14166	2.9
375.14493	1.0
393.15485	3.8
393.19931	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.188
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
55.05495	0.4
62.75576	0.3
66.38656	0.3
67.05494	0.4
69.03406	1.1
72.08128	0.4
72.47892	0.4
79.05446	0.7
81.07034	0.9
85.02886	0.7
91.05465	1.2
93.07014	0.9
95.04945	0.9
95.08609	0.7
97.02842	0.6
98.20745	1.2
104.00077	0.4
105.07037	0.9
107.08612	0.8
109.02893	0.5
109.10133	0.7
115.67051	0.4
116.93465	0.4
119.08559	0.9
121.06464	0.7
121.10117	1.1
127.03948	0.7
129.06883	0.4
131.08531	0.4
132.05763	0.5
135.04419	0.5
139.88062	0.4
143.08510	0.6
145.06502	0.5
147.11678	0.5
151.03857	0.6
157.10100	0.7
163.11185	0.5
167.07118	0.4
175.07578	0.4
201.03679	0.4
201.12959	0.5
203.05252	23.9
204.05766	0.6
213.12474	4.3
223.14890	0.4
231.13712	0.9
244.07942	0.6
258.54938	0.4
276.62744	0.5
295.77454	0.5
393.18805	100.0
394.19089	3.9
414.81812	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	3.1
53.03931	7.8
55.05507	23.0
57.07068	19.5
59.04988	4.1
65.03927	5.6
67.05501	40.6
69.03394	3.5
69.07057	24.9
69.37379	8.9
69.37803	17.9
71.08613	10.8
71.43255	2.9
72.11935	3.2
79.05489	41.0
81.03416	4.2
81.07052	76.4
83.04966	8.2
83.08594	13.4
85.06530	6.2
85.10173	4.1
91.05476	63.4
93.07038	82.0
95.04961	64.2
95.08600	69.5
97.06503	11.5
97.10163	3.2
98.20709	6.8
98.98457	16.5
103.05433	5.9
105.07024	94.9
107.08585	59.1
109.06518	15.1
109.10146	42.1
110.68696	2.8
115.05462	3.7
116.06216	4.6
117.06988	22.9
119.05011	3.3
119.08573	100.0
121.06499	25.1
121.10139	35.7
123.08025	5.0
123.10935	2.7
123.11665	17.8
128.06186	9.8
129.06993	19.5
130.07768	9.0
131.08559	39.6
133.06409	3.7
133.10121	54.6
135.08005	6.6
135.11693	21.5
137.09631	3.7
141.06956	10.0
142.07750	25.3
143.08551	38.9
144.09311	10.0
145.10117	78.7
146.07344	4.3
147.07999	5.0
147.11691	25.5
149.09596	4.1
149.13274	5.2
151.99724	3.6
153.07103	3.8
155.01030	27.4
155.08510	13.1
156.09343	10.1
157.10114	66.2
158.10873	7.8
159.08032	5.6
159.11673	49.5
161.09596	16.2
161.13194	10.3
163.11172	8.4
167.08511	8.4
169.10114	31.3
170.10800	6.3
171.11681	27.2
172.12468	6.2
173.13242	25.9
175.11208	10.1
175.14767	18.4
179.08549	7.6
181.10126	8.1
182.10896	3.8
183.11688	23.5
185.13274	15.9
187.11179	10.9
187.14778	11.9
191.14366	3.3
193.10129	8.4
194.10858	8.1
195.11697	13.3
196.12408	8.1
197.13300	16.8
199.11079	3.5
199.14804	12.9
201.12769	7.4
201.16325	13.7
206.10806	5.6
207.11719	7.8
209.13290	19.1
211.14813	12.1
213.16299	4.5
215.14638	2.9
220.12419	4.7
221.13206	8.6
223.14723	8.4
225.16278	5.3
227.14320	4.0
235.14780	6.1
237.16264	3.3
239.18059	4.3
253.15886	6.9
253.19427	4.4
375.26770	5.2
393.27945	13.8
416.01639	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
55.01869	10.9
55.05498	2.7
57.03426	4.8
57.07072	18.9
67.05486	1.4
69.07059	4.4
69.66407	3.5
69.66814	1.1
71.08627	16.1
81.02988	0.9
81.03415	12.7
81.07053	1.5
82.91934	0.7
83.08624	3.6
85.10175	12.0
95.04995	1.0
95.08598	1.5
97.10159	1.9
99.04448	1.8
99.11729	2.2
109.02874	16.6
109.10135	0.9
111.11723	0.8
113.06013	1.3
115.03923	8.4
121.10164	0.9
123.04442	1.6
127.03906	100.0
128.04243	2.2
141.05435	4.9
145.04964	1.7
150.61121	0.7
155.07045	1.7
169.08607	4.5
183.10126	6.3
197.11714	6.5
211.13324	5.1
225.14796	5.9
239.16400	7.0
240.29005	0.6
253.17964	8.2
267.19559	6.6
268.52658	0.7
281.21106	4.2
295.22745	4.2
309.24390	3.7
323.25848	3.4
337.27319	5.1
372.41440	0.7
393.33621	19.4
393.38293	0.7
394.34204	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47251	1.2
51.35028	1.2
53.03933	3.1
55.05506	42.5
57.07069	20.3
57.40114	1.3
63.56632	1.1
67.05500	17.1
69.07064	40.4
69.21680	15.2
70.07414	1.5
71.08630	8.7
79.05488	14.7
81.07050	67.6
83.08611	100.0
84.08940	1.8
85.10154	4.6
91.05470	13.3
93.07030	17.2
95.04981	1.8
95.08597	27.0
97.10159	15.4
97.50471	1.2
98.21606	2.5
105.07019	19.9
106.74081	1.3
107.08581	24.8
109.10156	12.4
111.11736	2.4
117.06998	7.3
119.08558	11.1
121.10146	10.0
123.11668	5.4
128.06145	1.6
129.06972	5.7
131.08565	14.6
133.10109	17.1
135.11655	5.0
137.13249	2.0
139.14778	1.4
142.07768	6.2
143.08516	9.9
145.10117	22.3
147.11684	13.4
149.13274	4.2
151.14722	1.3
155.08528	3.0
157.10123	24.8
159.11688	17.0
161.13242	4.8
163.14824	2.0
169.10094	1.6
171.11667	6.6
173.13213	8.9
175.14775	2.4
183.11685	7.1
185.13252	8.4
187.14833	5.7
189.16380	3.0
197.13252	5.7
199.14775	8.7
201.16351	7.0
203.17830	2.2
211.14809	5.8
213.16353	6.0
215.17972	3.6
217.19591	1.6
225.16409	5.6
227.17859	2.7
229.19653	1.9
239.17914	8.9
241.19438	1.8
253.19447	11.3
255.21088	1.6
267.21191	1.4
273.25519	1.6
279.20950	1.4
279.66931	1.3
281.22833	1.8
292.46881	1.2
295.24210	12.9
309.25754	10.4
393.35123	85.1
394.35324	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	394.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46073	0.2
53.03940	0.9
55.01846	0.3
55.05502	0.3
56.89078	0.2
57.03091	0.2
57.03417	0.5
65.03927	0.3
69.03421	1.3
69.74911	1.6
70.06575	0.3
70.99559	0.3
71.04970	0.4
73.02910	0.4
77.47549	0.2
79.05486	0.3
80.04995	0.3
81.03406	2.0
83.04956	0.3
85.01120	1.1
85.02898	2.5
91.05448	0.2
95.08649	0.3
97.02880	11.9
99.04452	0.8
103.02194	0.3
109.02857	1.7
112.02169	2.0
116.01654	0.9
121.07782	0.2
127.03906	3.8
133.02834	0.2
137.05951	0.4
140.01619	1.8
140.70192	0.3
142.92569	0.2
145.04903	0.3
157.01895	0.4
158.02696	0.9
165.63040	0.2
170.02681	7.0
181.08560	0.3
184.48656	0.2
185.04167	0.2
188.03741	100.0
189.04068	2.1
193.04868	0.6
197.08127	0.3
210.05896	0.3
230.04825	0.7
232.06949	0.9
233.07903	0.5
266.04791	0.5
288.05695	0.3
296.05817	0.5
314.06891	22.8
315.07156	0.8
332.07965	1.9
343.35498	0.2
394.11642	1.3
395.13116	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	394.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	45.0
57.03421	10.2
69.03439	35.2
70.06590	10.5
70.97070	12.2
71.04971	15.4
73.02905	12.9
79.05486	14.8
81.03391	16.8
83.04956	15.5
84.04478	15.9
84.08138	46.6
84.96001	8.1
85.02895	80.5
87.04462	6.7
91.05474	34.8
92.35628	6.3
95.04930	7.7
96.99178	6.3
97.02860	36.9
98.97569	57.0
99.04453	10.0
101.05965	7.2
105.07021	9.5
107.04935	20.9
109.02821	13.0
110.97583	8.0
116.98587	41.2
119.04938	52.9
121.08439	7.0
123.04430	32.8
127.03911	29.6
128.98608	18.7
131.00151	11.8
133.02814	15.6
133.20624	7.5
134.99661	21.0
135.04388	22.2
137.05959	54.8
139.03856	12.8
143.00060	7.4
145.04921	15.3
146.05945	6.2
146.99614	19.4
147.04384	97.9
149.05965	10.0
151.07521	11.1
153.05400	9.2
154.85403	7.3
158.99649	20.9
161.01155	6.7
162.04108	9.2
163.03871	28.6
165.05415	23.0
167.07031	24.5
170.99561	8.4
177.00662	24.1
177.05553	9.7
179.06990	88.4
181.08582	7.6
187.02695	12.8
188.03758	8.1
189.00803	11.8
190.55109	7.8
197.08089	100.0
202.04973	8.9
210.56212	9.3
219.01741	24.2
220.11833	9.9
237.02759	47.4
239.02332	14.3
257.03265	15.3
260.57333	11.4
263.08777	13.7
279.01587	10.9
280.07037	27.3
281.05334	9.9
289.07678	31.4
304.08026	9.7
305.08945	8.8
330.20105	21.6
361.52927	7.2
394.34882	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	394.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87415	2.8
51.04639	2.8
53.03936	5.6
54.16581	3.0
55.01868	4.6
56.96557	41.9
57.03424	13.0
58.87003	2.7
59.32938	2.9
61.02928	14.7
68.11489	3.3
69.03431	45.9
69.87479	16.0
70.03743	2.7
71.04972	5.2
73.02910	14.0
81.03407	17.8
84.04512	5.5
84.96040	10.8
85.02898	83.5
86.03201	4.2
87.04478	7.6
91.05480	16.5
95.04991	5.8
97.02895	43.0
98.20816	5.3
98.97571	95.2
99.04429	9.6
99.97919	7.1
101.52129	3.1
103.05446	4.1
107.04958	7.1
107.08611	5.0
108.88490	3.0
109.02859	8.5
110.97583	11.9
112.07561	3.8
112.99100	3.8
115.03975	2.8
116.98611	66.3
119.01823	4.7
119.04921	25.2
121.06497	9.9
123.04419	7.2
127.03906	29.6
128.98566	19.3
130.05016	5.1
130.08607	4.5
131.04916	6.0
131.27281	3.7
133.02826	4.8
133.06546	3.4
134.99651	25.7
135.04396	5.8
137.05972	100.0
138.06302	5.0
138.53906	3.0
141.68396	3.8
143.00166	7.4
145.05014	6.8
146.99670	17.4
147.04395	54.3
148.04834	5.1
149.01184	5.2
149.05995	17.3
151.07486	3.2
153.05428	5.4
158.99661	19.8
159.04532	3.1
161.01202	9.8
161.05890	4.2
162.99078	3.8
163.03885	10.6
163.07602	3.2
166.07285	14.3
167.07018	51.5
168.07368	3.8
175.03444	3.4
177.00717	35.5
177.05443	33.0
178.05832	5.0
179.07042	54.0
189.00705	7.1
189.03999	4.0
191.03914	4.5
196.02176	3.0
197.01250	3.9
197.08102	16.9
201.00659	6.6
209.08144	11.2
211.02686	3.9
213.04295	4.9
214.04970	12.2
216.04694	5.7
219.01828	19.1
223.05431	54.1
223.55603	11.0
227.09079	6.7
232.05919	27.8
232.56171	4.2
235.02974	3.4
237.02759	36.5
239.02245	16.2
243.05333	4.8
243.56767	5.3
244.04254	5.5
253.03851	4.9
255.03772	4.8
256.02466	3.8
257.03329	10.0
259.06567	5.0
260.04404	3.1
265.03778	12.4
271.04767	5.6
274.06876	4.4
280.07101	3.5
280.57031	4.4
281.03259	5.1
283.04669	14.4
286.03653	3.5
286.06961	5.9
291.07635	3.5
295.04855	4.9
295.07608	68.3
295.57825	18.3
296.07813	5.0
301.05798	4.3
304.07980	60.5
304.58328	11.6
305.07806	12.6
307.04617	4.5
309.08554	12.0
312.08658	3.6
312.58850	16.7
313.08801	11.1
325.05923	11.3
393.61453	6.5
394.10992	4.5
395.08023	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	395.131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.7
69.03412	0.9
70.99771	1.4
81.03408	0.5
81.73283	0.5
83.04971	0.6
85.02889	1.2
91.05462	0.5
93.07078	0.5
97.02879	1.7
98.20926	0.6
104.53069	0.4
106.94926	0.5
107.04919	0.4
109.10124	0.5
123.04419	0.8
127.03940	0.8
147.04390	0.6
167.07080	0.5
168.94937	0.5
185.04230	5.0
188.03726	6.3
189.04071	4.4
190.03426	0.7
217.04706	1.0
219.09616	0.5
232.07031	11.2
232.09476	0.6
233.07803	10.3
234.11302	1.1
243.06468	1.2
251.08897	0.6
313.74551	0.5
315.07153	2.0
328.13968	0.5
357.20157	0.5
364.11249	1.3
365.11948	0.9
395.13113	100.0
396.13342	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	395.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.2
57.07073	3.2
57.38939	1.1
62.35424	1.4
67.05489	4.2
69.07053	5.6
69.36362	1.3
70.85135	2.9
70.85509	2.3
71.08624	6.6
79.05492	3.4
81.07049	17.0
83.08598	6.4
85.10172	7.4
91.05463	2.8
93.07014	6.4
95.08601	10.5
96.49023	1.2
97.10170	6.8
98.22892	1.2
105.07037	9.0
107.08582	7.4
109.10155	5.5
111.11710	7.5
117.07004	2.7
119.08559	4.5
121.10106	3.7
123.11699	4.5
125.13246	2.5
129.06892	1.4
131.08562	7.1
131.09447	1.1
132.52312	1.2
133.10115	15.7
135.11684	4.2
135.70581	1.1
137.13222	3.3
145.10095	23.0
147.11685	12.0
149.13232	3.2
151.14803	1.4
157.10109	4.2
159.11670	22.0
161.13237	6.7
163.14748	1.4
165.16432	1.4
171.11606	1.5
173.13229	8.1
179.17950	1.2
185.13263	3.7
187.14813	4.6
189.16570	1.4
199.14716	2.9
201.16382	1.6
213.16339	3.4
215.17914	1.2
227.17917	1.9
241.19490	4.3
247.24084	2.2
255.21089	4.5
264.49881	1.1
275.27390	1.9
287.27277	1.6
289.28836	1.5
297.25769	1.9
299.27280	1.2
301.28912	2.4
349.21539	3.6
395.36682	100.0
396.36996	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	395.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	7.9
57.07057	17.4
67.05505	21.4
69.07073	18.0
71.08611	15.7
71.53149	6.1
79.05473	9.2
81.07045	49.7
83.08585	10.2
85.10165	7.8
91.05453	17.2
93.07027	15.7
95.08598	28.5
97.10146	10.5
105.07024	34.0
107.08569	16.5
109.10157	18.0
111.11687	5.9
117.06999	15.9
119.08557	13.2
121.10119	8.7
123.11720	8.4
129.07005	5.2
130.07680	3.3
131.08554	14.9
133.10121	23.1
135.11771	4.8
143.08524	7.3
145.10106	47.0
147.11703	26.6
149.13214	7.2
157.10109	10.7
159.11681	37.3
161.13261	8.8
173.13235	12.7
187.14885	5.0
199.14729	8.4
201.16489	4.6
203.42914	3.9
213.16302	4.7
241.19472	5.7
255.21083	6.6
270.13980	4.0
287.27313	4.9
359.35733	3.7
395.31934	4.9
395.36728	100.0
396.37042	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	396.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16850	0.4
69.73152	1.5
69.73563	0.6
79.05466	0.5
86.09676	0.4
93.07028	0.5
98.21555	0.8
106.25127	0.3
109.29379	0.4
119.08572	0.6
123.79213	0.4
136.00172	0.4
151.07539	2.6
156.08006	0.4
159.11736	0.4
165.09172	1.9
174.09132	18.1
175.09747	0.8
179.10646	0.5
184.07310	0.7
186.10336	0.9
187.07581	0.8
188.07080	2.3
189.07814	1.3
202.08575	25.7
203.09399	12.0
217.12227	7.3
218.11742	100.0
219.12100	1.8
230.11812	0.5
306.96036	0.5
355.19040	3.8
396.21603	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40329	0.4
55.05491	0.5
55.67242	0.4
61.02900	0.4
69.03413	1.1
70.42297	0.9
70.42685	1.2
71.04986	0.6
81.03397	0.7
85.02917	0.5
97.02874	0.6
101.23292	0.4
115.05476	0.7
119.04949	0.5
123.04368	0.6
127.03919	0.6
133.02803	0.7
141.05464	0.6
147.04356	1.1
188.06938	0.7
189.55597	0.5
203.05190	0.8
277.00119	0.6
333.12689	0.5
367.08713	0.8
397.11011	100.0
398.11353	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02614	0.7
52.22056	0.6
55.05515	0.7
69.03424	0.8
70.06577	0.6
71.04698	1.7
76.06078	0.6
81.03433	0.7
126.12054	0.7
229.91133	0.7
277.83688	0.8
283.42566	0.7
358.50635	0.8
367.08563	1.6
397.11017	100.0
398.11169	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1465
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
55.06265	0.5
56.25091	0.5
60.42200	0.5
69.03425	0.9
71.04995	0.7
71.52755	0.6
73.60271	0.6
79.05496	0.8
85.02911	0.7
89.49959	0.5
93.07026	0.7
95.08659	0.5
100.11253	1.8
107.04935	0.5
109.02866	0.7
109.10154	0.6
109.31527	0.5
117.08389	0.5
118.40664	0.5
121.06566	0.6
123.04441	1.2
135.08046	1.4
137.06026	1.2
154.12212	0.6
163.07500	0.6
173.85097	0.5
189.12680	0.7
203.05249	24.0
216.92322	0.6
217.08429	1.1
236.72224	0.6
257.41498	0.5
397.14658	100.0
397.31827	1.8
398.14981	2.9
406.60034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1641
Annotation	Ponganone IV
Peak:m/z	Relative Intensity
50.70044	0.3
50.74240	0.3
53.03927	0.6
55.05480	1.0
57.07058	0.5
59.35897	0.3
59.97340	0.4
67.05463	1.6
69.07033	1.6
69.25249	3.9
69.80329	0.4
78.37285	0.4
79.05476	1.4
81.06667	0.3
81.07046	3.9
83.04890	0.4
83.08596	0.7
86.09665	0.5
89.05962	0.4
91.05467	3.3
92.05746	0.6
93.07045	1.9
95.04919	0.4
95.08595	2.4
103.05418	0.4
105.07014	2.1
105.57011	0.3
107.04908	0.6
107.08563	1.6
109.10147	2.1
115.05412	0.6
116.06247	0.6
117.06899	0.5
119.08576	1.7
121.06509	0.4
121.10109	1.5
121.52717	0.3
123.11668	1.4
128.06189	0.7
129.06969	1.4
131.08537	1.5
133.06468	0.5
133.10075	1.1
135.04338	0.4
135.08002	0.7
135.11656	1.1
137.05930	1.1
144.05696	2.2
145.06465	7.7
145.10120	0.8
146.07198	0.5
147.07973	0.4
147.11678	0.6
149.13246	1.2
150.06685	0.4
151.07532	7.7
157.06407	0.7
157.10040	0.4
158.07246	0.8
159.04332	0.4
159.08040	5.5
159.11612	0.4
161.13199	0.5
162.06752	0.6
163.07507	0.7
165.05418	0.7
165.09093	3.9
174.06747	1.9
174.83844	0.4
175.07414	0.5
175.14754	0.8
177.09113	1.4
179.10583	0.4
184.07309	1.2
187.07513	22.5
188.08301	14.0
189.09062	2.7
190.06190	2.7
191.10696	2.0
201.09093	1.0
203.10561	1.8
203.17911	0.7
205.08533	0.6
205.12268	0.5
215.06985	1.6
215.10655	1.2
217.12132	1.0
218.05710	1.5
229.12177	0.8
231.13792	0.7
233.08055	100.0
234.08383	3.1
241.12283	0.6
241.19644	0.3
243.13773	0.7
255.13916	0.4
257.15411	0.7
379.26398	1.2
397.16412	44.4
397.27167	4.1
398.16803	2.4
401.06491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1643
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
55.01853	2.1
55.05488	1.6
57.03424	1.1
60.39621	1.0
61.02901	1.4
69.03415	4.4
71.13589	2.5
79.05489	2.7
81.03404	1.7
81.07049	2.6
83.04985	1.6
85.02888	6.3
88.14835	1.0
89.03925	2.0
91.05468	12.0
94.04190	3.2
95.04967	2.5
95.08615	2.5
96.33592	0.9
97.02885	3.3
97.06489	1.5
103.05466	3.6
105.07011	4.0
107.04934	2.2
107.08601	1.3
109.06512	3.1
115.05434	2.7
115.16016	1.1
117.03352	1.6
117.07010	1.3
119.04930	8.4
119.08592	1.3
121.06495	2.0
121.10113	1.6
122.03650	8.0
127.03930	2.8
128.06230	4.8
129.06981	6.9
131.04938	2.6
131.08549	6.0
133.10107	1.7
137.05968	100.0
138.06313	1.6
141.06963	4.1
142.07762	2.3
143.05017	1.1
143.08577	2.3
144.05721	2.8
145.02838	1.4
145.04996	1.2
145.06497	3.7
146.03633	1.3
147.04430	2.0
147.08041	2.3
149.05981	7.1
149.09618	1.5
151.03844	1.2
151.07536	14.5
153.06947	3.2
154.07816	2.0
155.08511	5.5
157.06483	4.6
157.10135	1.9
158.07272	4.0
159.08020	6.6
161.05991	15.5
161.09634	4.6
163.07582	2.3
165.06970	5.4
167.07179	1.5
167.08549	4.1
168.05621	1.6
169.06477	3.0
170.07230	2.2
171.04410	1.6
171.08057	6.2
172.08821	4.6
173.09708	1.7
175.07523	5.5
177.05460	2.7
179.10582	1.3
181.06482	3.6
182.07257	6.9
183.08037	4.7
184.08836	3.8
185.05992	2.4
185.09615	12.5
186.06750	3.0
187.07602	7.1
187.11217	2.9
189.09157	3.1
191.07025	10.3
193.06416	1.6
194.07269	3.3
195.08072	3.2
197.05995	2.8
197.09567	9.4
198.06725	18.5
199.07481	8.2
200.08325	2.1
201.09019	5.1
202.07748	3.0
203.08684	1.7
203.10619	1.5
205.08665	3.0
209.09724	1.2
210.06801	4.3
211.07527	5.1
212.08365	4.2
213.09090	23.1
215.08795	2.0
215.10533	6.4
217.08549	3.1
217.10373	1.5
217.15857	7.3
223.07552	1.2
224.08342	1.4
225.09106	11.2
226.07813	1.7
227.07054	1.5
227.10658	1.5
228.07722	1.7
229.08392	1.9
229.10413	1.9
230.11292	1.5
231.08049	4.3
231.10138	2.2
232.08917	2.3
233.09581	2.7
235.16794	1.6
242.07207	1.7
242.09444	2.7
243.07935	2.9
243.10127	17.8
245.09593	4.1
245.11766	1.6
246.10400	1.8
247.07501	3.4
247.11324	1.3
248.08231	2.7
248.12076	1.9
249.09149	2.3
255.10193	9.2
257.09586	5.2
258.06729	2.3
258.10345	1.8
259.07608	3.3
259.11212	1.0
260.08481	1.8
261.09061	7.4
262.06256	1.9
262.09961	1.8
263.10666	1.8
263.74161	1.1
264.07867	4.8
265.08609	6.4
269.09711	2.0
271.07559	3.9
271.11374	1.1
272.08313	1.9
273.09055	4.3
273.11285	50.2
274.09720	2.9
275.07544	1.2
275.10684	5.9
276.07886	5.0
276.11261	1.4
277.05856	1.4
277.08505	8.5
277.11523	1.1
278.09283	3.3
279.06552	1.1
279.10114	2.8
285.09094	3.1
286.09872	2.2
287.07071	2.2
287.10660	2.4
288.07855	3.9
289.08646	5.4
289.12262	4.5
290.09329	3.5
291.10132	10.4
292.07309	5.7
292.10580	1.5
293.08096	5.1
293.11719	5.6
294.08777	1.3
301.08673	4.8
301.12012	1.7
302.09399	3.1
303.10068	8.8
304.10919	2.6
305.08163	3.3
305.11673	5.4
306.08865	4.0
306.12158	1.5
307.09641	17.2
308.10413	9.1
309.11081	1.4
314.09351	1.1
315.10260	1.3
316.11035	1.3
317.11563	5.4
318.08990	1.3
318.12503	1.4
319.09653	4.4
319.13116	2.4
320.10529	3.0
321.11154	10.6
321.14484	1.2
321.29303	1.2
322.11856	2.0
323.12787	2.8
325.10825	3.6
328.43228	1.2
331.09763	1.6
333.10980	5.6
334.11890	3.0
335.12714	11.1
336.13522	7.0
337.14224	2.9
339.12280	5.1
346.11826	1.8
347.12866	1.7
348.13583	2.3
349.14276	5.7
351.12228	22.6
351.15845	1.0
352.12827	2.0
353.13931	3.5
354.14578	34.6
355.15082	1.9
361.14291	2.8
365.13828	2.6
366.14487	1.9
367.15436	4.2
379.15393	21.4
380.15759	2.5
397.16528	95.1
397.22064	15.7
398.16876	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	397.1642
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
55.05496	2.3
57.03419	1.5
58.78358	1.0
65.03923	2.6
67.05482	2.4
69.03411	2.2
69.07058	1.3
70.78635	3.2
72.50921	1.4
78.41536	1.1
79.05483	5.7
81.03401	4.1
81.07037	5.0
83.04977	1.6
85.06533	1.6
91.05469	11.8
93.07014	4.6
94.04162	2.4
95.04948	4.0
95.08585	4.6
97.02859	1.9
97.06541	1.1
103.05473	2.2
105.07027	6.8
107.04926	3.6
107.08595	3.5
109.02864	3.7
109.06500	3.3
109.10148	1.5
110.34135	1.3
111.08044	1.3
115.05464	2.3
117.03397	1.6
119.04907	8.3
119.08504	3.0
121.06530	2.9
121.10122	2.1
122.03629	5.8
123.04418	2.2
125.05939	1.3
127.03925	1.9
127.07413	1.0
128.06233	5.5
129.06999	7.8
131.04883	2.5
131.08556	4.6
133.02820	1.6
133.06485	2.7
133.10138	3.4
135.08011	1.6
137.05963	98.3
138.06293	1.8
141.06969	4.3
142.07727	2.7
143.04907	1.4
143.08528	3.2
144.05685	3.0
145.06400	2.5
145.10126	2.1
146.07294	1.5
147.04384	3.3
147.08037	1.8
147.11633	2.1
149.05946	5.4
149.09584	1.9
151.07536	10.9
153.05524	1.7
153.07013	1.8
154.07771	1.9
155.08528	5.0
157.06500	2.6
157.10121	1.4
158.07260	3.2
159.08041	8.2
159.11700	1.5
161.05978	14.1
161.09602	4.9
163.07478	2.0
165.06982	4.0
167.08530	2.5
168.05717	1.7
169.06462	2.9
170.07236	2.7
171.08038	5.2
172.08844	3.7
173.05981	1.4
173.09550	3.0
174.06741	1.4
175.07454	5.6
175.11180	2.1
176.44028	1.4
179.06958	2.0
181.06482	3.4
182.07265	6.5
183.08049	3.8
184.05206	2.2
184.08800	3.9
185.05984	2.5
185.09586	11.7
186.06789	2.2
187.07518	7.0
187.11195	2.4
189.09038	4.6
189.12743	2.5
191.07048	6.5
193.06471	1.4
193.12230	2.4
194.07272	3.4
195.08070	2.2
197.05965	2.2
197.09599	10.7
198.06754	17.1
199.07477	7.1
199.11046	1.4
200.08269	3.2
201.09087	4.9
203.08760	1.6
203.10677	2.0
205.08513	1.3
210.06743	4.7
211.07515	3.4
212.08298	4.5
213.09073	23.3
213.10995	1.7
215.08766	2.0
215.10649	7.7
217.08568	3.2
217.12216	1.2
217.15874	3.1
218.07170	2.0
224.08195	1.6
225.09085	11.9
226.09555	1.5
228.07785	2.1
229.08372	2.0
229.10400	1.4
231.06328	2.4
231.08302	1.8
231.10147	1.6
232.08882	1.4
233.09621	1.8
235.13281	2.8
235.16850	2.8
236.08299	1.4
242.09381	2.1
243.07767	1.8
243.10139	21.9
245.09523	3.6
245.11775	2.1
247.07404	1.3
248.08354	3.2
249.09125	1.4
251.07042	1.3
255.10098	7.0
257.06421	1.1
257.09644	3.5
258.06601	1.4
259.07523	2.1
260.08282	2.3
261.09146	5.3
264.07755	1.9
265.08514	2.5
271.07513	3.3
272.08286	1.5
273.11221	70.5
274.11780	2.1
275.07150	1.2
275.10623	4.5
276.07819	2.8
277.08588	4.7
278.09360	3.7
279.10114	1.6
285.09164	2.2
286.09738	2.1
287.07062	2.0
287.10449	1.5
288.07870	1.9
289.08517	3.7
289.12061	2.9
290.09323	2.7
291.10107	7.9
292.07355	2.3
293.08041	3.6
293.11670	2.9
301.08606	3.0
302.09241	3.5
303.10239	6.0
305.07947	3.3
305.11661	4.1
306.08896	2.1
306.12494	1.2
307.09589	9.7
307.12842	2.1
308.10367	4.8
309.11130	1.6
317.11673	5.1
318.12393	1.7
319.09668	3.3
319.13165	2.6
320.10336	2.3
321.11215	7.9
322.11871	2.2
323.12604	3.2
325.10663	2.6
330.26401	1.3
333.11108	3.4
334.11890	2.7
335.12766	7.1
336.13464	2.4
337.14307	2.6
339.12305	2.9
348.13400	1.9
349.14398	5.3
351.12219	12.4
353.13907	3.3
354.14645	18.6
355.14850	1.5
361.14114	1.7
365.13919	2.4
367.15463	4.8
379.15308	15.0
397.16446	100.0
398.16718	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	397.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.9
55.01847	4.1
55.05501	22.1
56.77344	2.4
57.03417	4.2
57.07058	5.0
59.04992	6.1
65.03920	7.1
67.05500	37.9
69.03418	25.2
69.07059	32.1
71.04989	36.2
73.06516	3.9
73.62032	2.1
79.05495	25.0
81.03420	18.1
81.06586	4.3
81.07050	66.4
83.04967	9.8
83.08607	16.5
84.04454	2.4
85.02885	14.7
85.06541	3.2
89.05995	4.9
91.05469	31.4
93.07033	49.7
95.04950	33.4
95.08041	4.4
95.08598	39.0
97.02881	7.7
97.06499	9.7
97.10155	7.7
99.04435	5.1
99.08076	4.5
103.05442	4.6
105.07024	48.1
107.04942	6.0
107.08583	100.0
109.02849	6.8
109.05887	2.2
109.06494	13.5
109.09461	4.7
109.10141	59.6
111.08069	45.6
115.05421	3.6
117.07005	7.0
119.04907	5.2
119.08565	58.7
120.58871	2.9
121.06484	8.7
121.10118	27.3
123.04459	2.9
123.08041	4.8
123.11693	11.1
125.05962	4.7
125.09612	40.5
127.03900	8.3
127.11173	4.1
128.06149	3.4
129.06995	7.6
131.04967	2.7
131.08543	19.0
133.02887	3.2
133.06578	2.8
133.10129	23.7
135.04343	3.0
135.08086	3.8
135.11690	37.7
137.05980	28.2
137.09581	4.9
138.06242	3.0
139.07532	3.2
139.11118	2.8
142.07698	4.7
143.08542	9.2
145.06572	4.3
145.10106	33.0
147.04425	3.1
147.08018	9.0
147.11671	77.1
148.12038	4.4
149.05997	2.9
149.09637	4.2
149.13260	6.2
151.03882	6.5
151.07449	4.8
153.12703	34.1
155.08516	6.0
157.10107	9.4
159.11716	12.8
161.05983	6.5
161.09583	8.0
161.13240	7.9
161.96364	2.9
163.03896	2.4
163.11188	6.1
165.12732	6.4
167.08591	3.7
169.10022	2.9
171.08096	3.8
171.11603	6.1
172.08900	2.9
173.09567	3.8
173.13272	7.9
174.79237	2.5
175.07484	3.8
175.11180	9.7
175.14813	10.6
177.09111	4.0
185.09697	3.0
186.06529	2.4
187.07628	2.9
187.11247	3.6
187.40277	2.7
189.09097	2.8
189.12741	3.4
189.16368	40.4
191.06996	3.4
191.10745	2.7
191.18004	3.2
193.15933	4.2
197.09532	4.9
197.13206	4.5
198.06662	4.0
199.07539	4.8
199.11188	5.6
199.14798	6.9
201.08963	3.6
201.97200	2.6
203.10762	2.4
207.17450	10.0
213.09102	8.1
213.12674	3.1
215.10556	4.3
217.15863	35.7
235.13232	3.1
235.16913	30.8
243.10254	3.3
253.18019	9.2
273.11295	15.9
276.07700	3.2
277.08603	2.8
291.10013	3.6
307.09555	2.7
308.10526	3.7
317.11893	2.9
335.12500	2.9
354.14581	7.1
365.13724	2.7
379.15503	6.4
379.21115	7.8
397.16400	42.1
397.22046	13.7
397.26981	12.2
397.31143	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53504	1.1
53.85601	1.3
55.05503	3.8
57.07068	1.5
67.05479	7.4
69.07041	5.9
70.23415	4.5
79.05487	4.4
81.07050	11.7
83.08636	2.8
91.05477	6.8
93.07040	8.0
95.04948	2.0
95.08611	11.0
96.08962	0.9
97.10185	1.8
104.28004	1.0
105.07013	8.2
107.01963	1.0
107.04958	5.7
107.08587	10.9
108.05727	2.6
109.06524	2.1
109.10171	6.9
117.06983	2.1
119.08575	3.7
121.06527	4.0
121.09355	1.2
121.10122	5.8
123.08078	1.2
123.11684	2.4
125.09663	1.0
129.06966	1.7
131.08551	2.1
133.10126	4.3
135.04381	1.6
135.11713	6.3
136.05179	2.6
137.13181	1.5
143.08527	1.4
145.06506	1.5
145.10136	2.2
146.07274	2.2
147.08081	1.2
147.11687	3.9
149.13286	2.6
151.07532	100.0
157.10034	1.3
158.07323	1.5
159.08040	1.8
160.08841	2.4
161.05943	1.0
161.13249	2.0
162.06850	1.3
163.14725	1.4
165.05408	2.2
165.09114	3.9
174.10405	1.1
175.14847	3.0
176.08284	2.2
177.09117	8.6
177.16368	3.2
188.08368	2.3
189.09123	4.4
189.16402	2.1
191.10625	7.1
201.09079	2.7
202.09978	2.1
203.10667	12.5
203.17877	5.9
205.12225	2.1
215.10698	5.4
215.17963	1.6
217.12270	4.2
229.12238	2.7
231.13623	1.4
241.12189	2.7
243.13789	1.6
255.13680	1.6
312.75745	1.1
332.52832	1.1
375.05441	1.1
379.26669	6.3
397.16229	1.4
397.27338	15.6
397.38443	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61582	3.5
52.49005	3.2
53.03943	4.7
53.30453	3.8
55.05503	8.7
55.18752	3.3
57.07066	4.1
67.05479	6.8
68.71082	3.8
69.07057	10.3
79.05483	10.7
81.07060	24.6
83.08611	5.5
83.73206	3.4
91.05474	17.8
93.07038	20.2
95.08597	22.5
98.20763	7.5
99.64561	3.6
100.11982	3.4
105.07001	22.5
107.04923	5.8
107.08596	22.6
109.10143	10.7
112.90781	3.8
117.07034	4.6
119.08561	16.9
121.06486	13.4
121.10155	21.2
123.11685	5.1
129.06999	4.1
131.08586	9.5
133.10110	15.7
135.11691	9.3
137.05920	4.3
145.10107	7.1
147.08025	3.7
147.11667	9.5
149.05937	6.9
150.06718	10.3
151.07509	62.8
157.06503	4.0
159.08061	8.6
159.11694	5.7
160.08821	40.6
161.09578	4.0
161.13226	8.2
165.05420	5.0
165.09082	92.0
166.49434	3.5
174.10281	5.4
175.14827	6.7
176.08310	9.4
177.09096	15.8
177.16351	7.5
179.10678	6.8
188.08305	6.9
189.09100	12.1
189.16368	10.5
191.10648	100.0
193.08577	4.0
199.14671	4.9
201.09081	9.9
201.16432	4.2
202.09860	3.9
203.10670	13.5
203.17886	7.0
215.10597	6.1
215.17911	5.3
217.12236	7.2
223.65884	3.8
229.12151	6.0
243.13850	7.8
255.13820	4.7
255.66978	3.8
257.15378	3.6
271.16739	5.6
379.26068	24.6
397.27322	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78470	1.6
67.05501	11.0
69.07060	5.2
70.72605	1.9
79.05479	7.1
81.07041	14.4
83.08611	4.3
91.05476	8.6
92.61423	2.5
93.07037	8.8
93.46615	2.0
95.04957	6.8
95.08598	20.2
97.10200	2.2
105.07025	11.8
107.04902	2.5
107.08572	10.3
109.10142	11.1
117.07048	2.7
119.08550	11.3
121.06466	3.2
121.10141	10.4
123.11716	6.5
131.08531	4.7
133.10129	6.1
135.11687	4.7
136.05194	4.1
137.13232	2.8
144.40343	1.9
145.10136	6.1
147.07971	2.3
147.11674	6.2
149.13277	2.7
151.07533	100.0
154.95160	1.9
159.11699	2.8
160.08841	2.9
161.13254	4.5
163.14813	2.1
165.05457	4.6
165.09137	12.0
173.13298	2.9
174.06781	2.0
175.14795	5.2
177.09125	6.7
177.16313	3.3
179.10678	3.1
185.13258	2.3
187.14891	2.9
188.08345	3.3
189.09100	3.6
190.09857	2.3
191.07008	2.8
191.10645	11.9
201.09041	5.7
201.16432	2.5
203.10634	10.5
203.18004	3.7
205.12233	7.6
215.10725	8.4
215.17944	2.8
217.12228	6.0
227.10617	3.1
229.12212	3.8
231.99696	2.1
241.12230	3.6
241.19525	2.8
243.13896	3.1
255.13849	4.7
257.15506	3.3
295.16791	2.4
303.19592	2.2
353.24643	3.6
379.26306	11.8
397.27368	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	397.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	16.9
57.07072	19.6
64.93470	1.4
67.05496	40.3
69.07060	37.8
69.47955	14.5
71.08627	22.7
76.59348	1.6
79.05062	2.3
79.05482	23.5
81.07048	70.5
83.08615	20.6
85.10177	14.6
85.83357	1.4
91.05463	20.7
93.07034	31.4
95.08597	68.3
97.10158	17.1
101.06360	1.9
105.07020	40.8
105.07642	1.5
106.14114	1.8
107.08585	33.1
107.63007	1.8
109.10143	52.0
111.11721	9.5
119.08556	35.8
121.10130	26.4
123.11707	19.7
125.13200	3.0
131.08551	4.2
133.10126	29.2
135.10686	3.3
135.11676	48.8
137.13264	8.2
145.10117	7.1
147.11668	81.5
149.13242	24.5
151.14822	4.1
159.11679	7.3
161.13235	60.1
162.13596	2.4
163.14812	10.9
165.16367	5.5
173.13222	4.8
175.14827	26.2
177.16374	2.2
187.14792	4.6
189.16342	12.1
191.17984	2.1
193.19460	3.0
201.16330	8.1
201.33241	1.7
203.17964	10.8
215.17970	13.2
217.19495	6.3
221.22618	2.3
229.19547	5.4
243.18813	1.7
243.20987	8.3
247.24243	3.0
255.88174	1.9
257.22659	10.4
261.25705	7.2
266.83502	1.5
275.27441	3.7
285.25778	3.2
287.27322	5.5
301.28958	3.3
315.30307	7.2
358.30750	1.9
397.38229	100.0
398.38684	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	397.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
54.52687	2.0
55.05500	14.7
57.07066	18.7
58.23119	2.0
62.24298	2.0
67.05496	32.8
69.07058	30.5
71.08614	19.9
79.05498	15.9
81.07041	61.3
83.08601	14.6
85.09721	2.4
85.10152	12.8
91.05462	17.2
93.07030	26.6
95.08592	55.0
97.10138	11.9
98.20734	6.9
102.50992	2.0
105.07023	33.6
105.50126	2.2
107.08579	23.7
109.10136	47.1
111.11692	7.8
117.06966	2.4
119.08562	29.8
121.10126	18.9
123.11703	16.9
125.13238	3.2
133.10106	20.7
135.11676	40.3
137.13239	4.1
145.10091	6.4
147.11668	61.9
149.13225	20.2
151.14810	2.5
159.11667	6.2
161.11975	4.1
161.13235	54.7
162.13538	2.2
162.28909	2.2
163.14801	8.7
165.16360	2.9
173.13164	4.1
175.14818	16.5
177.16429	3.3
179.17896	2.0
187.14717	4.4
189.16367	9.3
193.19527	2.2
201.16322	5.4
203.17963	8.5
215.17909	9.0
217.19453	4.2
229.19536	5.0
229.80046	2.3
235.57816	2.5
243.21054	8.3
257.22641	10.1
261.25858	3.5
275.27286	4.6
278.08749	1.9
287.27386	4.5
299.26886	2.7
301.28928	3.7
315.30444	4.1
397.38235	100.0
398.38467	6.3
419.72723	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	398.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	7.3
57.03427	19.7
59.04991	2.7
61.02911	7.2
69.03418	65.7
69.07058	30.4
69.65059	17.6
73.02910	36.8
75.04438	2.7
81.03397	7.5
81.07037	5.2
85.02895	100.0
85.06528	2.9
86.03209	3.1
87.04446	29.2
89.06052	3.4
91.03906	3.6
91.05479	10.1
93.07045	5.0
95.04997	2.9
95.08597	5.7
97.02880	68.8
99.04434	3.9
101.02308	2.5
103.03900	2.5
105.07005	2.7
106.72103	2.4
107.04939	3.5
107.08578	4.2
109.02876	7.2
109.06487	3.1
109.10112	2.4
111.04397	3.2
111.08068	10.0
115.03922	57.9
115.51382	2.4
119.04917	4.2
119.08584	12.1
121.02838	3.7
121.03771	2.4
123.08060	2.7
127.03887	24.9
133.04948	72.7
137.09608	12.7
139.03961	2.6
145.04935	41.2
147.04404	10.8
150.07588	6.9
163.03865	2.6
163.06007	28.0
163.07314	4.8
165.09093	7.1
167.07036	15.6
183.10144	7.2
185.21364	2.2
188.07089	3.2
201.11165	23.3
219.12247	4.4
231.12245	2.7
241.06990	6.0
243.25566	2.4
259.08127	9.7
277.09082	3.8
295.10199	5.0
380.13101	2.8
398.14484	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	398.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
55.05504	1.3
57.03428	3.3
61.02908	1.4
67.05494	5.0
69.03422	6.0
69.07058	4.3
70.85875	2.1
71.04982	1.3
73.02903	5.3
81.03417	1.5
81.07068	1.1
85.02903	11.6
87.04470	2.1
91.05470	10.4
93.07037	7.5
95.08598	12.2
97.02886	7.2
99.04448	1.8
101.02388	4.3
103.05505	1.6
107.04948	1.8
109.02925	1.7
109.10126	8.1
115.03898	5.5
118.91993	1.0
119.04926	1.1
119.07705	1.8
119.08570	33.7
120.08831	1.0
125.00103	1.0
127.03930	2.2
131.04916	4.2
133.04951	2.8
137.09605	30.5
145.04967	5.1
145.05988	1.1
147.08009	3.0
155.10631	2.4
163.06021	1.9
163.07565	1.2
165.09085	4.8
183.10083	6.0
200.10692	1.2
201.11200	100.0
202.11607	2.3
208.49922	1.0
219.12234	12.4
236.03784	1.1
236.09084	1.1
274.80087	1.2
396.02701	1.2
398.14548	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17323	1.7
54.18495	2.0
56.96559	21.9
71.51562	2.9
71.95259	3.5
96.11028	1.7
97.02905	2.4
98.97570	68.2
98.98201	3.5
101.00897	2.1
115.69923	1.8
116.98610	74.9
119.01913	31.9
120.02055	2.7
121.01669	4.3
121.47059	1.6
134.99643	70.7
137.02960	17.8
138.03059	2.3
142.03479	6.2
144.03323	2.3
153.00737	11.2
158.01216	4.3
160.04570	4.3
177.00967	11.7
179.00797	5.2
190.95419	4.4
192.98828	2.5
208.96556	3.0
214.95540	2.7
218.53745	2.0
219.01981	5.2
220.02084	2.8
221.01860	2.3
232.96506	9.7
234.99951	4.0
238.95822	1.9
250.97644	6.4
256.96512	25.8
257.96841	3.3
258.96405	6.5
258.99954	6.5
261.03006	15.3
262.03000	2.4
263.02939	5.0
264.03210	2.2
272.94556	8.3
274.97507	100.0
275.97873	2.6
276.97610	4.9
277.00940	7.2
283.00037	7.2
290.95563	3.3
292.98523	71.7
297.99060	6.3
298.97693	8.2
299.97754	2.1
301.01031	19.8
302.01218	4.2
314.95679	6.5
316.00174	3.5
316.98804	17.1
317.99054	3.5
324.91064	2.6
332.96771	2.6
337.38855	2.0
343.89554	2.1
345.39856	2.1
356.98077	2.8
360.57843	2.6
372.94611	4.1
373.25568	3.5
374.99509	9.4
377.88745	6.5
378.21939	4.9
378.55209	6.8
378.88464	6.4
379.88937	4.5
380.22263	2.1
380.92621	3.9
380.96967	4.1
381.93527	11.1
382.43292	8.4
383.88629	2.6
384.88367	2.4
385.89026	5.9
386.22412	3.0
386.55746	3.7
386.89493	3.8
387.23553	2.2
388.88745	2.2
390.22513	2.4
390.93680	2.5
391.43671	3.4
392.88248	4.4
394.91534	15.1
398.97946	15.4
410.89023	7.8
411.89331	5.6
412.92786	3.9
417.93024	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	399.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22134	4.0
55.01877	5.3
56.05024	5.0
56.96555	11.0
61.02924	4.1
63.84393	3.5
69.03413	15.7
71.52363	5.3
75.26095	3.7
84.51928	3.4
85.02916	17.1
91.05473	8.0
97.02874	49.3
98.97599	22.1
101.00861	6.6
102.05524	13.3
107.04940	6.3
113.00844	4.5
116.98611	7.7
119.01879	25.0
119.04959	3.8
120.02044	3.9
121.01620	4.4
123.04439	5.7
127.03904	13.4
128.98592	5.8
131.00146	8.1
131.01891	14.7
134.99692	4.5
135.04410	5.2
136.06189	36.1
137.05965	22.9
139.03897	7.5
143.01903	10.3
145.03403	11.0
146.05974	10.3
146.99637	8.2
147.03256	9.3
147.04382	7.4
149.01212	7.3
155.01843	9.5
156.03621	12.6
157.03453	5.6
158.06093	4.3
158.99683	10.1
159.03146	5.6
161.02940	14.7
163.03877	9.0
170.99646	5.2
173.02921	12.8
175.28943	3.8
177.00665	9.0
177.04022	4.0
181.03462	6.3
189.00769	8.1
189.02501	4.2
191.02165	4.5
195.04977	29.5
197.02901	7.4
203.03941	6.5
213.06140	15.4
219.01709	11.9
219.05174	4.4
219.07716	8.5
221.05045	9.6
228.05692	26.1
228.55859	8.6
237.02861	10.0
237.06110	23.1
244.04263	4.8
245.05052	13.7
249.06180	12.3
250.09317	41.1
255.03984	4.1
255.07137	6.2
257.04474	6.7
260.69391	3.9
267.07211	4.5
279.03970	4.2
291.07086	15.7
294.05777	12.2
309.08105	12.2
339.09329	100.0
340.09332	7.0
357.06372	3.9
357.10355	40.9
399.11218	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98034	1.4
53.03919	1.2
56.05023	2.6
56.96556	13.2
57.03428	1.3
57.07084	1.9
61.01139	1.8
61.02911	2.2
69.03424	7.3
69.45819	5.3
69.46248	5.9
70.06574	1.3
71.08635	1.8
73.02916	2.1
77.00890	1.4
81.03413	5.8
83.04948	1.7
84.96028	1.7
85.02896	9.5
91.05487	7.6
96.05310	1.4
97.02883	25.5
98.03293	1.5
98.97571	26.9
101.00890	4.4
102.05519	7.0
102.96873	2.0
105.94333	1.4
109.02872	2.8
110.97576	3.2
111.11884	1.4
113.00888	1.8
116.98627	20.7
118.01112	2.9
119.01907	20.9
119.04924	7.6
123.04417	2.3
127.02433	1.8
127.03911	2.9
128.98625	4.7
129.24774	1.6
131.00244	1.9
131.01878	13.2
133.03468	1.9
134.99666	12.2
135.04398	2.1
136.06178	16.0
137.02930	4.0
137.05962	25.4
139.03932	2.5
142.03407	1.3
143.01830	3.1
145.03467	13.6
146.05969	2.6
146.99638	3.8
147.01328	1.9
147.04346	9.9
147.06415	1.8
149.01138	2.4
149.02937	2.1
151.20282	1.6
153.00635	2.0
155.01883	8.2
156.02684	3.9
157.03433	3.3
157.52679	1.5
158.01236	1.7
158.99675	3.8
159.01137	1.3
160.02243	1.7
161.01213	2.5
161.02954	8.9
161.04169	1.7
163.03867	4.5
167.01834	1.7
168.02687	2.7
173.02946	15.3
175.04552	1.9
177.00664	3.5
177.04016	2.9
177.36279	1.5
177.46092	1.4
178.98431	1.7
181.03458	3.7
182.72446	1.4
183.05046	4.3
185.02953	6.3
187.04562	2.8
188.07022	2.0
189.00772	1.9
190.95496	2.1
191.08188	1.7
195.03242	2.6
195.05006	39.6
195.06705	2.5
196.02074	1.6
196.04933	1.7
197.02933	7.3
199.04570	2.6
201.00700	3.0
203.03902	7.2
207.05013	2.6
210.03676	4.1
211.02869	1.4
213.00777	1.7
213.04305	2.8
213.06090	19.2
218.04420	1.4
219.01831	6.1
219.05049	5.7
219.07549	1.5
221.04968	17.1
223.04585	2.1
225.06096	3.4
227.07684	3.3
228.02713	3.3
231.05084	6.1
231.07130	3.3
233.06694	1.9
237.02765	10.7
237.06116	10.9
237.08452	2.8
238.03476	1.4
244.04161	7.4
245.04970	13.5
246.03583	10.3
249.06071	7.6
250.09337	14.4
250.97647	2.5
251.07545	4.2
255.07268	7.3
256.96436	1.6
261.06189	6.4
262.05692	1.7
263.06015	3.8
264.04709	1.5
267.07129	4.8
269.08810	3.0
273.06161	6.4
274.97537	17.1
279.07153	6.4
281.08801	2.1
291.07129	18.5
292.07272	1.9
292.98505	11.3
294.05807	17.3
297.08243	3.9
309.08221	11.2
312.07175	1.5
316.98575	1.6
321.08240	4.3
338.03018	1.4
339.09280	100.0
340.09439	5.1
348.06885	6.2
357.10278	42.7
363.09061	2.7
380.11887	4.9
381.10458	2.4
399.12720	35.8
399.24274	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
56.05045	0.7
56.96558	3.6
57.03422	1.2
57.07053	0.6
58.53401	0.5
61.02921	1.4
69.03410	2.3
70.01768	2.5
73.02907	1.0
81.03421	0.9
83.04962	0.8
85.02896	4.5
87.04485	0.7
89.03889	0.8
91.05464	0.8
97.02887	4.6
97.96839	0.5
98.97579	7.0
102.05517	0.8
107.04990	0.6
109.02853	0.8
110.97580	0.7
116.98611	4.1
119.04920	1.0
120.97965	0.6
124.43967	0.5
127.03916	1.4
128.98592	2.1
130.08659	0.6
133.06453	0.6
134.99664	2.0
135.04385	1.5
136.06145	3.1
137.05978	4.0
143.00099	0.6
145.02867	0.6
146.99667	1.5
147.04379	2.6
149.01089	0.6
155.04607	0.9
158.99625	1.1
161.01259	0.7
163.03900	3.9
177.00731	1.9
177.05545	0.5
197.10704	0.6
201.00656	0.7
202.06895	0.6
205.05383	0.8
208.04996	0.6
209.04832	0.5
211.07315	2.0
219.01729	2.2
227.06813	1.1
227.56886	0.7
231.05304	0.6
237.02779	4.7
238.03203	0.5
244.04375	1.4
244.07726	1.5
250.09326	2.2
272.10147	0.7
272.60260	1.1
280.07071	1.5
299.57959	0.7
304.53925	0.7
310.10324	0.6
321.08466	0.7
325.10446	4.4
325.60690	0.8
339.09293	1.0
348.06937	0.9
363.09360	0.8
364.65332	0.6
381.11432	4.3
399.12595	100.0
400.12900	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	399.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
54.47222	1.1
54.47646	1.1
55.01854	3.7
56.96545	1.9
68.02583	1.1
69.03423	2.5
79.05486	6.7
81.03415	1.4
83.04969	1.5
85.02901	3.1
91.05463	4.5
95.01336	1.4
95.04948	2.3
97.02852	2.5
98.97549	2.8
99.04390	1.6
101.06049	1.6
103.05463	9.8
105.07018	61.4
107.04943	2.3
109.02838	1.8
111.04417	2.5
113.07574	1.2
115.05430	17.1
116.98608	1.2
117.06987	2.0
118.04166	5.9
119.04992	1.4
123.04369	2.8
127.03947	2.1
128.06209	1.3
129.06990	2.4
131.04904	6.8
131.08572	2.8
132.05737	2.6
133.05460	2.7
133.06479	53.5
139.03883	1.6
143.04991	1.6
143.06023	3.3
144.05646	3.1
145.06479	3.8
147.04362	2.9
154.06195	1.4
156.05649	1.8
157.06467	1.9
159.08032	2.3
160.05173	2.3
161.05959	100.0
162.06441	2.3
163.03883	4.7
167.06992	9.8
171.04399	2.4
172.05157	2.5
173.05957	5.0
175.03860	2.1
175.07468	2.2
177.00716	2.0
177.05470	1.8
181.04941	4.6
182.05731	3.0
185.06012	1.7
187.07552	3.1
189.05440	4.4
191.07089	3.0
193.08572	56.1
197.08073	12.1
201.05420	2.8
203.07024	3.0
204.04144	1.6
205.08661	1.6
207.06442	2.1
213.05399	2.4
214.06395	1.4
216.04010	1.3
217.08635	4.4
218.05696	1.3
219.06465	2.4
221.07980	1.7
231.06474	10.7
233.08037	6.3
245.08105	3.6
247.05991	4.6
249.07611	2.6
257.04520	2.1
257.08057	1.8
259.06018	6.7
261.07581	7.3
263.09113	2.5
273.07474	5.7
275.09042	2.8
279.05573	1.9
289.06973	7.4
291.08572	2.1
301.06998	9.8
303.08682	2.8
319.08115	9.4
321.09686	1.9
341.93985	1.5
349.09097	2.4
399.10193	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.8
55.01855	11.6
55.05509	44.5
56.00526	5.1
57.03432	8.5
59.04987	13.1
63.09883	5.2
69.03428	39.9
70.06579	29.0
71.04986	6.1
71.53057	10.2
79.05470	9.9
81.02962	7.6
81.03406	61.8
81.07038	7.5
83.04967	68.2
85.02906	76.3
86.09699	10.1
91.05478	43.7
93.07031	13.0
95.04957	13.6
95.08615	7.9
97.02869	23.3
101.05974	9.9
105.07010	17.5
107.04907	10.6
107.08535	10.7
109.02887	28.4
109.06504	5.8
115.05364	7.0
117.07000	9.9
119.04917	21.9
119.08543	7.0
121.06467	13.7
123.04405	15.3
127.03895	73.7
129.05421	11.3
129.06998	15.8
131.04887	9.8
131.08527	6.0
133.06497	8.7
133.10094	7.2
136.48268	5.1
137.04999	8.7
137.05969	97.6
139.16252	5.6
143.04854	8.0
143.06970	6.3
143.08559	6.9
145.04938	40.3
145.06441	20.2
147.04411	38.4
149.05949	19.0
149.09721	5.2
151.07523	16.0
153.06969	6.7
157.06436	13.9
161.05988	28.9
161.09616	5.7
165.05452	100.0
167.07068	15.2
171.07997	7.9
173.05968	13.8
175.07564	34.7
177.05482	10.7
179.06975	23.7
181.06519	8.2
183.14928	6.2
185.05934	16.4
185.08017	9.6
187.06053	10.5
189.05534	6.6
189.09048	6.8
191.07059	26.3
195.06570	11.5
199.07556	14.4
201.05507	7.1
203.07057	35.8
215.06989	7.8
217.08585	13.3
219.06462	12.8
221.08047	22.2
227.09059	7.0
233.08044	24.8
245.08069	59.6
263.09128	48.3
281.10229	26.9
399.16223	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	399.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	9.2
55.01839	10.5
55.05503	43.7
57.03432	10.0
59.04976	9.1
64.48458	6.0
65.11459	6.9
66.63909	6.1
67.05472	8.6
69.03428	36.6
69.45261	28.0
69.45673	23.5
70.06582	23.1
71.24315	6.3
72.24011	6.6
73.30674	6.5
77.88992	6.8
81.03407	43.7
81.07057	10.8
83.04973	58.4
85.02907	58.1
85.94247	6.2
91.05464	44.9
93.07019	10.0
95.08586	6.5
97.02868	18.8
98.20744	10.6
99.04450	10.1
101.05994	7.7
103.03924	11.0
105.06988	21.1
107.04939	8.3
107.08584	11.1
109.02860	21.0
110.50217	7.1
115.05467	13.5
117.07000	8.7
119.04932	28.2
119.08551	9.0
121.06487	9.4
123.04419	20.9
124.07645	7.4
127.03906	55.8
129.06992	21.0
131.04924	10.2
133.06468	6.7
135.04483	8.7
137.05962	87.6
145.04938	31.8
145.06430	10.9
147.04416	35.7
149.05945	26.7
151.07512	23.2
157.06416	17.5
161.06010	20.9
163.07521	16.4
165.05452	100.0
167.07072	10.3
171.08099	7.2
175.07544	24.9
179.06976	15.3
181.06502	8.3
183.14882	9.1
185.06038	9.0
185.08054	8.4
189.05453	16.7
191.07011	28.5
199.07571	15.9
199.23248	6.9
203.07068	34.2
203.08769	7.5
217.08563	15.7
221.08124	33.8
233.07993	9.9
245.08131	48.1
263.09058	37.1
272.37152	6.9
281.10239	16.7
308.79181	7.6
323.21335	6.1
344.81046	7.8
399.16171	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	399.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
54.14139	0.3
55.05501	0.9
57.07063	0.9
65.03939	0.8
67.05493	0.6
69.07056	0.6
71.08625	0.9
74.03535	0.3
78.04716	0.6
79.05489	0.5
81.07050	1.7
83.08621	0.6
85.10179	0.6
86.09732	0.4
91.05470	4.4
93.07034	1.8
95.04979	1.9
95.08595	1.1
97.10153	0.5
101.06019	0.3
103.05473	0.4
105.04482	0.5
105.07005	2.1
107.04942	0.6
107.08593	1.1
109.10148	0.7
117.06933	0.4
119.08568	0.7
121.06496	48.1
121.10119	0.6
122.06823	1.1
123.11665	1.7
126.40993	0.3
128.06178	0.4
129.07002	0.5
131.08591	1.0
133.06471	0.8
134.03613	1.2
135.04385	0.7
135.08066	0.6
137.05991	1.9
142.07692	0.4
143.08554	1.2
145.06456	0.8
145.10060	0.4
147.11621	0.4
149.05971	100.0
150.06313	2.0
151.07547	3.2
157.10046	0.4
159.08017	1.6
160.08748	0.6
163.03873	0.7
163.07535	0.8
165.05464	0.5
165.09100	3.0
167.07034	9.3
171.08018	0.9
172.08698	0.3
173.05963	0.6
173.09583	0.8
177.05460	77.8
178.05789	1.6
188.08322	3.6
189.09055	2.1
190.08525	0.5
191.10660	3.7
195.06520	38.7
196.06937	0.9
203.10657	14.4
204.11287	1.2
205.12263	2.7
215.10570	0.6
217.08575	0.4
217.12285	2.8
229.46693	0.5
269.04428	0.3
296.29498	8.4
381.16821	2.4
398.45822	0.4
399.17612	1.1
400.38269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03140	0.4
53.03934	1.4
55.01869	0.7
55.05523	0.6
57.07064	1.6
65.03929	0.6
67.05515	0.8
69.07056	0.6
71.08617	1.2
71.52469	0.6
78.04726	0.8
79.00538	0.4
79.05480	0.8
81.07046	1.0
85.10174	0.7
88.07639	0.4
90.22012	0.4
91.05466	6.0
93.07031	1.7
95.04961	2.5
95.08578	1.6
105.04518	0.8
105.07022	1.2
107.08545	0.8
109.10126	1.1
119.08563	0.5
121.06491	48.6
122.06817	0.9
123.11712	1.1
128.06242	0.5
131.04846	0.5
131.08557	1.1
133.06406	0.6
133.10114	0.4
134.03604	0.9
135.04305	0.4
137.05965	1.8
143.08530	1.5
143.20822	0.4
145.06459	0.9
145.10112	1.0
147.11621	0.5
149.05962	100.0
149.54445	0.5
150.06310	1.4
151.07538	2.8
157.06398	0.5
157.10094	0.9
159.08032	1.5
163.03883	0.4
163.07558	1.1
165.05508	0.4
165.09099	2.1
167.07004	6.7
171.08051	0.9
173.09593	0.7
177.05450	77.1
178.05791	1.2
185.09595	1.1
187.07788	0.4
188.08279	3.3
189.09090	2.0
190.08546	1.0
191.10614	3.3
193.08507	0.5
195.06506	36.7
196.06819	0.6
203.10651	13.5
204.11246	0.7
205.12259	2.2
217.12207	3.3
271.16553	0.4
296.29443	11.8
381.16968	2.8
399.17688	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36226	0.5
53.03937	1.2
55.05517	0.6
57.07067	0.6
65.03947	1.3
67.05494	1.1
69.07043	1.1
70.11992	2.5
79.05500	0.7
79.22210	0.6
81.07092	1.1
86.09702	0.8
91.05470	4.3
93.07038	1.8
95.04973	2.8
95.08600	0.9
105.07018	0.7
107.08613	0.8
107.69718	0.6
117.06987	0.7
121.06492	46.3
129.07008	0.6
135.83635	0.5
137.05977	2.1
143.08534	1.3
145.10109	1.2
149.05968	100.0
150.06300	1.6
151.07492	3.2
159.08060	1.3
165.05424	1.1
165.09077	1.2
167.07019	10.4
172.08833	0.8
177.05455	78.8
178.05807	1.5
188.08286	3.2
189.09036	1.6
190.08524	0.9
191.10631	1.8
195.06517	36.6
203.10643	14.7
204.11340	0.8
205.12268	3.0
217.12227	2.3
353.17508	0.7
381.16843	2.4
397.58588	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2159
Annotation	3-Hydroxy-5-methyl-2-[8'-oxo-9-hydroxyfarnesyl]-coumaran-3-one
Peak:m/z	Relative Intensity
52.35376	0.4
55.01881	0.5
55.05533	0.5
56.96579	0.4
57.03475	0.5
59.07969	0.4
65.03951	0.4
67.05516	1.1
69.03424	0.5
69.07079	0.9
71.05020	0.5
71.08651	0.6
71.52460	0.5
79.05473	1.9
80.13984	0.4
80.80939	0.4
81.07072	1.6
81.37049	0.5
83.05014	0.6
84.10313	0.4
85.11127	0.4
91.05476	7.5
91.06012	0.5
92.26162	0.4
93.07059	1.9
95.04987	1.1
95.08629	1.8
103.05457	0.5
104.06262	0.7
105.07031	3.1
106.04175	0.4
107.04928	5.1
107.05503	0.4
107.08593	0.6
108.05740	2.4
109.06520	0.6
109.10170	1.0
115.05458	1.3
115.87405	0.5
117.07054	1.8
119.04906	0.6
119.08573	2.0
121.06493	4.4
121.10150	0.8
123.04439	1.3
123.08025	0.8
124.05216	1.4
129.07021	0.7
131.04912	1.2
132.05688	2.6
133.06496	1.7
135.04407	2.5
135.08043	1.7
135.11673	0.5
136.05177	10.8
137.05957	1.4
138.06752	8.5
139.07591	2.1
143.08574	0.6
145.06483	1.0
145.10143	0.7
146.07234	0.6
147.08023	6.1
147.11661	0.6
148.08823	3.1
149.05978	3.4
149.09575	0.4
150.06755	2.5
151.07532	100.0
152.07912	2.3
159.08035	1.1
160.08804	0.6
161.06003	1.1
162.06734	0.9
163.07524	1.0
164.06963	0.3
164.08321	10.3
165.05486	2.0
165.09105	7.2
167.07002	1.3
172.08842	0.8
172.53044	0.5
173.09573	1.2
174.10391	1.0
175.07529	1.6
176.08324	0.6
177.05424	0.5
177.09128	2.0
179.10657	52.9
180.10979	1.3
181.08607	0.6
188.08278	1.0
188.11961	1.8
189.09048	1.9
190.09872	1.4
191.10701	2.0
193.08595	18.7
193.12204	1.3
194.08954	0.5
202.09894	0.8
203.10658	2.4
203.17862	0.5
204.11411	1.2
205.08548	1.7
205.12210	3.0
206.09384	0.6
207.10107	0.8
214.18004	0.9
215.10709	0.6
215.18346	0.9
217.12212	0.9
219.10439	0.5
219.13785	10.1
221.09766	0.6
221.11690	1.8
224.08397	0.6
233.11679	0.7
247.13295	3.0
255.10034	0.9
261.14798	1.4
282.12411	1.1
283.09503	1.3
285.10001	1.3
286.10181	0.5
298.11877	2.5
305.11661	0.4
311.13177	0.4
313.14279	2.3
320.13916	0.6
339.16061	0.6
340.16138	0.5
342.18015	0.7
343.15231	0.6
350.18457	0.6
351.15723	0.8
366.17972	1.2
381.16211	0.5
381.20578	8.9
382.20703	0.5
399.21265	44.8
400.21851	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2374
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
53.03930	11.7
55.01863	23.2
55.05497	14.0
57.03425	7.0
57.07060	6.6
59.04993	25.9
61.02907	11.7
67.05504	23.1
69.03426	34.6
69.07062	17.0
69.85787	17.0
71.04987	10.6
73.02914	4.6
79.05486	27.3
81.03407	25.6
81.07050	68.2
83.04946	6.6
83.08596	8.7
85.02898	94.8
85.06551	6.0
87.00822	15.7
87.04485	21.0
91.05467	19.9
93.07025	43.0
95.01309	3.9
95.04956	14.0
95.08596	49.0
97.02878	39.3
97.06522	16.2
97.10166	9.1
99.04431	12.3
99.08061	5.5
105.01837	14.7
105.07020	40.3
107.04974	9.8
107.08584	50.5
108.04450	5.1
109.02870	21.1
109.06539	5.9
109.10132	31.9
111.04426	4.0
111.08053	6.9
111.11746	4.2
115.07569	5.8
117.07012	7.3
119.08563	43.4
121.06450	5.7
121.10135	19.3
123.04362	6.5
123.08046	6.2
123.11697	10.8
125.09604	9.6
127.03912	45.8
127.11211	5.1
131.08546	28.0
133.10161	17.2
135.08022	6.4
135.11687	45.6
137.05945	7.9
137.13252	4.7
139.03835	3.4
139.11189	4.3
143.10672	9.9
145.04945	34.1
145.06093	4.6
145.06462	4.0
145.10106	100.0
147.04436	3.9
147.11639	8.1
149.09622	6.4
151.03947	4.2
151.07530	8.4
153.01839	6.3
157.10132	7.8
159.02887	13.1
159.08034	4.7
159.11687	64.7
161.05878	6.4
161.09666	6.3
161.13251	31.3
167.07037	11.2
169.12215	5.5
171.11681	3.3
173.05995	5.7
173.13254	4.8
175.07565	4.4
177.11234	3.5
177.12718	5.3
181.04890	6.1
181.08684	4.6
189.09251	3.3
189.16344	5.7
191.10684	4.5
191.18001	5.4
201.09132	3.5
201.12740	4.0
201.16402	38.0
210.35403	4.2
217.04887	5.1
219.17432	41.4
230.06787	3.4
231.04897	5.3
235.07355	5.0
237.18524	32.4
245.04395	5.1
247.07584	6.0
273.03940	7.4
277.08749	4.8
299.05609	4.6
301.03494	6.0
303.04892	6.1
313.03427	13.8
339.12494	3.9
355.08063	22.1
363.21289	4.6
368.15970	3.8
371.15057	4.2
381.09521	6.8
381.22672	5.0
399.10406	63.6
399.14352	8.4
399.24435	3.8
400.10992	9.0
411.03421	3.6
412.39703	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2894
Annotation	Strongylophorin 23
Peak:m/z	Relative Intensity
55.05502	7.2
57.07069	2.8
67.05483	9.6
69.07053	12.0
69.63087	10.6
69.63501	5.9
76.82589	2.4
81.07048	18.3
83.08604	9.0
90.98801	2.6
91.05476	4.5
93.07038	11.2
95.08595	19.6
97.10133	3.4
98.20840	3.7
105.07031	9.3
107.08587	13.6
109.10146	17.6
114.19228	2.5
119.08562	4.2
121.10149	8.0
123.11716	7.5
135.11708	4.3
137.13219	3.2
145.10117	3.8
147.11731	3.3
148.23796	2.4
151.07555	16.3
157.06487	3.6
161.05945	3.0
165.05482	5.0
165.09140	4.9
171.07956	5.7
173.09666	5.9
175.07611	3.0
176.08310	3.2
177.09093	5.9
177.16315	8.8
183.08029	5.4
186.10347	7.6
187.07475	3.3
188.08324	8.5
189.09071	5.8
191.10683	12.8
193.12207	8.8
195.49203	2.6
197.09544	3.0
198.10345	8.6
201.09021	6.8
201.16394	5.7
202.09900	13.0
203.10667	8.9
205.12195	8.3
214.09874	14.5
215.10651	10.1
216.11359	3.5
217.12213	100.0
218.12621	3.0
228.11385	4.5
229.12219	52.3
230.12544	3.6
231.13786	12.6
241.12164	2.7
243.13782	36.1
257.15457	6.3
261.14777	5.9
275.16345	2.6
381.27847	56.5
382.28040	3.7
393.41663	3.0
399.14529	2.9
399.28922	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.2
57.07069	2.8
67.05483	9.6
69.07053	12.0
69.63087	10.6
69.63501	5.9
76.82589	2.4
81.07048	18.3
83.08604	9.0
90.98801	2.6
91.05476	4.5
93.07038	11.2
95.08595	19.6
97.10133	3.4
98.20840	3.7
105.07031	9.3
107.08587	13.6
109.10146	17.6
114.19228	2.5
119.08562	4.2
121.10149	8.0
123.11716	7.5
135.11708	4.3
137.13219	3.2
145.10117	3.8
147.11731	3.3
148.23796	2.4
151.07555	16.3
157.06487	3.6
161.05945	3.0
165.05482	5.0
165.09140	4.9
171.07956	5.7
173.09666	5.9
175.07611	3.0
176.08310	3.2
177.09093	5.9
177.16315	8.8
183.08029	5.4
186.10347	7.6
187.07475	3.3
188.08324	8.5
189.09071	5.8
191.10683	12.8
193.12207	8.8
195.49203	2.6
197.09544	3.0
198.10345	8.6
201.09021	6.8
201.16394	5.7
202.09900	13.0
203.10667	8.9
205.12195	8.3
214.09874	14.5
215.10651	10.1
216.11359	3.5
217.12213	100.0
218.12621	3.0
228.11385	4.5
229.12219	52.3
230.12544	3.6
231.13786	12.6
241.12164	2.7
243.13782	36.1
257.15457	6.3
261.14777	5.9
275.16345	2.6
381.27847	56.5
382.28040	3.7
393.41663	3.0
399.14529	2.9
399.28922	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83503	0.3
53.33164	0.3
55.01854	0.7
56.96564	1.8
57.03420	1.4
61.02907	0.6
65.03928	0.4
67.05468	0.3
69.03413	4.1
69.51289	0.7
69.51700	1.9
70.06551	0.4
71.01339	0.5
71.04980	2.2
73.02898	1.6
79.05476	0.4
81.03403	0.9
83.04942	0.5
84.95984	0.6
85.02894	5.4
87.04420	0.4
89.03899	1.2
89.05990	0.7
91.05463	1.7
94.04043	0.8
95.04916	0.5
97.02884	3.3
98.97554	2.9
99.04449	0.7
103.36067	0.4
107.04937	1.1
109.02859	0.5
110.97558	0.5
111.04397	0.5
112.95409	0.3
115.03912	0.8
116.98611	2.2
117.03386	1.0
119.03504	1.2
119.04909	2.5
123.04404	0.7
127.03914	1.1
128.98598	1.2
129.05502	0.5
133.04962	1.2
134.99629	1.1
135.04378	2.1
136.06165	100.0
137.04617	0.7
137.05780	0.7
137.06642	0.8
143.00131	0.4
145.02829	1.1
145.06488	0.5
146.99643	0.8
147.04384	6.8
158.99719	0.6
161.01257	0.6
163.03896	8.9
164.04274	1.0
165.05443	0.6
170.99625	0.7
177.00778	0.7
181.04912	1.0
190.08643	0.8
192.35097	0.3
197.08086	1.4
198.08437	0.4
219.01779	1.6
221.04913	0.3
237.02765	4.6
242.00945	0.4
265.06064	0.7
268.10364	6.9
281.05536	0.4
285.99966	0.3
294.54224	0.4
303.09140	1.1
310.43555	0.3
340.09784	0.3
357.13000	0.5
376.11960	0.5
382.21332	0.4
400.14908	2.8
401.07355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01863	6.0
57.03433	15.5
57.86259	0.7
59.04994	2.0
61.02921	13.9
69.03424	29.2
69.54278	5.9
70.06573	0.7
71.01344	3.1
71.04977	2.2
71.08632	1.5
73.02914	73.8
73.13214	0.7
75.37555	0.7
75.69547	0.6
81.03402	6.2
85.02898	100.0
87.04470	4.6
87.04906	0.8
91.03947	4.6
91.05448	1.6
93.07024	1.1
95.04982	1.0
97.02887	48.4
99.04427	4.8
101.02357	0.9
103.03941	3.4
105.07005	0.8
107.04953	3.2
109.02876	8.3
111.04400	0.9
114.05499	0.7
115.03919	24.2
117.07014	0.9
121.02957	1.1
123.04373	1.6
127.03908	31.3
129.52644	0.8
133.04955	37.1
135.04488	0.9
137.05969	1.5
139.03885	1.0
145.04950	57.6
146.05301	1.0
147.04387	1.5
150.07585	2.3
151.07480	1.1
163.06003	28.6
165.05463	2.5
167.06982	1.1
177.05461	1.2
179.06987	0.8
181.04959	1.7
185.11719	1.2
193.04945	1.6
199.06033	1.2
203.06924	1.0
207.06517	2.2
217.07022	0.8
223.05994	5.1
238.10783	2.0
241.07114	5.5
249.07666	1.4
251.14879	3.5
259.08105	7.1
277.09149	1.4
285.09454	0.9
295.10117	2.4
383.15021	0.8
400.17456	1.7
401.18219	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	5.8
55.05504	4.2
55.93182	2.3
57.03427	16.9
59.05009	2.8
61.02927	11.7
67.05463	2.9
69.03423	56.1
71.04984	3.5
71.29161	3.7
71.29500	2.2
73.02911	37.7
74.06068	4.2
74.75581	2.1
81.03394	5.1
81.07051	2.3
84.04462	2.0
85.02898	100.0
86.03230	2.2
87.04469	23.6
89.66877	2.2
91.03934	5.8
91.05481	2.6
97.02879	49.1
99.04419	3.9
100.11266	3.5
101.11578	2.8
109.02851	7.1
111.04424	2.9
112.07585	2.2
115.03914	49.4
121.06447	2.4
123.04422	6.8
125.02400	2.3
127.03901	24.3
128.96230	2.7
131.04922	3.6
133.04953	62.1
135.04405	10.8
137.05913	2.3
145.04942	38.5
145.06265	3.3
147.04373	5.6
150.05475	3.6
150.07582	6.5
160.07573	2.0
161.06009	2.7
163.06009	23.1
167.07018	6.3
175.07516	2.1
176.07121	6.0
177.05486	5.8
181.04993	3.4
182.15445	2.0
183.15674	3.3
195.06506	10.7
203.07201	2.3
204.08659	5.7
209.37207	2.3
210.14862	3.3
211.15227	6.0
220.09683	5.9
221.08115	2.4
223.05971	2.4
238.10719	28.0
241.07083	3.4
281.48386	2.3
295.10364	3.3
315.08438	3.1
330.10977	6.2
338.21655	3.0
355.08093	4.4
383.14697	4.7
400.16235	9.8
401.17313	2.3
424.33356	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	401.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69927	2.3
56.96556	12.4
67.46208	2.8
71.51655	2.8
71.52060	3.9
98.97567	88.2
103.21548	2.6
116.98606	92.0
117.65907	2.6
134.99634	66.6
137.00150	2.4
144.19200	3.3
153.00677	11.9
177.00932	9.6
178.01149	3.0
179.00665	5.9
190.95322	3.1
192.98598	2.7
194.98668	3.1
216.98689	4.3
219.01978	11.2
221.01749	5.8
232.96370	4.4
234.96519	3.6
234.99870	10.8
236.99681	9.3
240.98917	4.1
250.97520	4.6
252.97319	3.0
255.01004	3.3
256.96564	7.3
257.50314	3.0
258.96796	4.5
258.99774	61.6
259.99927	6.2
260.99704	15.8
261.02985	16.6
261.99814	4.9
262.02975	3.3
263.00113	2.6
263.02869	8.1
264.99054	3.4
274.94504	3.3
274.97470	53.9
275.00290	4.2
275.97873	7.8
276.97574	14.2
277.00766	100.0
278.01132	10.8
279.00845	25.8
280.00961	6.1
283.00000	31.5
284.00015	8.1
284.99744	21.1
292.95432	4.7
292.98471	35.1
293.99106	4.2
294.98453	5.3
297.98871	3.2
300.97543	13.8
301.01001	72.5
302.01044	17.5
303.00824	52.2
304.00836	8.0
305.00766	6.1
316.98849	4.9
317.99045	4.6
318.98618	35.7
319.01996	4.9
319.98859	6.1
321.01874	6.0
324.02646	3.6
359.01651	13.8
371.97971	3.0
376.98404	17.6
377.03098	7.1
396.94406	3.3
401.01334	29.8
402.01581	4.6
418.97867	7.6
419.02774	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	401.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48716	1.0
53.03936	2.0
55.01846	2.4
67.05470	2.1
69.03411	1.4
69.07041	1.0
70.55610	3.4
78.04684	3.0
79.05061	1.5
79.05484	16.3
81.03397	1.7
81.07050	4.5
83.04959	1.2
85.02864	2.3
85.06554	1.4
91.05473	6.9
92.59808	1.0
93.07026	3.2
95.04935	4.3
95.08601	2.3
103.05465	2.4
105.07024	3.2
107.04946	34.6
107.08588	2.0
111.08015	1.5
115.05424	5.1
116.06216	2.9
117.07006	4.7
119.08512	1.5
120.95699	1.2
121.10124	1.5
122.03620	1.6
123.04399	5.3
123.08062	1.3
124.05190	8.2
125.05958	3.5
128.04176	1.3
128.06186	3.6
129.07005	4.8
131.04898	1.6
131.08545	9.6
132.05772	1.4
133.06508	2.2
135.04471	1.6
137.05943	3.2
141.06987	5.1
143.08475	1.3
143.27075	1.2
144.05655	6.8
145.06462	7.4
147.04362	1.8
151.07510	1.4
152.04649	3.4
153.05447	4.3
154.08627	2.7
156.05676	12.9
157.06448	4.1
158.07213	1.9
159.08041	16.1
161.05936	2.6
163.03915	4.0
165.06940	1.5
167.07030	100.0
168.07333	2.4
169.06386	2.9
169.07690	2.0
172.05226	1.5
173.05898	2.9
178.07643	1.2
179.07045	3.5
181.04912	3.4
181.06372	1.5
181.08632	2.8
184.05183	3.5
186.06725	4.8
187.07561	10.5
189.09151	1.3
190.06245	2.2
190.07758	2.4
191.07014	3.0
191.08571	2.4
193.06461	1.5
193.08598	1.7
195.06506	2.9
195.08142	2.0
196.05278	1.6
197.05923	1.2
202.06203	6.1
202.07819	3.0
203.08601	2.8
204.07750	2.3
205.06653	2.2
205.08528	15.2
205.10291	1.7
206.07237	2.2
207.06488	4.8
207.08212	1.6
207.10104	1.7
208.05167	22.8
208.08841	3.1
209.05888	1.7
210.06764	4.1
211.07529	2.7
215.06926	2.1
215.08690	2.2
217.08562	36.2
218.07231	4.6
218.09061	1.3
219.08043	11.5
219.10143	7.2
220.08728	5.9
221.05998	8.0
221.09631	2.4
223.11163	1.6
226.06108	1.7
229.08476	6.4
230.07204	2.4
231.08046	8.5
231.10179	2.7
232.08978	2.7
233.05954	1.6
233.09566	5.3
234.06715	3.0
234.10197	2.5
235.07492	3.6
235.11169	2.2
236.04683	8.7
236.08298	3.1
237.09161	1.9
238.06236	3.0
239.07053	4.3
240.04121	2.8
245.09547	3.8
246.06631	1.6
247.07457	13.3
247.09683	21.9
248.08310	13.1
249.05450	3.3
249.09056	3.4
250.06273	3.2
250.09831	1.3
251.07079	2.8
251.10670	3.4
254.05664	9.7
255.06419	2.7
256.07333	2.7
257.04443	3.1
259.07532	3.5
260.08304	2.7
261.09094	4.8
262.06223	1.6
262.09793	4.3
263.07040	4.2
263.10645	12.0
264.07816	8.1
265.08612	6.9
267.06458	9.3
268.03714	2.7
269.08032	21.1
271.06195	1.4
271.09601	8.1
272.06824	5.0
275.07010	5.8
276.07809	9.1
277.08621	5.6
278.05698	2.2
278.08813	1.4
279.06836	1.9
279.09988	8.2
280.07245	1.4
281.07980	2.0
282.05289	3.7
282.08844	17.3
285.07574	2.9
287.09451	1.5
288.08075	1.4
289.08493	2.3
290.09363	3.7
291.06839	2.2
291.10028	16.1
292.07175	4.1
292.10474	1.9
293.08130	9.1
293.11212	2.1
294.08783	2.0
295.09641	1.9
296.10336	2.6
299.09152	5.1
300.06229	2.3
301.06961	3.8
304.07330	2.2
305.08044	4.3
305.11542	1.9
307.09604	12.3
308.10223	7.9
309.07550	1.9
310.08411	8.0
311.12692	4.0
315.08588	74.2
316.09195	3.9
318.08762	2.1
319.09628	6.9
320.10269	3.0
321.07520	3.9
321.10898	2.4
322.08444	2.9
322.11929	2.1
323.09128	2.0
323.12686	16.7
324.09882	2.2
325.10632	2.5
328.09418	6.3
330.10947	85.0
331.11670	14.4
335.09088	1.3
336.09814	5.9
337.10767	7.2
338.07675	1.8
339.12347	8.4
340.12674	1.8
343.11737	23.3
350.11487	1.5
351.12244	26.1
352.12808	3.7
353.10159	6.4
356.12433	3.8
368.12479	7.3
369.13321	5.2
371.14905	5.6
383.14847	63.7
384.15192	2.4
401.16031	18.9
401.21213	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Gomisin R
Peak:m/z	Relative Intensity
59.64709	2.2
60.28383	2.0
67.05449	2.4
69.03412	4.1
69.07046	4.0
70.81863	6.3
71.04989	2.5
79.05495	17.2
81.07044	6.8
84.99299	2.0
85.02867	4.4
91.05467	7.8
93.07025	5.7
95.04967	5.6
95.08594	6.4
97.02901	3.3
103.05447	3.5
105.07046	4.5
107.04941	36.8
109.06520	4.6
115.05423	4.3
116.06205	2.2
117.06992	5.4
119.14719	2.6
121.02826	3.3
121.10059	2.3
123.04391	6.0
123.08115	2.3
124.05200	8.2
125.05992	3.6
128.06255	2.6
129.06978	7.5
131.04948	3.2
131.08540	10.1
133.02837	2.3
137.05968	3.2
141.06995	4.2
144.05696	6.3
145.06477	6.5
149.05977	3.1
149.09673	3.6
152.04668	4.1
156.05708	10.2
157.06512	5.5
158.07188	3.4
159.08055	16.7
161.05968	3.3
163.03983	4.9
167.07028	100.0
168.07243	2.9
173.06000	5.7
177.05409	2.2
179.07054	2.3
181.04973	4.0
183.06528	2.6
184.05194	2.9
186.06699	3.8
187.07541	8.9
190.07761	4.3
191.06970	5.3
191.08601	2.9
193.06508	3.6
193.08405	3.4
194.07178	3.4
195.06564	3.7
198.06732	2.3
202.06186	5.1
202.07846	3.9
203.08585	4.2
205.06816	3.0
205.08543	15.6
207.06445	4.9
207.08228	4.8
208.05170	23.8
209.09677	3.5
210.06656	3.0
211.07552	2.5
215.08594	4.1
217.06596	3.8
217.08583	25.9
218.07289	6.1
219.07997	16.2
219.10175	11.1
220.08809	5.3
221.06036	12.5
223.07573	2.9
229.08611	4.8
231.08008	8.5
231.10129	3.2
232.08717	2.9
233.09695	9.1
234.06729	4.8
235.07466	4.6
235.11272	4.2
236.04660	9.4
236.08316	7.6
237.09117	4.6
239.06847	3.9
239.20172	2.9
245.09636	4.2
246.06807	2.8
247.07478	16.8
247.09723	11.7
248.08266	13.9
249.05368	4.4
249.09033	8.4
250.06201	4.9
251.06841	3.6
251.10687	3.8
252.07782	3.6
253.08574	3.7
254.05656	6.6
254.09363	4.9
255.06441	3.4
259.07504	3.9
260.08322	3.0
261.09055	6.3
262.09848	4.9
263.07004	8.5
263.10751	10.3
264.04346	2.5
264.07809	12.9
265.08578	11.3
266.05545	2.5
267.06522	10.0
269.08109	24.4
271.09628	7.8
272.06717	3.3
273.08972	2.7
274.06335	2.2
275.07019	6.4
276.07681	14.1
277.08548	7.3
278.05524	3.6
279.06747	4.7
279.10132	17.1
280.10855	3.4
281.08252	3.2
282.08856	22.1
283.06131	2.6
283.09348	3.4
287.09219	3.9
289.08539	3.3
290.09381	4.3
291.10065	17.5
292.07254	6.2
293.08167	12.6
294.08630	2.8
295.09387	5.1
296.10287	2.5
297.07510	4.4
298.08325	2.9
299.09195	20.2
301.06964	4.2
305.08130	5.4
307.09634	17.6
308.10370	11.7
309.07904	3.9
309.11050	4.5
310.08466	11.1
311.09106	6.0
311.12769	4.2
312.09720	4.0
313.10709	10.7
315.08603	66.4
316.09146	5.2
319.09543	11.0
320.10178	2.7
321.07397	5.7
321.11023	4.7
322.08313	3.0
323.09274	4.3
323.12735	19.4
324.09741	3.6
325.10709	7.2
328.09360	7.6
330.10974	74.7
331.11673	11.8
333.10922	2.9
336.09961	5.4
337.10657	8.2
338.11282	2.5
339.12146	14.7
341.13760	4.5
343.11716	35.3
351.12296	35.0
352.12921	6.5
353.10010	8.0
353.13940	3.1
356.12451	3.7
358.14114	39.9
359.14481	2.6
368.12662	12.5
369.13358	19.6
371.14832	6.6
373.16516	3.1
383.14877	84.0
384.15359	3.1
401.16013	49.8
401.20984	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	401.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.8
59.27695	0.4
69.03416	1.1
69.26164	1.8
69.26587	2.9
79.05482	1.0
81.03390	0.6
81.07034	1.0
83.04947	0.6
85.02890	1.5
86.09741	0.4
90.35651	0.4
91.05469	1.0
93.07014	0.6
95.04984	0.8
97.02898	0.7
97.06546	0.6
101.06025	0.6
105.07002	0.8
107.04925	1.3
107.08577	0.5
109.02882	0.5
119.04951	0.5
119.08572	0.5
121.06486	0.4
123.04412	3.3
125.05964	0.4
127.03924	1.1
128.06161	0.5
131.04939	0.5
131.08582	0.6
133.10162	0.5
135.04514	0.7
137.05962	0.7
137.09523	0.5
139.03831	0.5
147.04353	0.6
149.05991	0.5
156.05637	0.4
159.07985	0.6
163.03900	1.2
167.07053	3.9
169.33966	0.4
181.05029	0.6
191.07001	0.5
203.03354	1.3
217.04950	1.1
217.08630	1.3
219.08098	0.5
219.10077	0.6
231.02863	0.5
236.08199	0.5
239.12572	2.1
239.16388	0.5
245.04398	0.6
247.07448	0.7
247.09738	1.2
254.78455	0.4
266.60300	0.5
269.08020	0.8
271.05603	0.4
271.09744	0.5
280.77017	0.4
315.08664	2.5
330.10751	2.6
351.12189	0.9
353.10147	0.7
355.08035	5.2
368.12769	0.6
369.48224	0.5
383.14792	4.1
401.17776	100.0
402.18167	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.2
53.46996	4.7
55.01861	19.9
55.05504	26.3
57.03424	12.7
57.07063	14.1
59.04988	12.5
61.02912	15.7
65.03927	6.6
67.05497	31.2
67.38511	4.9
68.99771	23.6
69.03417	62.5
69.07057	62.0
69.98916	12.0
69.99313	11.0
71.01328	5.9
71.04985	52.5
72.12735	4.7
73.02902	7.4
73.06570	6.3
79.05474	38.5
81.03407	61.4
81.07050	94.1
83.04980	13.0
83.08600	22.8
85.02898	79.1
87.00820	41.5
91.05461	45.7
93.07031	61.5
95.04977	30.1
95.08589	44.4
97.02873	52.8
97.06538	10.2
97.10176	5.2
98.97576	4.9
99.04427	15.7
99.08062	10.5
103.03918	21.2
103.05441	11.9
105.01856	18.7
105.07021	69.7
107.04934	35.0
107.08581	65.8
109.02885	32.5
109.06505	100.0
109.10156	71.8
111.04425	13.2
111.08022	5.4
115.03915	26.9
115.05456	11.9
117.07005	23.4
119.08572	67.6
121.06483	49.8
121.10133	30.5
123.04432	29.7
123.08048	30.9
123.11700	23.4
127.03910	34.9
127.11136	9.7
128.06206	14.4
129.01808	18.0
129.06946	14.2
130.07785	9.3
131.04951	13.3
131.08554	35.9
133.06493	11.3
133.10100	21.6
135.08023	19.7
135.11729	33.9
137.05968	22.0
137.09596	32.9
137.13232	13.2
139.07547	5.5
139.11131	6.9
141.06964	10.8
143.08545	16.6
145.06473	7.9
145.10097	36.8
147.08041	22.4
147.11664	17.3
149.05945	7.3
149.09596	15.5
149.13303	6.0
151.03902	7.8
151.07530	10.9
151.11142	24.5
153.12747	23.4
155.07164	6.8
155.08527	17.3
157.06406	7.7
157.10020	5.9
158.07214	8.8
159.02870	15.3
159.08022	22.9
159.11702	19.9
160.05206	5.3
161.09706	8.0
161.13266	8.7
163.03828	7.4
163.07553	19.8
163.11186	20.2
165.12753	17.3
167.07031	59.4
168.92810	5.8
171.08051	17.8
171.11652	7.0
173.06084	5.5
173.09674	34.3
173.13260	10.9
175.07530	17.3
175.11189	16.5
177.12737	33.4
179.14275	6.2
181.04947	12.3
181.08472	6.8
181.12215	8.8
187.07521	8.4
187.11093	8.6
189.03889	7.6
189.12645	6.9
191.06955	10.3
191.10614	18.3
193.12183	10.6
195.13820	39.2
201.03899	15.2
201.12686	13.9
202.06181	8.5
205.08566	10.9
207.14014	8.8
215.14340	12.7
217.08582	24.0
218.09387	6.3
218.11821	5.2
219.10158	15.3
219.13805	15.7
225.12665	6.7
231.04965	9.9
231.07927	8.8
231.10011	6.9
233.15497	10.8
237.14909	12.3
243.13751	37.3
247.07529	12.5
248.08362	7.3
251.09117	5.8
254.05750	6.8
261.14832	58.7
263.10681	7.6
264.07864	7.0
269.08087	7.9
269.31314	6.2
277.08481	10.6
279.10214	8.0
279.15933	7.6
282.08936	6.9
291.09903	12.0
306.24500	5.3
307.09525	8.8
309.87698	5.4
310.08435	7.1
315.08502	25.6
323.12769	10.5
330.10931	33.2
336.10037	7.3
337.10587	5.5
339.12070	7.2
343.11752	12.3
347.14938	15.4
351.12164	15.7
365.15820	12.0
368.12128	10.2
383.14688	36.2
401.15808	31.1
401.26453	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	401.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45324	0.7
55.05489	1.0
57.07076	1.0
65.03922	1.0
66.07746	0.8
67.05482	2.4
69.07056	2.0
70.00690	2.7
70.01115	1.5
79.05465	2.2
81.07043	3.3
83.08585	1.2
84.32740	0.7
85.06528	3.1
91.05473	22.5
93.07037	2.2
95.04938	1.6
95.08611	4.3
98.21392	1.1
105.07012	2.4
107.04959	1.5
107.08573	3.0
109.10123	2.5
117.07031	1.8
117.61251	0.7
119.04930	17.6
119.08569	2.8
121.10143	2.3
123.11733	1.3
131.08522	1.5
133.10112	2.1
135.11668	1.3
136.05176	1.2
137.05951	7.4
145.06480	2.3
145.51814	0.8
151.07527	100.0
152.07820	2.1
157.06329	0.7
159.07980	1.4
159.11653	1.7
160.04977	0.8
161.13261	0.9
165.05440	0.9
175.14731	1.1
177.09117	5.2
177.12689	1.0
181.08633	1.2
189.09093	2.7
191.10699	1.1
199.07829	0.9
201.09152	0.8
208.24500	0.7
215.10593	1.1
219.10159	2.0
233.11653	1.0
287.49646	0.7
333.77069	0.8
356.96429	0.8
397.72113	1.1
401.27271	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	2.3
61.02903	3.1
62.43704	1.4
69.03432	8.4
70.06585	1.4
71.04969	1.6
71.51808	1.5
71.52165	1.8
72.08144	1.7
73.02914	3.3
74.06052	4.8
81.03384	4.1
83.04977	2.3
84.04477	1.7
85.02899	19.1
85.42757	1.4
85.85229	1.4
86.06048	2.8
87.04436	2.7
91.05459	3.1
93.06995	1.4
95.05000	1.5
95.08601	1.4
97.02877	8.9
99.04407	1.5
102.18294	1.6
103.05444	2.1
105.07033	2.8
106.02885	2.6
107.04900	2.2
109.02850	4.4
112.07561	1.6
113.02395	1.6
119.04906	3.4
122.05953	2.1
123.04369	7.9
124.03918	4.0
127.03867	3.9
128.43533	1.7
131.04918	2.9
133.06436	1.6
136.07495	2.2
137.05956	38.0
139.03899	1.7
140.07028	3.7
145.04932	3.6
145.06433	5.2
146.05980	1.9
147.04379	7.1
149.05905	3.5
151.07521	3.5
161.05957	5.4
162.05342	1.5
162.09123	1.4
163.03917	2.2
163.07526	4.8
164.07040	3.5
165.01773	2.2
167.07059	3.1
175.07570	1.7
177.09100	2.3
177.71025	1.5
178.08612	16.2
179.07094	7.4
180.06665	1.5
180.10150	5.2
181.04964	1.8
181.08476	1.4
186.07613	2.1
190.08574	2.2
191.03339	3.5
192.10184	5.1
204.08621	6.5
204.10277	1.6
205.08698	2.0
222.11198	8.1
222.14809	1.6
223.09641	8.0
232.64046	1.5
240.12267	100.0
241.12601	3.1
250.07260	1.4
385.14807	2.1
402.17645	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
54.29893	0.3
55.01860	1.2
57.03432	7.5
59.01347	0.9
61.02903	0.5
63.26983	0.4
68.99781	1.0
69.03425	10.5
69.43305	3.4
71.04974	1.8
73.02909	0.9
79.05483	1.0
81.03410	9.5
81.07021	0.5
85.02899	16.0
87.00817	1.7
95.95782	0.3
97.02884	14.4
99.04442	5.3
101.02369	37.0
103.05457	0.5
105.07014	4.1
107.04959	0.5
108.04462	1.5
109.02866	15.8
115.03928	0.5
115.99799	0.4
119.03407	100.0
120.03765	0.7
127.03905	22.7
129.01825	0.7
131.03383	3.1
145.04958	8.7
145.06064	0.5
153.36168	0.4
156.10233	1.7
161.04478	1.7
167.07019	1.8
168.07355	0.7
173.04451	7.3
173.05847	0.6
181.04948	1.3
185.04443	0.5
197.04471	1.1
203.05539	0.6
227.05400	1.9
245.06535	10.2
262.09384	0.5
263.07605	3.7
267.53262	0.5
281.73288	0.4
315.08444	0.6
316.09000	1.0
331.11365	1.0
352.12634	0.6
362.93307	0.6
384.15323	0.9
402.16409	1.1
402.21603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33037	13.8
56.41808	14.4
57.07065	15.7
69.52353	100.0
69.52766	34.1
147.46745	15.2
155.29570	15.6
162.30428	17.8
179.10686	18.9
402.38901	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	403.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.5
55.01872	4.8
55.05495	9.2
65.03938	6.5
67.05490	19.2
71.04993	3.5
79.05482	14.6
81.03400	5.8
81.07043	8.5
83.04967	35.4
91.05482	19.2
93.07023	6.5
94.04207	3.5
95.01319	10.8
95.04960	37.5
95.08594	4.3
97.06538	4.3
103.05470	7.6
105.07008	16.9
107.04948	8.9
108.05742	10.2
109.02841	4.2
109.06482	9.2
110.03660	29.7
115.05458	9.4
116.06214	3.3
117.07017	15.6
119.08576	4.2
121.06503	23.8
123.04418	13.9
123.32455	3.3
124.05208	14.2
125.05984	54.6
129.06978	5.8
131.04892	21.5
132.05690	6.7
133.06500	14.0
133.10156	5.3
135.04396	8.3
137.05945	7.3
138.06694	5.3
139.03905	8.4
139.07507	25.9
141.05434	8.7
145.06483	14.1
146.07248	60.0
147.04349	17.5
147.08058	15.4
149.05989	6.2
150.06755	11.9
151.07542	63.0
151.08673	6.2
152.04688	5.1
153.05453	89.2
154.06102	5.5
155.07001	11.2
159.08049	5.8
160.05220	4.7
160.08856	8.1
161.05925	19.2
161.09586	4.4
162.06735	27.3
164.08318	5.9
165.05479	15.5
165.09126	25.5
167.07034	36.5
169.04955	9.5
173.05991	7.0
174.06766	6.8
175.07474	17.6
176.04677	7.5
176.08372	7.5
177.05515	8.0
177.09094	99.5
178.06239	9.7
179.07074	5.0
179.10674	13.8
181.04883	7.8
181.08578	5.6
187.07509	4.1
188.08307	10.1
189.05458	7.2
189.09088	14.4
190.06346	4.9
190.09529	3.8
191.07007	77.6
191.10658	6.4
192.07814	8.2
193.08545	19.8
194.09283	4.0
203.06978	11.9
203.10622	6.2
204.07896	16.7
205.08578	12.0
207.10164	14.9
211.86125	4.0
219.10156	8.3
221.08057	4.9
222.08760	3.5
231.06544	3.6
235.09543	8.5
247.09602	19.6
249.11250	3.9
265.10669	100.0
281.76743	3.9
303.12247	9.6
403.17395	5.2
416.13998	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.3
58.52731	0.6
65.03940	0.7
67.05496	1.5
69.07056	1.0
70.81564	1.9
71.04996	0.8
79.05495	4.9
81.03406	0.5
81.07022	2.0
89.47241	0.6
91.05472	4.3
93.07039	1.1
95.04948	1.6
95.08583	1.6
97.10157	0.6
103.05446	4.0
105.07029	10.0
107.04955	4.1
107.08572	1.7
108.05759	0.8
109.06518	1.2
109.10154	1.3
110.03717	0.8
115.05408	0.8
118.04148	1.7
119.04949	1.6
119.08583	0.9
120.05712	1.7
121.06513	5.6
121.10148	1.0
122.07271	0.8
123.04378	0.8
123.08083	1.1
125.05969	1.5
131.04941	2.0
131.08534	1.1
133.02893	0.8
133.06479	7.1
133.10089	0.6
134.07274	5.5
135.04382	3.5
135.08073	3.0
136.05179	2.0
137.05991	1.1
137.09583	0.7
138.06738	0.8
139.07518	1.1
145.06427	1.0
146.07274	0.8
147.04404	1.0
148.05220	1.5
149.05974	2.5
150.06746	19.5
151.07530	34.6
152.07881	0.9
153.05489	2.9
159.04332	0.9
159.11787	0.6
161.05908	0.8
161.13351	0.7
162.06787	4.2
163.07506	1.5
165.05469	5.3
165.09102	100.0
166.09392	3.2
167.03317	0.7
167.07022	6.3
168.04028	0.6
177.09087	1.8
179.07033	9.3
180.07561	0.7
181.04965	4.8
181.08574	1.8
189.09048	1.6
191.07011	1.5
193.08597	15.5
194.09244	1.0
194.37990	0.6
195.08003	1.1
203.10669	0.7
207.06491	0.9
209.04485	0.8
209.09650	1.2
210.10393	0.7
211.07564	0.8
227.10674	0.9
238.09746	0.8
241.12296	1.6
254.09291	0.6
255.10164	2.1
265.08716	0.8
267.10126	1.0
269.11673	1.3
270.12488	4.8
271.09656	1.4
282.12408	1.0
283.09668	1.1
286.12030	2.3
293.11557	0.6
295.09494	0.7
297.11093	1.0
298.11951	1.6
301.14319	32.4
302.14661	2.1
309.11041	0.7
310.12051	0.8
312.13525	2.1
313.14319	2.0
327.15952	1.1
339.15732	0.7
355.15308	0.9
367.15381	1.0
373.12537	1.5
373.16660	1.2
403.13626	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	403.232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01835	5.1
55.05485	6.8
65.03893	5.4
67.05489	12.8
68.41645	3.5
69.03417	7.7
69.07046	9.3
71.04983	5.0
71.34943	7.7
71.35296	3.4
79.05485	12.3
81.03380	4.1
81.07043	23.7
83.04966	13.2
83.08605	5.3
84.84017	4.0
85.02895	9.9
91.05452	16.3
93.06987	20.0
95.04945	8.3
95.08582	26.0
97.06521	10.9
101.06004	14.7
105.06989	22.2
107.04929	6.6
107.08587	10.3
109.06544	6.7
109.10145	16.9
117.06958	4.7
119.08563	17.1
120.93750	5.3
121.06499	5.3
121.10174	9.1
122.12658	3.9
123.04406	5.7
123.11691	13.1
125.09640	4.8
131.08540	12.3
133.10114	13.0
137.05975	8.2
140.33983	3.8
145.10077	10.9
145.32895	3.7
147.11676	12.2
149.13187	7.4
151.03885	4.8
151.11142	8.7
153.05431	9.6
159.11659	5.5
161.13275	5.2
163.11157	7.0
165.05455	5.0
167.07030	14.7
173.54164	3.4
175.14815	8.2
177.05524	8.0
177.12683	4.4
181.04916	10.3
187.14767	11.5
191.06998	6.5
193.15860	7.8
203.06906	4.5
205.15790	5.0
223.16891	100.0
223.18881	3.6
241.17996	29.6
252.08426	11.6
270.09460	6.9
298.09000	7.1
313.10181	4.4
316.09872	5.0
351.35391	4.0
355.11694	5.0
385.12225	13.6
403.13205	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	403.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79982	2.8
55.01880	3.1
55.05506	5.2
57.07038	3.7
61.67193	3.0
67.05493	12.6
68.71597	3.4
69.03428	7.9
69.07062	4.5
69.92329	18.5
77.52861	2.9
79.05500	16.1
81.03414	4.3
81.07066	25.0
82.54749	3.2
83.04964	12.2
83.08596	4.2
85.02885	12.2
85.06535	3.7
91.05464	11.0
93.07033	14.8
95.04954	7.3
95.08602	23.4
98.67952	3.5
101.06012	29.8
105.07044	19.5
107.04909	6.5
107.08590	14.9
109.06564	3.8
109.10149	16.5
111.08019	3.2
112.10637	2.8
115.07545	7.2
117.07000	7.0
119.08566	17.0
121.06515	3.7
121.10111	14.4
123.11698	15.1
125.09575	3.3
131.04929	4.8
131.08572	14.0
133.10115	11.3
135.11642	3.9
137.06023	6.1
141.09084	3.8
145.10130	18.0
147.11699	11.4
149.13266	4.1
151.03821	5.7
151.07507	4.6
151.11183	4.8
153.05463	6.7
160.05208	3.3
161.13289	3.8
165.05466	5.3
167.07028	10.8
175.14880	6.9
181.04948	12.6
185.89006	3.4
187.14796	7.4
193.15894	5.3
205.15866	8.1
223.16924	100.0
241.17993	40.2
341.53046	3.7
403.13629	7.1
419.92642	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	404.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00196	6.5
68.39346	6.4
68.98402	6.7
70.42670	20.6
70.43098	11.0
86.19343	7.3
91.05478	8.6
107.04963	7.6
116.35779	6.1
136.05190	15.3
149.64789	6.6
151.07515	28.7
165.09108	8.6
182.05161	7.7
205.08545	16.0
286.11969	22.0
300.13400	7.8
320.32852	6.7
343.15356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.4
57.07101	1.9
59.05009	4.0
65.03912	2.4
67.05484	2.5
69.03425	10.8
70.06570	3.3
71.04993	2.2
71.32365	3.7
78.04709	4.1
79.05473	8.4
81.03400	6.2
81.07048	2.7
85.02897	16.7
85.06532	2.5
87.00784	3.3
87.04459	3.5
88.77876	1.8
90.21341	2.0
91.05474	9.4
93.07031	4.5
95.04980	2.7
95.08607	3.1
97.02888	9.1
99.04459	6.2
103.05464	8.2
103.30196	2.1
105.01862	5.3
105.05489	2.9
105.07024	21.1
107.04946	11.2
107.08565	5.4
109.02878	5.3
109.06525	6.2
109.10156	2.4
110.06011	2.6
110.49958	1.9
111.04385	2.3
112.07558	3.8
115.05464	4.9
117.06942	2.8
119.08600	10.0
121.06485	9.6
121.10157	5.3
122.03624	2.6
123.04387	10.3
123.08054	2.6
123.11721	2.7
124.05174	4.3
124.07560	5.7
125.05963	5.0
127.03896	9.6
129.06973	2.3
131.04922	8.9
133.06479	8.0
133.10074	2.0
135.08043	2.2
137.05972	44.8
137.09601	3.8
139.03879	2.9
140.07037	2.8
141.06952	2.6
143.03435	2.5
145.04869	2.7
145.06487	3.3
145.10127	4.4
147.04420	3.6
147.11653	19.3
149.09615	6.0
151.03912	7.3
151.07513	10.3
152.04747	2.6
158.08122	6.9
161.05948	14.0
163.07492	16.8
166.08673	2.4
167.07024	100.0
175.07529	3.9
177.09087	3.8
179.07040	5.2
181.04916	4.3
181.08640	5.3
187.07536	4.0
189.09113	4.9
189.12744	12.7
193.08571	19.8
203.07080	2.4
206.14644	2.3
207.10506	2.0
207.13785	25.6
242.14046	2.9
249.09319	2.5
295.09546	2.5
309.11063	2.8
341.10141	2.5
341.14011	2.0
345.13187	6.5
355.15277	2.7
360.98486	2.0
369.13293	4.7
387.14413	3.8
404.15451	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67745	4.0
55.05497	7.9
58.06598	4.5
67.05492	7.2
69.03426	12.1
69.07047	7.3
70.06595	10.0
71.04990	6.5
71.08024	6.0
71.08367	9.0
78.19774	3.8
79.05495	10.3
81.03422	9.3
81.07047	12.9
83.04996	5.1
85.02893	43.9
85.06523	5.3
91.05470	15.5
93.07026	11.0
95.04969	12.4
95.08605	6.1
97.02901	12.4
98.97585	7.0
105.07031	16.1
107.04941	6.3
107.08584	18.3
109.02859	10.8
109.10145	7.1
111.04456	5.0
112.07618	6.0
119.08555	20.9
121.06478	8.4
121.10132	20.8
123.04410	5.7
123.08054	8.1
123.11684	14.9
124.07619	15.2
125.05991	6.3
127.03922	12.4
131.08510	11.0
133.10112	6.9
135.08072	19.5
135.11624	5.8
137.05952	8.8
137.09547	7.8
138.09151	10.0
141.05342	4.6
143.08556	7.0
145.04947	6.7
145.10150	7.1
147.04388	5.5
147.08051	18.5
147.11682	20.3
149.09628	36.3
151.03865	10.0
151.07593	7.9
156.09331	18.7
158.02715	5.3
161.13231	8.1
165.09100	51.7
166.08603	23.8
167.07033	18.3
167.10678	21.0
171.11681	26.7
189.12724	25.8
193.08609	42.6
207.06540	7.7
207.13809	100.0
208.14151	6.7
223.45241	4.3
225.11253	19.3
225.80507	4.8
242.05659	5.0
242.13879	7.8
242.17429	6.8
243.06764	9.5
270.59393	4.4
405.17249	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01838	4.6
55.05495	10.3
56.04996	5.2
59.59666	4.9
62.95993	4.2
67.05487	8.2
69.03417	21.0
69.07069	6.4
69.31905	35.8
69.32316	6.9
73.02892	4.8
79.05473	14.1
81.03410	20.3
81.07036	8.9
83.04992	6.2
85.02893	34.4
85.06539	6.3
87.00803	11.0
87.04471	6.2
91.05468	17.9
93.07021	12.6
95.04949	9.0
95.08604	12.5
97.02882	13.3
98.06034	4.4
99.04435	8.3
103.05480	9.1
105.01855	16.9
105.07021	57.9
107.04932	14.8
107.08570	11.3
109.02854	12.1
109.06504	14.5
109.10174	7.3
112.07551	5.0
117.07060	4.5
119.08570	64.8
121.02837	4.8
121.06487	16.6
121.10149	21.7
122.03652	5.4
123.04429	12.3
123.08041	13.2
123.11619	5.8
124.07609	14.4
125.05980	5.7
127.03878	21.5
131.04860	10.3
131.08527	10.2
133.06479	13.3
137.05957	75.1
137.09637	13.2
139.03795	5.2
140.07071	6.4
145.04933	7.7
145.06451	6.2
145.10101	13.5
147.04349	5.7
147.07980	6.3
147.11673	81.2
149.05821	5.4
149.09599	19.2
151.03906	13.6
151.07545	15.8
158.08083	5.7
161.05945	6.5
161.13211	6.7
163.07613	10.1
167.07007	53.8
171.11729	5.2
175.07471	6.3
181.05014	9.1
187.07506	8.6
189.09081	4.9
189.12718	48.7
193.08588	20.5
207.13776	100.0
208.14127	5.7
229.08638	6.4
297.11072	4.4
307.09692	4.6
309.11105	9.4
325.10825	6.1
329.13803	5.4
337.10596	6.4
341.10132	6.8
345.13361	14.6
405.15332	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.1
61.02917	2.2
69.03419	3.8
69.07037	1.1
69.62761	7.7
70.06575	3.9
78.73088	1.1
78.82958	1.2
79.05490	1.4
81.03402	1.4
81.07050	3.7
83.04960	1.5
85.02898	20.9
91.05471	15.8
93.07080	1.8
95.04976	1.9
95.08630	1.6
97.02876	3.0
105.07034	1.7
109.02930	1.4
109.10165	2.2
112.07601	2.4
113.85300	1.2
118.04118	1.2
119.04931	20.3
119.08640	1.6
120.05243	1.1
121.10119	2.2
123.04417	2.4
123.11692	17.4
124.07598	2.0
125.05952	1.5
127.03847	1.5
129.07027	1.1
140.07085	1.2
142.08586	1.6
145.04938	1.4
147.04384	20.2
147.11702	1.7
149.02361	1.3
149.09677	1.7
163.03841	1.7
164.04721	1.8
167.07082	1.7
175.03886	38.9
179.07066	2.6
183.06355	1.3
189.12796	3.5
192.04160	10.4
207.06505	100.0
207.13789	11.8
208.06883	4.4
224.03755	2.0
224.13078	1.2
225.07553	30.8
225.14851	3.1
226.07866	1.9
229.97086	1.1
242.06726	2.1
243.06816	1.5
251.64711	1.5
252.08739	5.3
291.08878	1.2
405.17944	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.01854	2.7
57.03429	9.7
61.02922	5.2
67.05479	1.2
68.99792	2.4
69.03082	1.4
69.03427	17.1
70.06557	1.0
71.04982	2.8
71.52461	1.1
73.02896	2.7
75.04453	1.2
79.05476	2.4
81.03414	12.2
81.07056	2.0
83.04968	3.2
84.04495	0.8
85.02899	52.1
87.04443	1.8
90.19315	0.7
91.03932	3.1
91.05472	1.7
93.07034	1.2
95.04951	3.5
97.02889	17.3
99.04441	4.5
103.03919	2.7
103.05435	1.1
105.06973	0.9
107.04901	1.2
107.08574	1.0
109.02136	1.6
109.02867	19.7
109.06517	0.8
111.00782	5.9
111.04417	1.8
115.03902	1.2
116.98597	0.9
117.05479	2.3
119.04955	1.1
121.06504	1.1
123.04420	5.7
125.05986	1.1
126.03123	12.1
127.03905	19.0
129.05424	2.1
137.05940	3.0
141.05449	42.3
142.05879	0.9
145.04953	13.5
147.04361	2.1
149.09532	0.8
151.03860	1.0
151.07596	1.6
154.02548	1.2
155.03433	1.3
155.06984	1.4
159.06448	1.0
163.05995	1.0
163.11104	1.2
164.06870	0.8
165.05495	1.4
167.06976	3.9
169.04948	100.0
170.05351	1.7
172.00810	0.8
180.53745	0.7
183.06509	3.0
191.06949	1.0
207.06427	1.2
208.06827	2.1
211.06010	3.6
223.07625	0.9
227.09094	1.0
227.63766	0.7
232.79764	0.8
243.08693	1.7
259.11053	1.0
373.12711	3.5
405.17374	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	405.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01850	5.8
55.05485	2.6
56.96552	6.3
57.03425	6.6
61.45293	2.7
68.99752	4.0
69.03410	8.4
69.51559	17.7
71.04966	6.0
73.02897	3.4
79.05496	3.2
81.03389	8.3
81.07034	4.7
83.04977	14.6
85.02897	38.3
88.26987	3.1
89.06017	25.4
91.05483	6.5
93.07025	3.1
95.04951	7.1
97.02871	16.2
98.20821	4.2
98.97593	4.1
99.04443	4.5
103.03910	10.4
103.05464	2.6
107.04928	3.7
107.08594	3.4
109.02856	12.8
109.06494	4.3
109.31924	2.8
116.98584	3.9
119.04928	3.8
121.02847	9.0
121.06475	4.6
121.10133	4.3
123.04388	16.8
123.11678	3.9
127.03905	100.0
128.04218	3.5
133.10127	2.7
137.05946	11.2
139.03908	5.2
140.04671	6.1
141.05420	3.8
145.04924	4.3
147.04398	7.1
151.03894	23.6
151.07515	3.7
153.05389	2.5
155.07034	10.5
161.05959	3.2
163.03871	8.4
165.05400	3.7
167.07047	5.2
169.04926	35.5
177.05438	4.2
181.04887	7.1
189.05428	3.7
193.04890	11.6
194.06902	6.5
196.78612	2.7
202.06735	3.1
203.07446	11.6
207.06390	3.9
217.04947	13.6
219.08505	4.4
225.07703	9.0
235.05991	11.2
237.02818	3.3
243.08739	11.7
253.06961	3.6
276.01111	3.2
373.12335	2.8
405.14340	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1542
Annotation	Nitidanin
Peak:m/z	Relative Intensity
50.63248	1.7
53.03936	2.7
55.03978	1.8
65.03945	9.1
67.05488	7.1
69.03414	5.5
69.21268	9.0
69.21699	13.0
70.91813	1.9
71.04985	4.6
75.08649	1.7
79.05493	12.9
81.03402	7.1
81.07073	8.6
82.04193	3.6
83.04967	3.8
85.02906	7.8
91.05468	9.4
93.03387	2.5
93.07022	5.1
94.04189	4.0
95.04958	4.5
95.08586	4.1
97.02896	5.0
97.06519	4.2
99.04426	3.8
102.08958	1.9
103.05453	5.4
105.03329	2.1
105.07033	6.2
107.04947	26.8
107.08575	2.6
109.02879	3.2
109.06589	2.3
109.10173	2.3
110.03655	4.0
111.04444	3.7
111.08068	3.9
115.05443	9.7
117.07008	7.1
119.04933	4.1
121.06496	2.7
121.10140	13.4
122.03637	8.2
122.06787	3.5
123.04427	6.7
123.08072	2.0
123.10366	2.0
123.11682	3.5
123.88228	1.7
124.05205	6.1
124.07600	4.5
125.05969	6.2
125.07918	2.3
125.09641	5.0
127.03915	3.6
128.06206	3.7
129.07025	9.0
131.04932	6.3
131.08530	2.9
133.06482	6.1
135.04428	2.3
137.05965	74.4
139.11127	2.2
140.46501	2.0
141.05443	2.0
143.04897	5.5
144.05699	5.5
145.06483	10.7
147.04422	5.6
147.08134	2.0
149.05960	4.0
151.03897	20.9
151.07492	5.8
153.05437	4.2
157.06496	10.6
160.05151	2.6
161.05975	15.0
163.03870	3.0
163.07501	3.9
165.05418	6.2
165.06963	1.7
166.06099	2.0
167.07024	94.8
167.10704	5.4
168.07321	2.4
171.04404	7.0
171.06552	5.2
172.05136	11.4
173.06003	9.1
174.06766	2.3
175.07518	9.2
177.05412	4.4
179.07016	3.1
181.04939	100.0
181.08513	3.8
185.11755	2.8
187.07567	6.7
189.05437	10.7
189.09091	4.7
190.06216	3.5
191.07021	5.9
193.08632	9.5
195.06522	4.8
200.04642	4.2
201.05412	4.7
203.07021	19.2
205.08508	11.7
206.05731	4.6
217.08571	4.4
218.05728	10.5
219.08234	2.4
219.10237	2.5
221.08054	12.2
225.14896	3.0
233.08060	68.0
235.09671	5.3
245.07986	2.7
249.09100	2.3
251.09276	10.6
255.06566	4.0
263.09116	11.9
265.08389	2.2
277.08554	6.0
293.08237	2.1
295.09778	3.6
301.07062	19.8
307.09497	3.6
309.11130	4.1
315.08636	3.3
316.09372	10.0
325.10602	3.6
327.12393	2.5
329.16113	2.5
337.10748	4.9
339.08545	2.5
339.12445	3.4
341.13974	3.8
342.11349	2.5
343.11850	2.5
351.12115	2.1
357.13321	14.2
369.13290	6.4
375.14340	8.2
387.14392	73.0
391.13815	1.9
405.15561	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	405.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
59.99273	1.0
65.03939	8.4
67.05501	5.1
69.03421	4.0
69.99162	1.6
69.99485	5.7
71.04972	1.0
79.05492	7.0
81.03423	5.3
81.07036	2.2
82.04208	2.5
85.02896	5.9
91.05485	3.0
93.03407	1.6
93.07009	2.1
94.04177	1.4
95.04962	5.1
97.02876	1.3
97.06499	2.6
98.20740	1.1
102.09376	1.2
103.05459	1.6
105.07035	1.8
106.02915	2.5
107.04948	16.4
107.08552	1.3
108.02091	1.8
109.02867	1.2
109.06506	1.4
110.03638	3.2
111.04444	2.4
115.05449	5.2
117.07018	3.1
119.04998	1.9
121.06535	2.8
122.03622	2.3
123.04439	3.6
124.03948	6.4
124.05209	2.2
125.05989	2.9
127.03923	3.5
128.06207	3.5
129.07013	8.3
131.04942	2.1
133.06496	2.2
135.04375	1.1
137.05966	37.0
138.03123	1.7
138.24751	0.9
142.02600	4.0
143.04912	4.6
144.05737	1.5
145.06415	5.2
147.04482	1.9
147.08061	3.1
149.06000	1.8
151.03896	18.4
151.07501	1.5
152.04700	1.9
153.05437	4.7
155.05977	1.6
156.90979	0.9
157.06488	9.2
159.04471	1.1
160.05191	2.1
161.05986	5.8
161.09596	1.7
164.04564	1.1
167.07031	36.9
167.08441	2.3
171.02649	1.3
171.04422	5.0
171.06525	4.5
172.05136	7.7
173.05983	4.1
175.07568	6.8
177.05458	1.7
181.04944	100.0
182.05350	1.8
187.07542	4.6
188.47298	1.0
189.05450	3.7
189.09106	10.5
190.06200	1.9
191.07034	3.4
193.08595	2.3
195.06493	2.5
199.34705	1.0
200.04694	3.0
201.05241	1.2
203.07004	13.4
205.08536	5.4
206.05650	2.5
207.10115	1.1
207.37889	1.0
215.07155	1.6
218.05672	5.9
219.06450	2.2
219.10136	1.1
221.08006	7.4
233.08073	52.1
234.06612	1.8
235.07552	1.3
235.09644	1.5
245.08002	2.2
247.07460	1.5
248.08374	1.8
249.08972	1.4
250.06837	1.6
251.06938	1.4
251.09200	2.5
263.09167	9.9
264.07349	1.2
265.08813	1.7
266.09424	1.2
268.08047	1.8
275.88690	1.1
277.08612	4.3
279.06580	1.0
289.73184	1.1
293.08127	1.2
294.08762	1.4
295.09616	1.5
299.09070	1.4
301.07108	2.2
309.11237	3.8
325.10809	2.5
337.10623	4.6
339.12381	1.0
341.13809	1.8
343.11816	1.2
351.12308	3.3
354.11102	1.6
357.13205	8.3
365.07053	1.0
369.13370	4.8
387.14359	27.8
405.16864	3.5
406.05026	1.3
406.14978	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	405.1541
Annotation	Nitidanin
Peak:m/z	Relative Intensity
50.87051	0.6
53.03935	1.3
54.56499	0.6
55.01867	1.1
58.43313	0.6
60.07866	0.6
64.65070	0.6
65.03932	5.1
67.05473	2.2
68.93562	0.6
69.03407	1.3
69.36324	3.7
69.36736	2.4
78.04698	3.1
79.05121	0.7
79.05487	7.1
81.03419	3.3
81.07035	1.7
82.04189	1.3
85.02884	2.0
89.82632	0.7
91.05481	4.6
93.03407	1.3
93.07036	0.8
94.04161	1.3
95.04961	3.5
95.08598	1.1
97.06528	1.6
103.05450	6.9
105.04508	1.0
105.07030	6.8
106.04152	2.3
107.04951	14.2
108.02071	1.0
109.02843	0.8
109.06522	1.6
110.03635	1.9
111.04430	1.0
111.08027	0.6
115.05438	4.2
117.06981	3.3
119.04948	0.8
119.08558	0.7
121.06479	2.1
121.10087	0.7
122.03629	2.8
123.04402	9.0
124.05183	3.7
125.05968	2.4
127.03909	1.2
128.06221	2.3
129.06995	5.0
131.04918	8.3
131.08571	1.3
133.06491	7.0
135.08083	1.2
137.05965	20.4
138.03069	1.4
142.02576	0.6
143.04907	2.6
144.05670	1.8
145.06494	4.2
147.04414	3.2
147.08075	1.5
149.05981	1.7
151.03891	12.1
151.04985	1.4
151.07562	3.1
152.04659	2.4
153.05438	2.6
157.06479	5.8
158.07289	0.9
159.08035	1.4
159.13657	0.6
160.05156	2.3
161.05968	9.0
161.09589	1.1
162.06767	0.8
163.07538	12.0
167.07019	100.0
168.07419	1.7
171.04384	2.7
171.06549	3.3
172.05174	5.4
173.05974	2.8
174.06714	1.4
175.07523	4.6
176.04793	0.8
177.05446	1.5
177.09091	1.4
179.06992	2.4
181.04942	49.3
181.08443	4.8
182.05292	0.8
187.07547	4.1
189.05374	1.7
189.09065	4.8
191.07037	2.3
193.08594	14.7
195.06578	1.6
200.04684	1.4
201.05426	1.2
201.09094	1.2
203.06995	8.0
203.08530	0.9
205.08490	3.7
206.05643	1.2
215.07001	0.8
217.08527	1.5
218.05763	2.1
219.08211	1.2
219.10133	2.5
221.07986	4.5
223.07483	0.9
231.08028	0.9
233.08069	27.0
233.11754	1.5
234.06583	1.2
235.09598	1.2
237.09132	0.9
237.11241	0.9
245.08032	2.0
247.07327	0.7
249.09177	1.3
250.06194	0.7
251.09113	1.7
263.08957	3.7
265.08560	1.1
277.08636	1.7
291.10052	2.1
293.08209	1.3
295.09891	1.0
307.09613	0.9
309.11151	2.7
313.10501	0.8
321.07681	0.8
323.12689	2.0
325.10709	1.7
327.12195	1.0
337.10593	2.6
341.13834	1.0
342.10913	0.9
351.12085	1.2
355.15344	2.6
357.13315	5.2
369.13120	3.2
387.14270	14.8
388.14630	1.2
405.14798	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01859	2.4
64.56751	1.2
65.03942	2.8
67.05501	2.7
69.07059	3.6
71.53480	2.0
79.05473	10.0
81.07067	2.1
85.02943	1.8
91.05463	23.2
93.07024	10.1
95.04957	9.1
95.08579	3.0
99.05343	1.6
103.05464	20.3
105.07027	15.6
107.04949	18.5
107.08601	1.5
109.06487	2.6
111.04379	1.7
115.05454	5.5
117.06998	4.4
118.04126	2.7
119.04945	9.7
119.08584	2.9
120.05686	4.3
121.06491	25.5
122.03593	1.4
123.04380	7.6
123.08104	1.6
125.05982	4.0
129.06941	1.6
131.04889	10.4
131.08513	1.6
132.05736	3.2
133.02850	2.6
133.06464	8.3
133.10081	1.5
133.92711	1.6
134.07274	4.4
135.04391	9.2
135.08031	11.8
136.05208	2.7
137.05959	17.7
138.06779	2.9
139.07578	2.7
143.04881	1.9
143.08574	1.6
145.06477	4.1
146.07265	4.7
147.04393	6.9
147.08041	4.7
148.05222	2.8
149.02374	1.6
149.05948	10.0
150.06752	32.1
151.03902	5.2
151.07533	46.4
152.07823	1.7
152.66798	1.4
153.05421	2.7
154.06245	1.5
157.06540	1.9
158.07274	2.6
159.08063	4.3
160.05191	3.5
161.05949	7.7
162.06763	3.7
163.07530	19.8
164.08351	8.9
165.05511	3.4
165.06958	4.4
165.09099	100.0
166.06233	12.4
166.09488	4.4
167.07018	45.2
169.06483	1.6
171.07932	1.8
173.05905	1.5
174.06815	3.2
175.07547	12.2
176.08311	3.0
177.05458	5.8
177.09082	7.9
178.09927	2.9
179.07019	5.4
179.08498	1.4
179.09183	1.6
179.10652	13.6
180.07690	3.1
181.04964	7.3
181.06557	5.1
181.08578	83.0
182.07298	3.3
182.08998	4.7
183.08041	3.0
189.09108	5.9
190.09880	3.3
191.07033	7.3
193.06873	1.6
193.08615	5.0
194.09326	13.8
195.06459	1.9
195.08231	2.4
195.10159	7.6
196.07149	1.6
196.10027	1.3
197.09691	2.0
198.06776	2.0
199.07497	4.7
202.09805	1.8
203.07150	1.6
205.08612	1.7
206.09428	1.9
207.10188	2.8
209.06049	3.5
210.06924	3.0
210.08830	7.3
211.07625	9.6
217.12221	1.4
224.08202	2.4
225.09119	8.1
226.06430	2.5
226.09871	6.6
227.06976	3.7
229.12201	2.6
233.08128	1.9
238.06017	2.0
239.07054	3.5
241.08578	4.4
242.09276	5.2
248.14594	1.7
253.08607	3.8
254.09354	2.3
255.06374	1.7
257.11603	8.1
267.10321	2.1
269.11710	2.2
285.11206	12.9
286.11954	3.7
287.09088	2.6
297.11160	4.2
301.10385	3.6
302.11423	28.8
313.14279	5.2
316.12933	5.5
317.13760	13.7
329.13702	5.8
344.16132	9.5
388.18588	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	405.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.0
55.01864	1.5
55.58369	0.6
57.03436	1.0
62.76431	0.6
65.03925	2.4
67.05493	1.8
69.03426	1.0
69.07057	0.9
69.76858	4.2
71.04998	0.9
78.04694	1.1
79.05489	6.8
81.07048	1.1
90.17992	0.8
91.05475	17.9
93.07036	8.6
95.04959	6.2
99.04439	1.0
103.05448	12.5
104.06257	1.2
105.03400	0.8
105.07029	12.0
106.01469	0.7
106.04165	1.1
107.04947	11.6
108.05718	2.3
109.06516	2.1
111.04414	1.5
115.05418	1.9
117.07003	2.5
118.04165	2.2
119.04940	6.6
120.05733	3.8
121.05657	1.4
121.06504	22.0
122.03675	1.1
122.07284	1.3
123.04414	4.2
124.05212	1.7
125.05978	1.7
129.07065	0.8
130.07813	0.9
131.04964	4.0
131.05824	0.8
132.05733	0.8
133.02811	1.7
133.06506	7.2
134.07262	5.5
135.04422	4.0
135.08022	5.7
136.05182	3.0
137.05966	12.7
138.06723	2.6
139.03891	1.2
139.07524	2.3
140.04677	0.7
141.06960	1.3
143.08591	1.8
144.05698	1.6
145.06480	4.2
145.10109	2.7
146.07253	3.2
147.04443	3.9
147.08057	2.1
148.05130	2.1
149.02303	1.0
149.05965	7.5
150.06760	19.5
151.03894	2.6
151.07536	53.8
152.04608	1.0
152.07820	1.0
153.05484	2.6
153.06979	2.4
155.07065	1.0
155.08505	1.4
157.06429	1.5
158.07260	4.4
159.08008	2.5
160.08858	0.7
161.05957	2.2
162.06744	2.2
163.07558	4.8
164.08220	1.4
165.05431	2.1
165.07129	3.9
165.09100	100.0
166.06247	6.5
166.09447	2.6
167.07031	50.4
168.07477	1.0
169.06491	1.3
171.08044	2.9
172.08823	0.9
173.09645	4.1
174.06760	2.4
175.07535	5.2
176.08308	1.6
177.05438	2.3
177.09106	5.2
178.06268	0.8
179.06993	2.1
179.08557	1.2
179.10600	3.8
180.07788	3.0
181.05043	1.6
181.06532	5.4
181.08580	73.3
182.07263	3.1
182.08925	2.1
183.08051	3.9
184.05205	0.8
184.08653	0.9
186.10393	4.2
187.07539	3.6
188.08356	0.8
189.09032	4.0
190.09872	1.8
191.07021	2.0
191.10657	2.3
193.06532	1.3
193.08604	1.9
194.07602	1.3
194.09331	8.9
195.08069	2.7
195.10135	3.4
196.07246	1.8
197.06017	1.7
197.07881	1.2
197.09622	1.9
198.06732	1.7
199.07564	4.2
201.09183	4.8
202.09846	5.7
205.08636	2.4
207.10083	1.6
208.08743	1.3
209.05945	1.9
210.06764	4.1
210.08865	7.7
211.07564	7.5
211.09453	1.4
212.08331	1.1
213.09044	2.5
214.09923	0.8
217.08737	1.1
217.12238	10.9
222.06798	0.9
223.07494	1.2
224.08340	1.2
225.09087	7.8
226.06248	1.6
226.09848	6.1
227.06967	4.4
229.12331	1.7
233.11719	8.2
237.05467	1.5
239.07007	2.0
239.10663	1.5
241.08604	3.1
242.09315	2.9
243.10188	1.1
253.08531	3.3
253.12120	0.8
254.09386	1.7
255.06357	1.6
257.11716	7.7
259.09680	1.2
267.09943	1.1
269.08023	1.9
269.11313	0.8
270.08777	1.5
271.09543	1.6
271.53433	0.7
281.11618	0.8
285.11160	9.6
286.11862	4.0
287.09067	2.6
297.11246	0.9
299.12671	1.0
301.10654	2.9
302.11450	20.3
303.11642	1.0
311.12775	1.3
313.10611	1.0
316.12991	7.7
317.13800	7.8
327.12302	1.0
329.13892	1.0
339.16031	1.1
342.14633	1.7
343.15289	2.3
365.01019	0.9
371.18362	10.5
388.18954	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1906
Annotation	Myristicanol B
Peak:m/z	Relative Intensity
52.54799	0.3
53.03941	0.8
55.01869	0.7
65.03925	0.7
67.05493	0.9
69.03409	0.5
69.29193	1.7
69.29621	1.4
71.04972	0.3
77.03915	0.4
78.04705	4.2
79.05487	4.8
81.03386	0.5
81.07032	1.0
84.58935	0.3
85.02882	0.4
91.05482	4.0
92.66415	0.3
93.03400	0.5
93.07037	1.3
94.04191	0.7
95.04967	2.5
95.08595	0.5
97.06552	0.5
98.21520	0.7
103.05458	6.3
105.03357	0.5
105.07022	7.1
106.04153	2.5
107.04947	10.0
109.02873	0.5
109.06495	0.9
109.10140	0.4
113.92943	0.3
115.05437	2.5
117.06998	1.2
118.04141	0.6
119.04937	1.5
119.08524	0.4
121.06479	2.4
121.10162	0.3
122.03648	0.8
123.04424	8.1
123.08073	1.0
123.10250	0.3
124.05229	4.2
125.05994	1.0
127.03910	0.5
128.06203	0.5
129.06973	1.2
131.04916	8.0
131.06355	0.4
131.08492	0.7
132.05675	0.5
133.05490	0.4
133.06483	6.3
134.03586	0.7
135.04405	2.0
135.08052	1.7
135.11661	0.4
136.05197	0.4
137.05968	5.9
138.06741	0.6
139.07556	0.8
140.22112	0.4
141.06961	1.1
143.04912	0.9
143.06070	0.9
143.69464	0.3
144.05788	0.7
145.06494	2.5
147.04425	2.0
147.08022	0.6
149.06039	2.0
149.07428	2.7
149.09607	0.3
151.03905	3.0
151.07532	3.9
152.04662	2.5
153.05461	1.4
153.09145	0.3
155.07111	0.4
155.08467	0.4
156.05824	0.3
157.06450	0.5
158.07262	0.7
159.08041	1.3
160.05235	0.8
161.05984	7.1
162.06699	0.9
163.03897	3.9
163.07538	14.8
164.07909	0.5
165.05414	0.4
167.07028	100.0
168.07370	2.0
172.05200	0.4
173.05965	1.3
175.07486	1.7
177.05414	2.2
177.09145	2.0
179.07030	3.1
181.04938	3.2
181.08571	4.8
187.07532	2.8
189.09047	0.8
191.07077	0.8
193.08600	15.6
194.08966	0.6
195.10172	0.4
201.09161	1.1
202.07869	0.5
203.06998	0.5
203.08638	0.6
205.08574	1.7
205.58650	0.3
207.10153	0.7
209.08052	1.0
217.08586	0.7
219.08221	0.6
219.10083	2.4
231.08119	0.5
233.08101	1.1
233.11717	1.2
235.11087	0.4
237.11214	1.1
238.92920	0.3
248.08350	0.5
257.08133	2.8
258.08215	0.4
263.10614	0.7
291.10193	1.1
295.13370	0.5
323.12787	2.1
345.67755	0.3
347.14896	0.5
355.15341	3.5
357.13126	0.4
387.14072	0.9
387.18088	1.1
405.15042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.7
55.05507	12.3
56.45420	0.7
56.51802	0.8
57.03426	6.1
57.07069	4.1
67.05502	5.9
69.07061	12.3
69.70301	1.3
69.70686	5.5
71.08620	2.5
79.05495	4.2
81.07053	8.6
82.93777	0.7
83.08616	11.2
84.45176	0.7
91.05467	2.0
93.07040	5.7
95.08591	4.6
97.06500	1.6
97.10146	5.6
105.07021	1.7
107.08601	4.3
109.10126	2.6
111.08068	1.6
111.11706	3.1
113.00006	100.0
119.08585	1.6
121.10121	5.8
123.08060	1.2
123.11622	0.8
131.01071	1.0
135.11676	3.6
139.07562	0.9
143.08411	0.7
154.02722	1.6
167.06920	1.0
169.02592	94.8
205.50632	1.0
219.21175	1.4
237.22115	8.3
405.37375	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2632
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
51.23261	5.8
55.01865	14.6
55.05521	43.0
67.05504	73.6
69.03418	35.9
69.07073	32.0
69.61517	49.5
79.05489	56.4
81.03405	27.8
81.07048	68.6
83.04968	9.0
83.08622	17.2
85.02914	16.2
91.05477	74.6
93.07041	72.9
95.04958	16.2
95.08605	74.1
97.02871	15.0
97.06521	9.6
98.21558	6.7
105.07018	70.9
107.04965	15.3
107.08572	50.0
109.02917	10.6
109.06517	11.6
109.10159	25.0
111.04391	10.4
111.08063	8.3
117.06998	32.3
119.08566	40.5
121.10105	36.1
123.04441	7.5
123.08038	10.5
123.11684	11.1
127.03917	8.9
128.06229	8.6
129.06993	32.0
131.08553	43.8
133.06514	9.7
133.10101	42.6
135.11681	25.8
139.07558	8.4
143.08574	22.9
145.10069	33.2
147.08064	9.7
147.11684	27.7
147.68182	6.4
149.13213	12.4
155.08533	13.7
157.10118	19.0
159.11639	32.8
161.13269	21.3
163.11139	7.7
169.10107	14.6
171.11688	17.5
172.29057	7.0
173.09637	7.7
173.13264	27.8
175.11267	10.7
175.14774	6.8
183.11604	6.8
185.13222	8.3
187.14867	12.2
189.12711	7.1
189.16403	7.8
197.13222	9.9
199.14738	8.1
257.22870	6.5
259.20566	8.5
273.21970	10.4
303.23178	12.1
315.23157	16.3
327.23163	11.4
341.24863	16.8
345.24359	14.0
351.23221	22.1
369.24158	49.8
387.25256	51.1
405.26263	100.0
405.37109	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	406.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.8
55.05494	2.7
56.05033	8.6
57.03425	4.7
57.27601	0.7
57.98802	0.7
58.99580	11.7
61.01145	0.7
68.05011	2.2
69.07048	1.9
69.72536	3.1
69.72943	1.5
69.97520	0.6
73.01118	1.3
74.00648	2.1
74.02419	0.8
74.91346	1.0
76.02220	21.6
76.03979	2.3
76.05460	0.6
79.05482	4.9
79.05881	0.9
80.05003	1.2
81.07046	20.6
83.06089	1.5
84.04495	26.5
85.01125	3.5
85.02872	1.7
86.00643	5.9
86.99034	6.6
87.02682	4.9
87.31596	0.8
88.02194	2.6
89.07442	0.8
93.07030	1.3
94.06561	1.2
95.08592	4.3
97.01072	1.4
97.02878	1.0
97.06516	1.6
98.09681	13.6
98.21402	1.1
99.05569	1.2
99.08085	5.1
102.05508	4.6
105.07009	1.8
107.04955	1.0
110.09647	1.8
112.03979	4.0
113.04232	7.0
115.05761	2.0
116.01664	22.6
116.02493	1.1
121.06475	1.0
122.09631	1.4
123.08032	1.7
123.10492	1.1
127.03867	1.2
127.05760	1.6
129.06558	2.4
130.04980	8.7
130.06839	4.2
130.08620	1.6
139.05814	1.5
142.03223	1.8
143.02701	1.4
144.01126	9.0
145.05957	1.5
147.04390	0.8
151.07491	0.8
156.08406	19.6
156.10179	11.2
157.06801	7.4
162.02191	20.3
163.02534	0.8
167.07022	11.6
170.02708	1.5
174.02145	0.8
174.09450	14.0
177.05481	1.2
177.48743	0.9
179.04828	9.1
182.11722	0.7
188.03737	1.5
189.03215	1.2
209.08066	2.7
210.11198	2.8
216.06874	6.1
227.09032	4.1
233.05881	2.0
242.08347	1.0
245.04372	2.7
259.11090	100.0
260.11676	3.6
277.12033	1.2
285.12607	2.0
311.53775	0.7
313.12042	3.5
318.10849	1.5
331.13193	5.4
332.12564	1.5
388.15295	1.8
401.66382	0.9
406.16354	3.7
407.07660	1.1
431.11673	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18208	2.2
57.07063	2.6
67.05503	19.2
67.99708	2.4
69.07071	3.4
70.06577	7.9
70.12960	11.4
71.04984	64.6
79.05481	5.2
81.07052	4.4
82.74851	2.5
88.07642	2.9
89.75042	2.3
91.05460	8.8
93.07027	3.7
95.04955	48.6
95.08597	3.6
105.06992	6.5
107.04936	14.3
107.08573	2.8
109.06489	5.0
113.05995	91.4
114.09144	3.4
119.04911	4.3
119.08546	3.0
121.06482	8.9
121.65733	2.4
124.05194	34.6
125.06096	2.5
129.07108	2.3
132.10214	3.7
133.06459	3.7
135.04407	2.8
135.11711	2.9
136.05157	5.9
137.05933	6.1
138.06697	5.1
139.07523	100.0
145.10040	3.1
147.04393	5.0
147.07993	4.6
151.07526	51.3
152.07950	3.0
159.08032	4.7
160.08774	8.0
163.03848	2.9
163.07513	8.8
164.08292	7.0
165.05493	6.3
165.09126	6.4
167.07031	32.9
168.07292	7.2
173.09534	4.5
174.10410	11.3
176.08386	4.0
176.12708	2.7
179.03336	2.5
179.10646	67.4
191.06979	30.5
191.10660	39.2
193.08459	3.4
204.07777	3.3
205.12181	26.4
209.08086	21.2
217.08582	2.5
226.81964	2.8
233.11678	36.4
247.85260	2.6
251.12740	16.5
297.14859	3.8
308.57294	3.1
371.18497	56.1
372.18820	3.2
406.29865	4.4
406.35236	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21253	14.3
51.99694	16.8
53.03899	15.4
63.19025	14.5
67.05468	17.3
70.92242	48.3
79.05476	49.0
81.07011	19.8
91.05453	57.9
93.07015	25.9
95.04953	27.7
95.08537	30.1
105.07019	34.7
107.04924	22.0
108.22760	13.7
109.06470	28.0
117.06950	24.6
118.04092	16.6
121.06421	16.1
125.05966	53.9
133.06532	23.2
135.04381	19.1
137.05959	52.8
147.04346	26.7
150.06718	28.3
151.07503	74.0
153.05423	29.9
161.05869	22.6
162.06746	43.5
165.05444	39.8
165.09061	74.4
166.06154	21.9
166.47643	15.6
167.07108	21.2
177.09074	17.8
181.06326	17.3
181.08563	100.0
189.09050	17.1
191.06874	15.3
193.08580	72.4
209.09595	30.3
215.10648	21.7
223.11069	20.8
225.09042	25.3
239.10567	57.5
240.11305	21.1
245.04597	17.1
253.12294	17.2
255.13750	23.3
281.11728	22.7
282.12323	26.8
283.13150	32.5
325.14252	63.9
393.45352	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52007	0.5
55.01867	0.8
56.86605	0.6
57.03427	0.6
58.73327	0.6
67.05460	0.9
69.43877	4.4
79.05474	3.0
91.05478	4.5
93.07056	0.9
95.04955	0.8
97.06510	0.7
103.05460	2.0
105.07021	6.5
107.04929	2.6
107.08593	0.5
109.06492	0.9
109.10139	0.6
113.05984	0.9
115.05455	1.1
117.07031	0.8
119.04929	1.8
120.05727	0.8
121.06477	5.0
125.05951	1.0
131.04890	1.6
131.08510	0.6
132.05684	0.6
133.06461	4.4
134.07265	2.5
135.04381	2.1
135.08049	3.9
136.05226	1.3
137.05954	2.2
138.06813	0.7
145.06421	1.4
146.07216	1.1
147.04381	0.9
149.05978	1.6
150.06740	13.0
151.07529	31.7
152.07907	0.6
157.51956	0.5
159.07971	0.6
159.14677	0.6
161.05930	0.6
162.06705	1.4
163.07541	3.2
165.09097	100.0
166.09447	2.3
171.08070	0.8
174.06758	0.8
175.07559	1.2
177.09114	2.5
179.10667	2.1
180.07770	3.4
181.08614	1.5
183.08041	2.1
186.10396	1.3
187.07465	1.4
189.09099	2.6
190.09837	0.8
191.10678	1.2
193.06737	0.7
193.08609	2.4
194.09344	5.8
195.08044	1.3
195.10168	2.0
196.08725	0.7
197.19917	0.6
201.09116	0.6
202.09940	2.1
203.10738	0.7
205.08551	0.7
207.10182	1.1
209.09734	1.5
210.10428	1.5
211.07544	2.9
211.09509	1.3
212.08287	0.8
217.12242	4.4
225.09079	1.4
226.09932	1.4
227.10629	1.0
239.06738	0.6
241.12170	2.7
253.08476	0.8
254.09354	1.4
255.10083	2.5
269.11661	2.8
270.12473	4.3
271.09650	4.6
271.27444	0.6
285.11142	1.4
286.11957	13.7
296.13940	0.9
297.14532	0.8
300.13559	4.5
301.14288	15.1
311.12701	0.9
313.65085	0.5
327.15976	1.9
355.18936	7.2
372.19275	1.0
406.35223	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	406.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25795	2.1
56.05029	2.1
56.96559	3.0
62.99597	1.9
67.05542	2.5
69.79429	12.4
72.08157	2.9
79.05486	4.7
81.07067	6.0
91.05476	7.1
93.07087	2.2
95.04955	3.5
105.07027	9.5
107.04962	4.3
119.04962	3.9
119.08582	2.6
121.06499	11.1
123.04424	2.3
125.05967	3.7
128.31697	2.1
132.10214	9.4
133.06526	3.5
134.07272	3.2
135.04315	2.4
135.08051	7.9
136.05220	3.9
137.05977	3.6
139.07364	2.6
145.06450	3.4
146.07219	4.9
149.05956	3.0
150.06766	15.7
151.07532	57.6
152.07985	2.3
162.06758	6.6
163.07518	7.5
165.05566	2.4
165.06992	4.9
165.09105	100.0
166.09413	2.8
167.07127	2.7
176.08310	2.9
177.09088	7.5
179.10666	7.8
181.08626	2.4
183.08046	5.2
186.10323	2.5
187.07608	2.7
189.09123	9.2
191.10657	4.9
193.06775	1.9
193.08566	11.7
194.07484	2.3
194.09378	6.3
195.08107	3.1
195.10185	9.4
202.09882	6.0
205.08592	2.9
207.10243	4.2
209.09625	2.5
210.10300	2.9
211.07455	6.1
217.12180	12.2
225.09148	3.2
226.09952	3.6
241.12271	7.9
255.10127	10.2
256.10526	2.4
269.11786	3.6
270.12524	9.7
271.09689	9.9
283.13287	2.8
285.10962	3.2
286.11990	39.9
300.13580	16.3
301.14307	39.8
314.30487	12.4
327.15887	3.1
355.18985	11.9
406.35281	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	13.4
57.03413	4.1
58.03482	3.1
67.05492	4.7
69.03397	7.5
69.07054	7.3
70.16090	15.6
71.04995	5.3
73.41425	3.4
78.66483	3.5
79.05485	11.4
81.07040	14.3
83.04972	13.9
83.08604	8.8
85.02896	13.0
88.53114	3.1
91.05468	12.4
93.07016	8.0
95.04955	76.6
95.08583	4.5
97.02892	3.6
97.06478	3.5
99.04441	16.4
99.79765	3.2
103.05439	5.5
105.07020	14.0
107.04963	7.8
107.08582	38.2
109.06487	6.7
109.10150	9.0
119.08584	6.5
121.10162	14.8
123.04416	8.8
123.08047	5.0
123.11703	5.8
127.03899	5.5
133.06473	5.3
133.10074	5.8
137.05981	26.8
138.06364	3.9
148.04739	4.0
151.07539	7.3
151.11186	15.6
153.09122	20.6
163.07541	12.0
164.07881	5.8
167.07018	45.5
167.14323	16.5
168.07350	27.0
173.13297	8.0
175.07623	4.2
179.14349	16.4
181.08521	7.7
181.16031	3.6
191.14270	17.4
193.08499	6.5
193.15843	4.5
209.15350	100.0
210.15762	4.4
222.12202	4.1
227.16409	5.0
265.43304	4.0
388.14355	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	406.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.05238	1.4
55.05504	24.6
57.03413	1.1
57.32537	1.3
59.04987	1.3
59.27797	1.3
61.02910	1.5
62.14644	1.2
67.05488	3.4
69.03409	4.6
69.07037	2.7
70.77693	3.9
71.04966	2.0
72.16158	1.0
79.05470	4.6
81.03394	3.5
81.07035	7.2
81.17542	1.0
83.04498	1.4
83.04971	17.2
83.08145	1.6
83.08604	19.8
83.48483	1.1
85.02910	11.2
85.06519	2.0
87.43921	1.1
91.05460	2.8
93.07046	5.7
95.04946	10.1
95.08590	3.8
95.26806	1.4
96.04476	1.1
97.02892	4.1
97.06502	3.2
97.10155	2.7
97.97798	1.1
99.04439	1.8
100.15292	1.2
105.07008	3.0
106.02888	5.3
107.04942	2.0
107.08597	10.6
109.02843	2.0
109.06514	3.4
109.10152	9.3
111.08071	4.3
119.08546	1.1
121.06485	4.3
121.10110	5.3
123.08019	1.4
123.11680	5.0
124.03929	11.7
125.05917	1.3
125.09607	5.8
127.03901	1.7
133.10095	4.4
135.08029	6.6
137.05931	4.4
137.09677	1.2
138.06274	1.8
139.11142	3.1
145.04984	1.7
147.11629	1.6
149.09637	2.0
149.13234	2.4
151.03841	2.3
151.11168	26.2
153.09097	2.3
167.07057	5.4
167.14301	32.7
168.07359	2.6
173.13211	1.7
181.04987	9.0
181.12233	3.6
182.05264	6.6
185.08162	1.4
191.14302	3.6
209.15349	100.0
210.15727	3.8
221.08064	1.4
233.08116	2.8
234.08429	4.9
240.08551	1.2
245.04578	1.9
249.18661	1.1
250.07158	2.7
268.08154	2.6
335.18539	1.8
371.20642	4.6
388.14615	5.1
402.10095	1.2
406.15051	4.2
407.14667	1.9
427.83548	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56711	2.3
55.01858	2.7
55.05510	23.6
57.03411	3.2
58.02991	1.7
58.06591	11.0
59.80207	1.9
61.02914	3.0
67.05493	4.9
69.03429	6.9
69.07062	2.6
70.06573	4.7
71.04991	1.9
71.69901	2.0
79.05499	3.8
81.03403	2.8
81.07055	9.3
83.04973	21.6
83.08604	15.8
85.02886	12.6
85.06537	3.2
91.05463	4.6
93.07014	8.7
95.04951	8.0
95.08592	8.3
95.28567	1.8
97.02889	2.4
97.06552	2.7
97.10144	3.7
99.08057	2.6
105.07041	6.2
107.04978	3.6
107.08601	14.3
109.06507	4.4
109.10156	10.4
111.08054	4.7
112.07595	3.2
121.10138	8.7
123.04465	3.0
123.08018	2.5
123.11718	3.2
125.09623	6.9
127.03946	2.9
131.04973	2.2
133.10143	10.6
135.08044	6.4
137.05936	4.5
138.06281	2.0
139.11188	2.7
145.04936	2.3
146.06808	2.0
147.11694	5.7
149.13248	6.5
151.11168	33.0
163.07559	3.1
165.12842	2.6
167.07051	3.8
167.14294	34.4
169.05032	2.2
173.13281	2.1
181.04926	7.0
181.12219	4.1
191.14333	4.0
209.15341	100.0
210.15697	5.0
227.16396	21.9
234.08461	3.3
245.04564	4.1
356.18344	2.9
371.20505	3.5
374.03107	2.5
388.14771	3.9
407.07474	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	406.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.6
56.17099	1.1
57.03432	2.4
57.07053	2.9
59.04993	2.6
61.02914	1.1
67.05488	4.8
68.69231	1.3
69.03413	3.9
69.07061	6.0
70.50208	0.9
71.04988	1.7
71.37569	1.4
71.37904	2.3
79.05482	22.5
81.03404	1.6
81.07049	37.5
82.07427	1.1
83.08614	2.9
85.02898	9.2
85.06521	1.6
91.05466	6.7
93.07031	11.0
95.04906	1.4
95.08599	12.8
97.02875	3.5
97.06507	8.4
97.10165	1.1
99.18823	1.1
105.07025	7.6
107.04938	2.5
107.08579	100.0
108.08913	3.1
109.02863	1.2
109.06508	4.6
109.10143	5.8
110.10516	1.3
111.08150	1.1
115.07573	3.2
119.08576	6.3
121.10126	20.7
122.10474	1.2
123.08064	3.5
125.09621	2.7
127.03910	1.9
131.08540	2.2
133.10104	5.0
135.11687	7.6
137.13246	1.4
142.03209	4.7
145.04958	1.9
145.10115	2.2
147.11671	2.5
149.13235	5.4
152.04588	0.9
160.04257	1.9
161.13239	13.7
163.07475	1.1
163.14828	16.1
167.07008	3.3
168.07333	1.3
173.13255	4.8
175.14821	5.0
177.12672	1.9
179.14291	72.8
180.14670	2.3
187.14941	1.6
189.12743	1.2
191.14288	29.5
192.14653	1.7
193.15833	10.5
203.14265	1.2
209.15341	33.3
233.15309	1.9
243.36699	1.1
317.17352	1.7
325.20084	1.2
335.18573	1.6
353.19666	3.0
371.20364	1.2
407.07346	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	13.9
55.01861	14.7
55.05512	11.4
58.06589	33.7
65.03948	22.3
67.05505	25.5
69.03425	42.2
70.06576	22.6
71.04971	21.9
71.53183	25.1
79.05479	16.8
81.03423	26.2
81.07054	40.4
83.05012	16.2
83.08634	12.4
85.02885	45.8
91.05462	35.4
93.07053	26.4
95.04974	22.0
95.08603	41.2
96.08932	12.0
97.02891	16.1
97.06512	26.0
103.05476	16.3
105.07029	40.2
106.02893	20.6
107.04943	49.0
107.08588	43.1
109.02850	19.4
109.06505	23.5
109.10130	22.1
119.08523	16.1
120.93901	10.0
121.06484	26.8
121.10139	67.7
122.10442	16.5
123.04372	16.1
123.11729	24.2
124.03913	36.4
125.09593	16.6
127.03906	18.0
129.07005	11.3
131.04945	22.1
131.08510	15.5
133.10075	64.9
135.11667	22.7
137.05975	47.2
139.11176	12.3
145.04900	12.0
147.04376	19.5
147.11708	23.3
149.09595	13.5
153.05531	13.8
161.05876	11.7
163.07509	23.3
165.05449	21.4
167.07062	43.1
167.10660	17.3
168.07632	13.9
168.11041	18.8
173.05809	10.8
173.13252	31.7
175.07510	12.8
177.05472	23.3
181.04965	100.0
181.08542	22.2
189.09184	16.9
191.14331	55.2
197.15137	10.8
209.08090	29.7
209.11681	43.9
209.15265	54.7
215.07074	14.5
215.16353	13.8
221.46078	9.9
227.10619	19.1
227.12766	14.7
227.16423	63.9
245.04518	41.4
245.17453	29.9
285.03769	11.1
307.86896	10.4
346.96152	11.1
379.07840	11.7
389.13354	23.0
397.35162	13.7
407.07709	18.0
407.13019	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71560	0.8
55.01867	2.8
55.05511	8.2
56.05035	7.2
57.03437	6.5
58.99584	11.0
61.01140	0.8
65.03942	0.8
67.05504	1.5
67.49747	0.8
69.03433	4.8
69.07068	2.2
69.94072	3.7
70.02979	0.9
70.06601	1.6
73.01122	1.4
73.02930	1.1
74.00649	1.6
76.02223	17.7
76.03993	2.2
79.05479	4.6
80.05019	1.4
81.03412	1.0
81.07055	20.1
83.04980	4.0
83.06095	1.2
83.08614	6.9
84.04494	23.5
85.01125	2.2
85.02904	4.8
86.00638	4.3
86.99033	5.7
87.02699	4.7
87.04470	2.3
88.02225	1.1
91.05475	2.0
93.07055	3.4
94.06571	1.1
95.04976	3.0
95.08593	4.2
96.08152	1.2
97.01058	0.9
97.02861	3.7
97.06533	2.6
97.10165	1.0
98.09682	12.7
99.08075	4.5
102.05531	3.8
105.07032	3.3
107.04958	2.2
107.08582	3.3
109.02843	1.0
109.06535	0.8
109.10141	3.0
110.09663	2.7
111.04465	0.8
111.08105	1.8
112.03958	2.7
113.04247	6.1
114.03699	0.9
115.03928	3.5
115.05775	1.9
115.19415	0.8
116.01669	18.4
119.04927	0.8
121.02849	0.7
121.06504	0.9
121.10134	1.5
122.09650	2.1
123.04433	2.5
123.08105	1.3
123.10495	0.7
123.11655	1.2
125.09623	1.9
127.03932	1.8
127.05680	0.8
129.06601	2.9
129.34575	0.8
130.04991	5.5
130.06865	3.6
130.08611	1.2
133.04958	3.4
135.04411	1.1
137.05966	2.1
139.05734	1.8
139.07439	0.8
142.03177	1.9
144.01143	7.5
145.05029	0.9
145.05995	1.7
147.04437	1.2
149.06038	1.1
149.13300	1.2
151.11162	8.9
156.07170	1.6
156.08423	19.6
156.10204	13.0
157.06783	8.0
161.04536	0.7
161.06047	0.9
162.02199	19.1
163.02527	1.3
163.03871	1.2
167.07045	2.2
167.14317	11.7
174.09494	11.1
179.04845	6.8
181.06380	1.0
181.08626	1.2
183.06543	1.0
188.03781	1.2
189.03336	1.3
195.06525	2.3
203.07500	5.3
203.57889	0.9
209.08011	1.2
209.15353	36.5
210.11305	2.6
210.15688	1.7
216.06937	4.8
216.24292	0.8
221.93425	0.8
233.05946	2.2
244.15511	1.9
245.04254	4.1
257.04492	1.7
259.11102	100.0
260.11475	5.2
261.10095	0.9
285.12613	1.1
291.06656	0.9
302.55765	0.9
313.12222	2.6
331.13181	5.6
332.12930	1.4
374.13156	5.2
388.15085	1.0
406.16275	3.2
407.07281	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	407.3671
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03944	3.6
55.05500	12.3
57.07063	5.7
65.03937	2.1
67.05497	38.0
69.07065	20.6
69.80667	11.9
79.05486	18.2
81.07050	81.3
82.07387	3.0
83.08625	8.5
91.05472	19.6
93.07043	44.4
93.07639	3.0
93.32967	1.9
95.04935	2.2
95.08599	100.0
97.10161	5.7
105.07018	30.0
107.08585	44.6
109.10149	63.5
110.10538	2.7
117.07000	4.9
119.08575	31.2
120.08929	2.5
121.10124	33.4
122.10484	2.0
123.11696	23.6
131.08571	10.6
133.10107	27.8
135.11687	29.9
136.12061	2.3
137.13243	4.1
143.08557	3.5
145.10127	15.5
147.11688	22.5
148.11990	2.4
149.13243	42.8
151.07568	6.6
158.52699	1.9
159.11639	9.8
161.13264	17.7
163.14815	12.1
173.13257	7.2
175.14803	44.5
177.16354	6.2
185.13280	4.1
187.14810	9.4
189.16371	36.3
189.18118	2.6
190.16788	2.4
191.17973	2.1
201.16376	15.1
203.17931	28.1
205.19528	20.0
215.17880	10.1
217.19524	8.7
231.21011	4.4
243.21024	3.3
269.22736	3.1
389.06583	2.2
407.21957	2.7
407.31766	3.2
407.36737	50.7
408.36948	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	408.186
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81260	0.8
65.92673	0.8
69.03424	1.3
70.06593	1.8
70.66775	2.8
79.05448	0.8
81.03384	1.2
84.72622	0.9
85.02876	3.2
97.02872	1.2
107.04898	1.2
112.07579	1.7
123.04438	3.0
133.06473	1.0
137.05865	0.9
149.05962	1.6
151.03926	1.1
161.05927	1.2
167.07019	100.0
168.07397	2.1
181.08548	1.6
193.08606	4.4
211.09622	15.4
229.10652	10.8
245.04370	2.5
253.02522	0.9
257.04373	4.7
287.05377	2.8
409.09137	4.8
419.63138	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	4.1
56.96562	13.2
57.03407	4.0
57.92269	2.0
61.02890	3.1
67.05453	2.5
68.99753	6.5
69.00092	2.2
69.03395	7.8
70.06542	2.4
71.52512	3.2
73.02882	4.4
77.00867	2.5
81.03362	2.7
82.99824	3.0
85.02895	14.2
86.21786	1.8
91.05453	3.1
95.04935	2.9
97.02850	7.0
98.97559	20.5
101.00862	17.8
103.02429	2.7
107.04884	2.4
109.02836	3.8
110.97546	2.9
112.07586	2.0
113.00813	6.0
115.02361	6.6
116.98587	9.7
119.01907	57.4
119.04876	4.0
119.51907	1.9
120.01938	3.2
123.04415	62.9
127.02342	3.8
127.03823	8.3
128.98517	6.0
129.03915	2.6
131.00134	4.3
131.01894	34.0
133.03458	29.7
134.99600	4.1
137.02867	6.9
137.05910	4.9
139.02351	3.3
139.03868	12.8
142.03487	2.5
143.00157	2.1
143.01894	50.0
145.03487	27.0
146.99562	6.6
147.01317	3.2
147.04286	8.9
147.05058	5.2
149.02867	6.8
151.02681	1.9
151.03693	9.5
155.00819	1.8
155.01859	23.8
157.03453	16.8
158.99564	3.3
159.01295	2.5
159.05086	2.2
161.02957	74.8
161.05823	4.4
162.02982	3.3
163.03751	12.6
165.05890	3.3
167.01814	3.3
168.99724	9.1
169.03323	7.2
170.99693	2.6
171.01280	10.0
171.04971	6.3
173.01395	2.8
173.02950	53.1
173.06087	2.4
174.99086	2.6
175.00720	1.8
175.03978	13.7
177.00618	4.0
177.02272	2.5
177.05396	8.3
183.01308	5.9
184.04521	3.3
185.01535	1.8
185.02977	17.2
185.06422	6.7
187.00793	11.9
187.04401	11.3
189.00816	2.9
189.02307	14.8
189.05884	9.3
191.03981	13.6
193.00061	3.2
193.04984	13.6
196.04555	2.3
197.02954	11.0
199.00800	9.5
199.04341	6.8
201.00598	3.0
201.02299	8.4
201.06064	13.9
203.03639	24.2
203.07495	4.0
205.03452	2.3
207.01527	3.3
207.03377	4.5
211.00772	3.2
211.04549	2.5
213.02266	7.5
213.05511	4.3
215.00276	7.4
215.03476	9.8
215.07208	2.6
217.01915	25.8
217.03859	2.7
217.04970	6.9
218.01857	2.7
219.01633	7.5
219.03442	4.1
221.03119	3.0
221.05046	17.7
223.04634	3.7
223.06616	3.4
225.05963	3.9
227.03961	2.6
229.01897	4.3
229.04945	16.5
230.05563	3.3
231.03459	25.8
231.05748	2.9
231.06552	2.7
237.02786	15.3
239.06125	4.1
241.01703	2.8
241.04784	4.5
243.03549	4.0
245.04648	40.8
246.05240	3.7
247.02995	11.4
247.06213	6.3
249.04411	6.7
253.05432	2.2
255.06403	3.0
257.01804	3.5
257.04440	37.8
258.05008	8.0
259.02844	12.0
259.05939	13.7
259.08643	2.9
261.04434	3.3
261.07971	2.6
263.06131	11.9
271.02966	4.4
271.05923	14.8
273.04391	2.7
275.02356	8.3
275.09537	5.8
277.04086	3.0
277.07425	3.6
281.05289	4.1
283.06046	13.9
287.05478	72.1
288.05692	2.9
289.03964	43.3
290.03870	3.5
291.09113	18.6
293.05331	2.6
293.10635	8.8
297.07407	5.1
299.05405	10.4
301.03931	23.6
305.07153	4.1
307.05066	58.9
309.10074	3.7
313.53961	2.0
317.03302	2.0
319.05072	21.2
319.08374	3.2
321.06744	2.4
325.06860	2.3
330.06378	6.4
333.06415	4.6
349.09698	3.9
361.05869	2.9
367.05164	4.7
367.10577	2.6
377.05295	5.7
391.07602	8.1
409.08871	100.0
410.09030	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	409.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.4
56.89438	2.2
56.96555	19.5
57.03416	2.7
61.02917	3.1
69.03408	5.0
70.16959	7.4
70.17375	3.8
71.05017	2.4
73.02900	3.4
74.97582	2.6
77.00914	4.6
81.03402	2.5
82.99830	3.8
84.95999	3.3
85.02885	10.1
91.05463	2.5
95.01942	2.6
97.02872	5.7
98.97578	13.8
101.00880	21.0
103.02431	2.8
105.00372	2.3
109.01447	2.4
109.02840	3.0
113.00839	6.0
115.02415	10.9
116.98588	14.1
117.03976	3.4
119.01908	82.1
120.02024	3.5
121.01652	5.9
121.03496	4.1
123.04382	3.1
124.00148	2.1
126.88870	2.4
127.02404	6.4
129.03966	3.9
131.01898	51.3
131.99391	2.1
133.01704	2.3
133.03453	31.5
134.99628	7.0
135.05084	3.0
137.02913	13.7
137.04736	3.2
142.03377	2.6
142.96492	4.8
143.01878	62.4
144.02011	3.7
145.03461	76.0
146.03575	4.6
146.99596	7.4
147.01357	7.1
147.03174	5.8
147.04340	6.4
149.02989	11.6
151.04529	4.4
153.03999	3.9
155.01883	35.1
157.03453	26.2
159.01350	4.4
159.05003	6.2
160.97603	4.1
161.02942	100.0
161.50366	2.7
162.03125	4.5
163.04532	15.7
164.04617	2.5
165.04184	2.9
167.01929	5.8
168.99817	8.6
169.03484	8.6
171.01457	11.6
171.05043	15.5
173.02954	71.3
174.77431	2.4
174.99088	7.9
175.00798	2.6
175.03160	2.4
175.04504	16.0
177.00699	2.3
177.02519	2.4
183.01468	4.1
183.05017	7.5
184.04680	6.5
185.02939	29.6
185.06544	3.3
187.00858	21.5
187.02281	3.0
187.03053	2.4
187.04524	20.9
187.06125	4.3
188.97066	11.0
189.00751	4.3
189.02437	23.7
189.06078	3.9
191.02409	3.8
191.04010	19.7
193.00188	12.4
195.05046	5.5
196.04359	3.4
197.02979	7.7
197.06487	3.5
199.00797	13.1
199.04466	8.7
201.00677	2.3
201.02457	11.2
201.06088	7.4
201.07811	2.9
202.98639	2.7
203.03917	21.1
203.05476	2.3
205.00298	2.7
205.05371	2.8
206.98146	4.9
207.01619	2.8
207.03484	8.3
209.02969	4.4
211.01201	2.5
211.04517	26.5
213.02423	10.8
213.06046	8.8
215.00285	12.9
215.03928	6.8
217.01968	29.9
217.05493	4.3
219.01704	5.5
219.03465	8.5
220.99544	2.6
221.03152	4.4
221.05060	19.3
223.04497	10.3
225.02493	4.4
227.04036	3.1
229.01964	5.7
229.05563	10.6
231.03453	26.3
235.01070	3.2
235.06729	4.2
237.02719	8.6
238.02060	2.2
239.03854	7.1
241.05582	3.4
243.03468	6.0
243.07210	3.2
245.04979	10.5
247.02937	5.6
248.03650	3.8
249.04599	5.4
253.01985	4.3
253.05438	2.8
255.03607	5.3
257.04773	5.1
259.03094	13.1
259.06424	2.7
260.99295	2.6
261.04434	3.9
261.08200	2.5
263.06018	7.6
269.05243	3.0
271.03104	4.8
271.06577	21.8
273.04617	4.4
275.02484	12.4
277.07721	3.3
281.05396	5.3
285.04733	2.6
287.05692	9.1
288.98672	5.4
289.04007	51.8
301.03946	21.1
303.00354	2.8
303.05991	4.0
303.09229	37.6
304.09366	2.9
305.06982	7.1
306.05786	6.8
307.05090	67.4
308.05319	5.5
311.05841	2.6
315.05588	5.6
316.98096	5.0
317.02228	3.5
319.05023	21.2
319.08646	10.4
321.10309	2.7
329.06894	3.7
330.06677	6.1
333.06589	9.5
334.05569	2.9
347.08063	14.3
349.06241	3.5
351.12302	2.5
361.05905	3.8
367.11026	2.5
373.06061	25.4
377.05328	5.2
391.07214	25.8
392.07455	3.5
401.11996	2.5
409.08881	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	409.0913
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
69.03404	0.8
70.16805	1.5
71.99753	0.3
79.05444	0.3
81.03371	0.4
81.07005	0.4
85.02872	0.9
91.05408	0.6
93.07008	0.4
95.08562	0.4
98.21462	0.4
103.05429	1.2
110.79234	0.4
115.05428	0.5
117.06960	0.5
119.04918	0.6
123.03592	0.7
123.04420	10.2
131.04918	2.2
133.06516	0.4
135.04379	1.0
137.06004	0.4
145.06386	0.8
147.04422	2.0
147.62088	0.3
149.05968	0.5
155.04922	2.0
157.06509	0.4
159.04344	0.5
161.05946	1.3
163.03856	0.9
173.05974	1.7
175.03813	0.6
183.04344	1.8
187.03900	0.8
189.05432	0.9
199.31123	0.3
201.05441	4.4
202.06192	2.0
203.03377	1.2
207.06516	0.4
213.05461	2.2
215.03372	0.9
217.04874	0.5
228.04128	0.4
229.04935	31.1
230.05588	4.4
239.34586	0.3
245.04373	3.7
247.21054	0.4
257.04413	100.0
258.05109	11.4
259.05865	1.4
269.04465	0.8
271.05933	4.6
285.03815	0.7
287.05469	17.5
288.05826	0.7
299.05630	0.8
310.22003	0.4
391.08173	1.8
409.09143	68.5
409.17093	3.8
410.09378	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	409.0913
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
55.99969	0.3
59.09312	0.3
66.24895	0.3
69.81934	1.2
69.82346	0.6
91.05434	0.8
97.02859	0.4
98.20839	0.5
98.97585	0.4
102.86069	0.3
105.07014	0.3
119.04934	1.9
123.04418	3.7
131.04802	0.4
147.04405	4.0
149.08049	0.3
155.04860	0.8
163.03813	0.5
165.05437	0.5
167.56668	0.3
173.05927	0.4
175.03874	1.7
183.04384	0.6
192.91318	0.3
201.05399	1.6
203.03377	5.6
203.58321	0.3
213.05550	0.3
219.01678	0.3
228.66402	0.3
229.04944	12.8
230.05544	0.8
237.02802	0.7
241.04913	0.6
245.01877	0.4
245.04424	9.0
257.04422	100.0
258.04883	5.8
259.05862	0.4
269.04422	0.7
271.06003	0.8
287.05438	4.6
323.07852	0.7
341.09131	0.6
391.08145	0.8
409.09171	32.9
409.17691	5.4
410.09479	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0915
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
55.01857	0.3
55.05494	0.3
68.99793	0.3
69.50591	2.0
71.49010	0.2
81.03381	0.4
91.05472	1.3
93.07022	0.4
95.04945	0.4
100.11201	0.3
105.07001	0.3
107.04922	0.3
107.35123	0.2
117.07017	0.4
119.04231	0.3
119.04935	2.8
123.03605	0.4
123.04424	5.8
127.03913	0.5
131.04861	0.3
137.05951	0.4
145.06406	0.3
147.04387	4.9
155.04890	0.9
161.05904	0.3
163.03868	0.6
165.05409	0.5
166.15875	0.6
173.05939	0.7
175.03888	1.8
175.05222	0.3
183.04425	0.7
187.03952	0.4
187.07483	0.2
189.05530	0.4
198.21506	0.3
200.40306	0.2
201.05418	1.6
202.06145	0.5
203.03372	6.1
213.05414	1.0
215.03337	0.5
223.37790	0.2
229.04933	14.0
230.05612	1.6
241.04901	0.6
245.04434	14.0
246.04800	0.5
247.06155	0.3
253.04897	0.3
257.04422	100.0
258.04996	6.1
259.06003	0.9
265.05072	0.2
269.04315	1.2
271.05981	1.9
283.05817	0.4
285.03943	0.3
287.05472	8.6
299.05606	0.5
315.04984	0.4
391.08197	1.0
409.09152	49.8
409.35605	1.4
410.09384	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
54.08394	1.0
55.05495	1.3
56.96560	22.9
57.03428	2.5
58.41794	1.0
61.02916	1.5
65.33502	1.2
66.61147	1.1
69.03416	8.4
71.52604	1.4
71.95230	1.4
73.02879	3.7
74.36147	1.1
77.00883	1.3
81.03384	2.4
83.04930	1.3
84.44661	0.9
84.95994	4.3
85.02457	0.9
85.02900	8.1
87.04441	1.6
87.10641	1.2
91.05442	2.3
96.68069	1.2
97.02879	9.2
98.32749	1.1
98.97572	100.0
99.04422	1.2
101.00895	5.5
107.04885	1.6
107.98804	1.1
109.02799	1.6
110.97561	5.5
111.04368	1.3
112.41692	1.2
112.99074	1.5
113.23569	1.2
115.02385	1.4
116.98611	70.8
119.01907	17.0
119.04892	3.0
123.04411	12.3
127.03844	2.8
128.98570	11.3
129.03888	1.2
129.05409	3.0
131.00102	4.2
131.01884	10.2
131.05534	1.7
133.03426	2.3
133.06299	1.0
134.99646	35.6
135.04295	2.1
137.02916	3.5
137.05908	3.5
139.03815	1.5
140.00124	2.6
143.00089	3.0
143.01884	24.7
144.97993	1.2
145.01665	2.0
145.03380	4.0
145.11395	1.2
146.99615	9.0
147.01334	1.1
147.03185	4.0
147.04364	7.4
149.01181	3.2
149.06595	5.5
152.98659	1.2
153.00607	1.6
155.01865	7.4
155.04613	1.3
157.01585	1.4
157.03377	2.6
158.01241	1.6
158.99643	37.0
159.03101	1.4
159.04974	1.4
161.01173	4.9
161.02942	43.5
162.03053	1.1
162.99077	2.5
163.02803	5.7
163.03702	5.4
165.00702	2.7
165.04312	2.7
167.06978	2.1
170.99582	4.6
171.03227	4.0
171.04970	1.7
173.02951	13.9
173.06606	11.8
174.99023	2.0
175.00906	1.1
175.02669	3.0
175.04202	1.8
177.00691	47.5
177.05568	2.2
179.02243	1.7
184.04567	2.7
185.02766	2.0
185.06587	10.6
187.04243	2.0
187.08052	2.8
189.00626	4.7
189.02466	2.5
189.04236	11.5
189.05817	2.1
191.02042	1.8
191.07544	3.8
193.04892	3.5
195.01675	2.8
200.02191	4.8
201.00586	1.8
203.03523	3.8
203.07686	6.5
204.99980	1.4
205.03624	2.3
207.05257	3.3
215.03542	1.2
215.07562	5.0
218.99834	1.3
219.01740	15.4
219.04999	1.4
220.05852	4.6
220.56059	2.2
221.03125	1.1
221.05089	8.6
222.04990	1.1
223.01042	1.6
223.04672	1.6
229.04826	2.7
229.56616	2.1
231.05243	1.4
237.02797	31.0
245.04521	6.0
247.04494	1.7
249.06053	1.5
255.03734	3.8
255.06235	1.9
257.04410	10.7
257.08524	2.4
258.04855	2.5
259.05994	2.1
271.05655	1.4
275.09766	12.5
279.03607	1.6
283.05807	3.9
287.05493	10.5
291.07419	21.5
293.10782	32.8
294.10864	1.9
299.05392	2.3
309.08521	78.8
310.08765	1.3
316.12198	2.1
321.08176	1.4
323.06491	1.9
332.10211	6.3
334.07126	1.6
349.07837	3.5
349.13089	1.3
353.07501	1.6
356.73447	1.4
363.11362	1.7
365.12640	4.8
367.08868	2.7
391.09015	23.9
399.10608	1.4
409.09979	44.2
410.10748	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00156	0.7
55.01871	0.9
57.14837	0.8
68.05007	0.8
68.99790	1.2
70.06577	1.4
70.36148	3.1
70.54934	0.6
71.04956	0.9
79.05481	0.9
81.03396	0.9
81.04525	0.9
82.02933	2.7
82.40918	0.8
85.02905	1.3
91.05461	1.3
96.05617	1.0
103.82471	0.8
110.02403	1.3
114.04717	1.4
114.05515	21.6
119.04952	1.0
123.04411	9.4
124.05046	2.2
126.05444	0.8
135.04446	0.8
137.02351	1.7
138.01843	2.1
142.05017	5.4
147.04379	3.2
149.04576	12.6
151.03897	0.9
152.03461	0.9
155.03384	2.0
163.03897	2.8
166.07233	100.0
167.05609	2.2
167.07295	1.1
169.04945	10.5
174.07616	2.0
175.03854	1.3
177.05458	1.0
180.02867	1.6
184.06068	1.4
187.03900	1.2
193.04985	2.4
203.03378	3.1
206.10358	1.0
212.05669	1.3
215.03365	1.4
216.08775	3.8
217.04909	1.2
229.04948	3.9
230.05650	0.9
234.98898	1.1
244.08200	9.8
245.04477	5.0
247.05981	1.8
255.06155	0.8
257.04425	10.4
258.05093	2.2
259.05997	1.5
271.05887	1.9
283.06064	1.7
283.09912	0.6
287.05475	9.3
298.09247	1.1
299.05325	1.1
373.12955	1.4
391.07925	1.1
391.13525	1.7
409.09189	17.0
409.14676	11.1
410.09451	1.3
431.12570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55259	0.5
55.01864	0.8
57.95319	0.4
68.99788	1.2
69.03425	0.8
70.58647	0.5
71.04510	0.5
71.04839	0.9
81.03419	0.5
81.07043	0.6
85.02879	0.8
91.05456	0.5
107.04940	0.6
109.02898	0.6
118.06555	0.5
119.04939	0.7
123.04413	10.3
135.04393	0.6
137.02371	0.5
139.03879	0.5
147.04391	1.5
151.03917	1.6
156.66161	0.5
161.05977	0.7
163.03879	1.7
175.03922	2.2
177.05484	1.6
185.10678	0.5
187.03938	1.2
188.03790	1.2
189.05527	0.8
193.04944	3.0
196.10013	0.7
197.10477	0.6
198.07864	1.2
199.08681	2.0
200.09381	1.1
201.05437	1.3
201.10280	0.4
203.03365	3.8
210.22836	0.4
211.08670	4.0
212.09425	1.4
213.05446	0.6
213.10207	2.3
215.03473	0.8
215.08418	0.5
215.11693	1.5
217.04935	0.5
217.09743	2.1
223.12323	0.6
224.09373	0.8
225.06606	0.9
225.10165	5.9
226.10873	0.5
227.08203	1.1
227.11740	0.4
229.04927	3.2
229.09784	2.5
230.05791	0.7
231.11218	0.7
238.07349	0.7
239.08138	7.2
239.11710	4.8
240.08885	2.7
241.04868	0.7
241.09692	5.0
241.13383	1.0
242.10460	1.5
243.07578	1.7
243.11270	7.2
245.04443	4.9
247.06020	1.5
252.08887	1.0
253.09683	6.9
254.10381	1.1
255.06355	0.7
255.11043	0.7
256.40149	0.5
257.04456	8.9
257.09009	2.5
257.12897	1.3
258.05029	1.6
258.09927	0.9
259.06070	2.1
259.10693	3.4
267.07623	1.9
267.11261	4.8
268.08411	6.1
269.09113	1.3
269.12817	1.5
271.05984	2.5
271.10745	30.3
272.11203	1.3
273.12381	2.7
275.10184	2.6
277.11850	4.4
281.09131	1.6
282.09988	0.8
283.06015	2.5
284.06244	0.5
285.08731	2.1
285.12314	5.9
286.09332	0.5
286.13062	0.6
287.05475	12.9
287.13907	0.6
289.11923	2.5
295.10739	5.2
297.12219	0.6
299.05533	1.3
299.10416	0.6
299.13693	0.9
300.11020	1.7
303.10043	0.8
303.13449	1.3
313.11777	7.7
317.11526	2.2
318.11923	0.9
323.10220	9.2
327.13342	2.3
331.12967	0.9
335.12314	3.8
336.12897	0.5
341.11279	17.9
342.11765	0.6
345.14374	2.8
347.16132	0.6
349.13907	1.1
354.55435	0.4
355.12808	4.2
359.12396	2.9
373.13907	14.2
377.13156	0.6
391.14957	23.6
392.15298	1.0
409.09290	17.9
409.15979	100.0
410.09518	1.2
410.16290	4.7
413.13693	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
57.96259	0.4
69.03406	0.5
70.46362	1.3
81.07037	0.6
85.02879	0.7
91.05453	0.4
93.07008	0.4
97.02882	0.8
98.97599	0.4
99.03353	0.3
101.69917	0.3
105.07003	0.5
107.04989	0.4
123.04434	2.7
127.03922	0.5
138.05481	0.5
139.03923	0.6
147.04373	0.7
163.03894	2.2
181.07288	0.3
188.03741	3.0
189.04041	2.3
189.05518	0.5
190.03392	0.5
193.04990	0.5
199.08148	0.4
201.06642	0.5
203.03386	0.7
215.03528	0.3
229.04959	0.9
245.04428	1.5
247.05791	1.1
247.07359	0.7
257.04431	4.0
258.05048	0.7
259.06027	1.1
271.05945	0.5
287.05554	2.2
315.07239	1.0
409.10464	6.5
409.18280	100.0
410.10321	0.5
410.18579	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.4
55.01863	9.5
55.05504	15.3
55.60328	0.7
57.03419	4.9
57.07072	13.6
57.13075	0.7
64.01797	0.7
67.05489	3.0
69.03394	0.8
69.07060	28.4
70.97157	1.9
71.08624	10.1
79.05482	1.4
81.03407	11.0
81.07044	4.5
83.08614	17.5
85.10184	5.5
91.05495	0.9
93.07024	1.6
95.08597	6.8
97.10156	11.8
99.04457	1.5
105.06969	1.2
107.08561	2.2
109.02863	24.4
109.10139	4.0
111.11707	5.7
113.05989	1.3
115.03917	9.4
117.70080	0.9
119.08542	1.3
121.06499	0.9
121.10111	0.9
123.04416	2.5
123.11687	2.5
125.05932	0.9
125.13233	3.3
127.03903	100.0
128.04240	2.2
137.13205	1.0
139.14861	1.2
141.05431	5.4
145.04958	1.3
149.09555	0.8
151.07477	1.0
151.11150	0.9
155.07001	2.0
169.08612	5.6
183.10132	14.0
183.11609	1.2
186.15717	0.8
195.10175	3.0
197.11752	5.4
208.17696	0.7
209.11694	2.3
211.13300	5.0
223.13290	2.4
225.14815	4.4
237.14827	3.3
239.16382	5.3
251.16443	3.8
253.17978	7.3
265.18063	4.8
266.18399	0.8
267.19534	3.4
279.19540	4.8
281.21133	3.2
293.21115	2.4
295.22705	2.1
307.22702	1.9
309.24329	4.0
321.24155	1.8
323.25598	1.1
335.25815	2.4
391.32013	24.0
392.32278	2.2
409.33127	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	409.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57904	3.1
53.03934	4.9
55.01865	14.8
55.05266	3.0
55.05506	37.4
57.07069	55.0
60.89330	2.5
63.07104	2.5
67.05489	15.5
69.07062	82.3
69.52763	12.0
69.53185	10.0
71.04992	3.2
71.08628	51.8
74.58823	2.4
75.84511	2.5
79.05458	6.7
81.03428	4.3
81.07043	32.1
83.08610	68.8
85.10184	22.7
91.05455	8.7
93.07040	19.3
95.04927	5.3
95.08607	33.2
97.06507	7.6
97.10164	54.2
97.58144	2.7
99.04419	5.7
105.07009	11.0
107.08589	22.9
109.02843	3.2
109.06516	6.3
109.10149	21.9
111.08038	7.6
111.11693	23.5
115.03932	4.9
119.08562	11.2
121.06499	8.2
121.10110	14.3
123.08054	8.4
123.11667	11.0
125.02345	45.9
125.05951	4.9
125.09637	4.9
125.13243	9.3
127.03905	50.9
127.07536	2.8
131.08553	8.9
133.10106	10.0
135.08012	9.2
135.11681	9.3
137.09619	4.1
137.13261	3.9
139.03876	4.6
139.07515	13.7
139.14767	5.6
141.05426	4.0
143.03381	6.6
145.10023	6.2
147.07936	2.5
147.11664	5.1
149.09598	16.0
149.13226	10.0
151.11163	3.4
153.05450	5.4
155.07056	3.0
159.11674	6.9
161.13231	5.1
163.07512	3.4
163.11163	5.5
163.14816	7.3
165.09085	5.3
165.12752	2.7
167.07010	9.5
169.08565	26.6
173.13329	4.3
175.11160	3.5
177.09085	25.2
177.12759	5.7
177.16327	5.4
179.10686	6.9
181.08536	7.7
183.10156	14.8
187.14830	5.8
191.10631	2.8
191.14221	3.7
193.16037	3.4
195.10170	41.7
197.11771	5.5
201.16357	3.7
209.11708	8.9
211.13277	5.1
215.14288	6.0
215.17857	2.8
219.13976	3.4
223.13278	6.9
229.19508	2.8
237.14697	5.0
247.17021	3.2
251.16400	8.8
253.17950	7.0
261.18460	3.0
265.17993	12.0
267.19440	3.9
279.19516	8.3
293.21149	5.3
303.30322	4.3
307.22638	4.1
317.18729	2.7
317.28265	4.1
321.24185	5.2
327.30411	8.4
331.29926	4.0
335.25632	7.2
345.31525	16.6
355.29916	12.1
363.32559	4.4
373.30951	49.1
374.31488	3.2
391.32010	100.0
392.32272	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	410.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72921	2.3
53.03930	5.6
55.01862	14.3
55.05477	3.9
56.03596	2.4
56.26871	2.3
57.07055	9.5
60.04522	2.3
62.06068	4.7
65.04881	2.0
67.05486	7.5
68.99769	3.9
69.03425	17.2
69.07051	10.9
70.02946	5.6
70.06564	4.7
70.86378	4.6
71.04992	5.2
72.04519	20.5
73.02915	13.3
74.02398	2.8
74.06030	2.8
79.05482	3.3
81.03411	20.8
81.07042	7.1
83.04958	8.8
84.08128	4.5
85.02895	18.6
85.06520	6.8
86.09704	5.3
87.08083	2.8
89.63105	2.6
90.05544	46.7
91.05481	3.8
95.04959	10.0
95.08616	4.3
96.08131	3.3
97.01385	2.6
97.02872	17.0
97.06496	3.4
98.02405	16.6
99.04432	7.6
100.03964	6.4
103.07571	2.9
105.07018	3.4
107.04922	8.5
107.08532	2.9
109.02864	25.3
109.06519	2.2
111.04420	2.4
112.07625	3.3
113.05981	5.4
116.03437	16.6
119.04878	4.3
121.06490	2.8
123.04420	31.6
123.11658	4.1
124.04739	10.9
124.07581	24.6
127.03899	18.4
132.06566	9.8
137.05939	2.5
138.05457	3.8
139.03876	6.3
142.08626	17.2
145.04941	10.3
147.04399	9.7
149.05933	2.6
151.03923	5.7
151.11124	3.6
160.09698	7.9
163.03865	13.5
166.06323	2.3
166.08595	4.9
172.09659	4.6
174.11237	7.9
175.03893	4.3
178.05864	2.3
179.03386	3.9
184.09653	29.5
187.03882	5.1
187.13316	2.4
189.05478	3.8
190.03304	3.2
190.05754	4.0
193.05049	4.0
193.60048	2.6
194.05249	3.0
198.07561	5.9
199.05957	8.2
202.08801	5.5
202.10715	100.0
203.03386	6.0
204.03722	3.6
207.06480	3.5
211.09648	9.9
212.16438	3.0
213.05478	4.3
216.08647	5.4
217.04904	6.8
217.07034	8.3
220.11783	26.8
223.08951	2.4
229.04901	3.5
230.05321	5.0
230.10255	9.3
230.17490	3.6
231.06413	2.9
234.09712	9.6
241.04832	4.1
241.09576	3.5
245.04401	7.0
246.04800	9.0
248.06143	2.9
248.18538	6.2
252.20247	2.5
257.04419	9.3
258.04797	15.3
259.05939	25.3
260.06351	3.1
262.12869	17.5
271.06110	3.3
272.06250	5.6
272.10995	5.2
284.06335	2.9
287.05362	18.4
288.05844	28.2
299.05548	3.5
310.12808	9.2
314.12250	3.0
324.10690	2.5
328.13889	45.4
346.14966	12.1
364.16101	17.3
392.15173	6.9
392.22720	2.6
410.09439	48.4
410.16193	35.0
410.23975	18.6
411.12582	37.1
411.17938	3.5
411.20364	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	411.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79509	0.3
64.44268	0.3
68.73991	0.3
70.01369	0.8
70.01774	1.1
79.05435	0.3
80.63157	0.3
81.07043	0.4
91.05447	1.8
91.05939	0.3
98.21408	0.5
105.07005	0.6
107.38589	0.3
109.10112	0.3
114.81553	0.3
115.05425	0.4
116.06185	0.5
117.07008	0.3
119.08526	0.8
128.06256	0.5
129.06911	1.0
131.08539	0.8
135.08002	0.6
138.06694	0.4
144.05685	1.8
145.05400	0.5
145.06468	7.4
146.07274	0.3
147.28023	0.3
151.07524	2.4
157.06436	0.5
158.07166	0.3
159.08011	4.6
163.07478	0.6
164.08305	0.3
174.06750	1.3
179.10654	4.3
187.07520	24.0
188.08287	11.2
189.08986	1.5
190.06216	2.5
205.08592	0.5
215.07010	1.3
217.15842	1.3
218.05707	1.2
233.08051	100.0
234.08429	5.0
404.60571	0.3
411.17975	40.2
412.18344	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1989
Annotation	diflorasone
Peak:m/z	Relative Intensity
53.03939	0.4
55.01886	0.4
55.05508	0.6
57.03420	0.4
65.03927	0.4
67.05486	1.0
69.03444	1.6
70.06584	0.4
71.04987	4.2
71.52839	0.4
73.87679	0.3
79.05489	0.8
81.03402	1.5
82.43942	0.3
83.04956	0.6
85.02897	1.4
85.06514	0.3
85.70412	0.3
90.84039	0.4
91.05472	1.4
93.07025	0.7
95.04951	1.1
95.08602	0.5
97.02906	0.8
105.07030	0.9
107.08550	0.5
109.02872	1.0
109.06552	0.4
113.05916	0.3
117.07021	0.5
119.04951	0.7
119.08569	0.4
121.02880	0.5
121.06520	0.4
121.10091	0.4
123.04415	1.4
123.11716	0.5
124.07551	0.4
127.03927	2.4
129.06946	0.6
131.04945	0.3
131.07008	0.5
131.08501	0.6
133.10077	0.5
135.04436	0.5
135.08022	0.4
137.05995	1.9
139.03914	1.5
145.10081	0.4
147.04422	1.1
149.09555	0.4
151.03825	0.4
161.06004	1.0
161.09570	0.7
163.03899	1.4
165.05521	2.8
173.05855	0.4
175.07597	0.9
177.05438	0.7
179.06984	0.4
189.05490	0.5
191.07036	0.8
203.07014	0.6
207.06503	0.5
213.12744	0.4
215.06937	0.4
215.88651	0.4
231.06577	0.5
231.13828	1.0
245.08098	1.1
249.14780	0.8
259.06036	1.7
265.58737	0.4
267.14169	0.4
273.07611	0.4
287.05475	0.4
291.16809	0.4
309.15717	0.4
370.94684	0.5
411.19858	100.0
412.20215	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	411.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90819	0.8
55.01846	1.0
55.05497	0.9
56.05022	1.4
57.03416	1.3
58.06589	0.9
67.05499	1.2
68.57674	0.8
69.03407	2.2
69.82475	1.4
69.82873	4.5
70.06563	1.2
71.04980	0.8
73.02902	0.8
73.24681	0.8
79.05466	2.4
81.03402	2.0
81.07056	4.3
82.06570	1.6
84.04471	0.9
85.02903	4.8
91.05453	1.6
93.07024	2.4
95.04948	1.9
96.04482	2.7
96.08117	1.9
97.02870	4.2
97.06514	0.9
98.06066	1.0
105.07026	1.3
107.08574	1.3
108.08113	7.3
109.02858	2.4
109.06490	1.6
110.06028	9.2
110.09673	5.0
111.07987	1.0
117.07021	0.8
119.08582	1.3
120.08128	1.3
121.02884	1.1
121.06496	1.1
121.10123	2.1
122.06020	1.9
122.09656	1.0
123.04385	1.3
124.07580	19.5
125.08369	8.9
126.08318	1.4
126.09153	17.6
127.03910	1.5
131.08577	0.8
133.10121	1.0
134.09634	6.3
135.08028	1.4
136.07578	10.5
137.05939	1.0
137.08354	1.7
138.05487	2.3
138.09131	12.6
146.09502	0.9
148.07523	1.6
149.09532	0.8
152.10699	11.5
153.01784	1.1
156.08044	0.8
159.10454	1.4
159.11731	1.2
161.09599	1.0
162.09117	2.7
163.03928	1.2
164.07047	2.6
164.10744	2.5
166.08630	21.2
167.09312	2.5
172.11082	1.3
173.12009	1.1
174.09190	1.6
175.07570	1.0
176.10631	0.9
181.13373	0.9
185.13554	0.7
186.12766	3.9
188.10664	2.6
188.14354	7.2
190.08595	2.5
202.08658	1.1
202.12358	1.0
204.10178	1.2
204.13818	1.3
214.12296	1.6
216.13916	1.1
218.11789	0.7
227.15466	1.5
230.14159	2.9
231.14949	11.0
232.09695	9.4
232.13333	2.5
233.10280	1.4
246.14958	0.8
249.15993	39.2
250.16202	1.9
255.14931	1.1
259.05774	0.9
263.17505	2.2
268.11813	0.9
273.15955	19.8
291.17017	100.0
292.17258	3.6
297.15875	1.3
315.16983	2.5
339.16751	1.0
357.18066	6.6
375.19073	2.0
393.20209	1.7
411.09836	1.1
411.20074	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	412.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73542	2.4
55.01860	6.9
55.05491	2.6
57.03430	15.6
61.02921	12.7
69.03423	33.4
70.65016	5.2
70.65405	4.7
71.01336	3.6
71.04971	4.6
73.02910	61.0
75.22266	2.7
75.92953	2.1
81.03414	4.5
83.08601	2.6
85.02898	100.0
87.04442	3.1
91.03954	2.8
93.77253	2.8
94.69229	2.5
97.02883	56.3
99.04411	5.2
107.04948	4.4
109.02864	9.8
115.03925	24.8
117.37884	2.3
117.51479	2.8
120.92381	2.6
123.04398	3.4
125.08065	2.7
127.03896	33.7
129.25476	2.5
133.04950	38.9
137.06046	2.5
145.03906	4.8
145.04944	46.7
156.75095	3.2
163.06003	20.1
170.22720	2.4
197.11717	2.9
203.03432	3.2
223.05853	4.2
241.07108	9.1
259.08121	6.4
263.14798	4.8
267.57733	2.5
288.05887	5.1
376.01471	3.1
412.10999	4.9
412.15646	6.7
412.20010	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	412.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
53.88052	0.8
54.84574	1.0
55.01864	7.7
55.05500	4.2
57.03432	19.0
59.04998	2.8
61.02922	15.5
67.05502	1.2
68.67846	0.9
69.03423	34.3
69.46789	7.7
71.01348	4.1
71.04990	7.3
71.63029	0.9
73.02909	82.6
79.05476	1.2
81.03410	6.6
81.07053	1.5
83.08622	4.7
85.02895	100.0
87.04448	5.6
87.34941	0.9
91.03946	4.3
91.05479	2.0
93.07020	1.6
95.04961	1.2
96.04473	1.2
97.02883	60.9
97.06495	1.4
99.04443	5.7
103.03938	3.0
104.12043	0.9
105.07025	1.9
109.02876	9.8
109.10114	1.0
111.04408	1.1
111.08070	2.4
112.70739	1.0
115.03916	26.1
115.81348	0.8
119.08574	1.7
119.55009	1.0
121.06451	1.3
123.04479	1.6
123.08067	1.1
127.03912	27.1
129.09108	1.6
133.04953	32.0
135.08154	1.5
139.07568	2.4
141.09019	1.1
145.04947	50.3
147.04312	1.6
150.07637	4.5
151.07518	1.1
161.09407	1.0
163.06004	20.6
163.07370	1.2
166.08704	1.2
167.10489	1.0
169.08693	1.0
169.12244	1.3
181.05023	1.2
185.41521	1.1
193.04930	1.8
194.38910	1.2
197.11703	2.2
199.06032	1.8
215.12819	1.4
217.07031	1.7
223.06009	5.0
227.12817	1.2
233.13724	1.5
241.07132	7.0
245.13860	2.2
247.92792	1.0
259.08154	7.7
263.14966	2.6
272.55994	1.0
277.09128	1.4
295.10254	2.7
330.39493	1.0
341.28287	1.0
412.20322	1.9
413.17844	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66818	2.4
55.05508	6.4
55.89113	3.1
57.03434	36.7
59.05012	4.4
61.02915	10.6
61.03218	2.3
69.03428	67.2
69.85925	18.9
71.01356	3.3
71.04984	7.1
73.02914	43.6
81.03411	4.7
83.08619	8.6
85.02901	100.0
85.53897	2.9
87.04469	31.2
90.12753	2.9
91.03922	5.5
97.02888	61.1
97.06519	3.5
99.04433	5.2
109.02884	8.5
111.08060	3.3
115.03924	62.0
125.09635	3.0
127.03915	18.9
133.04945	49.5
145.04953	28.9
149.09572	2.7
150.07643	6.6
163.06000	10.1
163.07281	3.0
188.03630	3.9
241.07178	3.4
245.13271	3.2
250.18071	4.5
412.20038	10.9
412.23941	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	412.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	8.9
57.07062	4.5
59.04710	5.4
59.04997	100.0
62.01870	3.1
67.05485	8.9
69.07043	8.4
69.22192	2.7
69.87712	16.9
71.04983	22.4
75.77616	2.8
79.05487	10.2
80.12291	3.1
80.28212	3.2
81.03400	3.5
81.07047	26.0
83.04968	8.5
83.08600	9.5
85.06535	23.1
87.60358	4.0
91.05474	11.7
93.07026	29.0
95.04951	5.1
95.08609	20.4
97.06521	4.6
97.10159	5.2
105.07034	9.3
107.08591	33.1
109.06480	4.9
109.10159	15.4
119.08566	7.1
121.06490	13.9
121.10207	2.9
123.04401	4.7
123.08097	3.5
123.11639	3.4
125.05934	4.6
125.09605	22.6
127.11132	5.2
129.06996	5.4
131.08556	5.8
133.10146	3.6
135.08041	3.2
135.11714	19.5
137.05951	8.9
143.08580	4.0
143.10645	24.3
143.38341	2.8
145.10071	3.6
149.05949	25.1
150.06699	5.2
151.07541	10.7
153.05428	4.2
153.12718	32.9
161.05917	5.7
161.13258	4.3
163.07423	3.1
165.05475	8.6
167.07034	3.6
175.07520	4.5
176.04764	2.9
177.05482	24.0
179.07021	5.9
183.11623	3.2
187.07565	6.6
189.09093	26.1
191.07027	6.4
193.05037	3.2
193.08716	4.2
195.06503	6.5
201.09091	5.6
203.10669	6.4
207.06480	3.2
215.10655	8.9
217.08502	4.6
217.12135	3.9
227.10701	4.4
229.08658	5.1
229.12325	6.2
233.08029	10.2
235.09401	4.8
245.11667	3.4
247.09656	3.7
255.13705	3.1
257.11813	5.2
261.11292	4.7
269.15237	3.0
273.11160	4.6
283.13187	3.5
287.16403	8.4
315.15781	5.5
336.15726	10.7
359.18469	4.5
420.79971	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	412.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.05503	9.4
59.04995	100.0
63.42910	2.1
63.86163	2.2
65.03937	2.8
67.05491	7.9
69.03435	2.9
69.07063	7.2
71.05002	13.0
71.52649	4.2
73.06544	2.7
79.05486	7.2
81.03400	2.4
81.07054	15.7
81.18674	2.5
83.04967	9.7
83.08599	4.8
83.44728	2.1
85.06533	38.5
85.07019	4.1
91.05470	12.3
93.07022	12.2
95.04986	3.0
95.08598	11.6
95.98814	2.4
97.06535	6.4
97.10162	5.5
99.08074	3.9
101.06031	4.7
105.07018	9.2
107.08597	21.4
109.02944	2.4
109.06514	2.3
109.10148	5.9
117.07020	2.8
119.08595	5.9
121.06496	17.5
121.10148	5.4
123.08048	4.8
123.11765	3.3
125.09595	13.8
129.07024	5.9
131.08514	3.0
135.08055	3.5
135.11697	11.1
137.05998	3.3
143.10643	14.3
145.06403	3.2
145.10091	3.8
146.07263	3.0
149.05957	28.3
150.06763	7.4
151.07538	8.2
153.12711	20.3
157.06418	2.7
159.08026	2.7
161.05977	19.3
161.09570	3.4
163.07509	3.8
165.05455	5.0
165.09163	3.2
167.07115	3.9
175.07582	11.8
177.05431	18.3
180.09203	2.4
187.07521	6.9
189.09082	48.4
190.09909	3.6
195.06537	5.0
199.07535	2.6
199.11174	3.5
201.09151	7.9
203.10680	5.5
206.05795	3.1
207.06551	7.6
207.10291	3.3
215.10675	10.9
216.57378	2.6
217.08632	3.9
218.09302	4.8
219.06561	3.8
227.10564	4.2
228.11359	5.2
229.12230	9.5
230.09299	2.8
233.08128	10.6
235.09660	9.7
236.10313	2.6
241.12195	2.5
255.13840	4.5
257.11737	6.2
259.13208	2.5
260.10535	2.7
261.11224	9.5
273.11212	2.9
273.14853	2.8
283.13333	3.4
285.11124	4.6
287.16467	5.1
292.13062	6.3
297.14761	3.8
301.14581	2.9
303.12228	6.7
313.18094	2.7
315.15869	3.1
318.14621	17.7
336.15659	67.1
379.11334	2.6
412.18481	2.9
412.23315	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	412.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01852	1.5
55.05509	4.6
56.05030	4.0
57.03432	0.8
57.07066	1.5
58.88890	0.4
60.04518	2.4
65.03933	0.6
67.05497	10.9
68.05032	0.7
69.03424	4.4
69.07064	3.9
69.23302	3.1
69.23719	0.7
70.06580	0.6
71.04978	2.8
71.08628	0.6
72.08125	0.6
76.21093	0.4
77.03915	0.4
79.05486	13.5
80.05009	3.9
81.03430	2.0
81.05795	2.9
81.07051	11.8
82.06571	5.3
83.04959	0.6
83.08605	2.1
85.06535	1.5
86.06049	0.5
87.04458	2.9
91.05474	6.1
93.07036	22.4
94.05954	0.9
94.06558	18.1
95.04973	3.0
95.08598	20.3
96.08115	3.1
97.06512	4.8
97.10160	1.8
98.06791	0.3
98.09649	0.6
103.05461	0.8
105.04536	0.4
105.06310	0.5
105.07019	11.1
105.71835	0.3
106.06548	0.4
107.07330	2.9
109.10090	0.5
110.08911	0.6
110.09671	11.7
111.08067	13.9
120.08072	0.5
122.09654	35.7
123.08049	23.7
123.09954	0.5
124.94198	0.4
128.10701	40.8
129.11037	0.6
140.10689	100.0
141.09084	8.7
141.11006	1.1
158.11754	8.5
163.51111	0.4
254.24812	1.3
272.25803	6.8
364.32034	1.1
376.32114	1.1
382.33133	3.0
394.33154	11.4
412.34210	6.3
428.52725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91226	4.9
56.96559	15.6
59.24582	4.4
69.03417	10.5
69.32706	11.7
69.33121	36.1
71.83794	6.1
81.03365	5.1
85.02900	25.8
95.89761	6.1
97.02876	8.3
98.97568	79.4
100.28575	4.8
101.00832	5.6
112.99133	7.9
114.99867	5.1
116.35201	4.8
116.98627	32.6
119.01930	13.7
121.01648	7.7
127.03896	9.8
128.98587	9.9
131.00140	12.1
131.01884	6.1
134.99670	9.7
136.06129	26.7
140.02460	5.3
143.00148	12.6
143.01897	10.7
145.03482	5.8
146.99681	7.3
147.04388	7.8
149.01189	9.0
158.99643	15.9
161.01184	22.5
161.02951	21.1
162.04158	9.2
163.03841	7.0
167.01947	5.5
173.01161	5.1
173.02872	5.7
173.04738	8.2
175.04631	8.0
177.00742	13.7
179.02159	5.9
209.03297	12.4
219.01787	15.4
223.04720	6.6
227.04324	14.1
237.02818	21.1
237.93758	5.1
239.04272	9.7
242.08328	5.2
245.05220	11.0
251.04187	8.4
257.03146	5.9
287.05823	5.2
293.05096	7.5
353.07578	49.5
353.11353	17.7
365.04532	5.1
371.08658	39.4
413.03690	6.0
413.08389	100.0
413.13977	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1412
Annotation	t(6)a
Peak:m/z	Relative Intensity
53.18118	0.3
56.05030	0.6
56.55725	0.3
69.03416	0.6
70.66335	0.9
71.04980	0.5
72.43131	0.4
74.05711	0.4
74.06062	2.5
85.02880	1.0
94.04058	0.5
97.02869	0.5
102.05528	1.4
103.44254	0.4
111.04442	0.5
119.03544	2.4
120.06565	8.3
136.06172	100.0
137.04565	1.8
137.06583	0.6
139.11201	0.4
154.32210	0.4
162.04100	60.5
233.15352	0.7
250.53093	0.4
251.13786	0.4
268.10449	1.3
281.09912	47.7
281.66556	0.4
282.10153	1.2
348.13544	0.4
354.99686	0.4
413.14093	7.0
413.22510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.8
53.70087	3.1
55.01860	7.9
55.05519	14.8
57.03408	6.3
59.04976	4.2
62.37352	3.3
65.03911	5.0
66.92385	2.7
67.05495	26.8
69.03429	47.3
69.07055	22.9
70.07781	12.8
71.04981	16.2
73.02888	6.1
79.05482	38.6
80.90818	2.7
81.03413	72.7
81.07047	58.5
83.04974	43.0
85.02896	29.2
85.06522	9.8
85.50432	3.2
91.05470	35.1
92.09874	2.8
93.07042	39.9
95.04954	37.7
95.08588	15.6
96.18514	3.3
97.02888	12.4
97.06512	41.2
98.20850	3.7
99.04461	23.7
101.05940	3.2
103.05466	5.2
105.07021	83.5
107.04933	10.8
107.08599	40.4
109.02870	41.1
109.06501	30.3
109.10131	10.0
111.04412	5.5
111.08068	5.6
113.06001	3.9
115.05451	6.1
117.06999	21.5
119.04923	11.6
119.08567	21.2
121.06492	40.1
121.10126	13.8
123.04409	8.9
123.08015	4.6
123.11726	3.0
125.05975	55.7
127.03921	17.2
127.07538	9.3
128.06140	4.7
129.07002	9.9
130.07770	4.0
131.08582	26.2
133.06494	15.9
133.10106	12.4
135.04402	5.6
135.08000	9.1
135.11681	10.7
136.07544	7.2
137.05960	25.5
137.09653	3.9
139.07481	5.0
141.06969	4.9
143.07016	24.1
143.08507	11.8
144.09331	5.1
145.06459	16.7
145.10115	100.0
146.10605	4.6
147.08066	6.2
147.11636	11.6
149.09573	6.0
151.07545	17.4
151.11137	3.4
154.07751	5.4
155.08516	6.2
157.10071	9.9
158.07266	13.6
159.08018	9.8
159.11699	33.0
161.05997	5.4
161.09613	5.1
161.13223	4.3
163.03897	3.4
163.07506	6.3
163.11154	35.7
164.07010	5.5
165.05466	5.3
165.09062	3.6
167.07019	6.9
169.10129	12.4
171.08025	4.8
171.11638	3.6
172.08817	5.7
173.08296	1.9
173.09612	55.1
175.07483	6.3
177.09119	3.2
177.12685	5.9
179.08607	3.2
181.05098	3.3
187.07565	4.4
187.11166	73.1
189.09126	6.2
189.12686	4.8
191.10623	42.4
197.09579	7.4
199.05945	7.0
200.10802	3.4
205.12227	48.0
209.10020	3.6
209.11679	19.3
215.10667	62.8
217.08633	5.6
217.27393	3.2
219.10069	5.2
231.06558	3.8
233.11713	37.2
233.15338	5.5
248.11044	3.9
249.11153	4.0
250.12585	3.6
251.12729	29.9
282.96005	3.4
303.10513	2.9
306.33810	3.1
315.64517	3.0
328.35495	3.0
335.15137	3.3
359.15097	4.2
377.15628	4.1
395.17178	19.2
395.25620	4.0
396.17560	3.2
413.08331	9.2
413.16437	18.4
413.22305	34.1
413.26837	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	413.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91605	0.2
55.05508	0.4
64.41865	0.2
70.00038	1.5
76.59779	0.3
79.05464	0.4
80.77316	0.2
91.05476	6.2
93.07048	0.9
95.04959	0.7
104.06213	0.7
105.03441	0.3
105.07023	1.1
107.04974	2.3
108.05743	0.8
109.06496	0.4
113.73076	0.3
115.05464	1.3
115.32677	0.2
117.07001	1.5
119.08562	1.7
121.06497	5.1
123.04411	0.8
123.08054	0.7
124.05191	1.3
128.06190	0.3
129.06993	0.8
131.04912	1.2
132.05690	2.2
133.06468	1.0
133.10081	0.3
135.04393	1.2
135.08038	0.7
136.05182	8.8
137.05972	0.5
138.05682	0.5
138.06744	8.7
139.07568	2.3
145.06456	0.4
146.07237	0.4
147.08032	5.8
148.08809	4.7
149.05980	5.3
149.09570	0.4
151.07529	57.4
152.07870	1.2
161.09560	0.3
163.07484	0.4
164.08315	10.8
167.06950	0.3
177.05435	1.8
179.10654	100.0
180.10977	2.6
189.09096	3.6
190.09407	0.3
191.10649	0.6
195.06516	0.7
207.10349	0.3
217.12219	0.3
231.13707	0.3
235.09544	0.5
413.18994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	16.2
57.07060	9.2
63.62360	6.0
65.83632	6.9
67.05488	30.2
69.03406	10.4
69.07051	30.2
70.77613	18.0
79.05463	29.7
81.07047	96.1
83.04966	13.5
83.08613	10.2
91.05465	37.5
93.07035	45.3
95.04959	7.3
95.08591	55.0
97.06522	12.8
105.07024	55.2
105.90424	6.7
107.04926	6.9
107.08570	52.5
109.10155	52.3
117.07012	9.7
119.08589	41.5
121.06483	19.3
121.10143	41.5
122.07127	7.8
123.08051	11.4
123.11685	54.4
129.06978	11.9
131.08540	29.9
133.06526	8.6
133.10117	21.0
135.08031	10.5
135.11659	23.1
137.13225	18.2
143.08575	7.4
145.06500	10.3
145.10135	34.7
146.07314	8.8
147.08046	7.7
147.11646	21.4
149.05975	24.4
149.09589	8.8
149.13254	12.0
150.06734	18.4
151.07547	80.4
151.11203	10.2
159.08057	9.2
159.11652	29.9
160.08778	21.2
161.13232	13.4
163.07388	7.4
163.11157	8.9
163.14816	9.7
164.08347	11.3
165.05414	10.7
165.09071	100.0
173.13260	13.7
175.14787	14.6
176.08220	9.8
177.09067	27.5
177.16370	9.7
179.10640	84.1
183.11594	7.7
187.07487	7.4
187.14806	8.6
188.08244	25.0
189.09059	51.3
190.09874	13.4
191.10658	79.2
193.08588	12.5
195.10020	8.8
199.14856	7.8
201.09058	29.9
201.16344	51.4
202.09814	14.1
203.10555	29.2
203.18047	7.6
205.08543	10.8
205.12083	8.8
207.10106	68.6
214.09828	10.2
215.10693	45.2
216.11331	12.5
217.12291	32.5
219.10193	23.9
219.17429	24.7
221.08125	8.0
229.12173	25.8
231.10071	9.5
241.12157	18.6
243.13809	14.8
245.11671	24.8
247.13246	13.4
254.13107	7.2
257.11664	14.1
259.13272	54.1
269.15289	6.9
275.20111	9.5
353.24771	8.0
377.24719	17.0
395.25787	66.5
413.26743	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
53.96343	5.4
54.76973	4.7
55.05487	14.6
56.13268	4.5
57.07058	6.6
67.05508	26.7
69.07045	23.0
69.07384	5.5
70.01242	6.0
71.04956	6.9
71.24809	7.4
71.25155	8.5
75.13916	4.9
79.05506	28.4
81.07046	56.5
83.04959	5.2
83.08595	11.2
85.06497	5.8
91.05465	37.3
93.07027	40.7
95.08588	56.7
97.06451	6.3
101.47031	5.9
105.07027	58.9
107.08591	44.5
109.06498	8.2
109.10142	39.5
117.07023	11.7
119.08560	31.9
121.06477	9.1
121.10123	28.9
123.08038	10.8
123.11697	40.9
131.08479	30.7
133.06433	8.3
133.10115	18.7
135.04297	6.0
135.08038	13.2
135.11702	14.4
136.05228	6.3
137.13254	10.8
145.06479	8.4
145.10086	33.0
147.08057	8.9
147.11681	17.0
149.05962	23.6
149.09596	6.2
149.13257	9.7
150.06721	16.3
151.07539	76.4
151.11121	10.0
159.07982	6.1
159.11688	26.5
160.08694	11.2
161.06012	8.7
161.13184	11.4
163.14839	10.5
164.08270	20.2
165.09113	100.0
171.08014	6.2
172.08939	5.4
173.13263	10.1
175.07555	11.0
175.14801	18.3
176.08250	11.0
177.09102	17.5
177.16347	8.8
179.10674	92.7
179.14253	8.6
187.14658	7.2
188.08293	10.9
189.09108	30.2
191.10645	73.4
192.07777	7.5
193.08655	6.4
195.08139	7.5
195.10033	9.6
201.09093	35.7
201.16379	56.8
202.09816	15.0
203.10655	23.8
205.08589	10.1
207.10150	84.8
209.09656	8.5
209.11670	6.5
213.08965	6.9
214.09758	12.0
215.10645	44.6
217.12181	17.5
219.17378	16.9
225.09123	6.4
226.10030	7.0
227.10443	13.0
228.11319	8.7
229.12212	32.4
231.10124	7.1
241.12160	23.2
243.13736	16.8
245.11732	18.2
255.13864	9.4
257.11667	14.4
257.18970	5.6
259.13254	44.7
269.15329	10.5
275.20029	11.8
281.15186	8.2
293.15256	5.8
351.23105	8.8
353.24527	6.2
377.24649	29.7
383.25858	7.9
395.25702	72.4
413.26868	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00233	5.2
50.44094	5.5
55.05504	13.4
67.05494	25.5
68.12545	5.1
69.07066	28.0
71.04997	5.8
71.52794	5.1
71.53191	7.7
78.89423	5.0
79.05488	24.6
81.07056	65.6
81.14183	4.7
83.04982	10.3
83.08627	12.5
91.05465	29.9
93.07021	49.9
95.08601	46.5
97.06550	10.6
97.10143	6.4
99.07620	5.5
105.07008	54.4
106.77782	5.1
107.08578	35.6
109.10120	41.1
111.08104	5.3
117.07025	14.0
119.08576	37.3
121.06477	9.3
121.10098	32.2
123.11709	49.5
129.07022	7.4
131.08533	27.2
133.06456	6.6
133.10133	11.4
135.11665	18.2
137.05960	7.6
137.09587	8.6
137.13254	16.5
145.06435	9.3
145.10085	38.3
147.08018	7.4
147.11705	16.1
149.06001	26.5
149.13269	8.4
150.06775	8.9
151.07547	46.3
151.11131	7.4
158.07309	7.8
159.08052	8.5
159.11668	27.6
160.08830	11.4
161.13258	17.0
162.06772	5.9
163.14796	9.1
164.08340	16.2
165.09088	77.7
172.08929	5.3
173.13283	6.6
175.07544	7.8
175.14856	17.5
176.08357	12.5
177.09074	11.9
177.16380	15.4
179.10655	100.0
187.07542	11.1
187.14813	7.8
187.86227	7.0
188.08401	8.4
189.09103	27.8
190.09976	7.4
191.10664	67.0
193.08534	16.1
195.10191	6.6
200.08417	5.9
201.09082	22.5
201.16319	50.5
202.09869	17.4
203.10596	28.0
205.08525	9.0
207.10143	90.0
210.10358	9.9
213.09036	6.2
215.10677	31.4
217.12251	19.6
219.10217	7.4
219.17403	25.4
221.08018	14.5
227.10802	5.3
229.12137	12.5
233.11740	6.0
237.57269	6.0
239.10648	7.0
241.12447	10.7
243.13788	20.9
245.11760	27.3
257.11737	15.1
257.18918	5.5
259.13190	64.2
267.40213	6.3
269.15207	9.8
271.13443	8.7
279.13861	6.8
283.17374	5.6
285.15308	5.5
286.76114	6.4
353.24762	7.7
377.24591	27.0
395.25748	63.3
396.26306	6.4
413.26627	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.05496	4.8
57.07065	3.0
65.03910	1.7
67.05498	13.2
69.07068	8.1
73.71497	1.5
77.51367	1.3
79.05486	10.0
81.07050	32.6
83.05001	1.7
83.08610	4.7
87.52705	1.4
90.81680	1.4
91.05490	11.1
93.07043	14.4
94.06680	1.5
95.08600	19.3
97.06509	3.2
97.10185	3.0
98.21507	3.6
105.07026	18.3
107.04947	5.9
107.08585	13.2
109.06532	1.5
109.10147	13.8
115.05486	1.9
116.06255	2.4
117.07016	6.0
119.08572	14.3
121.06510	12.5
121.10129	9.3
123.11678	10.7
128.06242	1.6
129.06989	3.6
130.07703	1.5
131.08542	11.6
133.06482	4.1
133.10117	7.1
134.03654	2.3
135.04398	5.6
135.08022	5.9
135.10760	1.5
135.11647	7.6
136.05179	3.2
137.05965	5.4
137.13193	3.7
143.08540	2.7
144.05620	1.9
145.06461	7.5
145.10126	12.0
146.07283	2.6
147.08032	5.2
147.11668	7.3
149.05957	7.8
149.09534	2.4
149.13237	5.2
150.06744	5.7
151.07527	43.4
151.11195	3.6
151.67546	1.7
157.10210	1.6
158.07263	2.3
159.08025	5.2
159.11665	7.3
160.08835	38.2
161.05989	3.4
161.09590	4.4
161.13266	3.2
162.06758	2.1
163.03897	3.8
163.07588	2.3
163.11180	1.5
163.14728	1.4
164.08348	5.8
165.05492	8.0
165.09109	30.4
171.08063	2.3
172.08807	1.9
173.09592	1.6
173.13261	2.7
174.06741	3.4
175.07497	3.0
175.14833	6.2
176.08379	11.3
177.09100	6.0
177.12712	1.5
177.16412	3.1
178.09834	1.6
179.07014	3.4
179.10651	24.1
179.14192	2.4
185.09647	2.3
187.07530	1.9
187.14771	3.5
188.08310	5.5
189.09065	10.4
189.16202	1.9
190.09854	3.4
191.10654	100.0
193.08614	6.7
193.15916	2.7
195.10136	3.0
195.13817	1.8
201.09100	7.4
201.16345	12.3
202.09840	3.4
203.10681	8.6
203.17963	1.8
205.08586	1.9
205.12175	2.3
205.15878	2.0
207.10144	16.7
213.60716	1.3
214.10054	1.7
215.10651	12.6
216.11456	1.5
217.12193	4.6
219.10208	1.4
219.17413	5.4
221.07982	2.4
221.11671	3.0
227.10632	2.6
229.12215	10.2
231.13881	2.5
233.08043	3.4
235.16953	2.1
241.12291	4.4
243.13770	4.0
245.11700	5.5
247.13467	1.8
255.13815	3.1
257.11780	4.5
259.13297	11.7
275.19894	2.3
307.16824	1.5
337.21564	1.9
377.24792	7.3
395.25797	19.9
413.26740	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	413.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09773	5.2
55.05488	20.0
57.03424	5.8
57.07055	8.5
59.40189	4.6
67.05496	29.8
67.47491	4.8
69.07063	27.8
69.94510	18.8
79.05476	24.3
81.07047	87.6
83.04989	10.9
83.08604	8.9
85.06548	8.6
91.05455	30.9
93.07048	36.9
95.04927	6.2
95.08607	46.8
105.07016	73.7
107.04932	10.7
107.08561	33.6
109.06502	11.3
109.10150	44.5
117.06998	16.5
119.08570	45.6
121.06476	12.9
121.10117	17.5
123.11725	13.7
129.06990	8.4
130.07715	5.5
131.08556	16.4
133.06451	9.3
133.10106	40.3
135.07999	7.5
135.11668	15.7
137.13181	7.9
142.07819	9.2
143.08549	8.8
145.10094	20.8
147.07999	10.0
147.11671	45.9
149.05952	12.7
149.13228	7.1
151.07516	100.0
157.10161	14.1
159.11679	15.2
161.09560	10.5
161.13260	12.4
165.05438	12.2
165.09123	35.6
167.06978	9.0
173.13248	10.6
175.07532	6.0
175.11165	33.4
175.14769	13.9
177.05426	8.1
177.09119	8.1
179.10616	17.3
185.13275	9.3
188.21860	5.0
189.09108	14.6
189.16466	6.7
190.17151	8.1
191.10649	12.4
193.08546	11.4
201.04019	5.3
201.09059	9.1
201.16336	13.9
203.17903	55.2
205.12115	6.7
215.10649	18.1
217.12236	9.1
217.15825	14.6
218.16750	9.1
227.10660	9.3
245.11641	6.1
255.13725	7.5
297.18423	5.8
335.94250	5.6
339.23114	6.2
351.22922	5.1
382.51285	5.8
395.25607	6.3
413.27020	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3775
Annotation	28-Norurs-12-en-3beta-ol
Peak:m/z	Relative Intensity
51.05388	4.8
55.05509	11.6
57.07062	14.5
64.24937	4.7
67.05494	16.0
69.07064	35.2
69.19457	34.8
69.19878	24.6
71.08618	16.1
76.65380	4.5
79.05488	10.6
81.07057	43.0
82.68929	4.9
82.77776	4.9
83.08597	5.7
85.10152	10.5
91.05460	16.9
93.07023	25.0
95.08614	43.4
96.93309	4.3
105.07032	42.1
107.08576	17.9
109.10141	18.6
111.11678	5.8
117.07014	11.3
119.08582	26.6
121.10149	16.5
123.11679	6.4
131.08583	28.8
133.10094	19.7
135.11673	7.8
137.13231	5.8
143.08562	9.3
145.10103	23.6
147.11673	23.3
149.13312	12.3
157.10130	14.9
158.53546	5.3
158.63544	5.1
159.11682	65.5
161.13243	25.1
171.11667	10.6
173.13252	27.3
175.14859	7.7
177.12714	12.3
185.13287	8.4
187.14792	12.3
199.14812	15.0
201.16367	14.1
213.16386	14.6
213.72888	5.0
215.18015	7.3
227.17952	5.7
231.17444	5.6
241.19403	7.4
255.21048	16.2
296.06503	5.1
353.32202	6.2
395.31885	7.6
395.36734	100.0
396.37146	6.1
402.06680	5.5
402.82391	5.7
413.37766	92.4
414.37979	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	414.139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66164	4.0
53.03927	5.3
55.05494	7.9
56.05019	13.4
60.04528	3.9
65.03922	11.1
67.05502	28.7
68.57920	3.4
69.03411	17.0
70.06583	4.8
70.20574	13.2
77.03925	4.2
77.18146	3.7
79.05476	10.4
81.03416	5.1
81.53782	3.8
83.04975	60.3
84.04491	41.6
84.08160	4.3
85.02889	22.8
86.06062	4.3
87.04403	5.1
89.03899	4.4
89.06044	7.2
93.03402	22.9
93.06992	5.4
95.04935	13.8
96.98859	4.8
97.02830	6.9
102.05535	13.4
103.05445	10.1
105.07009	5.5
107.04940	6.9
109.02864	4.2
111.04430	65.0
115.05460	4.7
117.03365	4.6
120.05585	5.8
120.08056	7.0
121.02840	10.4
121.06425	4.5
123.04408	77.3
123.99535	4.0
127.03860	6.4
129.05498	28.7
131.04913	13.4
132.08003	6.2
133.02837	18.1
135.04422	24.1
136.06158	14.8
139.03896	35.3
143.04913	4.9
145.02888	7.4
148.07521	7.4
149.05968	13.6
150.05486	9.8
151.03871	25.2
152.07062	10.6
157.04926	24.8
158.05998	16.1
159.04410	15.3
160.07503	4.4
161.02306	6.3
161.05937	12.3
162.04176	10.2
162.05489	11.6
163.03876	70.5
164.04417	4.2
164.07166	6.8
165.07817	33.6
166.08652	11.5
175.06030	14.7
176.07066	64.7
177.05460	20.8
178.04898	8.0
178.08621	18.5
179.03358	29.6
179.06934	7.6
179.17430	3.5
180.06522	9.4
181.04950	5.3
186.05461	19.2
187.03859	14.4
189.04167	4.6
194.08110	24.6
197.04491	6.4
204.06558	100.0
205.04999	30.8
205.06750	6.4
220.06146	4.6
222.05693	6.0
222.07626	88.5
223.05978	25.9
224.43124	3.9
225.96608	4.3
240.08707	16.4
240.68901	4.1
248.78532	4.3
252.12244	5.5
266.39209	4.6
276.10678	11.6
353.08640	20.5
396.12897	65.7
397.11356	17.6
414.13864	71.6
414.18686	3.8
415.07321	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	414.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12853	0.4
55.01856	0.6
55.05497	0.6
56.05016	0.4
56.96555	4.0
57.03437	1.0
60.35214	0.4
61.02920	1.0
69.03423	4.8
69.90065	2.4
70.03749	0.4
70.06587	0.4
71.04965	0.5
73.02912	0.8
73.06546	0.7
78.50834	0.4
79.05477	0.4
81.03400	1.9
83.04993	0.5
84.95985	0.8
85.02895	4.9
89.03905	0.5
94.04062	0.7
95.04936	0.4
97.02899	2.4
98.97565	9.6
99.04447	1.0
107.04931	0.4
109.02889	0.9
110.97558	1.4
116.98621	7.4
119.01912	0.7
119.03536	1.3
119.04900	1.1
121.06432	0.5
123.04421	0.8
124.90466	0.4
127.03889	1.4
128.98616	2.8
131.00133	0.4
134.06009	0.5
134.99646	3.7
136.06171	100.0
137.04581	0.7
137.05945	2.5
139.03873	0.5
140.00099	0.4
145.04994	0.7
146.99644	2.5
147.04338	2.7
149.01216	0.7
151.07512	0.7
155.04590	0.9
158.99626	2.6
161.01228	0.8
161.02856	0.8
161.04741	0.5
163.02747	0.4
163.03940	1.1
164.06990	0.4
165.00743	0.7
167.07007	0.6
173.02902	0.4
177.00706	2.6
177.05524	0.5
178.04939	0.6
179.07069	0.6
189.00714	0.5
201.00748	0.5
204.06567	0.4
205.05443	0.5
206.08061	0.5
207.53740	0.4
217.05511	0.7
219.01756	3.8
226.05933	0.4
227.06750	1.9
235.02742	1.7
237.02808	6.2
253.03798	1.3
254.56897	0.4
255.03645	0.6
256.02676	0.4
269.03418	0.5
272.05334	0.5
274.97458	0.5
277.03848	1.4
280.07040	0.5
287.60767	0.8
295.04831	1.4
302.06497	0.7
309.08542	0.9
313.05612	0.5
340.15311	0.6
355.07043	1.6
373.07901	0.5
414.18073	1.9
415.09351	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	414.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.8
57.03429	13.1
59.04992	1.8
61.02923	12.6
63.82607	0.9
69.03423	28.3
71.01344	3.6
71.04975	1.4
71.07870	2.2
73.02912	69.4
77.19099	1.1
81.02978	0.9
81.03402	6.1
81.07033	1.6
82.19650	1.0
82.37554	0.9
85.02899	100.0
85.94526	0.9
87.04441	4.3
91.03970	5.2
91.05481	1.1
93.07015	2.2
94.09689	1.2
95.04949	1.2
95.08585	0.9
97.02887	53.0
98.03226	1.5
99.04424	5.3
103.03915	3.8
105.07027	1.2
107.08610	1.5
109.02849	8.0
115.03922	26.7
119.08573	3.0
121.10127	2.2
123.04409	1.2
123.11650	1.3
127.02962	1.9
127.03905	34.1
131.08546	1.2
133.04955	37.5
133.10075	2.3
137.05925	1.0
145.04947	53.8
146.05283	1.0
147.11626	1.1
150.07616	3.5
163.06010	24.0
167.07034	1.5
175.14821	1.1
190.27971	0.9
192.37791	1.0
193.05040	1.4
199.05983	1.4
217.07089	1.1
223.05978	5.2
234.18533	2.1
241.07011	6.6
252.19574	2.2
253.48170	1.0
259.08224	6.6
265.16360	1.6
295.10196	1.9
354.74280	1.1
380.90631	1.0
389.01309	0.9
396.23868	1.3
399.28894	0.9
414.24869	2.5
415.23270	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	414.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77870	2.3
52.78337	2.0
53.03928	3.6
55.01859	3.8
55.05526	2.7
57.03434	25.8
61.02911	9.8
65.03963	2.2
67.05473	3.1
69.03424	41.8
70.06579	3.1
71.01359	2.5
71.04974	6.1
71.53242	4.8
73.02906	43.4
79.05492	4.2
81.03404	9.4
81.07058	4.4
83.04971	5.0
85.02898	100.0
87.04468	14.0
89.06018	16.3
91.03915	5.2
93.07008	5.5
95.04946	4.2
97.02885	61.4
97.06505	2.7
99.04438	5.9
105.07005	4.0
107.04915	2.3
107.08588	2.7
109.02848	12.1
109.06507	4.1
109.31979	2.3
115.03153	3.5
115.03921	41.1
119.04969	2.6
119.79694	2.1
122.05997	2.2
123.04416	3.6
127.03912	29.4
132.06525	2.9
133.04961	20.6
133.10062	3.1
135.06511	4.5
137.05974	5.9
139.03864	2.1
145.04948	48.5
147.04388	9.3
150.07565	5.2
163.06017	15.2
164.90709	2.5
181.04910	3.8
181.78624	2.7
191.14348	2.8
203.03419	3.2
234.18552	2.6
241.07062	4.3
259.08038	4.9
264.82187	2.3
351.34720	2.5
405.94287	2.8
414.21555	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	415.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05978	9.6
74.15134	3.0
79.86176	3.2
82.36723	2.8
83.37283	2.7
85.02888	6.3
97.02892	3.1
98.21455	4.8
98.97533	5.7
127.03912	3.7
325.28915	3.6
415.09952	100.0
416.10303	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	415.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01859	3.2
56.96560	36.1
57.03435	4.6
61.02912	4.2
63.20383	2.0
63.59695	2.3
69.03415	10.2
70.69724	6.5
71.04974	2.4
73.02911	4.8
81.03410	3.3
84.96024	8.9
85.02891	19.3
86.09705	4.2
87.04464	2.6
97.02872	12.5
97.96777	4.5
98.97578	100.0
102.97015	2.4
103.05462	2.4
107.04964	3.2
108.74607	2.2
109.02869	3.8
110.97553	15.7
112.07581	2.3
115.97823	2.9
116.98615	70.0
119.04927	4.8
119.08598	3.0
123.04430	6.5
127.03931	5.6
128.98601	30.8
130.08617	2.7
131.00159	7.9
131.01826	2.5
134.99634	34.2
135.04436	2.4
136.06169	14.8
137.05948	8.9
137.77193	2.2
139.03888	6.7
143.00197	6.7
146.99629	29.8
147.04408	9.9
149.01254	5.0
152.05640	20.2
153.00696	2.3
155.04657	5.3
158.01283	3.1
158.99655	15.7
161.01218	7.7
163.02740	2.8
163.03963	2.9
165.00737	3.0
167.06981	3.4
170.99693	3.1
177.00687	24.2
177.05429	3.0
179.07004	2.1
186.04384	2.3
189.00731	8.5
191.03818	2.8
193.01758	2.2
195.01759	2.5
197.01247	5.5
201.00670	4.5
211.02815	3.3
211.99847	3.2
213.00664	4.1
218.06244	3.9
219.01735	31.7
226.01546	2.4
227.02209	2.8
227.06741	34.1
227.57008	5.4
235.02785	14.1
236.07317	3.2
237.02779	84.6
238.01524	7.1
241.03812	6.2
245.03235	2.6
251.97719	2.4
253.03772	16.0
255.03836	7.3
256.02579	4.8
260.04471	5.3
269.03342	3.0
271.04910	9.8
277.03745	18.6
279.05487	3.4
280.07013	2.6
295.04779	38.1
295.07507	3.0
302.56641	4.0
307.04959	3.1
313.05991	5.2
316.58902	3.2
318.06488	3.1
333.10037	5.3
337.05862	10.2
344.97919	2.7
355.06979	7.9
362.55563	2.4
367.07062	2.8
373.08002	4.5
379.06982	3.4
406.13165	5.3
415.09521	52.6
433.10034	4.8
439.76782	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	6.7
57.03413	3.4
69.03425	15.2
69.85043	10.9
71.04992	10.8
73.02905	3.4
76.33974	1.9
79.05479	3.2
81.03409	14.4
81.07050	3.0
85.02441	3.0
85.02907	44.4
89.06022	46.9
91.05466	20.1
93.07057	2.9
97.02892	11.4
99.04436	2.6
103.03918	9.0
103.05468	5.1
105.07027	12.4
107.04929	2.5
115.05450	10.4
117.07001	6.7
119.04923	17.1
119.08572	3.3
121.06495	6.0
123.04417	7.4
127.03914	3.1
128.06209	6.8
129.07005	22.3
131.04875	5.4
131.08592	3.0
133.06462	10.7
135.04436	4.5
135.08049	4.8
137.05972	37.8
141.07008	4.2
143.04924	4.4
143.08478	6.5
143.83061	2.2
145.06480	16.3
147.04388	35.0
147.08005	4.8
149.05916	13.3
151.03908	3.0
151.07507	18.5
153.06949	4.6
157.05106	4.4
157.06479	20.5
159.08018	3.4
160.05232	5.3
161.05984	27.7
163.03896	5.4
163.07574	3.8
165.05470	100.0
166.05829	4.9
167.07069	4.4
169.06491	3.7
171.08038	6.7
173.05994	11.9
174.06755	3.1
175.03914	2.3
175.06024	14.5
175.07542	26.3
177.05470	5.3
177.07603	2.0
179.07074	20.7
180.39330	2.2
181.04958	4.8
181.06477	6.0
185.05977	10.9
187.07516	8.3
187.11269	2.7
189.05455	12.3
189.09131	2.7
191.07031	25.9
195.06465	2.8
197.05939	2.1
199.07521	10.5
201.05530	2.9
203.07021	48.4
205.08582	7.7
205.12070	3.1
207.06557	3.6
215.06999	6.0
217.08652	12.9
217.12209	6.8
219.06567	3.3
219.08603	5.3
221.08063	27.8
227.06961	7.7
233.08109	16.1
245.08067	44.5
263.09125	34.2
281.10223	18.5
353.12329	7.3
415.15704	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	415.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82110	4.4
67.05501	7.1
69.03426	14.3
69.32258	27.7
69.32686	16.3
71.05002	8.3
79.05480	9.3
81.07063	6.9
85.02895	15.7
91.05489	14.9
93.07037	9.4
95.04977	5.5
95.08590	5.7
97.02887	7.6
97.06509	6.0
100.09191	5.3
107.05032	5.3
107.08592	7.8
109.10127	5.1
117.07051	6.8
127.03902	5.5
129.07014	10.3
131.08536	10.1
137.05975	81.2
141.06995	8.1
143.01938	7.4
145.10158	6.5
147.04482	9.6
151.07524	10.4
155.08499	6.8
161.02972	15.1
161.06009	18.0
161.09715	8.4
167.07074	6.8
169.06541	5.6
171.07997	5.1
174.06781	7.6
175.07532	8.5
177.05458	5.9
185.09589	11.3
187.07556	4.6
189.09116	7.2
191.07021	6.6
197.09669	13.2
198.06784	17.0
199.07550	15.8
201.09219	10.4
203.03993	6.8
205.08592	6.1
212.08318	8.0
213.09090	31.3
215.10544	5.4
217.08534	11.5
218.08969	13.2
219.10033	10.7
225.09131	11.3
231.10275	8.3
243.10172	29.7
255.10304	6.9
261.11472	6.3
273.11243	81.7
310.12543	4.8
349.13977	5.5
354.14554	8.5
367.15878	5.9
371.07568	13.0
397.16501	100.0
415.18802	20.6
415.24185	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	415.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.0
67.05490	13.9
69.03408	5.4
69.07057	10.0
69.61988	17.4
71.04975	5.4
79.05490	12.2
80.49825	2.4
81.07049	22.9
82.38701	2.4
83.08617	4.4
84.90616	2.2
86.01540	2.5
91.05479	9.8
93.07027	21.1
95.04946	3.2
95.08615	18.2
97.06517	6.6
98.98466	5.8
103.05495	2.8
105.07008	15.3
107.04934	2.5
107.08575	17.0
109.10166	15.0
115.05402	2.9
117.07037	3.3
119.08559	26.8
121.06508	7.2
121.10121	14.3
123.11700	7.2
125.09601	3.6
127.11145	2.8
129.06920	3.9
130.76038	2.5
131.08551	7.0
133.06483	5.0
133.10149	8.2
134.07291	3.6
135.08083	3.0
135.11703	13.6
136.05182	3.7
137.05943	3.3
143.08473	2.6
145.10133	6.5
146.07271	4.6
147.11687	4.4
149.09618	3.0
149.13258	4.7
150.06734	13.2
151.07529	43.9
151.11189	3.7
151.55110	2.6
151.74950	2.4
155.01033	8.5
158.07251	3.2
159.08076	3.6
160.08855	8.8
161.06055	3.6
162.06758	3.0
163.14833	5.0
165.05531	3.4
165.09099	100.0
165.10524	4.7
168.18245	2.4
172.08769	5.9
173.13193	6.2
174.06798	5.1
175.07558	3.9
175.14780	3.7
176.08350	5.6
177.09045	18.3
179.10709	7.1
181.08559	4.4
188.08229	8.7
189.09064	10.9
189.16409	3.3
190.09846	4.6
191.10622	42.0
193.08530	4.3
201.09126	5.6
202.09842	8.5
203.10681	20.6
204.11362	2.6
205.12204	7.2
207.10240	2.8
215.10616	6.1
216.11435	4.2
217.12228	7.0
219.10136	5.1
219.13890	3.1
221.11565	3.2
225.09207	2.9
229.12234	5.1
231.13786	18.6
233.15344	27.2
243.13857	12.1
247.13239	5.1
257.11670	3.8
257.15256	6.8
259.16940	6.6
261.22137	6.7
300.74622	2.9
311.20023	5.9
397.27310	21.0
415.23010	3.0
415.28604	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	415.3565
Annotation	13Z,16Z,19Z,22Z,25Z-octacosapentaenoic acid
Peak:m/z	Relative Intensity
55.05505	10.2
57.07068	15.1
60.87191	1.3
64.26907	1.1
67.05495	8.7
69.03421	1.4
69.07062	22.1
69.81712	6.5
71.04961	1.9
71.08624	11.8
79.05470	4.4
81.07044	16.8
83.08598	9.6
85.02888	1.5
85.10175	6.8
91.05456	4.8
93.07040	8.5
95.04948	2.2
95.08597	19.1
97.06504	1.4
97.10162	7.5
98.20781	1.4
99.04457	2.2
100.80170	1.0
105.07035	9.8
107.08562	9.9
109.06528	1.3
109.10137	9.9
111.11730	2.3
117.06992	1.4
119.08559	15.4
121.06490	64.8
121.10109	7.1
122.06841	1.5
123.08064	1.3
123.11700	5.9
125.13258	1.3
131.08571	5.0
133.10106	11.5
135.08040	3.9
135.11673	4.0
137.13255	1.5
142.07756	1.6
143.08560	5.0
145.10103	11.4
147.08052	4.8
147.11671	5.0
149.09583	2.8
149.13194	2.8
155.08464	1.1
157.10104	6.9
159.11636	11.3
161.09586	20.1
161.13278	5.2
163.11197	3.6
163.14847	1.5
171.11699	3.5
173.13237	5.9
175.11176	5.1
175.14760	2.7
177.09100	1.4
177.12741	1.2
178.18274	1.1
179.10634	3.8
181.12154	1.3
183.11661	1.6
185.13260	2.3
187.11136	2.3
187.14793	3.6
189.16289	1.5
193.12230	1.7
197.13164	2.2
199.14816	4.0
201.16385	1.8
203.14333	1.7
207.13908	2.0
211.14821	1.7
213.16426	1.6
215.14282	2.0
219.13892	1.6
229.19608	1.2
233.15329	1.7
238.31975	1.4
239.17923	1.3
241.19434	1.6
257.19040	2.8
257.22687	1.5
275.19989	1.7
301.28912	3.2
324.88556	1.3
339.30426	6.4
355.33505	4.2
357.31464	6.0
379.33331	2.6
397.34705	13.9
415.35651	100.0
416.36087	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	415.3567
Annotation	13Z,16Z,19Z,22Z,25Z-octacosapentaenoic acid
Peak:m/z	Relative Intensity
51.17822	1.2
53.03930	1.2
55.05513	7.8
55.10918	1.0
57.07071	14.8
67.05511	5.6
67.09283	1.1
69.06726	1.4
69.07063	19.7
69.33472	3.7
69.33887	6.8
71.04989	1.5
71.08626	10.5
79.05479	4.3
81.07041	14.4
83.08612	9.4
85.02922	1.3
85.10175	5.2
86.10442	1.2
91.05469	3.4
93.07021	6.8
95.04932	1.9
95.08601	17.4
97.10155	4.8
99.04444	1.4
105.07015	10.2
107.08588	10.0
109.06540	2.5
109.10155	10.2
111.11694	4.4
117.06987	1.8
119.08554	14.0
121.06494	61.6
121.10120	8.5
123.08070	1.3
123.11702	3.6
123.23626	1.0
131.08543	6.4
133.10129	8.2
135.08060	4.4
135.11684	4.1
137.13231	2.1
143.08553	5.7
145.10118	10.3
147.08031	4.1
147.11661	4.8
149.09612	1.8
149.13312	1.5
157.10127	5.4
159.08070	1.4
159.11664	7.4
161.09607	17.5
161.13243	5.3
163.11143	2.9
163.14772	1.6
167.10660	1.1
171.11705	4.0
173.13254	5.8
175.11188	4.7
175.14873	1.9
177.12633	1.4
179.10699	3.8
183.11711	1.5
185.13222	2.1
187.11153	1.3
187.14836	3.2
189.12726	3.1
189.16356	1.5
197.13300	1.7
199.14806	5.4
201.12819	1.4
201.16437	1.6
203.14384	1.2
205.72569	1.3
207.13782	1.6
213.16344	1.8
215.17947	1.9
228.01309	1.2
233.15344	1.5
239.17960	1.7
241.19412	1.4
257.18924	2.5
257.22617	2.0
272.90958	1.1
275.20016	2.8
295.11407	1.1
301.28973	3.4
339.30490	5.9
355.33545	4.3
357.31488	6.3
379.33383	3.8
397.34674	13.5
415.35675	100.0
416.36136	7.3
432.02917	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99459	1.0
53.03937	2.3
55.01871	1.0
55.05493	0.8
55.64720	0.9
57.06787	1.3
57.07067	25.0
64.01603	0.8
65.03920	2.9
67.05499	4.7
69.03410	3.8
71.04986	1.2
71.07691	1.0
71.08026	1.6
79.05487	5.9
81.03400	7.6
81.05784	1.1
81.07038	1.9
83.04983	2.0
85.02891	7.0
85.06523	3.6
91.05446	0.9
92.04998	3.7
93.05788	0.9
94.06594	0.9
95.04948	1.5
96.08128	3.9
97.02872	4.1
99.04442	1.6
103.07565	0.8
106.06537	42.1
107.04957	2.2
108.08101	85.2
109.02876	4.0
109.08469	1.5
123.04431	1.1
123.06796	8.1
124.07569	34.3
125.08017	1.1
127.03923	2.9
134.04980	1.8
134.05997	28.4
136.07552	16.3
145.04926	1.2
147.04396	1.2
147.62854	1.0
150.05374	1.4
152.07042	100.0
153.07471	1.7
163.03877	7.0
166.24240	0.8
170.08098	52.9
229.10658	3.2
296.11298	1.9
314.12347	3.0
380.16943	3.4
398.18054	17.3
416.19107	75.4
417.19370	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	416.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.3
56.27098	5.2
57.03433	5.4
66.37040	6.1
66.71906	5.0
69.03408	18.2
70.06586	9.6
71.13156	12.4
79.05476	7.2
81.03401	8.2
85.02885	23.5
91.05486	17.0
93.07007	9.3
95.04978	5.9
97.02860	13.0
103.05442	8.7
105.07017	21.7
107.04933	8.4
107.08607	6.6
109.02891	5.9
109.10017	5.4
111.04463	6.5
118.67477	5.3
121.06494	20.3
123.04397	8.5
125.05978	5.4
127.03908	8.1
133.06473	23.9
135.08046	5.7
137.05943	11.0
146.71014	6.6
149.05943	20.0
153.05418	5.5
154.02406	5.3
156.66847	5.6
161.05943	36.9
163.07567	9.6
167.07040	100.0
177.05482	10.6
181.04913	12.6
181.08563	28.0
187.07477	5.4
192.10196	5.2
193.08641	30.0
193.10083	5.2
209.15462	7.0
211.09662	46.6
232.41846	5.7
236.12849	16.7
237.11211	18.3
238.37637	5.1
254.13889	45.2
255.04974	38.9
275.06424	5.0
350.80563	6.1
416.19049	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58964	1.6
57.91205	1.6
60.04515	21.6
65.64308	1.6
70.83276	3.6
91.05469	6.3
100.35870	1.7
102.12342	1.6
110.15461	1.5
115.05405	2.1
121.06499	2.7
136.00012	1.4
136.05177	6.6
138.06772	5.5
139.07503	2.6
144.57315	1.6
147.08066	5.3
148.08803	2.4
149.05949	2.8
151.07523	45.6
161.17165	1.6
164.08264	8.8
179.10649	100.0
180.10979	2.8
219.13739	8.3
251.36751	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.154
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.66723	0.2
52.29396	0.3
53.03939	0.5
55.01868	0.4
62.96893	0.2
65.03936	1.2
67.05511	0.7
69.03431	1.1
69.19599	3.1
78.04706	3.0
79.05483	1.3
80.72585	0.3
81.03415	0.5
81.07054	0.5
82.04197	0.8
85.02892	2.2
87.04472	0.5
91.05483	0.9
93.03402	0.4
93.07047	0.3
94.04204	0.4
95.04950	1.1
97.02892	1.1
97.06512	0.4
98.21500	0.7
103.05444	1.5
105.07039	0.4
106.04176	2.0
107.04962	1.7
108.98358	0.3
109.02889	0.5
110.03677	0.6
111.04404	0.3
115.03922	0.7
115.05447	3.1
117.07006	5.6
119.04874	0.4
121.02869	0.7
121.06403	0.3
121.10114	0.4
123.04417	7.8
124.05212	2.3
125.05974	0.6
127.03908	0.5
127.05418	1.0
129.07016	0.3
131.04877	0.3
131.75545	0.3
133.04939	0.7
134.03624	0.4
135.04462	0.4
137.05998	0.7
138.03127	0.5
142.02618	0.6
144.05682	0.4
145.05359	0.3
145.06473	8.8
145.07632	0.4
147.04430	0.4
147.08032	0.5
149.05934	0.3
151.03874	1.7
152.04703	2.1
153.05486	0.3
155.06024	2.9
159.04449	0.4
161.05925	0.5
163.03894	0.5
165.01845	0.9
165.05527	0.3
167.07027	100.0
168.07364	2.0
171.06465	0.8
173.05971	16.1
174.06383	0.4
175.07506	0.7
177.01845	0.7
177.05482	0.3
181.04942	20.4
182.05304	0.5
183.02896	0.5
187.03795	0.4
189.01736	0.3
191.03415	1.2
191.06938	0.3
200.04718	0.3
201.05463	0.9
205.08621	3.8
205.10382	0.5
219.02924	2.0
231.02849	0.9
233.08063	7.3
233.10400	0.4
234.08394	0.3
235.09628	3.6
261.03928	0.6
266.10187	0.7
277.51123	0.3
285.07550	0.9
297.07635	0.4
339.08615	1.4
387.14362	13.3
388.14532	0.6
399.10593	0.6
417.15390	27.4
418.15762	1.5
434.62595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07071	0.5
53.03923	0.9
55.01858	0.9
55.05503	1.4
57.07076	0.5
57.77746	0.4
62.55530	0.5
65.03935	1.4
66.04716	0.6
67.05487	1.9
69.03439	0.6
69.07052	1.4
69.51306	1.0
69.51717	3.3
71.99790	0.4
78.04697	2.3
79.05482	2.1
79.35074	0.5
80.06242	0.5
81.03391	0.7
81.07050	2.6
82.04214	0.7
83.08598	0.9
85.02908	0.6
89.03960	0.5
90.04691	0.5
91.05457	5.2
93.03390	0.9
93.07030	1.4
95.04949	2.0
95.08587	2.7
97.10139	0.8
99.08059	0.7
103.05442	2.0
105.03380	0.7
105.07039	1.1
106.04173	1.5
107.04942	8.5
107.08598	0.9
108.05738	4.0
109.06506	0.8
109.10167	1.4
115.05455	3.3
117.06980	4.2
121.06507	1.9
121.10143	0.8
123.04430	4.8
123.08043	0.7
123.11709	0.8
124.05173	1.6
125.05977	0.6
129.07004	0.5
131.04915	1.4
131.08519	0.8
132.05634	0.8
133.06445	1.5
133.10133	0.8
135.04399	2.3
135.05286	0.5
135.08037	0.6
135.11673	0.5
136.05186	3.1
137.05963	1.6
137.51303	0.5
139.07550	0.6
145.06471	7.2
146.07181	0.9
147.04382	0.7
147.08018	1.0
148.05165	3.1
149.05965	0.9
151.03952	1.4
151.07524	100.0
152.04637	1.6
152.07848	2.0
155.06013	1.3
159.07924	0.5
161.05937	4.0
162.06712	0.7
163.07475	4.1
165.05513	1.4
165.09084	1.4
166.06250	2.2
167.07018	65.5
168.07352	2.1
171.06584	0.6
172.08789	0.7
173.05980	8.5
174.06561	0.7
175.07571	3.2
176.08305	10.2
177.05470	0.9
177.09079	4.2
179.07005	6.9
181.04939	19.6
181.08553	13.7
182.05333	0.6
188.08321	0.7
189.09145	1.4
191.07031	6.0
192.07750	1.6
195.06441	0.8
201.09187	0.7
205.08583	3.1
207.10129	15.9
207.12062	0.9
208.10550	0.7
219.10120	0.7
221.08073	0.7
231.10086	0.8
233.08025	5.4
235.09659	2.9
251.10953	0.6
279.12265	0.6
283.69800	0.5
308.14038	1.7
318.12537	0.8
319.13269	1.2
335.12711	1.0
339.15802	3.1
349.14325	4.0
350.15176	1.2
367.15253	4.3
381.17084	2.3
387.14288	8.0
399.13953	0.5
399.18015	4.6
399.32489	1.0
417.15289	17.7
417.24814	0.9
417.33606	1.6
418.15540	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.1
69.03423	2.8
69.07068	1.6
69.38978	7.8
69.39382	3.5
85.02894	3.2
85.94670	1.4
93.07044	3.5
94.40002	1.6
95.08572	1.6
98.21466	2.1
103.05529	1.4
107.04947	1.8
107.08589	2.0
121.10055	1.8
124.07574	5.2
127.03914	5.3
140.04929	4.6
146.49699	1.4
154.06525	2.4
155.06036	23.8
156.06389	1.6
165.05481	3.7
166.06558	1.7
167.05981	4.4
167.07253	8.1
168.07068	4.3
169.07587	38.4
170.06018	2.5
179.06009	14.4
180.06683	1.7
181.04951	2.2
181.07590	3.9
182.05920	2.0
182.08415	2.4
183.05540	20.6
183.09207	3.6
184.07596	1.7
185.07085	11.5
193.07607	16.3
195.03734	2.0
195.05527	36.0
196.06302	20.2
197.07085	33.4
198.05502	8.8
201.06496	1.9
207.05434	8.0
208.06413	1.9
209.07054	7.3
210.08000	1.6
211.05045	3.4
211.08604	6.5
212.07164	1.6
213.06580	28.0
221.07103	22.4
223.03108	1.5
223.04893	2.7
225.06561	48.1
227.08119	2.6
229.06076	19.5
237.06604	6.6
238.05281	5.5
238.07388	4.4
239.04488	3.4
239.05742	2.1
239.08110	29.4
239.10359	2.7
241.05992	3.3
243.07626	6.3
249.06598	8.8
252.09357	2.5
253.06090	8.0
255.07501	2.4
256.06229	3.4
257.05606	6.6
261.28198	1.5
265.06082	3.0
267.07617	20.8
269.05670	3.8
271.07123	30.8
277.06079	11.3
283.07114	2.0
285.08670	37.1
287.05365	1.9
294.08450	1.6
295.07074	40.3
312.09512	1.7
313.08148	51.4
313.11740	3.0
331.09207	16.9
340.09213	8.8
354.10617	4.1
358.05771	1.7
358.10275	55.4
372.12033	6.8
382.10458	9.1
400.11322	60.0
418.12335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09876	3.1
52.52431	2.4
55.01858	2.6
57.03416	5.1
60.10629	2.9
65.03944	4.3
67.05494	4.9
69.03420	4.6
69.40257	26.3
71.72961	3.1
75.04473	4.3
78.04694	3.6
79.05479	8.5
81.03392	4.3
81.07024	3.4
85.02899	8.5
85.06505	3.4
91.05460	6.0
95.04960	8.2
103.05457	3.8
105.07040	17.8
107.04947	8.8
107.08558	3.4
109.02853	5.5
109.06522	3.5
115.05441	5.6
116.05756	4.1
117.06976	8.9
123.04401	14.1
127.03888	3.2
131.04901	5.6
133.06494	29.2
137.05995	21.4
145.06471	6.1
146.06841	4.6
149.06017	5.9
150.06750	37.0
156.06337	3.7
163.07526	10.1
165.09105	71.8
167.07027	100.0
168.07368	75.4
173.05968	12.3
174.06310	9.4
175.07477	3.1
177.05316	3.3
181.04921	37.7
182.05273	21.3
187.07361	3.5
191.07089	6.5
192.07376	3.1
205.08594	3.9
206.08952	4.0
209.08170	3.9
221.08049	2.9
221.11639	3.5
233.07953	4.4
234.08382	9.4
236.09981	2.8
239.12767	45.6
243.08932	6.3
249.11339	4.9
256.80902	3.0
388.14578	17.2
401.16000	4.8
418.15799	50.6
443.68060	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.097
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
50.97758	0.2
54.32059	0.2
57.03416	0.5
61.02929	1.4
62.18043	0.2
68.99779	0.9
69.03442	0.5
71.01335	0.4
71.04211	0.4
73.02911	12.2
79.05467	0.4
85.02888	0.4
95.04936	0.3
105.03427	0.4
107.04961	0.5
111.00796	0.5
112.66629	0.2
115.03917	0.8
120.69811	0.2
121.02845	2.7
133.02869	0.6
137.02296	0.8
145.06601	0.3
147.04387	0.8
153.01804	4.2
157.06454	0.5
161.05943	0.3
165.01799	2.0
167.07002	0.5
183.02917	1.0
185.05923	0.7
191.07095	0.5
213.05438	1.3
231.06432	0.8
241.04965	0.9
258.05225	1.4
259.06027	0.3
269.04453	0.2
287.05475	100.0
288.05829	2.9
293.31949	0.2
299.05560	0.4
304.72189	0.2
418.67697	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0968
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
53.03949	0.7
55.01865	1.3
55.05506	1.3
57.03426	1.4
61.02944	2.5
61.48159	0.5
62.75048	0.4
65.03922	1.3
67.05493	1.7
69.03417	3.0
69.07053	1.6
70.05883	1.0
70.06234	2.1
71.04976	1.7
73.02508	0.7
73.02912	11.4
79.05460	1.2
81.03407	0.9
81.07040	2.3
83.04965	1.8
85.02435	0.5
85.02885	3.2
85.06532	1.2
91.05467	1.8
93.07030	2.2
95.04968	1.2
95.08614	2.6
97.02867	1.1
97.06544	0.9
103.05428	0.9
105.07003	1.5
107.04935	2.3
107.08588	2.0
109.02849	1.3
109.10144	1.8
111.00771	1.1
111.08062	0.6
111.50416	0.5
115.03930	1.3
115.05396	0.8
119.04934	2.0
119.08563	0.9
120.98200	0.5
121.02860	6.7
121.06496	0.8
121.10136	1.8
121.98743	0.5
123.04422	2.0
123.11691	0.7
124.07592	0.6
125.09658	1.1
127.03886	1.3
129.05397	0.9
129.07018	0.6
131.04916	1.5
131.08572	1.0
133.02855	0.9
133.10138	1.0
135.04349	1.1
135.11707	0.8
136.99962	0.5
137.02310	1.8
137.05986	1.2
137.13313	0.5
139.07545	0.6
139.11198	1.0
141.07059	0.5
145.06403	0.9
147.04405	2.2
149.13272	0.7
153.01842	4.8
153.12746	1.1
157.06493	0.9
159.08022	0.9
159.11714	0.7
161.06042	1.2
161.13258	0.6
163.03854	1.5
165.01820	2.1
167.07036	3.2
168.07397	1.1
168.71233	0.5
171.13770	0.7
173.05971	1.2
175.03873	0.9
177.05492	0.7
181.05011	2.9
181.06380	0.7
183.02863	1.0
183.06581	1.0
185.05956	0.7
187.07599	1.0
193.04837	0.9
213.05486	1.5
221.18933	0.5
229.05022	0.6
231.06541	1.1
237.12267	0.6
239.20007	1.0
245.04253	0.6
249.11093	0.9
258.05209	1.7
259.06100	0.7
268.27603	0.5
269.04446	0.8
269.07635	0.5
271.05869	0.6
286.04620	0.9
287.05484	100.0
288.05841	2.2
299.05463	7.2
300.06000	0.9
311.05347	1.1
313.07022	2.0
313.10388	1.0
315.08466	1.1
325.06937	1.8
327.08789	0.7
329.06644	5.6
329.10330	1.2
330.10855	1.6
337.06964	1.3
341.06598	0.6
344.12473	2.4
353.06451	4.2
359.07635	0.8
365.06537	1.5
383.07614	6.8
401.08557	2.2
401.16110	1.7
419.09314	5.7
419.18802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.8
55.01869	1.8
67.14796	1.6
69.03416	4.3
69.20311	16.9
69.37305	1.6
70.06571	4.7
71.04960	2.4
79.05486	2.2
81.03397	4.8
81.07053	2.7
83.04971	1.4
83.49960	1.7
84.43317	1.4
85.02909	9.1
89.06025	12.4
91.05466	3.8
93.07029	2.3
95.04967	4.0
97.02873	6.3
99.04480	1.9
103.03924	3.2
105.07017	2.8
107.04963	4.4
107.08566	1.9
109.02885	3.5
111.04469	2.4
119.04961	4.1
123.04412	7.6
125.09708	1.8
126.03079	3.0
127.03895	6.4
131.04950	2.2
133.06483	1.7
135.04382	1.9
135.08064	2.0
137.05965	10.1
141.05455	100.0
142.05743	2.0
145.04877	2.1
147.04373	6.4
149.06079	2.3
151.03973	2.0
151.07510	1.8
153.05455	6.8
161.05984	2.5
163.03957	2.0
165.05478	12.7
165.06801	3.0
167.07033	12.4
177.05473	2.4
179.07085	2.2
183.06555	12.9
188.03691	2.1
189.05470	2.2
191.06989	2.8
192.10158	3.8
207.06514	6.7
212.74925	1.8
231.06538	3.9
249.07547	4.7
252.07726	2.1
255.06473	1.9
269.08127	2.4
295.09607	1.9
313.10751	2.8
330.10883	15.2
344.12430	7.5
345.13379	4.7
419.07495	2.6
419.18326	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	419.1697
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
53.03926	2.8
55.01866	7.6
55.16066	2.9
57.03411	3.7
64.44469	2.9
67.05490	5.4
69.71762	20.2
71.04987	3.3
72.00033	2.7
73.02889	9.4
75.98907	2.7
78.04702	4.5
79.05507	14.0
81.07026	6.4
85.02850	2.9
91.05485	14.6
93.07029	4.5
95.04945	7.6
98.21640	3.0
103.05444	4.0
105.07016	6.4
106.04129	3.1
107.04958	25.9
109.06499	3.1
111.04448	4.1
115.05452	5.0
117.07013	5.1
117.31796	2.9
119.04858	2.9
119.08557	4.2
121.02843	3.5
121.10151	4.2
123.04419	21.5
124.05183	6.4
125.05946	3.1
128.06209	6.0
129.06973	12.9
131.04897	5.1
131.08578	15.3
133.06439	5.2
133.10115	3.6
137.02353	3.0
137.05942	8.3
140.04662	3.3
141.06978	8.5
144.05676	11.1
145.06470	9.1
147.04422	4.4
151.03912	4.9
151.15138	3.7
153.01704	4.0
157.06496	7.9
159.08029	21.1
160.05183	4.7
161.05940	10.9
161.13158	2.9
166.69856	2.8
167.05620	6.3
167.07024	85.9
170.07242	7.2
171.07939	4.4
173.05917	6.4
174.06705	3.1
177.05446	8.4
178.07608	3.5
181.04964	12.4
183.06523	30.8
183.49728	2.8
187.07518	18.2
189.05431	3.3
189.09077	7.1
191.06969	7.3
191.08565	4.0
193.08643	6.7
199.07504	4.5
202.06128	3.6
202.07741	3.6
203.06908	6.1
203.08636	5.1
204.07806	8.2
205.06567	6.4
205.08536	6.9
206.07329	5.5
207.09959	3.9
209.08095	11.6
217.08626	9.0
218.07246	6.0
219.07997	14.0
219.10143	23.2
220.08807	4.2
221.06064	3.6
221.08003	8.8
231.08109	4.7
231.10120	6.5
234.06670	5.5
235.07503	7.9
236.08372	3.9
246.06732	4.5
247.07510	9.0
247.09824	4.6
248.08353	11.2
249.08760	7.8
249.11195	96.8
251.06908	3.0
251.10631	3.9
259.07385	3.8
261.09048	3.5
263.07007	7.9
263.10434	3.7
264.07834	7.1
265.08527	8.0
273.95062	2.9
275.07068	7.5
276.07764	7.5
277.08530	13.4
279.10129	11.5
287.05463	100.0
288.05762	5.1
291.06683	3.5
291.10046	5.2
292.07266	4.7
293.08014	7.5
295.09653	8.2
307.09677	19.1
308.10165	6.1
309.10974	6.2
311.12787	9.3
315.08847	3.7
319.09647	5.6
324.09958	4.6
330.10944	6.4
337.10559	7.2
338.12018	3.3
343.11642	5.8
351.12213	5.2
355.11807	5.9
369.13290	57.9
371.14828	5.0
379.05148	3.0
383.15051	3.3
387.14377	4.7
389.16055	14.9
401.15958	69.8
402.15924	4.3
419.12939	6.6
442.76602	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	419.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80024	5.8
53.03950	7.8
54.87835	5.9
55.01859	11.4
63.47956	6.0
67.05505	15.1
69.03426	10.8
69.46268	57.5
71.04993	9.6
79.05498	30.6
81.03413	15.3
81.07045	22.3
85.02898	18.5
85.06524	8.2
89.24976	6.3
91.05479	15.7
93.07020	12.5
95.04985	8.8
95.08602	16.7
97.02899	7.1
97.06526	6.7
103.05468	9.7
105.01857	7.4
105.06992	17.0
107.04941	26.0
107.08644	10.6
109.10145	8.9
110.48627	7.4
115.05447	13.0
117.06998	11.1
121.06496	6.8
121.10118	11.7
123.04416	15.9
125.05997	10.9
125.09641	7.3
127.03949	9.5
128.06197	6.5
131.04932	9.7
131.08553	15.1
132.07062	6.7
133.06500	17.8
135.07994	6.4
137.05995	12.4
144.05708	9.2
145.06467	19.3
147.04451	7.6
150.53229	6.5
153.05458	7.7
159.08095	15.7
161.06017	15.2
162.06317	11.5
163.03934	10.2
167.07025	100.0
167.10738	8.4
168.07384	22.4
169.07701	9.5
173.05965	24.3
175.07529	9.5
177.05490	16.1
180.07724	7.5
181.04909	48.0
181.08485	11.5
182.05409	6.7
183.06551	9.9
190.06232	8.3
191.06963	14.8
193.08554	14.9
203.06874	7.5
205.08614	33.6
207.06442	9.2
208.05176	17.7
209.08092	17.9
217.08566	23.5
219.10153	10.6
224.04359	7.3
230.34853	6.4
236.04698	7.3
247.09752	15.2
254.05640	12.8
269.08060	17.7
271.09555	7.4
275.07269	7.8
287.05563	33.4
307.09573	10.0
315.08618	59.1
330.11005	80.3
331.11224	8.0
343.11508	8.5
351.12173	12.6
369.13297	8.8
383.14487	14.7
401.15851	15.7
419.19006	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.0
53.37836	2.6
55.01860	6.4
57.03436	2.7
61.86167	2.4
65.03927	4.9
67.05487	6.3
69.03413	9.8
69.21453	28.2
69.21852	6.4
79.05482	17.0
81.03386	6.2
81.07037	7.9
85.02885	11.6
91.05468	11.3
93.07042	4.6
95.04959	19.6
95.08585	9.3
97.02891	2.9
97.06515	3.7
103.05485	5.9
105.07022	7.4
107.04946	29.9
107.08562	4.1
109.02831	5.5
109.06512	5.2
113.09595	3.5
115.05442	6.0
117.06992	7.3
121.02902	3.0
121.06516	4.5
123.04399	21.6
124.05225	6.0
125.05922	3.7
127.03886	6.8
128.06226	10.4
129.06978	9.1
131.04927	4.7
131.08521	9.9
132.38045	2.7
133.02864	3.6
133.06525	3.7
135.11742	2.7
137.05940	7.9
140.04698	7.1
141.06973	9.5
142.07765	5.8
143.08514	5.0
144.05682	13.2
145.06474	8.8
151.03889	11.0
153.05464	5.7
153.06969	3.4
153.12772	12.5
155.05972	6.2
155.07057	7.8
156.05661	6.5
157.06451	8.4
158.07210	2.7
159.08028	27.0
161.05968	7.9
163.03905	2.8
163.07610	3.8
167.07042	58.7
168.07350	3.2
169.06369	3.5
170.07240	27.0
171.08040	6.7
173.05962	8.9
174.06702	4.0
175.07570	8.3
177.05458	7.5
177.09064	3.5
181.04973	4.3
182.02795	2.6
183.06537	29.7
184.93835	2.7
185.05978	3.6
187.07541	24.6
189.05457	6.1
189.09099	6.5
193.08575	3.1
198.06726	6.1
199.07533	3.7
201.05402	5.1
202.06232	3.9
203.06973	18.1
205.06477	3.4
205.08569	4.5
206.07280	4.4
209.07994	4.3
216.07764	11.3
217.08607	30.8
218.07407	5.0
218.09320	17.9
219.08022	9.8
219.10100	62.0
221.09717	3.7
231.08047	4.4
231.10103	42.9
234.06670	5.5
235.07549	5.4
235.09749	2.9
236.08180	3.4
246.06738	3.7
247.07538	11.3
247.09737	3.5
248.08315	7.3
249.05566	3.2
249.09004	5.8
249.11247	12.1
251.07379	2.5
258.07043	2.4
261.08850	3.9
263.07028	6.2
263.10724	5.2
264.07773	9.3
265.08524	4.4
276.07681	6.1
277.08566	11.2
279.10144	9.5
281.08102	3.6
287.05469	18.0
290.09879	2.8
291.06754	3.9
291.10208	8.2
292.07172	3.1
293.07950	6.1
294.08844	4.0
295.09531	2.9
305.08151	3.5
307.09521	15.9
308.10330	3.4
309.11133	7.1
311.12714	5.6
323.09042	4.4
323.12582	4.2
336.09576	3.1
337.10779	14.2
338.11411	3.4
339.12201	6.9
341.13824	4.2
351.12326	6.1
352.32388	2.3
362.00253	3.3
369.13315	55.4
370.13986	3.9
371.14874	5.2
389.15945	14.3
400.95078	2.6
401.10583	5.7
401.15903	100.0
402.16431	3.8
419.15271	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	419.1698
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
53.03931	5.8
55.01624	3.6
55.01868	42.5
55.05490	3.2
57.03404	2.8
57.07087	2.8
64.88110	2.2
65.03914	11.0
67.05484	9.6
69.03412	3.4
69.07048	6.7
71.53282	4.6
78.04707	3.6
79.05467	15.7
81.00265	2.5
81.03373	5.2
81.07035	12.8
82.04186	3.7
85.02908	13.1
85.06511	5.5
91.05486	13.9
93.03413	4.2
93.07012	8.9
95.04949	10.7
95.08569	8.5
97.06499	7.7
103.05466	23.1
105.07021	22.3
107.04945	20.4
107.08566	7.5
109.02872	5.2
109.10135	4.3
110.03609	4.4
111.04417	3.3
113.09616	2.9
115.05435	7.5
117.06992	5.4
118.04159	6.0
119.04907	4.0
119.08551	9.4
121.06486	7.9
121.10095	5.6
123.04418	17.7
124.05148	4.3
125.06007	3.5
127.03848	3.2
128.06143	4.4
129.06946	5.0
131.04892	15.9
131.08568	6.7
133.02855	4.1
133.06482	14.2
133.10098	5.9
135.04404	2.8
135.07954	2.7
135.11664	7.6
137.05956	7.3
139.55844	2.8
141.06918	3.0
142.02568	3.9
144.05666	7.7
145.06422	4.1
147.04486	5.0
147.11685	2.9
148.05170	10.7
149.05939	16.9
151.03853	3.9
151.07462	3.8
153.05479	2.9
155.06958	5.4
157.06520	5.1
159.08041	10.4
159.11687	3.5
161.05954	12.8
163.07451	15.9
165.05495	3.4
167.07031	90.7
168.07390	9.5
169.07574	6.5
171.06509	8.7
172.05237	3.6
173.05901	5.9
175.07556	5.2
175.11110	3.0
177.05450	45.8
181.04932	100.0
181.08501	3.1
182.05251	4.0
183.06599	13.4
187.07513	11.7
191.07004	82.7
193.08580	11.4
203.08609	3.9
205.08540	11.1
209.06041	3.9
209.08061	75.1
217.08560	6.4
218.07346	3.8
219.10136	12.6
221.08075	6.6
221.18886	4.4
231.10193	4.0
235.09554	3.5
247.07475	4.5
247.09706	6.2
249.11223	27.2
263.07043	3.9
264.07803	4.3
265.10730	3.8
281.07944	2.7
293.08075	3.2
307.09396	7.0
337.10904	3.2
343.11682	3.3
369.13113	15.1
389.15579	5.7
401.15930	25.8
401.26950	3.1
419.16962	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	419.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01173	1.9
55.01868	47.8
57.03426	2.8
65.03938	7.6
67.05502	7.7
69.03410	3.1
69.07076	3.1
71.37039	3.9
78.04707	2.4
79.05489	12.8
79.32991	2.2
80.79722	2.2
81.03410	4.7
81.07047	6.5
82.04192	4.5
85.02890	9.2
91.05482	11.3
93.03429	3.9
93.07035	6.8
95.04954	8.9
95.08570	3.8
97.02934	2.3
97.06486	4.8
103.05460	31.7
103.12614	2.0
105.07056	18.3
107.04942	17.9
107.08586	5.3
109.02840	3.7
109.06514	2.6
109.10144	2.9
110.03665	6.7
111.04434	3.5
112.67216	2.2
113.09562	2.0
115.05428	8.8
117.07030	4.1
118.04174	4.7
119.04937	4.7
119.08559	2.8
121.06499	5.4
123.04421	10.2
124.05255	4.4
125.06004	5.6
129.06973	7.0
130.04085	2.8
131.04904	23.6
131.08542	9.8
133.02821	2.7
133.06480	12.5
133.10162	2.6
135.11699	2.3
137.05949	4.9
138.03023	2.1
142.02580	4.4
144.05670	4.9
145.06512	3.6
147.04413	2.3
147.11617	2.5
148.05171	7.6
149.06013	15.5
151.03906	3.7
151.07506	2.3
153.05461	4.4
155.06990	4.0
159.08061	12.0
161.05991	15.7
163.07552	17.0
167.07034	80.2
168.07390	3.4
169.07637	3.6
171.06516	9.9
172.05196	2.9
173.05945	5.8
175.07553	4.2
177.05467	50.8
177.06905	4.2
180.17506	2.3
181.04948	100.0
183.06546	7.8
187.07497	12.4
189.05391	2.9
191.07022	96.7
192.07486	5.0
193.08632	9.6
204.07915	3.8
205.08540	11.4
209.08078	82.8
217.08649	2.5
218.07240	2.9
218.09274	2.6
219.08109	4.4
219.10164	15.6
221.07996	3.8
235.09717	2.9
246.51915	2.3
247.07484	5.1
247.09697	8.6
248.08359	2.5
249.09033	3.6
249.11266	32.2
252.82222	2.4
261.09033	2.6
265.10730	6.9
279.10062	4.3
291.10068	3.9
307.09534	6.5
311.18997	2.1
327.94745	2.3
330.11038	3.0
351.12283	3.4
369.13388	16.0
371.14868	3.5
383.14996	3.0
389.15671	4.3
399.88852	2.2
401.15857	20.3
410.59476	2.6
419.16632	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	419.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53497	1.3
53.03944	3.4
54.31181	1.3
55.01868	45.2
55.05515	1.9
56.60011	1.7
63.54041	1.4
65.03932	12.1
67.05490	5.3
69.03421	3.3
69.07062	3.1
69.55295	2.8
69.55699	8.0
71.04984	1.3
78.04685	3.1
79.02273	1.4
79.05490	12.3
81.03390	3.6
81.07047	5.5
82.04188	4.0
83.04955	2.7
85.02894	6.7
85.06525	2.6
91.05489	10.1
92.06232	1.5
93.03371	2.1
93.07032	5.7
94.54045	1.3
95.04966	7.3
95.08608	3.5
97.06496	3.6
98.90012	1.4
103.05457	22.6
105.07029	19.0
107.04961	13.9
107.08582	5.0
108.02055	2.0
109.02878	2.2
109.06506	2.3
109.10148	3.0
110.03633	3.6
111.04461	2.7
115.05431	6.7
116.06198	1.4
117.03368	1.6
117.07014	5.6
117.42692	1.4
118.04144	5.6
119.04881	2.5
119.08578	5.3
121.06511	7.8
121.10129	2.3
123.04421	11.1
123.11697	1.7
124.05194	3.9
125.05989	4.6
129.07021	4.3
131.04926	24.8
131.08562	4.2
133.02875	2.6
133.06505	10.9
133.10136	2.6
135.04378	2.3
135.08051	2.4
135.11693	3.9
137.05954	2.7
138.03114	4.6
140.04715	1.9
141.07025	2.1
142.02612	3.5
144.05696	5.2
145.06454	4.7
147.04407	3.5
148.05191	10.8
149.05968	15.5
151.03847	2.5
151.07622	1.6
153.01840	3.3
153.05461	4.3
155.07047	2.6
157.06456	1.7
159.04390	3.0
159.08075	6.9
160.05148	2.4
161.05942	16.0
161.13245	1.8
162.03326	1.6
163.03947	2.9
163.07523	18.4
165.54262	1.5
167.07028	68.7
168.07423	7.3
169.07587	3.3
171.06511	5.3
171.07896	1.3
172.05147	1.6
173.05968	8.0
174.06584	1.5
175.07571	2.1
176.04605	2.7
177.05464	38.1
178.05917	2.1
181.04942	100.0
181.08464	2.9
182.05281	4.5
183.06625	9.6
187.07545	8.4
189.05357	1.8
191.07016	78.3
193.08601	9.9
203.18001	2.0
204.07758	1.5
205.08528	11.1
207.10075	1.9
209.08080	76.7
215.07071	2.7
217.08595	3.4
219.08232	2.6
219.10197	7.9
221.19026	2.9
222.08415	1.6
235.07545	1.8
235.09621	3.2
239.20053	3.0
247.07536	1.8
247.09615	8.3
249.08966	2.3
249.11209	14.4
257.08054	6.7
261.09039	2.0
265.10608	5.8
277.08517	1.9
279.10114	1.6
292.07440	2.1
293.08179	1.8
295.09641	2.0
307.09460	2.5
323.09216	1.9
323.12888	2.1
330.11221	1.6
337.10635	1.7
351.12097	2.6
369.13300	10.2
371.14847	2.3
383.14780	2.7
389.15622	4.4
401.15915	14.2
419.16791	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.01867	42.6
55.05515	2.5
57.07063	6.5
65.03941	13.4
67.05503	9.9
68.99784	2.7
69.03423	6.5
69.07051	4.1
69.60136	2.0
69.66863	1.5
70.32645	6.3
78.04695	2.5
79.05473	11.8
81.03401	5.4
81.07051	9.1
82.04203	3.6
85.02876	15.2
85.06538	3.7
87.00801	2.7
91.05481	14.0
93.03398	4.6
93.07030	7.8
94.09695	1.8
95.04960	11.7
95.08601	8.3
97.02894	3.9
97.06540	5.8
99.04440	2.4
101.91955	1.8
103.05462	26.1
104.98515	1.6
105.01865	1.7
105.07024	17.1
106.04189	3.3
107.04931	18.4
107.08602	5.3
109.02839	5.0
109.06520	6.1
109.10174	3.4
110.03654	3.9
111.04417	2.7
115.05447	6.0
116.06219	2.2
117.07016	4.8
118.04144	6.7
119.04886	2.2
119.08595	3.5
121.06508	7.7
121.10119	4.8
123.04441	10.5
124.05138	3.8
125.05998	5.2
127.03924	5.6
129.07013	5.4
131.04907	19.7
131.08563	9.2
133.02893	3.6
133.06422	13.7
135.04431	1.9
135.08057	2.1
135.11713	3.7
137.05965	3.9
137.13237	3.1
138.03098	3.0
139.11197	2.1
140.04645	2.2
141.06987	3.4
142.02580	4.2
144.05692	7.9
145.06465	6.6
146.03662	3.2
147.04472	3.3
147.08035	2.9
148.05128	9.9
149.05975	15.6
151.03831	2.9
151.07561	3.2
151.11131	1.9
153.05502	4.5
153.12746	14.5
155.07129	2.7
157.06500	3.4
159.08041	11.5
160.05251	1.8
161.05963	16.9
161.13301	2.4
163.03928	2.5
163.07541	19.8
165.05392	3.0
167.07024	77.1
168.07355	4.5
169.07689	3.1
171.06519	6.5
171.07947	2.4
172.05191	2.5
173.05951	4.3
173.09593	3.0
173.13278	2.0
174.06290	1.8
175.07567	3.2
176.04688	3.0
177.05466	44.5
179.07045	1.7
181.04939	100.0
181.08507	4.2
182.05299	5.0
183.06563	9.1
187.07489	8.4
190.06032	2.0
191.07007	83.1
192.07445	2.3
193.08621	10.5
204.07811	3.6
205.06821	2.1
205.08580	11.9
207.06544	2.3
207.10114	2.0
209.08067	78.2
210.08492	3.4
217.08597	4.4
218.09361	2.4
219.08051	5.6
219.10181	9.3
221.06151	1.8
221.08090	3.6
231.10129	3.2
235.09700	3.5
236.50642	1.7
247.07664	3.4
247.09634	6.7
248.08318	3.6
249.08931	1.7
249.11224	27.0
263.06998	2.3
263.10764	2.3
264.07727	3.8
265.10736	5.2
276.07867	2.9
277.08643	4.1
279.10220	3.8
281.08041	2.1
291.09866	1.8
292.07544	1.8
294.08914	1.9
295.09546	2.0
307.09576	6.2
323.08768	2.0
323.12726	3.1
330.11121	2.7
337.10602	2.7
351.12259	2.9
369.13330	12.4
371.14975	2.5
383.15149	1.9
389.15689	5.3
401.15961	24.2
402.16345	2.5
419.16458	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	419.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	9.3
55.05499	6.4
56.96554	6.0
57.02073	6.9
57.03426	16.4
61.07227	5.4
67.05496	11.2
67.52422	6.1
69.03426	30.0
69.07063	7.7
69.86337	30.5
70.06564	7.0
71.04990	8.7
73.02895	21.6
77.00594	7.9
79.05465	14.9
81.03389	7.1
81.07048	16.4
83.04961	20.6
85.02898	52.6
86.09681	8.5
86.40107	5.9
91.05475	100.0
93.07033	19.2
95.04973	9.3
95.08625	10.3
95.12358	6.5
97.02877	40.1
98.69051	6.1
99.04441	7.7
101.06000	10.0
102.51706	5.8
103.03921	6.3
103.05437	12.0
105.07034	53.1
107.04940	14.8
107.08576	24.6
109.02885	12.3
113.02348	9.8
115.03902	12.4
117.07008	16.6
119.08569	19.5
121.10144	7.6
123.04420	17.2
127.03864	14.4
129.06982	10.4
131.04932	29.8
131.08549	21.0
133.04970	14.6
133.10106	16.9
135.11729	6.3
137.05963	17.0
141.05447	54.9
142.07703	5.6
143.08545	28.9
145.04967	13.9
145.10118	35.7
147.04337	8.1
147.11687	27.4
157.10120	16.5
159.11684	47.2
161.05898	11.2
163.03905	10.3
163.10977	5.9
165.05510	6.7
167.06982	7.7
167.10594	6.9
173.13251	29.0
175.14769	6.6
177.05542	5.7
181.12221	15.4
183.06522	10.4
185.13251	39.9
191.06996	11.7
195.07849	6.8
203.14247	31.1
205.08566	7.7
207.06493	6.1
213.07961	19.3
221.15451	31.0
231.06735	6.6
231.08951	30.1
239.16418	73.1
257.08459	27.0
257.17654	8.7
267.10565	15.8
275.08035	16.1
317.08490	9.5
345.13135	7.1
419.12164	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3516
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
53.03923	2.0
55.05497	11.1
57.07059	4.3
67.05497	3.3
69.07060	15.4
69.70821	2.2
70.22909	2.2
70.23293	9.8
71.08607	2.9
79.05476	8.1
81.07054	4.9
83.04965	4.8
83.08598	8.6
85.10120	2.7
91.05460	9.9
93.06974	2.0
95.08574	6.0
97.10165	2.4
105.07008	3.0
109.06495	24.7
109.10159	3.2
111.11712	2.2
119.08526	2.4
123.08031	2.3
125.05950	6.2
134.80809	2.2
136.05185	2.9
137.05966	100.0
138.06325	4.5
151.07524	13.7
155.07019	6.8
163.07542	6.3
165.09085	8.5
173.01788	2.0
177.09100	18.2
179.10674	5.0
191.10715	3.8
193.12233	5.1
205.12378	2.0
207.13853	4.7
221.15289	3.2
249.18344	2.4
263.20111	2.3
271.92520	2.0
401.34052	27.5
403.19125	2.5
419.22711	14.6
419.35031	82.7
420.23270	2.6
420.35016	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	420.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.9
55.01857	11.8
57.03413	4.7
59.54850	3.4
60.04506	5.3
61.02925	4.7
68.99765	5.9
69.03426	31.6
69.67718	12.3
69.68130	7.7
70.06584	7.0
71.04965	8.9
73.02895	8.3
81.03410	28.9
85.02901	100.0
87.00819	33.2
87.04456	2.9
87.23101	3.0
91.05453	12.4
95.04999	3.3
97.02886	33.3
99.04435	14.2
105.01861	36.1
105.06985	3.8
107.04950	40.0
109.02903	29.4
112.07578	6.5
112.62007	3.0
119.04935	7.2
123.04414	11.6
124.07594	17.1
127.03914	64.8
129.06966	3.8
133.06439	7.2
137.05968	48.6
142.08716	3.9
145.04941	28.9
147.04381	3.9
151.07484	14.4
158.69424	3.0
159.02911	21.3
161.05969	13.1
163.03860	4.4
163.64461	2.9
165.05452	8.9
167.07007	3.7
175.07550	7.9
177.05426	5.1
179.07027	31.4
189.03902	9.6
194.39465	3.0
199.07684	3.5
203.07018	9.9
217.08546	7.7
221.07997	14.6
231.05006	13.8
245.08144	19.3
263.09097	25.3
265.39465	3.3
349.09079	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	420.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	8.4
57.03416	9.1
61.02919	4.9
62.67716	2.7
69.03413	12.8
69.57564	2.5
70.06575	4.7
71.52576	2.5
71.52968	3.4
73.02914	21.8
79.05478	7.9
81.03388	7.2
83.04979	4.6
85.02892	22.1
87.04488	3.1
91.05472	60.3
93.07034	3.3
95.04961	35.1
97.02892	29.4
105.07012	5.8
107.04975	16.4
109.02864	8.1
115.03928	14.8
115.05418	5.9
117.06998	14.2
121.06480	3.4
123.03558	4.2
123.04420	48.0
125.05984	3.7
127.03925	9.2
129.07005	8.2
133.04945	3.3
133.06499	4.8
135.04358	3.2
137.05977	18.8
139.07588	3.9
140.04633	12.1
141.05412	3.4
145.04996	8.3
145.06450	25.4
147.04358	5.9
149.05984	5.2
151.07539	5.0
153.05450	16.6
154.06152	5.1
155.07031	23.5
156.05656	11.0
157.06436	7.2
158.07251	3.0
159.08043	6.3
161.05922	5.4
165.05489	3.7
167.07030	73.7
168.07707	4.8
169.04955	6.7
173.05978	40.3
175.07509	5.3
181.08623	3.5
182.09357	9.5
183.06522	79.2
183.07973	3.2
184.05649	3.4
184.07283	31.3
187.07523	11.2
189.05417	4.6
189.09106	6.0
190.06227	23.3
191.06877	3.4
192.07780	4.7
197.11670	6.8
198.06723	4.9
202.06131	5.4
203.07036	16.9
205.08571	39.2
210.08852	15.2
213.09094	3.9
217.08588	100.0
218.07375	4.7
218.09169	22.6
219.08177	4.2
219.10133	7.5
220.10872	8.6
226.06174	4.2
230.09399	6.9
233.09738	4.0
235.07344	3.8
235.09602	8.4
238.11969	10.7
241.08601	8.1
247.07382	3.6
248.08159	4.2
248.10434	16.0
249.09076	3.6
249.11398	4.0
261.09106	8.1
263.06961	6.4
264.07709	7.3
266.11465	4.4
277.08646	8.7
279.10172	8.6
293.08228	3.8
293.11624	4.0
295.09140	3.6
307.09619	19.2
311.12885	4.6
315.08612	4.1
321.11130	4.5
329.10114	5.5
330.10886	3.6
339.12134	17.0
344.12381	11.1
370.13535	4.8
371.14862	51.4
372.15564	6.0
384.15366	4.2
387.14359	7.5
389.16150	3.8
402.16586	6.4
420.17404	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	420.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13570	1.1
54.08660	1.2
56.39365	1.2
56.84679	1.1
57.03188	1.8
57.03434	18.9
60.61689	1.4
61.02925	5.9
61.03196	1.2
63.33589	1.2
69.03422	23.0
71.01333	3.2
71.06794	3.2
73.02911	36.9
77.16156	1.1
81.03397	3.4
83.73884	1.2
85.02898	36.3
87.04471	7.4
89.19586	1.1
91.05473	100.0
92.05800	2.6
95.04974	2.0
97.02882	46.3
99.04459	1.6
105.07030	2.8
107.04906	1.4
109.02887	2.1
115.03921	33.4
117.06984	1.9
118.13020	1.3
123.04417	4.0
127.03899	9.0
129.06993	1.6
133.04950	15.1
133.06491	2.9
145.04938	11.7
145.06483	4.7
147.31934	1.2
150.07591	2.6
157.56181	1.4
161.04396	2.9
163.06013	4.0
167.06969	3.4
183.06502	1.4
203.07043	1.7
205.08620	2.1
217.08621	6.5
223.06078	2.6
235.09627	2.5
241.07022	2.3
253.10649	3.4
259.08057	3.9
295.09973	1.3
372.13824	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
53.23138	1.1
55.01857	5.8
57.03433	16.4
59.04979	3.3
59.98484	1.5
61.02927	12.8
65.03913	2.4
69.03424	26.5
71.01347	5.4
71.04987	1.5
73.02912	73.7
81.03433	5.7
82.54396	1.0
85.02901	62.9
87.04475	3.3
91.05474	100.0
92.05805	1.3
97.02886	58.1
98.21521	3.9
99.04428	2.6
103.03958	3.3
105.07027	6.8
107.04982	1.3
109.02872	5.0
115.03922	25.3
117.06984	2.3
122.74889	1.1
123.04441	1.4
127.03912	21.2
129.06996	2.1
131.08545	1.2
131.13847	1.1
133.04962	26.6
133.06458	5.8
137.05948	1.7
145.04955	26.9
145.06436	3.1
150.07590	3.6
153.06993	1.2
157.06520	2.9
159.08034	1.3
163.03979	1.4
163.06013	11.0
171.08078	1.2
175.07442	1.4
180.08803	1.2
187.07433	1.9
189.73407	1.2
205.08624	2.8
217.07016	1.5
223.06029	3.8
229.44412	1.6
241.07095	5.5
253.10663	1.6
259.08173	7.4
277.09161	2.2
295.10345	2.5
358.79062	1.5
406.30444	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	11.6
57.03422	11.2
59.04715	4.5
59.04998	79.3
63.03058	5.3
64.61225	4.0
66.50823	5.2
69.03418	39.5
69.03745	7.7
70.06566	14.6
70.58342	11.1
70.58706	8.5
73.02913	11.7
74.64912	4.3
79.05440	4.7
81.03401	33.5
83.04974	6.5
84.75670	4.6
85.02898	84.5
87.04460	100.0
89.05999	13.8
90.29710	4.5
91.05456	19.9
97.02879	72.4
98.97557	5.1
99.04432	11.2
101.05994	5.0
103.03942	6.3
105.05492	68.2
105.06976	5.9
107.04924	30.4
108.05294	12.0
109.02877	29.0
111.04424	5.0
112.03948	15.4
112.07588	9.8
119.08562	5.1
121.90752	4.0
123.04409	14.7
124.07548	5.1
125.05937	6.1
127.03917	61.0
137.05949	21.5
139.03809	6.8
140.07047	6.9
141.04413	5.2
141.05455	88.5
142.05798	53.5
145.04935	42.5
145.06120	6.1
145.06331	5.7
147.04315	6.9
149.05911	6.6
151.03949	5.6
151.07526	9.5
153.05441	6.0
163.03882	6.8
163.05977	6.4
165.05507	22.9
166.05786	5.8
167.06987	16.8
173.05908	5.0
179.06998	10.7
183.06468	16.5
188.03752	12.4
189.07527	10.9
195.06459	5.2
203.06987	11.6
205.08481	4.8
207.06348	6.4
208.06906	6.1
217.08566	12.9
218.09386	6.1
221.08089	11.8
231.08652	15.5
232.06889	5.0
245.08022	16.3
249.09692	29.1
263.08926	11.0
367.13998	9.0
371.14462	6.5
421.14047	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	421.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	6.9
57.03423	6.0
58.99858	4.4
60.58091	2.4
61.02922	5.2
69.03426	13.2
69.03722	2.3
69.49271	15.2
69.49687	6.0
73.02892	6.1
77.00887	6.7
81.03371	3.1
81.04539	2.9
82.99854	4.2
85.02892	19.9
86.03214	3.3
97.02871	13.3
98.97557	10.9
101.00873	33.2
103.02422	7.9
106.35452	3.2
113.00846	4.0
115.02419	10.1
115.97658	2.4
116.38958	2.5
116.98618	4.6
117.03995	14.5
119.01904	87.8
120.01970	2.3
121.03496	4.7
127.02374	9.1
127.03892	10.3
127.05028	7.7
129.03990	2.8
131.00137	2.6
131.01837	17.5
133.03455	26.5
134.03484	2.6
135.05045	16.7
137.02905	14.1
141.03986	3.5
143.01836	12.6
144.99803	7.1
145.03452	100.0
146.03552	4.2
147.01338	8.8
147.05069	7.5
149.02954	5.6
151.04584	3.5
155.01898	4.6
157.03441	8.3
159.05026	24.4
161.02943	28.7
163.04625	24.4
165.06088	3.0
168.99854	5.2
169.03416	43.8
169.04684	3.2
171.01381	22.3
171.04938	6.3
172.99321	6.8
173.02908	15.1
175.04517	11.0
177.02451	4.6
177.06042	6.2
178.04921	3.5
179.03990	5.4
185.02911	17.6
185.06557	2.4
187.00876	14.1
187.04498	82.3
188.04651	3.7
189.02408	56.1
191.00333	3.5
191.03888	10.1
195.01331	11.2
197.03009	5.9
199.00893	9.5
199.04517	14.4
200.04575	2.9
201.02406	7.1
201.06035	4.9
203.03983	14.3
205.01880	4.1
207.03465	9.4
210.06033	3.6
211.04500	6.8
213.02423	35.5
215.00322	10.2
215.03999	11.8
217.02002	24.5
217.05391	11.6
219.03505	10.8
221.05006	9.6
223.00896	3.0
225.02536	5.9
227.03963	7.0
229.01857	12.6
229.05557	4.6
231.03494	37.0
233.01385	5.2
237.02751	8.3
239.00337	9.4
241.01855	7.9
243.03461	9.8
245.05098	13.2
247.02928	8.6
249.04474	4.2
249.57275	3.3
250.06932	14.1
251.02574	4.3
255.03386	5.3
257.01367	15.1
257.04999	11.0
259.02979	6.1
259.07022	3.7
261.04602	5.5
265.04099	4.2
265.07605	6.6
266.99823	3.6
269.01337	5.1
271.03064	4.9
272.06467	9.6
273.04529	13.1
275.02444	35.9
275.05643	4.3
277.04013	2.9
285.00983	5.7
285.04581	6.6
287.02487	5.8
289.03946	6.9
289.10220	3.6
293.03485	11.1
297.04669	2.7
299.02423	3.8
301.00354	17.8
301.04022	16.2
303.01807	3.2
305.03445	5.8
307.04944	3.5
313.00400	3.2
315.01990	4.1
315.05530	12.5
317.03418	6.8
328.99921	5.0
331.01563	5.4
333.02924	7.6
333.06699	11.8
335.04630	4.0
340.09952	3.8
345.03052	5.4
349.06125	3.9
359.04501	6.5
361.02472	24.9
362.02750	2.8
373.02020	3.7
391.03534	5.0
403.03564	7.5
421.03943	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	421.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.8
55.01869	5.7
57.03437	2.8
58.06588	3.3
60.04520	5.2
65.03941	2.3
67.05493	2.8
69.03425	3.9
69.07053	2.9
70.06583	2.4
71.04980	2.7
71.52886	3.3
71.53255	2.6
79.05489	17.4
81.03419	3.9
81.07060	4.7
85.02900	4.8
85.06525	2.4
89.07158	6.2
91.05474	23.3
93.07024	14.7
95.04967	9.9
95.08617	2.9
97.02883	4.0
103.05458	8.2
105.07020	7.9
107.04948	30.3
109.02908	2.7
109.06511	4.0
111.04440	4.6
115.05460	5.9
117.07024	5.0
119.04958	7.7
119.08563	4.7
121.06499	24.0
122.03577	2.7
123.04417	24.8
124.02182	5.1
124.05203	4.1
125.02445	3.2
125.05946	5.6
127.03960	3.0
128.06219	8.2
129.06990	32.0
130.06499	14.4
131.04939	3.9
131.08601	5.3
133.02859	3.6
133.06441	4.0
135.04395	3.7
137.05949	24.2
138.03111	3.7
140.04637	5.1
141.07011	3.0
142.03224	2.6
143.04944	3.2
145.06494	6.2
147.04401	47.1
147.08031	17.7
148.05193	3.5
149.05992	26.9
151.03938	5.1
151.07521	8.5
152.04630	2.8
152.06212	2.0
153.05463	34.8
153.06789	4.6
154.06284	2.5
157.06494	21.8
157.07597	3.8
157.14336	2.2
158.06047	3.9
160.05174	4.8
161.05991	14.1
163.03943	2.9
163.07564	10.1
165.05449	7.9
165.06979	7.0
165.08951	2.1
166.06294	10.5
167.07040	100.0
167.08553	6.9
168.07324	3.7
173.05998	3.3
175.07532	98.6
176.07753	2.7
177.06985	3.1
177.09178	2.4
179.07066	8.1
179.08565	4.2
180.07793	11.3
181.05051	3.7
181.06496	9.8
181.08586	78.0
181.10159	5.4
182.07295	4.2
182.08856	3.6
183.06551	2.5
183.08086	4.1
189.09138	4.2
190.07709	2.9
191.08534	3.7
193.06723	3.8
193.08586	17.5
194.07324	5.8
195.08052	15.2
197.05965	3.5
198.06709	2.9
199.07452	4.0
203.51405	2.2
206.07175	2.6
207.08180	2.8
208.08827	3.3
209.06033	5.7
209.09579	3.0
210.06700	5.3
211.07605	10.3
211.09261	2.4
213.05412	4.7
213.09042	3.5
219.08099	10.8
219.10124	3.9
221.06036	3.8
222.06790	4.0
223.07507	9.6
223.11247	3.3
224.08130	2.5
225.05482	4.0
225.09135	6.7
226.06259	6.4
227.07065	7.3
235.07529	3.9
236.08298	3.5
237.05394	3.1
237.09055	8.5
238.06210	2.3
239.07056	7.6
240.07805	4.9
241.08473	11.1
243.10175	7.6
245.08017	2.7
247.07607	3.3
249.09230	2.8
251.07042	7.2
251.10754	6.3
253.08629	3.1
254.05864	2.8
255.07268	3.0
255.10185	4.4
256.07443	4.2
257.11661	2.9
262.11914	4.4
265.08658	5.7
267.10345	2.4
269.08078	21.0
269.11740	5.7
270.08853	6.8
271.06125	3.8
271.09634	12.6
272.10165	3.0
279.10117	8.4
283.09659	7.8
283.13251	5.2
285.11365	3.1
286.08517	2.8
288.09918	7.8
290.11292	4.1
297.11176	10.2
299.09143	4.4
300.09695	3.1
301.10687	27.0
302.11383	4.1
303.12158	14.3
311.12845	4.1
315.12299	7.2
329.13907	22.6
330.13995	2.5
332.12720	13.7
345.13260	9.4
346.14047	32.9
347.14859	71.1
348.15244	4.0
447.89224	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	421.3672
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
51.02368	0.7
53.03927	1.8
55.01853	2.4
55.05505	9.6
57.07071	5.4
67.05499	11.5
69.07062	13.8
69.28731	2.6
69.29156	3.8
71.08627	4.0
72.98501	0.7
79.05475	1.8
81.07044	3.1
83.04958	0.8
83.08614	8.5
85.10179	2.0
91.05477	6.7
91.32874	0.6
93.07034	39.1
95.04945	2.4
95.08595	23.8
97.06512	1.3
97.10151	5.2
103.86433	0.7
105.07027	1.3
107.08578	4.0
109.06530	1.0
109.10120	2.0
111.08069	21.4
111.11697	1.1
119.08553	1.4
121.06516	3.3
121.10130	1.8
123.08085	1.4
125.09622	2.9
125.13218	1.0
127.07530	3.0
133.10193	0.9
137.09586	1.0
139.07521	22.1
149.09615	1.1
151.11169	0.8
153.09079	11.6
157.08563	3.3
163.11147	0.7
165.09079	1.2
167.10649	7.2
180.10135	0.9
181.12198	6.8
193.12202	0.8
195.13739	5.4
207.13765	2.0
209.15356	3.2
221.15422	1.0
223.16933	2.3
225.06985	0.7
237.18454	1.0
251.20009	1.8
265.21658	2.1
277.21655	0.7
279.23172	1.7
293.24487	0.7
321.27786	0.9
347.29367	1.3
354.65454	0.6
385.34750	0.8
403.35690	24.4
404.36148	2.2
421.36719	100.0
422.37109	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	422.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
53.03928	2.0
55.01867	0.9
57.03431	0.9
65.05286	0.5
69.03065	1.0
69.03420	7.8
69.94878	1.7
69.95285	1.6
71.04986	0.9
73.02882	0.8
74.08377	0.6
77.15790	0.6
78.03024	1.1
78.03449	14.2
78.04690	1.0
79.05499	1.3
80.05019	2.1
81.03416	17.5
85.02901	7.0
91.05473	10.8
93.18391	0.5
95.94518	0.5
96.04485	4.2
97.02892	5.1
99.04452	2.9
105.06997	1.0
106.02905	56.5
107.03278	0.7
107.04967	3.4
108.05698	0.8
109.02876	9.5
112.32723	0.6
115.05468	0.6
117.68757	0.6
119.04933	6.7
120.05846	0.6
123.04436	2.1
124.03945	100.0
125.04332	0.7
125.05975	2.9
127.03914	5.7
127.88351	0.6
131.42917	0.6
135.04408	1.5
136.05238	0.9
137.05969	33.3
138.06404	0.8
144.05661	0.7
145.04858	0.6
145.06436	0.8
151.03889	0.7
153.05461	3.8
161.05936	1.4
166.04991	1.3
167.07014	14.3
168.07811	15.1
181.05045	0.7
187.07573	1.1
188.03819	0.8
193.08565	0.7
219.10121	0.9
224.10471	2.4
225.14879	1.4
226.07207	0.7
232.06062	2.0
237.11147	0.7
250.07095	22.8
251.07404	0.6
268.08136	39.7
269.08395	1.3
355.90820	0.6
372.78357	0.6
404.13364	25.6
405.13449	1.2
422.14435	16.8
422.20029	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.01860	0.3
55.05493	0.8
57.03417	0.3
65.03920	0.3
67.05485	0.4
69.03422	1.6
69.07047	0.9
70.06573	0.6
70.99558	0.3
71.04979	0.4
71.52914	0.4
72.68576	0.2
73.06541	1.6
73.14200	0.3
79.05462	0.3
81.03416	1.9
81.07030	0.6
83.04974	0.3
85.01119	1.3
85.02898	3.2
85.06529	0.3
85.17590	0.3
86.09718	0.3
91.05466	0.7
93.07033	0.7
95.04968	0.3
95.08622	0.4
97.02287	0.5
97.02888	8.1
97.06508	0.4
98.97556	0.4
99.04433	1.3
101.06003	0.4
105.07001	1.0
107.04922	0.4
107.08574	0.5
109.02856	1.8
109.06483	0.4
109.10150	0.3
111.08068	0.8
111.93083	0.2
112.02181	2.0
115.07543	0.8
119.08524	0.4
121.06482	0.6
121.10145	0.5
123.04399	1.1
123.08087	0.7
123.11709	0.3
124.03977	1.4
127.03910	2.8
130.50758	0.3
135.08075	0.3
137.05974	4.1
138.06305	0.5
138.09213	0.3
139.11137	0.2
140.01619	2.3
144.04755	0.7
146.35289	0.2
147.04416	0.6
147.11674	0.4
149.09583	0.3
157.01878	0.5
158.02710	1.0
161.13327	0.3
167.07007	0.3
170.02676	6.9
181.12283	0.5
188.03754	100.0
189.04089	2.3
190.03253	0.3
199.13197	0.3
207.13756	0.7
225.14774	1.5
226.08545	0.3
228.06548	0.6
230.04793	1.7
243.15933	0.6
252.06883	0.8
267.08444	0.5
268.08157	1.8
296.05826	1.8
314.06891	18.0
315.07584	0.5
332.07965	3.0
339.38541	0.3
355.09918	0.6
372.12659	0.5
422.14948	1.1
423.12125	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	13.1
55.05513	19.0
61.83584	11.0
67.05502	67.5
68.05846	14.7
69.03414	17.8
69.07053	30.5
71.52319	11.3
71.52704	23.0
79.05477	43.9
81.03392	39.0
81.07052	79.1
82.03720	10.5
82.07393	18.7
83.08608	26.8
91.05476	66.5
93.07040	49.1
94.07335	13.8
95.04960	41.9
95.08585	51.4
105.07027	33.5
107.04943	17.8
107.08583	29.7
109.10161	47.1
110.10464	15.6
111.08068	13.8
119.08594	25.2
121.06470	27.7
121.10105	13.4
123.04426	50.1
123.11629	13.0
127.03873	15.0
129.06966	17.1
131.08604	12.8
133.06537	15.1
133.10065	21.9
134.10466	13.7
135.04398	51.8
135.08029	24.3
135.11720	19.4
139.03853	43.6
147.04276	14.8
147.11713	12.6
148.11964	11.3
150.06769	13.5
151.02344	10.9
151.03862	22.6
151.07588	13.0
158.10422	15.1
163.03882	31.6
163.07530	22.8
165.09087	40.0
175.03838	13.3
177.05479	15.7
193.08647	16.4
195.10054	20.8
204.82903	11.9
234.60591	13.5
271.05957	100.0
283.05771	18.3
301.07050	31.2
330.21359	54.0
348.22647	17.8
404.24860	21.4
422.26117	54.8
423.10886	15.6
423.18021	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	422.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43993	4.4
63.64688	5.9
66.37591	4.6
69.07092	5.3
69.42680	35.5
79.05489	8.9
81.06998	7.0
91.05473	9.2
93.07027	5.8
103.05500	5.3
103.35060	5.3
105.06995	18.0
107.04918	6.6
119.04913	9.5
121.06511	10.7
123.04446	7.3
133.06477	11.4
134.07281	7.6
135.04422	8.8
135.08038	12.1
136.05161	5.5
139.03891	10.7
146.07251	6.2
147.04309	7.0
148.05122	11.8
150.06769	24.7
151.07584	31.4
162.06770	25.7
163.03911	7.8
163.07535	39.3
165.09105	100.0
177.09071	6.1
177.18506	5.7
193.08592	75.8
195.10173	14.5
205.08742	5.5
271.06012	20.8
305.11969	5.6
320.14056	10.5
370.79092	5.6
390.96899	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	422.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	18.7
67.05487	38.9
69.03412	15.8
69.07065	29.2
71.52573	15.1
79.05483	32.4
81.03409	23.2
81.07042	43.2
83.04974	11.4
91.05472	35.1
93.07028	36.8
95.04954	34.4
95.08598	40.9
96.08913	14.4
105.07029	39.3
107.04960	25.8
107.08627	20.7
109.10146	41.9
110.10503	10.3
111.04437	22.4
119.04961	20.5
119.08562	18.6
121.06506	18.8
121.10139	15.3
123.04428	54.9
123.08000	13.0
123.11694	12.3
127.03891	13.7
133.06445	15.7
133.10085	19.1
135.04407	40.1
135.11732	20.6
139.03893	35.8
143.08578	9.4
145.10152	10.0
147.04434	17.7
147.11606	10.4
149.02299	9.9
149.05991	9.4
150.06732	13.7
151.03938	16.4
151.07501	25.7
161.13315	8.6
162.06752	16.0
163.03856	46.2
163.07571	21.1
165.05499	12.9
165.09111	69.3
167.07030	9.6
170.24603	9.4
175.03816	19.1
182.39926	9.6
189.05380	10.5
193.08604	38.7
195.10161	38.0
243.06361	11.3
257.04422	9.6
259.06055	11.0
271.05963	100.0
273.07626	13.7
301.07111	11.7
330.21237	15.0
404.24457	10.8
422.30417	18.9
423.10782	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23604	0.2
53.17087	0.3
55.01855	0.3
59.29950	0.2
67.05473	0.9
69.03405	0.5
69.07053	0.6
69.34874	0.3
69.69560	1.5
79.05457	0.7
81.03397	0.5
81.07027	0.8
83.04927	0.4
85.02899	0.3
87.16996	0.3
91.05441	1.2
93.07001	1.0
95.04926	0.5
95.08589	0.5
105.06989	0.9
107.04941	0.4
107.08540	0.5
109.02860	0.3
109.06439	0.4
109.10130	0.6
111.04385	0.6
111.50986	0.2
115.05415	0.5
119.04939	2.5
119.08520	0.3
121.06487	0.4
121.10109	0.7
123.04414	5.9
131.04950	0.3
131.08594	0.3
133.06477	0.5
133.10068	0.5
135.04384	1.2
135.11720	0.4
137.02275	0.3
137.05943	0.6
139.03886	0.9
141.06956	0.7
145.06422	0.5
147.04398	4.3
151.03906	0.9
161.05991	0.4
163.03865	1.0
163.07484	0.3
165.05443	0.9
167.06995	0.7
169.06445	1.3
173.05928	0.4
175.07472	0.5
177.05418	0.5
179.07059	0.5
181.04890	0.6
187.07437	0.4
189.05415	1.1
191.06902	0.6
197.05991	1.5
200.04701	0.4
201.05443	0.5
215.07048	1.5
217.04932	5.0
217.08333	0.3
218.05162	0.3
225.05522	0.6
227.06927	0.6
229.04950	0.4
229.08551	0.6
243.06505	9.4
244.07135	1.0
258.05197	0.3
259.05994	10.5
259.08774	0.6
260.06372	0.6
271.05984	100.0
272.06400	4.4
273.07544	0.6
283.06052	1.2
285.07468	0.5
301.07043	3.3
303.08734	0.4
405.09744	0.4
423.10703	25.2
424.11008	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.1
51.12954	1.2
53.03946	1.8
60.02838	1.0
65.03938	1.2
69.03430	2.1
70.79353	2.3
70.79721	2.5
71.04964	1.6
78.03445	2.7
78.04693	3.6
79.05482	6.1
81.03410	5.4
82.03751	1.4
85.02892	3.1
91.05485	6.7
92.05801	1.4
93.07040	1.6
95.04954	2.0
95.76054	1.2
96.04471	1.6
97.02859	1.6
103.05453	4.4
105.07007	8.3
105.70793	1.1
106.02918	12.1
106.04148	3.6
107.03246	4.6
107.04942	9.7
109.02888	3.8
111.04363	1.1
115.05486	1.3
117.07046	2.0
119.04923	2.6
121.06504	2.7
121.69279	1.0
123.04427	12.9
124.03940	17.5
124.05222	3.3
125.04272	7.7
125.05967	2.8
127.03896	1.7
131.04936	7.1
131.08575	1.5
133.06476	5.2
135.04395	3.0
135.08005	1.3
137.05984	12.2
138.06369	3.5
139.03911	1.4
145.06473	3.4
145.31923	1.1
147.04340	2.9
151.03943	1.9
151.07523	3.5
152.04677	2.0
153.05486	3.1
154.05760	1.5
158.07349	1.2
159.08049	1.8
161.05959	9.0
163.03900	4.6
163.07555	9.9
165.05507	2.3
167.07030	100.0
168.07722	9.8
169.06540	1.6
169.08101	5.6
173.05923	1.3
173.09598	1.5
174.06662	1.0
175.07562	1.8
177.05608	1.1
177.09027	1.8
179.07072	2.4
181.04999	2.9
181.08548	2.8
187.07516	2.7
189.07060	1.3
193.08569	13.7
219.10217	1.4
250.07016	1.9
251.07430	5.0
268.08121	2.8
269.08426	6.5
323.12631	1.8
355.15445	2.3
405.13751	8.7
423.15091	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34100	0.7
65.03925	0.9
65.29081	0.7
67.05471	0.9
69.03391	1.5
69.38192	2.3
69.38619	3.8
78.04702	4.2
79.05482	4.3
81.07027	1.1
91.05470	1.9
93.03367	1.0
93.07040	1.5
95.04970	1.8
95.08595	0.9
97.02873	1.0
97.06511	0.8
97.86993	0.8
98.20797	1.6
103.05471	4.6
105.03361	0.9
105.07014	6.8
106.04165	1.2
107.04945	7.0
107.08599	1.1
109.06504	1.1
115.05449	2.3
117.06992	1.8
119.08557	0.9
121.06492	1.7
121.10162	0.9
123.04408	10.5
123.08047	1.0
124.05186	3.2
125.05917	1.2
127.03869	0.9
129.07004	1.6
131.04898	6.2
131.08540	1.0
133.06487	5.2
135.04388	0.9
135.08034	1.7
137.03319	0.7
137.05957	3.2
139.03874	2.1
139.07629	0.8
141.06892	1.2
144.05748	1.2
145.06467	2.5
147.04382	2.9
147.07954	0.8
149.05949	1.0
151.03896	3.1
151.07516	3.2
152.04654	2.5
153.05469	1.0
158.07224	1.8
159.08029	1.7
159.35063	0.9
161.05983	5.4
163.03900	1.7
163.07523	12.4
167.07027	100.0
168.07385	3.8
169.08113	0.9
173.05878	1.3
173.07138	1.0
173.09595	0.9
175.07515	3.3
177.05406	0.9
177.09055	1.5
177.46722	0.8
179.07022	2.2
181.08569	3.9
187.07538	2.9
193.08589	16.0
201.06604	0.9
201.09117	0.8
205.08562	1.1
213.29448	0.8
217.08568	1.3
219.10130	1.6
233.11739	2.9
237.11169	1.6
261.12195	2.0
271.06107	1.3
284.22937	0.8
291.10175	1.3
323.12625	1.5
355.15439	2.3
387.18155	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74300	1.2
51.16440	1.3
51.47897	1.3
53.03935	3.4
55.01866	1.8
55.05508	16.5
57.03431	5.0
57.07071	3.5
59.04982	3.5
64.14314	1.4
65.03920	2.5
67.05498	100.0
69.03412	7.5
69.07054	12.5
69.40256	11.4
71.04975	3.5
73.02963	1.6
79.05487	29.2
81.03403	6.6
81.07050	53.0
83.04967	4.9
83.08607	13.4
85.02892	4.8
85.06516	4.2
86.09689	1.5
91.05476	21.7
93.07035	39.0
95.04966	7.1
95.08600	25.1
97.02877	3.8
97.06518	6.3
97.10155	3.6
99.04453	1.8
105.07030	14.0
107.04952	2.3
107.08589	24.2
109.06527	2.5
109.10146	50.5
111.04428	1.6
111.08075	5.0
117.06978	8.0
119.08566	16.1
121.10130	14.1
123.04443	3.6
123.08059	4.9
123.11688	6.5
125.09634	2.2
128.06229	1.6
129.06996	2.8
131.04897	1.5
131.08543	12.5
133.10110	8.6
135.04439	2.4
135.08034	2.8
135.11690	7.5
137.09612	3.0
137.13228	1.3
139.03903	1.8
143.03430	1.3
143.08519	3.2
145.10088	7.4
147.04465	2.2
147.08064	1.7
147.11691	5.4
149.09621	3.0
149.13226	13.9
151.07433	1.7
155.10628	2.4
157.10115	3.2
159.11655	9.9
161.09552	1.6
161.13228	3.7
163.03941	1.5
163.14729	1.6
167.06621	1.3
171.11758	2.8
173.11729	14.6
173.13272	3.7
175.14885	2.6
177.12730	2.7
179.14265	3.8
187.14819	2.5
189.12752	1.5
195.13765	7.4
211.14861	2.1
243.06458	2.0
259.06070	1.6
259.20465	3.1
261.22049	7.9
266.72372	1.4
271.05972	19.5
277.21542	3.3
289.21881	1.6
301.06964	2.1
303.23227	3.2
345.24298	2.8
369.24048	5.6
377.89789	1.7
387.25311	4.1
405.26389	3.2
423.10641	4.9
423.27100	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	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28896	5.8
53.03933	10.4
55.01856	5.9
55.05502	27.3
57.07065	7.2
58.77125	6.5
67.05499	85.4
69.03410	24.3
69.07057	36.2
70.78897	18.0
71.04972	15.5
71.91627	5.5
79.05489	48.4
81.03403	31.8
81.07045	77.0
82.97949	5.5
83.04945	10.2
83.08599	18.9
85.02881	11.7
85.20967	5.4
91.05465	40.5
93.07027	60.6
95.04957	26.0
95.08599	63.2
96.44818	5.7
97.02876	11.3
97.06493	10.6
97.10153	11.9
99.04438	16.6
103.03876	8.1
104.94025	6.0
105.07027	38.8
107.04950	6.3
107.08585	34.8
109.06516	9.1
109.10128	39.1
111.04441	10.1
113.05978	8.4
117.07011	19.7
119.08564	37.5
121.06510	8.9
121.10109	23.1
123.04411	29.9
123.08049	7.8
123.11697	10.3
125.05985	23.6
129.07021	11.2
131.07675	5.1
131.08533	29.0
133.10117	29.4
135.07974	10.8
135.11684	15.6
137.13220	6.4
139.07536	11.9
141.05449	100.0
143.08583	12.5
145.10094	21.2
147.11682	29.6
148.12047	5.7
149.09598	6.0
149.13202	15.4
151.11192	6.3
153.09045	7.0
157.10152	8.9
159.11693	24.2
161.13280	13.1
173.13255	16.1
187.14813	7.7
194.04549	6.0
226.41826	7.5
259.20566	16.0
261.22037	12.9
271.06012	12.5
277.21445	7.7
291.23041	5.7
303.23010	16.6
369.24207	17.8
387.25211	25.1
387.32593	12.9
405.26385	19.3
405.33441	33.6
423.09586	11.3
423.27350	16.9
423.34534	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	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.5
55.01854	7.5
55.05504	20.2
57.03428	7.1
57.07059	5.5
59.04985	11.3
65.03936	5.0
65.12737	2.6
67.05495	100.0
69.03432	14.1
69.07056	25.6
71.04969	7.5
71.53145	4.5
73.02884	5.6
79.05482	60.5
81.03394	15.4
81.07044	95.2
83.04970	4.8
83.08598	11.5
85.02898	14.9
85.06524	4.7
86.51407	2.9
91.05467	38.9
93.07034	79.2
95.04965	8.6
95.08593	65.5
95.69952	2.6
97.02881	46.3
97.06516	5.4
97.10184	5.0
99.04445	26.4
101.02363	3.5
105.07027	35.1
107.08575	37.5
109.02848	15.1
109.06506	9.3
109.10146	38.3
111.08072	5.0
117.07018	14.6
119.08572	32.8
121.10126	38.5
123.04374	3.9
123.08013	17.4
123.11663	8.8
127.03911	29.6
129.06992	4.6
131.08540	19.8
133.06424	2.9
133.10098	24.9
135.08076	4.8
135.11681	26.9
137.09602	3.4
137.13203	4.0
139.32050	2.7
143.08510	4.0
145.05048	4.3
145.10081	16.1
147.11685	14.1
149.09648	6.3
149.13287	16.5
151.07547	3.3
157.10144	4.3
159.11708	15.8
161.09598	3.4
161.13206	6.7
163.03894	2.4
163.14919	2.7
165.05498	3.4
173.11797	6.9
173.13287	11.1
179.14285	15.9
182.37607	3.2
185.13284	5.7
187.14813	5.1
189.16284	2.8
191.10699	3.0
196.15227	2.7
243.06601	5.0
243.21069	4.7
259.05948	3.7
259.20569	7.7
261.22070	29.8
271.05981	53.1
272.06366	3.9
286.55118	2.4
329.24683	3.2
331.26212	10.1
349.27243	4.6
357.23859	3.4
369.23816	3.5
390.24692	3.0
423.10480	11.1
423.26736	12.7
423.32050	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	423.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31124	5.1
53.03951	6.7
55.05497	16.5
57.07065	9.5
67.05492	76.3
69.03429	7.9
69.07056	43.6
70.69675	5.2
71.52701	6.1
71.53061	7.6
72.74888	4.9
74.80441	6.2
79.05495	33.8
81.07049	87.8
83.08609	26.0
84.90514	5.0
85.06487	7.0
85.10178	8.0
91.05468	31.9
93.07035	64.1
95.08590	100.0
96.69471	5.6
97.06486	6.4
99.34275	6.5
105.07009	45.3
107.08575	69.8
109.06544	7.3
109.10143	72.6
111.08089	6.4
111.11761	5.6
114.06429	5.2
117.07003	11.1
119.08575	48.5
121.10104	47.2
123.08050	17.2
123.11677	20.4
131.08545	23.7
133.10086	44.7
135.08084	7.3
135.11661	31.7
145.10127	32.2
147.11665	42.8
149.13255	27.3
151.07520	7.0
157.10118	10.3
159.11635	29.4
161.13301	27.2
163.14824	15.9
163.26006	5.8
168.57722	6.2
171.11646	11.2
173.13261	18.9
175.14787	17.5
177.16325	7.2
179.14244	10.9
185.13126	8.5
187.14766	9.7
189.16357	16.1
191.17905	5.8
199.14861	8.5
201.16380	24.7
203.17950	41.4
215.17899	12.1
217.19487	13.0
229.19563	7.4
241.19400	6.0
243.21162	7.5
269.22620	7.7
271.05972	40.0
331.26248	8.9
349.28790	10.2
405.35364	27.1
423.26682	11.6
423.31076	16.5
423.36111	96.2
424.36749	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	424.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80722	3.5
53.03936	4.2
69.03407	4.7
70.06580	8.0
71.23528	6.5
71.75944	3.9
82.03704	3.1
85.02886	25.5
85.03346	4.2
86.90302	3.0
91.05461	10.5
93.07019	8.5
95.04958	4.7
97.02881	6.6
98.97581	4.5
103.05418	11.4
107.04925	9.6
109.02839	3.4
109.06522	6.6
112.07589	10.3
118.79098	3.5
119.04927	5.4
121.06493	21.5
123.04351	5.9
131.04904	16.4
131.38792	3.2
133.02844	25.5
133.20436	3.8
137.05980	13.0
139.03833	5.6
145.02841	5.0
147.04405	6.6
148.05164	4.3
149.05962	32.0
159.04420	11.4
163.03889	5.1
165.05489	21.4
167.07021	39.5
172.06891	4.5
176.04633	6.2
177.05452	100.0
182.05692	5.3
187.42973	3.4
197.08089	47.7
209.08061	96.9
222.05418	3.9
227.09087	30.7
237.02747	3.4
245.04973	3.9
264.03940	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	424.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90001	1.4
53.03943	2.1
56.96544	3.7
57.03427	1.9
57.89548	1.4
59.93062	1.5
61.02890	2.6
68.81522	1.5
69.03413	4.2
71.26022	2.6
71.26402	3.4
79.05479	2.2
81.03398	2.7
85.02895	11.3
91.05468	5.7
93.07019	2.5
95.04952	2.6
97.02863	4.9
98.97557	6.9
99.04399	1.7
101.04205	1.8
103.05451	7.1
107.04920	3.7
109.02813	2.7
110.97497	1.8
116.98586	4.9
117.03349	1.8
119.04904	2.5
121.06475	10.0
123.04415	5.0
127.03909	2.7
128.72411	1.5
131.04909	7.8
133.02853	3.5
137.05956	9.9
142.02257	1.8
145.04997	2.4
146.99677	2.2
149.05972	13.4
158.99709	2.8
159.04378	3.2
161.18192	1.9
163.03871	3.4
165.05447	2.6
167.07018	100.0
168.07372	2.7
172.04266	2.3
173.04678	2.7
177.00569	2.1
177.05449	37.8
191.06911	2.7
197.08095	2.0
209.08080	29.6
211.76357	1.7
219.01700	3.4
227.09100	62.8
253.99602	1.6
261.17813	2.1
294.85049	1.8
301.80249	1.5
309.08572	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	424.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.01862	10.7
55.05498	6.0
57.03436	23.4
58.81575	4.6
61.02926	19.3
62.26552	3.1
65.03925	4.1
67.05511	25.9
68.99763	4.0
69.03423	42.8
69.07056	9.0
70.06580	7.3
70.92735	7.5
70.93127	6.9
71.01363	7.5
73.02505	5.4
73.02916	100.0
79.05468	5.0
79.97503	3.5
81.03409	12.7
81.07045	9.0
85.02423	6.6
85.02901	86.6
85.06483	4.8
87.04446	7.5
91.05453	10.8
93.07029	13.6
95.04939	7.3
95.08603	95.5
96.08889	4.1
97.02297	4.5
97.02892	63.6
97.06514	4.5
97.10152	4.7
99.04442	7.7
101.92120	3.3
103.03948	4.6
105.07013	9.7
107.04944	5.5
107.08564	11.4
109.02844	8.4
109.10060	3.9
109.62794	3.2
110.20184	3.7
112.07566	4.6
113.09655	21.2
115.03928	31.2
119.08580	7.7
123.04430	15.9
127.03880	27.0
131.04976	3.7
133.04967	33.5
135.08020	6.6
137.02350	4.9
137.05965	10.8
137.09586	4.6
139.03874	4.8
140.07045	5.6
145.02933	3.7
145.04964	35.1
147.04364	8.9
150.07545	5.6
151.03899	11.2
151.07588	3.9
161.05923	5.8
163.03912	4.6
163.05998	9.0
163.25642	3.4
177.05421	9.7
181.04938	5.6
188.03732	5.2
193.05000	5.9
201.05402	8.1
203.07036	3.4
207.06400	4.9
223.05991	7.8
229.04750	3.7
231.06345	4.2
231.14877	4.0
241.07065	10.0
245.04427	11.8
246.14856	5.1
257.04306	5.1
259.08145	7.2
273.07495	18.3
287.05521	26.6
299.05453	5.7
380.20157	3.6
407.07547	6.7
425.12265	6.9
444.49536	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	424.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	29.4
69.30930	79.8
69.31339	16.3
69.36559	11.7
70.73087	11.0
79.05457	13.5
81.07047	25.4
91.05479	14.9
105.07021	19.2
107.04984	24.3
107.08604	11.9
123.04430	17.8
125.05956	13.6
126.05508	17.7
128.97121	10.3
135.08058	16.7
136.06514	11.7
137.05998	17.2
149.05908	11.8
150.73195	10.3
151.07516	100.0
153.05452	22.2
163.07513	35.5
164.08307	22.8
167.06924	11.5
179.10710	83.5
195.10178	56.2
223.14330	10.1
257.08121	19.2
262.18207	12.7
271.05997	14.5
272.06464	23.4
287.12753	53.7
294.58429	13.6
299.32574	11.5
338.54623	13.1
424.28564	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	424.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	7.7
55.05502	16.9
55.93520	11.4
56.50669	6.6
56.96540	8.7
57.01635	6.1
61.02911	6.4
65.03925	8.2
67.05492	11.3
68.99756	19.7
69.03409	19.4
69.07053	41.9
70.12351	28.4
71.04962	11.2
72.05602	6.1
79.05461	10.5
81.03384	6.4
81.07058	16.6
83.04958	19.2
83.08611	14.7
85.02890	28.4
91.05463	15.4
93.07036	14.9
95.04961	28.9
95.08583	18.8
97.02879	14.1
97.06521	12.9
98.97559	10.1
99.04412	14.8
105.07014	10.0
107.04948	9.9
107.08567	24.3
109.02845	13.3
109.06492	12.4
109.10133	17.4
111.04431	9.5
119.08556	15.2
121.10120	27.1
123.04403	27.4
123.08022	9.0
125.09612	8.3
127.03895	16.9
131.08522	14.0
133.10104	23.2
135.04385	13.4
135.08023	8.5
135.11742	7.1
137.02405	6.7
138.16779	6.8
139.03886	57.8
140.07040	14.1
147.04395	15.0
149.09607	8.9
149.13206	8.8
151.03886	8.0
151.11172	14.6
153.08992	6.6
155.03378	9.3
161.05986	13.7
163.03909	12.9
167.07100	6.8
167.14261	18.3
169.06377	7.2
172.04146	14.3
173.13220	26.1
179.03210	7.5
189.05489	9.4
191.14281	22.0
201.05421	8.9
203.07121	7.0
209.15378	79.8
213.05450	8.3
215.07008	18.3
216.06882	34.0
222.04640	8.6
225.05530	11.3
229.04953	20.7
231.05107	10.4
243.06404	16.2
245.04436	15.1
253.04962	11.1
257.04446	22.1
258.05203	15.7
259.06006	30.8
263.07367	6.9
269.04535	8.7
271.05975	46.5
273.03888	11.5
281.04526	10.3
281.08316	7.9
287.04922	7.7
299.05460	90.4
303.18030	7.1
304.08398	7.2
379.08118	11.7
407.07379	50.3
424.21533	11.5
425.08524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96438	2.1
53.03946	3.6
55.05505	5.8
57.03424	3.7
67.05479	3.1
68.75852	2.0
68.99768	5.9
69.03423	6.2
70.06567	2.5
71.04980	7.7
71.52745	2.2
73.02898	2.7
79.05488	3.4
81.03393	6.8
81.07030	3.6
81.29025	1.7
83.01324	2.4
83.04971	4.6
83.08586	2.1
85.02898	10.9
85.06538	5.9
91.05461	8.4
93.07020	5.9
95.04956	10.1
95.08588	6.4
97.02898	9.4
97.06509	4.4
99.04470	2.3
103.05427	2.5
105.07014	20.6
107.04955	2.5
107.08601	15.7
109.02871	5.1
109.06511	4.0
109.10168	3.1
117.07013	2.4
119.08565	12.3
121.02874	2.5
121.06595	2.5
121.10136	100.0
122.10521	2.2
123.04433	16.0
123.08051	2.7
123.11668	2.9
127.03915	6.6
129.05460	2.4
131.08569	8.7
133.10107	17.7
135.04396	4.9
135.08095	3.4
135.11667	6.1
137.06046	3.3
137.09616	3.0
139.03891	17.6
145.10121	3.6
147.04373	5.8
147.11684	16.2
148.04970	1.9
151.03899	3.1
151.11147	2.2
153.09105	2.6
154.80652	1.7
155.03442	2.0
157.06430	2.3
161.05882	2.3
163.03909	6.2
163.14865	3.3
165.05464	2.1
165.12755	9.7
167.03305	2.1
170.02737	5.1
173.09348	2.1
173.13309	17.7
175.03876	2.3
179.03336	4.1
188.03748	67.7
189.05522	2.4
191.14305	24.6
201.05382	2.9
203.03435	5.2
209.15372	11.5
213.05379	4.1
215.06955	2.9
229.05000	5.8
232.03465	2.5
243.06531	4.4
245.04396	11.8
253.04982	2.6
257.04440	7.0
258.05069	5.2
259.05954	6.9
269.04480	2.7
270.83121	1.9
271.06003	7.0
273.03867	8.6
273.07544	2.5
274.04456	2.5
281.04199	2.2
287.05307	9.8
299.05539	20.5
314.06830	9.2
332.07996	11.2
379.08118	7.5
389.06506	3.0
407.07281	19.4
424.07413	2.5
425.08499	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	425.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
63.92488	0.7
66.46555	0.7
69.71990	5.5
69.72318	1.3
75.44812	0.7
75.59460	0.8
81.03403	0.9
82.99839	1.1
97.02853	1.1
98.21464	1.6
101.00863	7.8
112.01749	0.7
112.11751	0.7
113.00861	1.8
117.65163	0.8
119.01908	22.5
124.02332	0.7
124.15613	0.7
127.02389	1.3
131.01895	8.2
137.02989	1.9
143.01880	22.4
145.03458	7.5
147.01468	0.9
155.01877	9.4
157.03476	5.2
161.02937	45.7
167.01877	7.1
169.02077	0.8
169.03452	2.1
171.05058	1.5
173.02934	18.5
179.01823	1.5
179.03966	1.0
184.04518	2.1
185.02936	36.7
185.04588	1.8
187.04482	4.0
191.04001	4.5
196.04523	0.8
197.02922	11.8
203.02278	1.3
203.03993	15.3
209.02870	1.0
215.04004	8.3
221.05061	1.3
227.03984	8.8
233.05081	1.0
245.05048	100.0
246.05125	5.0
257.05011	6.4
263.06107	27.6
264.06308	0.9
275.06107	14.1
286.07642	1.2
293.07175	4.1
305.07126	8.8
314.44223	0.8
335.08197	3.1
347.08359	1.3
348.72461	0.9
365.09363	5.6
425.11316	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16339	0.5
65.41500	0.5
69.35606	4.4
77.54974	0.5
81.40174	0.5
82.99862	2.0
83.48708	0.4
84.81444	0.6
85.01382	0.5
85.02869	0.5
97.02869	1.2
97.27343	0.5
98.97579	0.9
101.00860	16.2
101.01490	1.0
103.02358	0.7
109.02871	1.1
113.00848	2.7
115.02411	0.7
119.01908	27.6
120.01994	1.0
122.48228	0.5
127.02383	2.8
129.03937	0.5
129.47989	0.5
130.91632	0.5
131.01891	11.2
133.03467	1.0
137.02930	2.6
139.02370	1.1
143.01875	31.9
144.01999	1.1
145.03448	11.1
147.01317	1.4
149.02943	1.2
155.01869	14.2
157.03444	6.6
161.02937	60.1
162.03076	1.5
163.04503	1.7
167.01891	8.7
169.03456	2.8
171.05003	3.3
173.02940	23.3
174.01317	0.6
175.04524	2.7
177.02405	0.7
179.01866	3.9
179.03976	1.3
181.03317	0.5
184.04559	2.0
185.02931	43.3
186.03056	1.5
187.04523	4.9
189.06049	1.1
191.03984	5.8
197.02936	17.6
199.04614	0.8
201.06073	0.6
203.03978	19.2
204.04156	0.8
208.04535	0.9
209.02940	1.5
214.60774	0.5
215.03981	9.3
220.45924	0.7
221.05043	2.0
227.03998	9.1
233.04950	1.3
239.03966	1.2
245.05040	100.0
246.05249	3.5
257.05017	6.0
263.06104	25.8
264.06406	0.9
275.06110	10.8
287.05878	0.6
291.09207	1.3
293.07132	4.0
299.05750	0.5
305.07138	8.3
317.07050	0.9
330.11429	0.6
335.08173	2.2
365.09247	4.5
425.11569	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	425.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07261	0.8
55.01856	1.6
55.05504	2.4
61.19500	0.8
67.05508	4.9
69.03405	1.1
69.07069	4.7
69.74583	3.4
69.74994	1.8
79.05476	3.5
80.07892	0.7
81.03391	1.4
81.07048	8.7
82.99234	0.8
83.04988	1.1
83.08608	1.7
88.33557	0.8
91.05480	5.6
93.07029	4.8
95.04939	2.2
95.08607	7.6
105.07035	4.1
107.04936	2.5
107.08589	4.6
107.54639	0.9
108.18616	1.0
109.02869	1.2
109.10137	4.7
117.03379	1.9
117.07005	1.7
119.04923	1.2
119.08565	4.1
121.06448	1.2
121.10120	2.6
123.04415	11.7
123.08091	1.2
123.11700	3.4
129.07011	1.4
131.08575	2.1
133.10129	3.3
135.04408	2.7
135.07968	1.0
135.11661	3.0
137.13297	1.2
139.03885	3.0
145.02832	3.9
145.10107	2.7
147.04401	4.3
147.11679	3.0
149.05978	1.6
151.03860	5.8
151.07567	2.7
157.10086	1.3
159.11699	3.4
161.06004	1.5
161.13274	2.4
163.03926	3.1
165.05469	5.3
165.09102	8.3
169.05011	1.5
169.06529	0.9
171.11659	1.2
173.06087	0.9
173.13179	1.2
175.14766	1.4
177.05452	6.9
177.09183	1.0
184.36879	1.0
185.13243	0.9
189.05507	1.5
189.09129	0.9
189.12802	1.1
203.07042	4.2
205.08647	2.1
207.06578	1.2
211.14772	0.9
217.08643	4.2
231.06477	1.1
246.64017	0.8
273.14819	8.3
303.08612	11.0
357.13254	0.9
397.67383	0.9
407.33139	3.7
425.15643	100.0
425.34174	4.5
426.15997	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31963	0.6
51.02375	0.8
53.03934	1.2
55.01849	2.7
55.05500	3.1
57.07059	1.3
59.04987	0.7
65.03911	0.7
67.05510	4.5
69.03411	1.2
69.07079	4.0
70.88266	2.0
76.56740	0.6
77.03905	0.7
78.86952	0.6
79.05495	5.1
81.03400	2.9
81.07047	7.7
83.01324	0.9
83.04967	1.0
83.08618	0.9
85.02888	1.4
85.06508	1.2
86.84753	0.6
89.03916	1.0
91.05474	4.6
93.03401	0.9
93.07032	6.4
95.04954	5.7
95.08592	4.9
97.02869	1.7
97.06517	1.8
97.10183	1.1
103.05494	0.7
105.03354	0.9
105.07001	2.7
107.04951	5.3
107.08569	5.0
109.02860	7.2
109.06496	1.7
109.10131	5.5
111.04436	1.4
111.08057	0.8
115.05434	0.7
117.03374	3.0
117.07012	1.4
119.04938	5.5
119.08553	2.1
121.06495	5.2
121.10143	1.6
123.04413	67.2
123.08015	0.9
123.11690	9.2
124.04754	1.0
125.02370	0.6
125.05982	1.4
125.09605	0.8
127.03899	0.9
129.06985	0.9
131.08549	1.6
132.37741	0.6
133.06497	0.8
133.10133	1.5
135.04408	11.2
135.08026	2.4
135.11681	4.2
137.02316	1.8
137.05931	2.4
139.03886	10.3
141.06970	1.0
143.04936	1.3
143.08551	1.7
145.02832	6.6
145.06462	0.9
145.10081	1.0
147.04398	21.5
147.08023	1.8
149.05988	3.1
149.13261	0.8
151.03885	35.5
151.07541	2.2
152.04643	0.9
153.05470	4.1
157.06445	0.6
159.08046	1.0
159.11685	1.2
161.05933	6.5
161.09555	0.9
163.03865	5.7
163.07515	4.1
163.11214	0.8
165.04202	0.7
165.05466	14.6
165.06902	1.0
165.09143	0.9
169.04944	5.0
169.06422	1.3
171.08038	0.9
173.05995	2.9
173.13190	1.0
175.03923	2.0
175.07507	2.5
177.05457	13.2
177.09099	0.8
177.12697	0.8
179.03369	1.7
179.05612	0.8
179.07013	3.4
181.04915	4.2
183.02872	0.8
183.08055	1.1
185.05933	0.8
187.07535	2.4
189.05461	2.9
189.09123	0.8
191.07011	8.7
193.04942	12.3
193.08485	1.0
197.05991	1.9
199.07544	2.0
199.11340	0.7
203.07018	1.3
203.87044	0.6
205.08546	5.3
207.06508	7.0
211.07579	1.0
215.07019	4.6
217.08589	8.3
219.10149	1.0
225.05579	0.8
229.08710	0.7
231.06561	0.7
231.10124	1.7
239.06963	1.7
243.06462	2.3
250.71277	0.7
255.13832	3.7
257.08087	1.3
267.06381	0.9
273.14822	23.1
285.07510	8.7
303.08600	100.0
304.08890	2.6
343.11646	2.3
357.13345	2.2
369.13297	1.7
407.18472	1.4
407.33282	0.8
425.19745	7.0
425.25458	1.3
425.34152	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27003	16.7
55.05500	29.9
57.07045	23.3
58.66924	19.0
67.05488	52.9
69.07064	91.7
71.53026	21.1
71.69426	17.0
79.05485	23.2
81.07037	71.6
83.08610	43.5
85.31252	18.4
91.05466	49.2
93.07008	57.9
94.57594	17.2
95.08593	100.0
105.07001	42.4
106.24073	19.2
107.08575	33.6
109.10141	44.4
119.08586	38.6
121.10107	33.5
130.87144	18.6
133.10112	43.5
137.05963	24.2
149.05968	43.0
151.07463	16.9
171.70404	21.1
178.37280	20.0
223.44055	17.7
269.42819	19.3
315.12265	23.9
333.13336	27.4
349.91483	20.2
389.30164	35.8
425.17947	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.341
Annotation	Maragenin II
Peak:m/z	Relative Intensity
53.03926	3.3
55.01841	2.3
55.05503	12.3
57.07047	4.7
59.04984	2.6
65.03927	2.5
67.05489	33.0
68.10516	1.6
69.03413	3.4
69.06729	2.5
69.07061	29.9
71.04969	6.7
71.08595	2.4
71.52855	2.4
79.05477	22.7
81.03410	2.9
81.06582	3.3
81.07043	55.5
83.04950	2.6
83.08611	14.2
83.86098	1.9
85.06499	3.2
85.47720	1.7
89.03870	2.0
91.05469	25.0
91.06304	2.1
93.06480	2.7
93.07033	44.8
95.04942	4.2
95.08599	57.1
97.06523	2.4
97.10164	4.5
98.97558	1.7
99.08054	5.3
105.07020	50.1
107.04945	4.3
107.08575	52.1
109.06483	6.6
109.09470	2.9
109.10142	42.9
111.08048	6.2
111.11688	4.5
113.09679	3.0
117.03342	6.1
117.07009	13.3
119.04922	6.8
119.08559	40.6
121.06493	4.6
121.10136	30.6
123.04417	16.1
123.08054	8.7
123.11676	16.9
125.09598	5.5
127.11186	4.2
128.06206	2.9
129.06987	10.3
131.04849	1.8
131.08553	27.3
133.10110	31.9
135.04390	3.5
135.08008	5.6
135.11668	20.9
137.09584	4.1
137.13239	8.7
139.03880	4.5
139.11131	3.7
143.08540	15.4
144.09329	3.0
145.02809	13.5
145.10101	33.9
147.04378	6.8
147.11673	35.5
149.05928	5.1
149.13231	15.6
151.03871	9.5
151.07489	4.2
151.11148	9.1
153.12721	10.6
155.08519	6.7
155.14281	26.5
156.09402	2.3
157.10109	23.2
158.10843	2.9
159.11665	47.7
161.05984	3.0
161.09679	3.2
161.13222	34.7
162.13528	2.1
163.03865	6.2
163.11142	4.0
163.14798	6.5
165.05515	9.3
165.09045	5.1
165.12756	2.9
169.10092	8.8
171.11676	18.5
172.12227	1.9
173.13229	34.6
174.13583	2.3
175.11162	2.7
175.14836	15.0
177.05475	23.0
177.12741	7.9
179.07033	2.3
179.14207	2.5
183.11635	8.2
185.13208	13.9
187.14801	11.0
187.74622	1.9
189.05438	2.7
189.12686	2.5
189.16345	5.1
190.05888	1.9
191.14313	5.9
191.17981	3.3
195.11723	3.4
197.13225	10.2
199.14813	14.1
201.16309	5.7
203.06978	16.4
203.14323	2.3
203.17973	3.2
205.08504	3.0
209.13237	5.0
211.14771	19.5
212.15367	3.0
213.16313	15.4
215.17921	7.4
217.08617	9.9
217.19452	4.0
223.14726	3.2
225.16321	3.8
227.17899	7.0
229.15814	2.8
229.19485	3.0
231.06439	3.0
233.07774	1.9
237.16281	5.0
239.17786	4.6
241.19456	4.4
251.17815	3.0
252.18587	4.6
253.19423	11.5
254.19987	2.5
255.17320	3.5
255.21107	8.7
259.20547	3.7
265.19568	2.8
267.21118	2.1
270.19724	8.1
271.20554	6.9
273.14734	15.2
274.15213	2.6
281.22614	3.2
283.24048	1.9
295.24164	3.2
303.08536	8.5
307.24139	4.4
325.25143	2.3
339.26981	2.3
351.26675	2.9
365.31949	7.6
367.29892	6.0
383.33002	3.7
389.31940	6.3
395.32861	9.4
407.14581	2.5
407.27774	3.0
407.33072	70.7
408.33237	7.1
425.15576	100.0
425.28159	2.9
425.34113	51.6
426.15875	16.1
426.34259	6.9
441.18228	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3773
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05502	25.3
57.07063	10.1
58.52592	3.8
67.05489	35.1
67.69817	4.0
69.07062	50.6
69.61909	33.5
71.08633	5.4
75.03714	4.5
78.79063	3.9
79.05494	30.4
81.07045	100.0
83.08605	19.0
91.05469	19.0
93.07037	46.4
95.08599	86.6
97.10151	11.1
98.20952	13.7
98.21575	7.4
105.07028	41.2
107.08582	58.2
109.10130	69.1
111.11671	9.3
119.08560	42.4
121.10117	51.3
123.11691	30.5
131.08522	10.8
133.10123	28.0
135.11691	36.0
137.13232	20.9
145.10124	16.2
147.08043	5.4
147.11668	29.3
149.13213	34.1
151.07585	6.0
159.11678	15.1
161.13243	22.6
163.14806	9.1
165.09167	4.8
171.11659	6.2
173.13237	13.8
175.14816	12.0
177.16377	17.0
187.14833	16.8
189.16353	17.8
191.18001	22.2
201.16411	11.3
203.17908	42.1
205.19476	11.8
211.14755	4.0
213.16286	4.7
215.17947	11.5
217.19420	10.3
225.12846	3.9
227.17937	6.3
231.21059	5.2
245.22505	4.6
257.22726	5.0
343.29636	4.5
384.70657	5.2
407.36627	45.8
425.37784	95.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01871	6.7
55.05507	8.9
56.96554	12.4
57.07067	2.8
59.05005	3.2
60.04527	2.0
61.02918	2.4
65.03919	2.2
66.52910	2.1
67.05515	4.4
68.99787	3.4
69.03423	11.3
69.07063	8.6
69.47387	4.0
69.47807	12.7
71.04980	7.8
72.04506	8.2
73.02921	6.1
79.05491	8.8
81.03409	6.9
81.07047	10.1
83.04980	4.1
83.08617	6.4
85.02898	10.1
85.06542	5.4
90.05559	14.2
91.05477	6.6
93.07044	11.3
95.04970	17.0
95.08593	9.1
96.08130	1.9
96.11731	1.7
97.02880	7.8
97.06513	3.4
97.10168	3.4
98.02419	5.2
98.97581	30.6
99.04440	8.9
99.08106	3.8
105.07020	11.1
107.08572	13.3
109.02895	11.8
109.06509	10.4
109.10152	7.3
111.00793	3.4
112.03197	1.8
116.03442	8.4
116.98617	17.4
119.08534	4.5
121.02853	2.7
121.06493	2.2
121.10153	9.7
123.04411	18.0
123.08088	5.4
123.11708	3.2
124.07568	8.0
127.03915	12.0
127.07561	6.2
128.04483	3.3
128.98628	2.3
131.08539	4.9
132.06552	2.2
133.10123	27.9
134.99635	6.4
135.04399	5.8
135.08049	3.3
139.03889	39.3
139.40112	2.3
141.02269	4.5
142.08629	6.7
145.04970	2.3
145.10149	2.5
147.04478	2.9
147.11690	6.4
149.13277	8.0
150.07782	4.4
151.03954	4.0
151.11150	4.7
158.99655	7.4
159.03284	4.9
161.01193	2.5
161.05977	3.2
163.03926	12.7
163.14906	2.1
167.03406	4.4
167.14333	2.7
173.13281	11.9
177.00696	10.7
177.05469	2.5
179.03419	3.7
184.09723	9.8
185.05974	2.5
187.88582	2.1
191.03413	7.6
191.14346	6.3
193.04939	3.8
201.05547	3.6
202.10716	26.6
203.03401	6.3
205.05058	2.7
209.15477	2.2
213.08061	2.3
214.08568	10.8
215.03288	2.3
219.01778	7.3
220.11789	7.1
223.08990	11.1
224.09129	2.0
227.05841	3.1
229.05057	4.4
230.10312	3.7
231.05220	4.2
231.08934	2.1
233.04639	2.7
234.09789	2.6
237.02814	7.0
245.04413	4.1
247.06070	5.0
247.10085	2.7
257.04489	7.2
258.04672	2.1
259.06027	4.3
262.12888	5.7
264.12415	4.8
265.11078	20.8
271.06131	2.8
275.05658	12.6
283.05676	3.9
283.12021	11.2
287.05450	17.9
295.11316	3.9
300.05872	2.4
301.07098	5.2
301.12943	2.2
304.11722	3.1
307.12164	18.4
325.13266	9.7
328.13885	17.7
345.17563	6.2
346.14728	3.4
364.16043	5.5
391.07971	2.0
408.07877	3.5
408.19354	2.8
409.09259	7.1
417.19577	2.0
417.69745	2.0
426.08685	4.0
426.19916	19.0
426.70313	7.1
427.12018	100.0
427.16354	5.2
428.16586	2.4
445.17422	34.9
446.17490	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.7
52.70104	0.5
55.01865	4.2
65.03922	0.7
67.05490	1.9
68.99771	7.1
69.03412	1.2
70.77622	1.7
71.01336	0.6
72.08138	1.5
74.44901	0.5
77.03883	0.7
79.01855	0.5
79.05487	0.8
81.03406	0.7
81.07053	0.5
83.04971	0.6
85.02857	1.2
91.05453	1.9
93.03367	0.9
95.04952	2.4
97.02870	1.2
102.74381	0.5
105.03379	1.9
105.07000	0.7
107.04957	1.6
107.68639	0.6
109.02851	1.8
111.00782	3.2
111.04435	5.2
115.05404	0.9
117.07008	0.6
119.04933	1.7
121.02863	3.3
123.04414	49.6
124.04818	0.6
127.03912	3.1
131.04912	1.4
135.04387	14.5
137.02301	1.7
137.05934	2.2
139.03882	100.0
140.04196	1.7
145.06395	1.3
147.04404	5.3
149.02313	2.1
149.05981	1.9
150.07744	8.5
151.03886	6.4
153.01794	0.9
153.06950	1.0
155.04813	0.7
159.04358	1.5
161.02283	1.1
161.05988	1.9
163.03882	18.6
165.01793	1.0
165.05466	4.2
167.03386	12.6
167.04758	0.5
169.06525	0.9
171.04324	0.6
173.05928	1.9
175.03874	8.0
177.05460	6.8
179.03366	9.0
181.05000	1.3
181.06532	1.7
185.05852	1.3
187.03868	4.2
187.07533	0.6
189.05478	5.5
191.03365	25.1
193.04961	9.4
197.05965	0.9
200.04733	0.6
201.05443	9.4
203.01476	1.1
203.03369	18.8
203.07214	0.6
205.04950	3.6
209.05917	1.5
213.05510	3.0
215.03409	2.3
215.07007	1.0
217.04889	3.9
217.06679	0.6
227.06889	1.3
229.04929	11.6
230.05881	0.6
231.06595	1.3
233.04427	11.8
237.05452	0.7
241.04967	3.5
243.06357	0.8
245.04443	11.3
247.05986	16.5
251.05505	4.4
255.06485	4.3
257.04395	19.5
258.05139	1.8
259.06021	9.7
265.04694	0.6
268.68860	0.6
269.04501	2.2
271.05984	4.5
273.07693	0.6
275.05463	35.3
276.05756	0.9
279.45535	0.6
283.05957	15.0
287.05457	59.1
288.05814	1.7
289.06805	0.7
295.11496	0.8
299.05478	4.6
301.07037	12.3
331.83585	0.6
367.07935	0.7
379.08157	0.8
391.07986	2.1
409.09088	21.3
427.10553	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.102
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
51.02371	0.8
53.03939	1.0
55.01857	4.4
60.05987	0.7
65.03938	0.9
67.01857	1.2
67.05505	1.9
68.99779	9.2
69.03410	0.9
71.01353	1.6
71.01701	1.1
72.08137	1.5
77.03896	0.7
79.05473	1.5
81.03406	0.9
83.04948	0.9
85.02876	1.3
91.05460	1.9
93.03384	0.7
95.04959	2.2
97.02870	1.2
105.03381	1.7
105.07028	1.1
107.01288	1.0
107.04945	2.0
108.57563	0.7
109.02911	1.4
109.06527	0.8
111.00791	4.1
111.04420	4.2
111.87831	0.6
115.05431	1.1
115.49325	0.9
119.04919	1.8
121.02844	3.7
123.04412	55.8
127.03883	3.8
129.06975	1.2
130.12637	0.6
131.04895	2.1
135.04398	16.1
137.02333	1.4
137.05946	2.6
139.03888	100.0
140.04288	1.3
141.06908	1.1
145.02827	1.2
145.06476	1.4
146.01172	0.8
147.04396	5.3
149.02336	2.2
149.05927	1.8
150.07738	8.0
151.03893	7.5
153.01784	1.1
153.06976	1.2
157.06480	1.4
159.04471	1.0
161.04666	0.7
161.05908	3.4
163.03889	23.8
163.05252	1.4
165.05449	4.9
167.03386	14.3
169.06549	1.0
171.04295	1.0
173.05959	2.2
175.03897	7.4
177.01749	0.7
177.05501	6.1
179.03357	9.6
181.06516	1.4
183.04475	1.0
185.05972	1.9
187.03896	5.0
189.05455	7.1
191.03371	33.9
193.04980	9.0
197.06004	1.3
199.04068	1.1
199.07564	0.7
199.31129	0.8
201.05450	9.7
203.03369	23.9
203.07103	1.0
203.12793	0.8
205.04916	6.2
209.06055	1.2
213.05540	4.0
215.03366	2.7
215.07079	1.2
217.04967	3.8
227.06976	1.5
229.04951	15.8
230.05661	1.2
231.06438	1.9
232.38409	0.7
233.04407	14.3
237.05522	0.8
241.04985	4.3
243.06488	1.1
245.04413	12.5
245.06740	0.9
247.06012	19.2
247.08461	1.4
251.05437	4.8
255.06497	4.2
257.04431	26.6
258.05054	2.9
259.05994	12.1
263.16595	0.7
265.04956	0.9
269.04507	3.5
271.06003	6.1
275.05463	40.6
276.05789	1.0
283.05984	15.4
287.05472	60.7
288.05984	1.8
289.07080	2.3
295.11404	1.6
299.05447	3.3
301.07056	11.2
308.68619	0.7
391.08096	1.7
401.85843	0.7
409.09100	29.5
410.09174	1.4
427.10391	2.7
427.19522	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1021
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
51.20541	0.6
55.01863	4.0
55.05527	0.6
65.03942	1.2
67.05499	1.8
68.99789	6.1
69.03407	1.3
69.07043	0.7
70.06586	0.9
71.08237	1.8
77.03930	1.0
79.05458	1.0
81.03429	1.0
81.07043	1.7
85.02883	1.9
91.05517	1.5
93.03396	0.8
94.04004	0.7
95.04961	2.4
95.08650	0.6
97.02866	1.2
105.03381	1.4
107.04957	3.0
109.02870	1.8
111.00800	3.0
111.04426	4.1
112.07608	0.7
119.04925	2.2
121.02840	3.2
121.06461	1.1
123.04418	53.1
127.03924	3.7
128.06209	0.8
131.04916	1.3
135.04407	16.4
137.02327	1.0
137.05972	2.2
139.03893	100.0
140.04266	1.5
141.01831	1.1
143.04810	0.8
145.06456	0.8
147.04395	4.9
149.02306	1.7
149.05980	2.2
150.07741	53.0
151.03876	5.6
153.01807	1.0
153.06947	2.4
155.45894	0.6
157.06581	0.8
159.04367	1.5
161.02385	0.8
161.05952	2.7
163.03894	18.4
165.05502	3.4
167.03389	10.8
169.06439	0.7
171.04395	1.1
173.06004	2.5
175.03900	7.6
177.05463	6.1
179.03384	10.9
181.04945	1.1
181.06467	2.2
185.05948	1.7
187.03938	3.4
189.05408	3.8
191.01645	1.4
191.03371	26.2
193.04945	8.7
197.05986	0.9
199.07541	1.1
201.05461	8.1
203.03386	19.5
203.07060	0.9
204.03882	0.7
205.04970	4.2
207.06476	0.7
209.05914	0.8
213.05504	3.3
215.03415	2.7
215.06926	0.6
217.04982	3.5
227.07071	1.5
229.04941	11.1
229.16182	0.7
230.05670	1.0
231.06526	1.9
233.04442	11.1
241.04944	2.7
245.04457	9.6
247.06009	14.3
247.16920	0.7
251.05513	6.0
255.06464	4.3
257.04449	20.6
258.05072	1.7
259.06021	7.9
265.11670	0.7
265.15378	1.1
269.04510	2.0
271.05978	3.7
273.07669	1.1
275.05478	36.5
276.05981	1.1
283.05981	17.6
287.05481	61.9
288.05817	1.4
289.07101	0.8
295.11499	12.5
299.05487	5.1
301.07047	14.5
391.07922	1.2
409.09189	23.8
427.10440	1.8
427.19589	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.3
57.04544	0.6
61.28897	0.2
68.99784	0.5
69.03410	0.2
69.63833	0.3
69.64232	1.3
70.06564	0.5
81.03416	0.2
81.07110	0.2
91.05476	0.2
94.04063	1.5
95.04918	0.2
98.20808	0.2
105.05851	0.2
107.04959	0.3
109.35008	0.2
111.04405	0.2
112.05076	0.2
112.07610	0.2
121.02910	0.2
123.04433	3.2
123.06657	0.8
127.03910	0.2
135.04407	0.7
135.05344	0.2
139.03896	5.8
147.04411	0.3
150.07739	100.0
151.03896	0.3
151.08051	0.8
161.05948	0.2
163.03915	1.3
167.03360	0.7
175.03889	0.6
177.05475	0.4
179.03368	0.6
187.03850	0.4
189.05482	0.3
191.03387	1.9
193.05016	0.5
193.28693	0.2
201.05479	0.5
203.03378	1.3
229.04907	1.1
233.04460	0.8
245.04411	0.5
247.06140	1.2
251.05585	0.3
255.06270	0.2
257.04425	1.8
258.05219	0.3
259.06003	0.4
271.06018	0.5
275.05420	2.1
282.11902	0.5
283.05984	0.7
287.05490	2.6
295.11487	18.0
296.11789	0.2
301.07080	0.7
381.08984	0.2
409.09128	1.7
427.10449	0.3
427.19794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31117	0.6
55.05515	0.9
67.05493	2.0
69.03417	1.1
69.07041	2.2
70.66032	2.6
71.60758	0.8
79.05481	1.6
81.07047	5.8
83.04974	1.0
83.08614	1.4
85.62624	0.8
91.05455	1.8
93.07022	3.0
95.04948	1.2
95.08587	3.7
97.09517	0.7
105.07018	3.0
107.04989	1.4
107.08575	2.5
109.02874	1.5
109.10139	2.0
110.02336	0.7
117.09676	0.6
119.08567	1.7
121.06527	1.3
121.10126	1.6
123.04434	1.3
123.11679	1.5
125.05968	0.7
125.09602	1.0
127.03870	0.8
127.07520	0.8
131.08578	1.9
133.10085	1.3
135.08099	1.0
135.11731	1.2
139.03860	1.6
139.98712	0.7
145.10075	1.2
147.04259	0.9
147.11674	1.3
151.03900	0.8
151.07506	2.4
157.10118	1.2
161.09639	0.8
163.03917	1.3
165.09087	3.4
166.09488	1.4
167.07005	1.5
173.13229	1.0
177.05513	0.7
177.09116	1.0
189.09201	1.2
191.10617	1.1
205.12199	1.1
287.05380	1.0
397.16272	8.2
397.20972	1.3
426.30472	0.8
427.17267	100.0
428.17520	4.7
451.30768	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83356	4.2
55.05493	4.2
67.05496	12.0
69.03425	5.2
69.07046	11.2
69.54766	4.2
71.52618	7.6
79.05474	12.3
79.11990	4.8
81.07024	17.2
91.05462	11.7
93.06474	4.0
93.07043	15.0
95.04972	6.3
95.08599	11.3
97.10152	4.1
98.97582	12.1
105.07029	32.5
107.08586	16.4
109.06487	9.8
116.98615	11.9
119.08572	11.4
121.10101	12.9
123.11676	6.2
131.08543	20.7
133.06490	10.6
133.10098	14.7
134.99634	13.1
135.08029	6.9
137.05934	26.2
143.08440	4.6
145.06422	8.8
145.10075	15.8
151.07529	32.8
152.20067	5.0
158.10907	6.7
159.07979	11.0
159.11676	10.0
165.05457	63.2
165.09094	23.3
173.09715	5.4
173.13274	30.9
177.09099	6.8
185.09457	5.0
187.07486	18.7
187.14845	5.9
188.08266	6.7
191.14297	67.9
193.08543	4.7
197.01210	4.7
205.15849	8.4
215.14236	5.8
224.03448	9.6
233.08070	49.8
233.15408	17.9
241.00096	4.5
263.05847	8.9
281.06918	20.3
351.15735	7.9
367.18948	5.4
409.23697	100.0
427.18436	23.9
427.36130	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
56.75034	0.6
57.07065	0.9
67.05494	1.5
69.07066	9.6
73.06556	2.4
79.05489	0.8
81.07050	1.9
83.04969	0.7
86.09698	100.0
87.10046	1.5
91.05485	0.8
93.07021	0.9
95.08604	1.5
109.10122	0.8
119.08576	1.6
131.33435	0.7
139.18213	0.7
151.07529	1.3
152.77779	0.7
165.09105	1.1
168.13791	1.3
186.14879	77.3
187.15285	2.2
191.10667	0.7
202.81223	0.7
214.14362	28.6
231.65671	0.6
246.79753	0.7
283.14297	0.8
314.19556	10.6
399.28439	5.5
405.60056	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.05506	8.4
57.06827	0.4
57.07069	4.7
58.23737	0.3
65.65775	0.3
67.05498	4.4
69.07060	22.1
69.52716	1.3
69.53186	0.9
70.07378	0.4
71.08615	2.4
79.05473	2.0
81.06590	0.4
81.07046	6.9
83.04984	0.5
83.08611	8.9
83.80765	0.3
85.10157	1.1
91.05447	2.0
93.07044	2.8
95.08051	0.5
95.08598	6.0
97.10159	5.0
98.20752	0.5
105.07008	1.0
107.04951	0.3
107.08585	2.9
109.06477	0.6
109.10148	6.1
111.11710	2.9
117.06985	0.5
119.08569	3.5
121.06483	0.4
121.10104	1.8
122.07262	1.2
123.08057	1.0
123.11709	2.0
125.05955	0.6
125.13263	0.9
129.06956	0.4
131.08560	1.2
133.10088	0.9
135.08041	2.7
135.11688	1.1
136.08743	0.3
137.05934	0.5
137.09596	9.7
137.13229	0.9
139.07527	1.2
145.10103	1.2
147.11647	0.4
149.09601	8.9
149.13217	0.9
150.09921	0.4
151.07526	2.6
156.09358	0.5
159.08055	0.7
159.11681	0.9
160.08864	0.7
161.09602	1.1
161.13188	0.4
162.06746	0.8
163.07492	1.1
163.11154	5.4
163.14810	0.3
165.09093	100.0
166.09453	1.8
171.11668	0.7
173.09569	1.4
173.13223	0.7
174.10320	0.4
175.07536	2.8
175.11137	1.8
176.08284	1.2
177.09093	6.7
177.12733	1.1
179.10606	1.7
185.13275	0.5
186.10387	0.4
187.11169	2.0
188.08409	0.3
189.09079	3.8
189.12753	1.2
190.09831	0.9
191.10660	6.8
199.11111	0.5
201.12720	1.3
202.09857	0.4
203.10654	7.0
203.14337	1.3
204.11325	0.7
205.12219	10.7
215.14226	0.3
217.12230	1.1
219.13815	2.7
225.85701	0.3
229.12379	0.3
231.13716	1.6
233.15317	1.0
245.15378	0.7
254.47371	0.3
273.18314	0.4
289.21506	0.4
301.21719	0.5
303.23236	0.4
345.27826	0.6
371.29559	0.4
399.32501	1.0
409.34430	0.7
412.33249	0.4
427.15393	1.0
427.35690	8.3
428.16003	0.9
428.36139	0.9
434.47665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.3
56.30770	1.1
56.82083	1.2
57.07055	5.0
67.05481	4.4
69.07064	23.3
70.95310	2.4
71.08625	2.6
79.05468	2.7
81.07036	9.7
83.08611	9.3
85.10188	1.3
91.05444	2.4
93.07021	3.7
95.08613	8.0
97.10152	5.8
105.07024	1.4
105.26120	1.1
107.08580	3.8
109.10138	5.9
111.11681	2.5
119.08540	3.3
121.10114	3.0
122.07233	1.8
123.11723	1.3
133.10114	1.9
135.08060	2.0
137.09602	9.6
143.08662	1.3
149.09587	10.0
149.13129	1.5
151.07520	3.3
159.08105	1.4
163.07555	1.7
163.11205	6.1
165.09102	100.0
166.09439	1.8
167.07039	2.2
175.07475	2.2
175.11215	2.7
177.09088	7.7
179.10626	1.6
187.07668	1.3
188.08263	1.6
189.09016	3.1
191.10648	6.2
201.12720	1.4
203.10591	7.1
205.12247	12.1
217.12251	1.4
219.13760	2.1
231.13612	1.4
233.15277	2.1
317.24582	1.4
345.27979	1.9
412.32782	1.3
427.35806	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3566
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
53.03938	4.1
55.05505	32.3
55.21024	2.6
55.49447	3.0
55.87227	2.6
57.07055	10.7
58.59016	2.5
67.05494	24.5
69.07065	39.5
71.08600	9.4
71.52812	2.6
71.53177	4.6
71.53534	4.0
79.05478	18.8
81.07050	49.9
83.04930	4.8
83.08605	33.5
84.01173	2.4
85.06492	2.7
91.05471	21.3
93.07034	30.9
95.04971	3.3
95.08592	56.5
95.22021	3.6
97.06480	4.7
97.10162	13.8
99.08014	3.1
105.07021	39.8
107.08581	43.0
109.06478	5.6
109.10152	34.6
111.08063	3.2
111.11686	4.8
117.06998	10.2
119.08567	36.0
121.06457	3.4
121.10124	31.7
123.08006	5.6
123.11674	14.7
127.11190	10.5
128.06189	2.8
129.06996	5.7
131.08539	20.5
133.10109	31.8
135.08043	5.0
135.11690	17.0
137.09680	3.5
137.13210	15.8
143.08542	13.0
145.10114	34.5
147.04353	4.7
147.11671	35.9
149.13225	20.8
151.07520	6.1
155.08504	5.4
155.14279	15.3
157.10152	17.8
159.11678	46.8
161.13243	34.9
163.11166	4.5
163.14726	7.7
165.05534	5.4
165.09142	5.4
169.10103	6.8
171.11662	20.2
173.13242	23.8
173.59976	2.7
175.11220	6.7
175.14803	12.5
177.12715	9.3
183.11615	6.4
185.13232	12.9
187.07489	10.9
187.14769	8.6
189.12701	3.6
189.16389	4.7
195.11588	4.9
197.13231	11.4
199.14777	9.5
201.16405	7.0
209.13234	4.9
211.14780	10.9
213.16373	15.5
215.17873	6.7
217.19476	4.7
225.16364	5.8
227.17903	6.8
231.17433	3.7
233.08046	27.3
237.16263	4.8
239.17731	3.4
241.19479	7.4
243.20825	3.6
251.17845	4.5
253.19547	11.4
255.17348	5.1
255.21164	5.3
261.22086	3.8
269.18961	12.7
271.20532	11.9
281.22522	3.8
287.19849	3.8
289.21591	4.0
293.22394	3.3
295.24243	3.6
311.23514	4.7
349.29117	3.2
369.31479	3.1
382.20502	3.2
391.33478	14.1
397.34503	6.7
409.34616	100.0
409.40073	5.0
427.17566	6.9
427.35764	59.8
429.23300	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3932
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
53.03934	2.9
54.68298	1.8
55.05504	18.8
55.58764	1.9
57.07054	10.3
57.19255	2.0
66.88055	2.1
67.05498	33.8
69.07062	55.0
69.25900	10.5
69.26324	10.6
71.08607	3.8
79.05477	16.2
81.07048	100.0
83.08615	22.1
85.06501	2.6
89.98721	1.7
91.05458	13.0
93.07034	30.0
95.04951	2.1
95.08598	90.6
96.35908	1.9
97.10167	10.4
99.08066	2.3
105.07021	21.5
107.08581	42.2
109.06503	2.6
109.10144	72.4
111.08064	3.5
111.11703	7.5
119.08575	29.1
121.10127	36.9
123.11687	41.5
125.09655	3.2
125.13238	4.0
131.08556	6.6
133.10118	21.4
135.11679	26.4
137.13245	26.5
145.10095	5.9
147.11655	15.8
149.13237	25.8
151.07512	2.4
151.11172	3.0
151.14787	5.9
159.11679	7.6
161.13243	16.9
163.14810	16.5
165.05489	5.7
165.09084	3.5
165.12679	2.3
173.13237	6.7
175.14819	9.8
177.16383	13.9
179.14346	5.1
179.18027	2.6
185.60390	1.9
187.14774	3.6
189.16454	6.4
191.17868	10.0
193.15807	4.4
193.19455	3.4
201.16360	3.1
203.17894	10.5
205.19533	6.2
215.17824	4.2
217.19518	9.2
221.18933	3.5
229.19464	5.3
231.21111	3.8
233.08101	7.7
233.22540	2.5
235.20546	3.2
271.24210	3.5
285.25861	2.1
289.25433	2.5
299.27408	2.1
301.28790	2.2
353.31900	2.5
367.33484	2.2
409.38065	13.4
427.39304	61.1
428.39096	2.8
443.07736	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	428.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.6
57.03432	9.3
57.07069	17.7
60.91842	4.1
61.02923	5.8
67.05494	5.1
69.03427	26.9
70.06583	4.2
71.04990	22.8
71.52850	5.9
73.75866	3.6
74.06052	4.0
79.05482	9.4
81.03407	18.1
81.07040	7.7
83.04982	7.9
84.04496	16.6
84.08131	4.7
84.56065	3.3
84.87723	3.5
85.02900	66.6
87.04486	5.1
89.42230	3.4
91.05482	14.4
93.07034	11.3
94.06569	5.6
95.04994	7.3
97.02888	18.4
98.06045	6.1
99.04450	5.0
100.07604	6.6
104.07084	7.2
105.07047	22.1
107.04967	8.5
107.08582	8.5
107.65237	3.7
108.08123	22.5
109.02856	11.7
109.06499	11.0
110.06019	10.0
111.04440	5.0
117.07014	5.6
119.08555	20.0
121.06496	8.4
121.10140	23.8
122.09621	6.6
123.04432	19.7
123.08057	8.5
123.11687	16.6
124.07595	7.3
126.05502	15.5
127.03911	24.8
129.05472	9.1
131.08530	6.8
133.06404	4.5
134.07121	7.2
135.04385	6.7
135.07961	4.1
137.05998	4.6
139.03893	17.8
140.07097	6.1
143.08543	6.0
145.10106	16.0
146.09578	5.7
147.04439	4.5
147.06602	3.9
147.08037	13.7
147.11691	7.7
149.09612	100.0
151.03882	10.1
151.07553	4.6
162.12781	5.3
163.03905	28.9
163.11269	5.2
164.04196	6.0
164.10692	4.6
167.10684	12.1
171.11732	6.3
172.11186	8.1
179.03329	4.3
187.11107	4.8
188.14345	14.8
189.12752	20.4
193.08527	4.1
204.08699	29.9
204.13889	11.6
205.12270	6.4
206.15384	15.4
207.13799	9.5
212.14371	7.0
222.09634	4.8
229.10654	10.5
230.05324	4.3
230.15407	33.3
247.11726	5.8
248.12837	5.8
248.16464	35.2
260.06192	5.0
266.14505	5.6
266.17490	54.4
273.07651	4.3
277.07135	6.2
290.07318	6.7
302.07294	4.7
303.08450	9.9
359.03000	5.2
368.20377	4.7
410.09354	12.9
410.21661	29.7
428.22989	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54841	3.0
52.14187	3.0
55.01884	3.5
55.05502	4.7
57.03428	5.0
67.05494	6.2
69.03420	37.6
69.07080	5.8
69.38497	22.2
73.02913	3.7
77.95957	2.9
79.05482	9.7
81.03385	5.5
81.07055	13.3
83.04980	4.4
85.02897	15.3
85.06551	5.3
87.04504	6.2
87.04981	2.8
87.44172	2.8
91.05449	8.0
93.07014	15.2
95.04968	7.7
95.08601	10.2
96.08939	3.3
97.02878	7.6
97.06539	3.2
105.07039	16.2
107.04971	7.2
107.08559	8.3
109.02893	6.4
109.10114	3.0
115.03990	2.9
117.06947	3.6
119.08572	9.4
121.10145	6.1
123.04440	7.6
127.03947	5.2
128.06236	3.3
129.07021	5.4
133.10101	11.4
137.06006	8.2
137.09610	4.1
139.03912	12.7
142.07753	3.5
143.08559	12.7
145.04900	3.8
145.10126	9.8
146.06004	5.8
147.04419	9.8
147.08090	4.2
151.03918	5.9
156.09282	8.1
157.10164	9.7
159.08075	4.6
159.11734	5.5
161.62865	2.9
163.03896	12.0
165.05550	6.9
165.06989	12.1
167.07074	7.0
170.10912	10.9
171.08058	5.4
171.11728	9.3
174.45822	3.1
175.07573	14.0
180.06583	24.2
180.09270	21.0
183.08133	4.4
185.13248	16.0
189.09142	3.9
195.11636	28.0
198.10353	17.6
213.12729	100.0
231.13777	86.4
232.14101	4.9
359.02896	3.4
410.16400	6.1
428.17950	21.2
428.23370	5.1
429.21042	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	428.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30995	1.3
53.03936	1.8
54.88737	1.1
55.01869	8.0
57.03179	1.5
57.03434	16.9
59.29638	1.0
61.02927	12.3
69.03425	30.3
69.76765	7.5
71.01346	3.7
71.04981	1.7
73.02911	70.8
81.03426	5.8
85.02898	100.0
87.04431	4.1
91.03938	5.0
93.07002	1.5
95.04918	1.5
97.02885	51.3
97.03513	2.8
99.04466	5.6
99.59673	1.1
103.03924	3.4
109.02901	8.9
115.03915	22.9
121.00245	1.4
121.02851	1.9
123.04418	2.6
127.02957	2.5
127.03905	36.0
133.04955	33.9
133.05969	1.6
137.67780	1.2
145.04950	55.8
150.07587	3.9
151.03844	2.1
163.03893	1.3
163.06009	26.5
199.06027	1.7
223.06032	5.3
233.10034	1.3
241.07031	7.3
259.08124	5.4
279.17889	2.1
428.17770	1.4
428.23312	1.6
437.55838	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30995	1.3
53.03936	1.8
54.88737	1.1
55.01869	8.0
57.03179	1.5
57.03434	16.9
59.29638	1.0
61.02927	12.3
69.03425	30.3
69.76765	7.5
71.01346	3.7
71.04981	1.7
73.02911	70.8
81.03426	5.8
85.02898	100.0
87.04431	4.1
91.03938	5.0
93.07002	1.5
95.04918	1.5
97.02885	51.3
97.03513	2.8
99.04466	5.6
99.59673	1.1
103.03924	3.4
109.02901	8.9
115.03915	22.9
121.00245	1.4
121.02851	1.9
123.04418	2.6
127.02957	2.5
127.03905	36.0
133.04955	33.9
133.05969	1.6
137.67780	1.2
145.04950	55.8
150.07587	3.9
151.03844	2.1
163.03893	1.3
163.06009	26.5
199.06027	1.7
223.06032	5.3
233.10034	1.3
241.07031	7.3
259.08124	5.4
279.17889	2.1
428.17770	1.4
428.23312	1.6
437.55838	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.9
57.03416	0.7
61.02912	0.6
68.36880	0.5
69.03415	2.0
71.46440	0.6
73.02894	0.7
73.04739	0.9
81.03412	0.9
85.02917	2.5
87.04463	0.7
91.05811	4.7
97.02900	2.3
98.97572	5.3
101.02345	0.5
107.04929	0.6
109.02883	0.5
110.97546	0.7
115.03902	0.6
116.86632	0.4
116.98605	2.9
119.01916	0.8
121.06513	0.7
123.04391	0.6
123.51845	0.4
127.03956	0.9
128.98621	0.9
131.01897	0.7
134.99611	1.5
137.05969	0.8
139.03862	0.4
143.03345	0.6
146.99658	0.9
149.05998	0.6
158.99672	1.1
159.05092	0.4
161.01189	0.5
163.03900	1.1
164.05193	0.6
167.05557	2.3
167.07048	1.5
173.68369	0.5
177.00662	1.8
177.05470	1.0
183.41286	0.4
189.00682	0.8
189.03949	1.0
201.00966	0.5
213.00766	0.5
219.01752	1.6
223.05492	0.9
226.06009	0.7
227.06799	1.6
232.06021	0.8
237.02786	3.3
244.04306	0.9
272.10016	0.5
279.03879	1.1
309.08609	1.2
317.07022	1.4
331.06784	0.5
343.00122	0.6
359.02682	2.7
411.12616	5.2
429.13669	100.0
430.14029	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	429.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.9
57.03432	0.7
57.41812	0.5
63.51622	0.5
69.03423	1.0
71.52655	0.9
73.04749	1.9
85.02888	2.3
88.67507	0.5
89.03918	0.6
91.05807	5.8
97.02898	1.2
98.97559	1.0
102.57549	0.5
109.02867	0.5
111.04401	0.8
115.03896	0.6
116.98618	1.1
117.54656	0.5
123.04416	1.5
127.03949	0.6
136.06157	4.1
139.03912	0.6
147.04422	1.0
161.01093	0.5
163.03896	1.4
167.05540	2.7
167.06891	0.9
177.05473	0.8
197.08122	0.7
226.06013	0.7
227.06604	0.6
237.02733	0.9
293.11096	0.5
306.99002	0.5
342.99722	1.0
343.79443	0.5
359.02850	4.2
360.02917	0.7
429.13657	100.0
430.13831	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	429.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34683	2.3
53.03936	8.3
55.01862	6.5
55.05501	13.6
57.03424	6.2
62.95724	2.3
65.03933	3.8
67.05505	17.8
69.03423	27.4
69.07056	6.1
69.39768	15.0
69.40176	5.8
71.01347	2.5
73.02906	2.0
76.05770	2.4
79.05483	27.8
81.03419	23.7
81.07050	24.0
82.19872	2.1
83.04951	4.7
85.02891	12.8
85.80582	2.1
91.05458	44.1
93.07036	70.7
95.04960	12.1
95.08598	23.6
97.02866	7.6
97.06530	4.2
97.10178	2.7
103.05460	9.7
105.07017	22.2
107.04934	5.3
107.08579	22.2
109.02877	19.1
109.06532	5.0
109.10162	27.8
110.03658	4.7
111.04443	8.8
111.08067	4.3
115.05457	7.8
117.07012	9.1
119.04946	16.2
119.08559	16.6
121.02937	2.2
121.06501	21.1
121.10135	48.0
123.04422	10.4
123.08081	8.5
123.11755	3.7
125.02301	5.3
125.09673	2.6
127.03933	9.3
128.06221	8.2
129.06992	10.6
131.04938	6.4
131.08543	11.1
131.13643	2.7
131.93544	2.8
133.06482	6.5
133.10136	4.7
135.04416	3.3
135.08047	7.4
137.05968	24.8
137.09576	5.4
141.06981	4.9
143.08553	13.3
145.06445	17.3
145.10138	3.9
147.04395	43.3
147.08046	5.4
148.05014	2.4
149.05966	45.5
149.09612	20.3
151.07529	9.1
152.06172	2.3
153.06967	6.1
155.08534	8.3
157.06487	8.8
157.10109	4.0
159.08092	15.9
159.11618	2.8
160.05183	3.2
161.05946	28.5
161.09590	2.9
163.07578	9.0
165.05476	100.0
165.06836	5.7
166.07738	2.1
167.07031	15.2
167.08429	4.1
169.06464	5.4
171.04327	2.5
171.08060	10.7
173.05977	31.9
173.09584	4.8
174.06679	2.6
175.07509	15.7
177.05411	11.1
177.09114	5.8
179.07043	4.3
179.08504	3.4
181.04999	5.2
181.06384	4.7
181.10100	3.5
183.08061	10.1
184.05185	2.5
185.05984	7.1
185.09647	3.0
186.06767	3.2
187.07539	27.7
189.05452	11.3
189.09081	23.8
190.06308	6.4
191.07030	54.0
191.08766	3.4
193.10098	2.5
195.08075	4.0
197.05954	5.4
197.09613	3.1
198.06747	4.6
199.07552	16.1
199.11116	3.2
201.05473	11.1
201.09061	14.1
202.06207	2.6
203.06998	17.4
203.10637	3.5
205.06677	2.4
205.08594	9.8
207.10120	2.7
209.06009	3.1
209.09677	2.4
209.13387	2.3
211.07516	9.9
213.05484	2.5
213.09109	10.8
215.07014	15.5
215.10706	5.1
217.08553	17.5
221.07994	3.6
225.09113	4.3
225.12885	2.5
227.07076	9.0
227.10713	3.9
229.08586	21.8
229.12239	6.1
231.06500	3.9
231.10081	5.9
233.08032	27.3
237.09155	4.2
239.07036	7.8
239.14418	3.2
241.08546	6.2
241.12151	2.6
245.08102	20.9
249.12764	2.9
251.10522	5.0
251.12750	3.0
253.08563	2.8
253.12292	4.1
255.10133	4.0
257.08008	23.2
257.15274	11.0
263.09024	11.5
267.10193	4.0
267.13873	4.3
269.08206	3.1
269.11658	4.7
269.15100	2.8
271.09738	3.4
273.11218	7.0
275.09024	12.8
279.10098	2.9
281.15491	3.3
285.14905	21.0
297.11227	9.1
297.14566	2.8
299.16400	3.4
309.11679	2.4
309.14694	12.4
313.14331	9.0
315.12167	6.6
327.15912	7.4
331.15359	6.0
338.14960	2.9
341.17416	6.1
351.15753	3.6
355.15332	6.5
359.02762	3.2
365.17404	6.9
369.16937	9.0
375.15860	3.1
383.18515	7.2
393.16885	16.9
401.10162	2.4
411.17978	52.0
412.18176	5.8
429.19067	57.7
429.25403	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38056	0.4
55.05510	0.7
62.06093	0.4
65.43774	0.4
67.05485	0.7
69.03412	1.1
70.06609	0.4
71.52687	0.4
71.53057	0.6
73.04756	0.8
81.03424	0.5
83.05012	0.6
84.04502	0.5
85.02905	1.8
91.05817	3.6
92.41570	0.4
97.02878	0.7
98.06077	0.4
98.89362	0.5
103.73254	0.4
105.07002	0.5
107.04927	0.8
107.08594	0.5
109.02895	0.5
122.10542	0.4
123.04420	1.2
123.08131	0.5
127.03872	0.7
133.10091	0.9
135.04381	0.5
135.08041	0.5
137.05952	0.5
139.03891	0.7
143.01926	0.4
143.03580	0.4
145.10162	0.4
147.04332	0.7
150.71130	0.4
152.07047	0.6
161.02980	0.7
163.03857	0.9
167.05547	1.5
167.06882	0.5
197.06097	0.6
214.61401	0.4
250.17783	0.4
291.14331	1.0
359.02917	1.6
429.20929	100.0
430.16492	0.7
430.21378	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	429.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.3
55.05505	11.9
57.03429	16.9
67.05498	13.0
69.03429	32.4
69.07055	10.2
70.65753	13.8
71.04972	4.9
71.08600	4.3
79.05475	16.1
81.03412	69.7
81.07038	17.6
81.43971	4.5
83.04983	25.4
83.08612	17.9
85.02905	26.0
91.05449	19.7
93.07016	11.6
93.20348	4.4
95.04966	21.0
95.08588	11.0
97.02888	43.5
97.06505	4.7
99.04459	8.3
101.86085	3.9
102.95452	4.0
103.55157	3.8
105.07003	16.4
107.04961	8.8
107.08547	12.0
109.02870	17.3
109.06520	7.0
109.10117	4.1
111.04388	7.6
111.08089	7.3
113.06055	4.2
119.08569	17.5
121.06464	4.8
121.10107	12.8
127.03876	11.2
129.05486	8.2
129.06953	8.1
131.08574	11.2
133.10149	5.2
145.10104	5.3
147.11678	18.4
149.02243	5.4
149.09544	5.3
151.07545	5.6
151.70189	4.2
157.10107	10.0
165.09087	6.2
175.11154	12.0
193.12234	57.4
211.13281	100.0
227.12663	6.2
229.14229	5.6
249.14774	5.6
285.16821	5.1
355.17258	5.2
359.02750	5.2
428.41183	5.1
429.21271	49.3
429.31625	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	429.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51209	2.3
53.03927	9.6
53.04137	1.7
55.01849	5.1
55.05513	12.4
57.03432	17.9
59.99486	1.9
67.05499	15.8
69.03419	35.9
69.07045	6.7
71.04970	8.7
79.05485	11.7
79.05855	1.8
81.03406	85.9
81.07052	18.3
83.04961	25.7
83.08614	21.9
85.02894	25.7
87.04452	2.0
91.05434	15.0
93.07034	9.9
95.04954	21.1
95.08588	7.6
97.02295	3.5
97.02884	55.3
97.06506	5.1
97.10154	3.1
99.04434	8.5
105.07021	13.0
107.04959	5.0
107.08560	8.6
109.02872	18.1
109.06487	3.9
109.10131	5.7
111.04444	10.0
111.08047	9.5
119.08564	12.2
121.06489	2.2
121.10123	6.5
123.08055	3.2
127.03894	13.4
129.05431	7.8
129.06978	7.4
131.08516	8.4
133.10109	7.8
135.11668	2.2
142.07771	2.6
145.10095	3.6
147.08008	2.6
147.11664	15.3
149.02327	3.0
149.09531	4.2
157.10089	14.0
159.11716	2.6
163.11166	4.5
165.09093	4.5
165.12706	3.4
170.42137	2.1
175.11203	12.9
181.12299	2.9
191.10689	4.6
193.12210	66.2
211.13264	100.0
212.13533	2.8
227.12726	4.2
229.14207	3.7
249.14897	6.4
256.26154	2.3
285.16956	7.4
325.03326	2.4
337.16089	3.5
355.17413	6.7
429.12125	2.6
429.21155	61.0
429.31192	9.9
430.21600	3.3
432.80560	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	429.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03743	1.2
53.03943	11.9
55.01857	3.9
55.05503	13.1
57.03437	18.7
58.63640	1.3
66.84090	1.3
67.05177	1.4
67.05502	14.1
67.13676	1.4
69.03423	40.2
69.07054	5.8
69.34646	13.0
71.04978	8.9
73.02921	3.0
79.05485	15.7
79.31172	1.3
81.03411	98.1
81.07047	18.2
83.04969	28.1
83.08614	21.4
83.49013	1.2
85.02904	26.3
87.04430	2.3
91.05453	19.2
93.07044	12.4
95.04961	19.9
95.08608	9.4
97.02882	55.8
97.06527	4.1
97.10166	4.0
99.04451	8.2
99.08029	1.2
105.07030	17.1
107.04944	4.5
107.08598	7.5
109.02879	16.8
109.06527	4.4
109.10145	3.8
111.04415	9.6
111.08084	10.2
117.07001	1.9
119.08559	12.2
121.06485	1.9
121.10133	8.8
123.08031	1.5
123.11737	2.1
125.09619	2.2
127.03903	14.5
129.05496	7.1
129.07028	8.0
131.08528	9.4
133.06447	2.8
133.10110	7.2
135.11656	2.6
137.09613	1.8
142.07811	2.1
145.05017	1.6
145.10130	1.9
147.08101	1.9
147.11659	15.0
149.09593	5.7
151.07498	1.4
157.10114	11.5
163.11197	4.4
165.05443	2.1
165.09129	4.0
165.12791	1.9
175.11145	12.2
181.12216	2.4
183.06509	1.8
191.10693	3.9
193.12221	61.4
194.12529	1.6
211.13277	100.0
212.13574	2.4
227.12791	6.3
229.14325	3.1
249.14780	6.5
265.14310	2.4
267.15991	2.9
283.15582	1.4
285.16919	8.2
304.84952	1.4
311.27353	1.5
337.16348	3.2
355.17468	5.2
429.21188	53.9
429.31595	13.2
430.21277	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	429.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
53.53498	0.6
55.05499	2.2
55.34317	0.6
57.03426	4.7
57.07104	0.9
64.59015	0.6
67.05502	10.3
69.07064	3.0
71.52428	1.0
74.57900	0.7
79.05492	7.8
81.03396	1.1
81.07055	12.9
83.08605	1.9
85.06520	0.8
91.05419	4.6
93.07033	12.0
95.04975	1.4
95.08603	10.2
97.06515	1.1
105.07036	4.6
107.04906	0.9
107.08587	9.3
109.10155	4.3
113.00011	100.0
113.09582	0.8
117.07005	1.6
119.08583	3.9
121.10142	7.3
123.11721	2.4
131.01062	0.9
131.08540	4.4
133.10121	3.5
134.79541	0.8
135.08066	1.0
135.11665	6.2
137.09653	0.8
137.13222	1.8
139.01486	0.8
145.10091	4.2
146.07326	0.7
147.11694	2.6
149.09575	1.2
149.13246	4.4
151.07460	1.0
159.11665	4.1
161.13252	2.2
163.14828	4.2
165.09119	2.0
167.05463	0.9
169.02602	80.7
173.13269	3.3
177.09024	1.2
177.16376	1.1
187.14755	1.8
191.14232	1.4
193.05025	1.2
201.16396	1.4
209.15346	1.0
211.13304	1.1
215.10712	1.6
233.22617	1.4
236.01224	0.9
238.99977	1.0
243.21028	7.5
261.22122	21.0
262.22479	1.1
429.12198	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01853	2.1
55.05496	5.9
57.03130	1.4
57.03420	5.7
57.07052	2.5
67.05502	13.5
69.03412	5.6
69.07049	6.6
69.80227	2.4
69.80630	8.3
72.26631	1.6
79.05470	16.2
81.07046	27.1
83.04957	4.0
83.08607	3.0
91.05444	10.2
91.62046	1.7
93.07035	23.4
95.04952	6.8
95.08598	20.3
97.06547	3.0
98.21455	2.0
105.07001	16.7
107.04950	3.1
107.08587	24.3
109.10139	10.7
113.00007	100.0
117.06981	3.3
119.08555	12.2
121.06490	2.6
121.10127	27.5
123.08051	2.0
123.11685	6.1
131.08522	8.6
133.10121	6.6
135.08029	3.2
135.11673	13.7
137.09573	1.6
137.13254	3.4
143.08571	1.9
145.06442	2.0
145.10106	7.9
146.07185	2.3
147.11671	5.6
149.09630	2.1
149.13277	9.4
150.06693	2.3
151.07558	16.0
151.11140	1.6
153.09093	3.4
153.12790	2.0
157.06557	2.2
157.10141	2.3
159.08005	1.7
159.11694	8.7
160.08791	2.9
161.13210	5.2
162.06711	4.3
163.11121	3.6
163.14799	6.9
165.05388	5.5
165.09071	17.7
165.12769	1.8
167.05653	1.8
167.07047	3.1
169.02591	90.6
170.03023	2.0
171.08047	3.3
173.13249	4.9
175.14771	1.6
177.09122	9.1
177.12718	5.2
177.16420	1.8
187.14771	1.7
188.08327	3.8
189.09108	3.5
190.06131	1.6
191.10658	9.9
191.14273	2.3
191.18054	2.0
193.08640	11.0
201.09053	1.8
201.16335	5.0
202.09885	2.7
203.10635	6.2
205.08592	2.5
209.13580	1.9
209.15375	9.8
211.09512	3.6
215.10646	18.8
216.10905	1.7
217.12268	4.7
219.17416	11.0
222.35185	1.5
229.12236	2.8
233.22545	2.1
241.12273	2.3
243.21037	6.5
245.11620	1.9
251.27077	1.6
257.15372	1.7
261.22137	22.3
275.23886	1.9
411.25174	4.0
429.26208	4.1
439.92706	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	429.263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	8.4
57.03421	4.4
57.07058	4.7
59.22425	3.4
63.12581	3.8
67.05501	21.5
69.03407	11.3
69.07056	19.3
69.66497	26.5
71.04971	6.4
76.33784	3.5
79.05483	24.2
81.03380	7.4
81.07047	51.0
83.04963	16.8
83.08593	8.8
91.05459	16.1
93.07037	48.6
95.04958	8.6
95.08591	40.9
97.06506	7.2
99.62953	3.8
103.05510	5.1
105.07014	38.9
107.04942	5.5
107.08587	41.8
109.06499	4.7
109.10143	23.4
113.00003	96.7
117.07005	6.5
119.08564	34.6
121.06474	6.5
121.10132	100.0
123.08070	6.1
123.11703	17.9
125.09652	5.4
129.06979	3.9
131.08528	12.6
133.10109	20.2
135.08038	8.2
135.11650	17.9
137.09680	5.0
137.13231	10.0
138.03287	4.0
144.09259	3.9
145.10106	13.3
147.11665	12.7
149.09592	6.4
149.13235	12.3
150.06754	12.6
151.07521	45.4
159.08015	6.1
159.11723	18.2
161.13248	20.9
162.06754	13.7
163.11142	21.5
163.14876	4.5
165.05449	5.6
165.09082	68.4
169.02594	84.5
173.13295	5.2
175.07555	4.7
175.14778	9.3
176.81020	3.6
177.09097	8.9
177.12732	37.6
178.06323	3.3
188.08330	4.4
189.09128	4.9
191.10596	8.5
191.17949	11.9
193.05029	4.4
193.08571	58.2
193.12201	8.1
198.08093	3.7
201.09087	6.9
201.16405	24.5
202.09850	4.4
203.10625	7.8
205.08569	8.6
211.09634	29.8
215.10487	6.2
217.12148	7.3
219.17441	51.8
243.20941	8.7
261.22177	19.5
353.05627	4.8
411.25095	5.5
429.25827	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	429.3725
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.97109	0.7
55.05493	2.6
57.07073	15.6
62.34763	0.6
67.05508	5.6
69.07060	5.3
70.71202	2.0
71.08620	12.7
79.05475	2.0
81.07053	8.4
82.16903	0.7
82.50480	0.7
83.04981	1.0
83.08613	3.4
83.09067	0.6
85.10175	6.5
91.05464	1.8
91.79585	0.8
93.07014	2.1
95.08604	7.9
97.10149	1.6
105.07021	2.7
107.08582	4.2
107.78772	0.7
109.10129	6.3
111.04433	1.0
111.11652	0.9
117.06990	1.2
119.08582	2.4
121.06528	1.1
121.10127	4.3
123.08099	1.2
123.11683	1.3
131.08498	1.8
133.10098	2.1
135.08049	5.6
135.11684	2.1
136.82512	0.7
137.08682	0.7
137.09628	9.3
137.13229	0.7
139.07524	1.9
142.49994	0.7
143.08551	0.8
144.09373	0.9
145.10101	1.5
147.11633	1.1
149.09599	14.4
149.13272	1.1
151.07465	2.5
157.10178	0.8
159.08067	1.1
159.11676	2.9
160.08791	1.3
161.09633	1.3
162.06802	0.9
163.11172	22.5
165.09103	100.0
166.09390	1.1
173.09683	1.6
173.13203	1.7
175.07529	0.7
175.11169	4.7
176.08287	1.7
177.09084	12.0
177.12712	2.4
179.10663	1.6
186.10425	1.2
187.11194	3.5
187.14783	1.2
189.12680	2.3
190.09821	1.2
191.10666	13.3
201.12691	2.8
203.10622	1.5
203.14301	0.9
204.11383	0.9
205.12215	11.1
215.14296	1.8
219.13785	4.8
233.15329	2.4
247.16956	1.2
261.18451	1.2
275.20087	1.5
289.21658	1.6
303.23157	1.7
331.25882	0.8
345.27670	0.9
401.34131	1.6
411.36331	2.1
429.37262	32.3
430.37619	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3722
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05510	3.5
57.06786	1.2
57.07069	19.1
67.05498	6.5
67.79709	0.8
69.07063	4.5
69.38815	3.9
69.39243	2.4
71.08622	12.0
77.27812	0.6
79.05479	1.8
79.06139	0.7
81.07045	8.2
83.08601	3.0
85.10156	5.4
85.70566	0.6
86.88158	0.7
91.05460	3.1
93.07011	2.8
94.33917	0.8
95.08602	6.9
97.10126	2.0
98.20754	1.4
104.56397	0.7
105.07001	3.0
107.08563	5.4
109.10162	6.5
109.67096	0.7
111.11711	1.9
113.70570	0.7
116.06207	0.8
117.07001	0.9
119.08559	4.3
121.06478	1.5
121.10161	3.7
122.07273	1.4
123.11714	1.7
130.07799	0.7
131.08528	1.5
133.10094	1.6
135.08051	5.6
135.11707	1.8
137.09589	10.4
139.07515	2.0
145.10109	1.8
145.12737	0.9
149.09612	16.2
159.08040	1.3
159.11674	3.1
160.08829	1.4
161.09575	1.9
163.11156	20.2
165.09094	100.0
166.09355	1.8
173.09537	1.1
173.13167	2.1
175.07555	0.7
175.11154	6.1
176.08301	2.5
177.09103	12.4
177.12741	3.2
179.10689	2.1
186.10484	1.7
187.11186	2.8
187.14745	1.1
188.11816	0.9
189.09029	1.1
189.12720	2.4
190.09894	1.4
191.10663	10.6
191.14351	1.1
201.12737	2.6
203.10680	1.6
203.14232	1.0
204.11404	0.8
205.12219	11.7
205.13988	1.1
215.14265	1.9
219.13748	5.8
233.15361	2.9
243.17358	0.7
247.16913	1.9
261.18433	1.7
275.20038	1.3
289.21533	2.4
303.23145	1.7
303.60495	0.7
317.24582	1.6
321.64896	0.7
360.44260	0.9
373.30896	1.2
390.16608	0.8
401.34103	2.6
411.35983	1.6
429.37213	33.4
430.37753	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	429.3724
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05499	3.7
57.07073	19.2
67.05492	4.5
69.03414	0.9
69.07062	5.1
71.08623	13.7
79.05478	1.2
79.66537	0.7
81.07044	7.7
83.08599	2.8
85.10172	5.4
91.05453	1.7
93.07019	2.7
95.08607	7.5
97.10138	1.9
98.20727	1.7
98.50102	0.8
99.75746	0.8
105.07023	1.8
107.08586	4.5
109.10144	6.8
111.04457	0.7
119.08553	3.8
121.06537	1.5
121.10154	4.5
122.03848	0.8
123.11711	0.8
125.05976	0.8
131.08569	1.8
133.10048	1.0
135.08031	5.3
135.11674	2.7
136.08771	1.6
137.09613	12.0
139.07527	2.2
145.10114	3.2
149.09599	17.6
151.07532	1.1
159.08008	1.3
159.11676	2.7
161.09576	0.9
163.07619	0.8
163.11165	18.2
164.08345	5.2
165.09099	100.0
166.09492	1.0
172.08868	1.0
173.09608	2.7
173.13240	2.1
175.11174	5.4
176.08275	2.1
177.09094	13.5
177.12704	3.3
179.10695	1.1
186.10390	1.4
187.11176	4.2
187.14751	0.9
189.09019	0.8
189.12727	1.7
190.09895	2.1
191.10640	11.4
201.12703	3.5
203.10672	1.4
205.12178	10.7
215.14314	0.9
219.13785	2.7
247.17038	0.9
327.76727	0.8
359.02725	1.3
379.10721	0.8
401.34000	0.8
429.37375	5.5
430.37952	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3722
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05488	0.8
57.07066	5.3
67.05489	2.0
69.07053	3.6
71.03120	2.0
71.08612	4.0
75.70488	0.8
81.07047	5.1
95.08576	3.1
97.10153	1.3
98.50745	0.9
107.08563	0.9
109.10135	4.2
111.11662	1.2
119.08561	2.6
125.05949	1.5
125.53904	0.9
131.08562	0.9
135.08049	1.3
137.09586	10.0
145.10078	1.6
149.09602	7.1
149.13243	1.3
151.07530	1.4
159.11621	2.1
163.11125	1.5
165.09094	100.0
166.09445	1.8
173.09641	1.3
175.11189	1.2
177.09106	3.5
179.10648	1.8
187.11171	2.2
190.09921	1.9
191.10626	3.3
205.10417	1.9
205.12230	21.0
208.37029	1.0
273.75879	1.0
318.60797	1.0
358.46518	1.0
429.31985	1.1
429.37292	11.1
430.38150	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.8
55.01867	10.2
57.03426	7.0
60.04529	1.0
61.02913	8.2
68.99777	4.2
69.03423	35.9
69.07063	1.1
69.47137	7.2
70.03747	1.0
71.04987	6.1
73.02911	10.5
80.05006	1.1
81.03410	38.6
81.07059	1.4
83.04966	1.6
85.02896	100.0
87.00820	36.6
87.04472	1.4
91.03934	3.1
91.05466	1.1
97.02883	40.9
97.03520	2.0
99.04446	16.1
101.02385	0.8
103.03899	1.7
104.19800	0.8
105.01854	32.5
105.07021	3.8
107.04966	0.9
108.04470	8.7
108.33897	0.9
109.02868	37.4
115.03941	1.4
117.01852	7.2
117.07030	1.1
118.98865	0.9
123.04347	0.9
126.05463	5.1
127.03903	75.7
128.04240	1.4
129.01807	5.9
133.06468	5.0
137.05968	17.3
144.06509	1.1
145.04944	37.6
145.06233	1.4
145.06459	1.7
147.02881	3.7
149.05954	1.0
151.03857	1.1
151.07521	1.0
159.02872	30.7
163.07672	1.1
165.09096	13.9
167.07100	1.3
175.07628	1.6
177.03951	1.9
177.09123	3.4
189.03899	2.9
189.09108	7.1
191.07034	1.5
195.08125	1.1
199.07570	0.9
199.47604	0.8
201.09233	1.0
207.10170	2.8
213.03937	3.9
213.09172	1.2
217.08575	1.1
219.10269	1.0
230.06599	3.9
231.04979	14.2
231.10143	2.1
233.11708	4.2
248.07497	4.4
255.10316	1.9
273.11142	3.7
291.12323	1.7
359.10992	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.9
55.01865	10.1
55.05506	1.6
57.03426	7.8
60.04512	1.5
61.02930	5.7
61.85028	0.8
67.05496	1.3
68.52529	1.1
68.99770	4.2
69.03422	35.1
69.36348	8.8
71.04986	6.9
73.02918	10.7
78.42315	1.0
81.03411	37.1
81.07040	1.8
82.03697	1.4
83.01353	1.2
85.02895	100.0
86.03240	1.6
87.00821	35.9
87.04443	1.0
91.03935	2.7
91.05433	1.4
93.07004	1.1
95.04993	1.3
95.08600	1.7
97.02884	45.8
99.04445	19.6
103.03891	1.4
105.01854	31.2
105.07024	2.0
107.04902	1.0
107.08540	1.3
108.04455	10.4
109.02866	37.7
111.04425	1.3
117.01833	4.7
126.05544	6.0
127.03901	80.3
129.01805	5.3
136.07541	2.4
137.05966	3.8
137.71696	1.1
138.06290	1.2
142.47118	1.1
145.04939	45.0
147.02834	2.6
159.02875	27.3
164.07028	1.6
165.09077	2.6
167.07033	1.5
177.04001	1.3
187.07556	1.2
189.03963	1.4
189.09108	6.9
207.10193	1.5
213.03871	3.7
230.06538	3.8
231.04985	18.1
231.10095	3.3
233.14717	1.3
248.07585	3.9
255.10083	2.5
273.11148	2.0
306.20764	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75362	2.0
53.03927	2.2
55.01865	10.9
56.95951	2.2
57.03429	17.9
57.07074	15.7
59.04975	2.6
61.02921	17.1
63.04487	19.1
67.05495	3.9
69.03425	43.6
69.03802	1.7
69.71246	7.6
69.71662	7.1
70.06583	2.8
71.01340	4.6
71.04980	6.0
72.12374	2.0
73.02909	85.2
79.05491	3.2
81.03426	5.9
81.07043	2.9
83.04980	4.1
85.02900	90.7
86.78067	2.2
87.04471	8.2
91.03942	4.3
91.05484	5.7
95.04966	9.2
96.04485	3.1
97.02880	65.9
98.20849	4.7
99.04442	7.1
103.03915	3.3
105.07018	5.0
107.08618	4.8
108.08115	3.0
109.02869	9.1
110.06012	3.1
114.05525	6.3
115.03921	36.6
119.08607	4.9
119.10683	100.0
121.10131	5.5
123.04438	2.5
123.08015	3.0
127.03907	30.0
131.08620	3.6
133.04958	42.6
135.08080	2.6
137.05959	3.3
139.03946	2.3
145.04958	38.4
147.11601	2.2
163.06003	12.6
177.05515	3.4
186.54778	2.2
204.08713	4.6
223.06061	5.7
232.17023	4.7
241.07054	10.0
250.18036	7.9
251.14920	2.8
259.08051	6.8
268.19086	9.0
281.16086	2.7
430.24268	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	430.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.9
55.05502	4.6
57.03422	13.9
57.07065	14.6
58.06607	9.1
61.02907	11.7
63.04472	19.1
67.05483	5.7
69.03422	32.6
69.07088	3.5
70.06575	9.6
71.01344	4.2
71.52731	6.7
73.02912	39.2
79.05483	5.0
81.03410	8.7
81.07033	4.1
82.06561	5.0
85.02896	69.2
86.06049	8.4
86.09682	5.0
87.04445	5.7
91.05472	7.5
93.07011	8.9
95.04964	11.9
95.08604	8.0
95.74500	3.9
97.02882	39.4
99.04459	11.1
105.07029	16.7
107.08519	6.9
108.08095	6.1
109.02841	6.2
109.06566	5.6
109.10140	6.4
110.06035	17.1
111.08058	5.0
112.07619	4.4
114.05535	7.0
115.03929	19.9
119.08566	16.5
119.10685	100.0
121.10136	20.7
122.09695	6.0
123.04423	5.1
123.08051	9.5
124.27065	4.1
127.03872	21.0
131.08583	4.5
133.04910	22.3
133.10126	11.7
134.09592	6.1
135.08025	3.9
137.05995	7.4
145.04964	20.2
145.10141	10.4
147.11661	7.5
148.11218	5.3
149.09578	8.7
152.10742	4.5
163.03912	9.1
163.06039	8.6
167.06982	4.0
173.13234	7.9
174.12654	6.4
175.11159	4.6
187.14792	4.7
189.12778	6.8
190.15945	7.0
191.14348	5.7
204.08684	6.2
207.13855	10.1
208.16982	8.6
214.15904	4.4
215.14337	4.8
232.16959	13.1
233.15315	6.6
234.18628	5.9
241.07100	5.5
250.17986	69.9
251.16418	4.7
259.08151	7.9
263.72070	3.8
268.19073	14.8
319.05460	4.2
412.23340	6.0
430.24341	18.4
431.18896	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	431.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.2
57.03429	4.8
57.07067	1.2
65.67384	0.7
67.05499	11.7
69.07054	3.3
69.77370	4.3
71.08645	1.2
79.05488	5.1
81.03400	2.6
81.07039	13.7
83.08620	2.4
91.05470	4.2
93.07052	5.5
95.04966	1.7
95.08596	12.4
97.06500	1.3
97.10146	1.8
98.20678	0.9
98.98473	1.3
99.08101	1.1
105.07013	2.6
107.08582	3.5
109.10144	5.1
113.00007	100.0
119.08569	2.9
121.10148	3.9
123.11711	3.0
133.10143	2.1
135.11697	1.8
147.11679	2.1
149.13242	1.7
151.07547	1.0
151.14798	1.2
154.02657	0.9
161.13245	1.9
169.02596	97.4
170.02928	1.0
245.22607	4.0
253.11606	0.9
263.23746	6.5
272.60843	0.9
284.59311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81963	1.8
53.03922	7.7
55.01847	6.4
55.05505	42.6
55.82247	1.8
57.03429	4.7
57.07055	8.9
57.50896	1.8
65.03915	5.0
67.05495	35.4
67.20992	2.3
69.03425	23.2
69.07060	83.5
71.01326	2.2
71.04957	7.0
71.52622	2.6
79.05481	24.8
81.03410	38.9
81.07044	77.1
83.04961	10.4
83.08613	13.8
83.69093	2.1
85.02871	6.3
85.06506	5.2
91.05466	30.0
93.06481	3.4
93.07029	50.9
95.01310	2.1
95.04963	22.5
95.08595	66.6
97.02872	10.7
97.06516	14.7
97.10155	36.5
99.04406	6.7
99.08077	4.5
103.05419	5.6
105.07014	41.8
107.04954	10.4
107.08581	46.5
109.02870	67.4
109.06503	12.9
109.10143	32.6
111.04428	18.1
111.08051	6.6
111.11697	21.5
115.05422	3.1
116.06186	2.3
117.06995	11.3
119.07794	3.6
119.08565	37.9
121.06528	11.2
121.10131	44.4
123.04448	12.2
123.08026	7.1
123.11684	22.9
125.05945	7.4
125.09610	9.3
127.03900	10.2
128.06194	4.9
129.07004	11.2
131.04924	3.2
131.08542	25.3
133.06429	9.2
133.10115	28.5
135.08014	8.4
135.11656	21.2
136.07510	3.1
137.05980	15.5
137.09566	5.6
137.13228	7.2
139.03842	4.7
139.11157	24.7
141.06876	3.8
142.07741	5.5
143.08557	16.3
143.10640	5.2
144.05817	2.2
144.09227	2.6
145.06462	8.5
145.10101	29.2
147.08069	10.7
147.11662	23.1
149.05945	4.9
149.09587	7.5
149.13249	16.1
151.07481	5.5
151.11111	5.3
151.14717	2.8
153.05408	3.3
153.12660	5.3
155.08495	6.1
156.09305	3.4
157.10121	21.8
157.12204	10.9
159.08054	10.9
159.11653	23.5
161.05907	4.9
161.09576	8.8
161.13208	16.1
163.07495	5.4
163.11147	7.1
163.14764	6.8
165.09073	4.5
165.12753	3.6
167.07100	3.4
167.08522	2.8
169.10100	9.0
171.08008	5.3
171.11696	11.7
172.12360	2.2
173.09584	13.7
173.13242	15.9
175.07495	3.9
175.11115	9.6
175.14801	5.7
177.09087	5.0
177.12682	5.7
177.16386	3.1
179.14348	3.8
181.04929	7.1
181.08598	2.6
183.11623	6.0
185.09593	6.3
185.13232	11.1
187.07608	3.1
187.11133	6.5
187.14769	7.7
189.09021	5.6
189.12733	6.9
189.16336	4.3
191.10667	10.6
191.14314	3.1
193.12146	2.5
195.11687	4.1
197.09590	2.1
197.13228	6.6
199.11086	5.5
199.14760	5.3
201.12712	5.1
201.16399	3.7
203.10600	4.2
203.14192	5.2
203.17972	3.1
205.08612	2.4
205.12199	2.8
207.13710	2.5
209.13316	4.4
211.11211	3.8
211.14798	7.1
213.12721	18.0
213.16219	2.7
215.14182	5.3
217.12256	1.9
217.15839	2.5
225.12621	3.0
225.16220	3.8
227.14249	4.8
229.12183	4.1
229.15842	3.4
231.13753	11.4
231.17125	2.3
233.15251	2.0
235.16957	2.4
241.15820	3.5
243.13759	2.8
245.15259	3.4
253.15674	2.5
255.13701	4.5
257.15240	3.4
257.18881	2.9
285.22009	2.7
287.16473	2.1
303.23108	3.8
305.24869	4.3
329.24603	2.4
341.24628	2.3
353.24887	2.2
367.26230	10.0
371.25681	3.2
377.24744	2.4
383.25824	3.7
385.27307	12.0
395.25677	15.4
403.28098	2.4
413.26532	32.8
414.26825	2.6
431.27771	100.0
432.28043	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	431.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.05500	7.7
57.07062	3.8
67.05493	6.5
69.03429	1.5
69.07060	12.1
71.04977	1.0
71.08617	2.7
71.52969	1.6
79.05489	2.0
81.07044	8.8
83.01334	0.8
83.04966	1.4
83.08604	7.6
85.02912	1.0
85.10165	1.4
87.03417	1.0
91.05470	1.9
93.07031	3.3
95.08599	13.2
96.35492	0.9
97.10137	5.1
105.07019	3.2
106.46244	1.0
107.08597	1.9
109.10117	4.3
111.04439	3.9
111.11716	2.7
117.07005	1.4
117.22670	0.8
119.08575	1.7
121.06496	1.4
123.08059	10.0
123.11671	2.5
131.08572	4.1
135.08044	6.9
137.05992	1.7
139.07561	1.8
145.10147	2.6
149.09593	6.3
151.07527	100.0
152.07878	1.5
159.08061	4.1
159.11687	1.6
161.09575	1.3
162.06779	2.7
163.07573	2.1
163.11134	2.0
165.09079	4.4
167.07036	10.0
173.09599	2.6
175.07515	2.4
175.11116	1.9
176.08311	3.7
177.09094	38.9
178.09471	1.4
179.10663	0.9
187.11232	1.1
189.09076	9.0
190.09821	3.0
191.10655	39.3
202.09805	1.0
203.10680	3.8
205.12216	26.3
217.12216	3.4
219.13805	3.8
219.89069	0.9
231.13899	1.3
403.32169	0.9
413.34109	3.4
431.30481	2.6
431.35956	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	431.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07053	17.2
85.79594	16.4
95.08583	23.8
121.53889	22.4
151.07513	100.0
167.06987	27.1
169.64099	16.8
173.56302	17.1
177.08994	38.7
191.10675	58.0
205.12193	37.5
205.77765	22.1
207.94908	18.8
315.77121	22.1
355.69708	18.5
431.18356	59.1
431.23148	29.6
431.35251	24.7
432.19061	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
64.59354	1.2
69.27660	1.2
70.06956	3.8
78.01038	1.3
79.05495	2.3
80.06268	1.4
81.07031	1.3
85.73258	1.1
91.05458	5.5
93.07019	1.6
95.04916	1.9
95.08591	2.4
95.72373	1.1
98.61732	1.2
105.03387	1.3
105.07023	2.7
107.04922	5.4
109.06541	1.2
115.05387	1.3
117.07009	4.7
119.04912	3.1
119.08565	2.0
121.06532	8.1
128.06134	1.4
129.06924	1.5
131.04919	2.5
133.06461	2.9
136.05168	3.0
137.05960	1.5
138.06714	3.8
143.75058	1.2
145.06474	4.0
146.07251	13.9
147.08031	7.5
148.08769	1.7
149.05991	1.7
151.07526	100.0
152.07858	2.6
159.08026	3.0
160.08821	20.1
161.05984	2.8
161.09518	1.9
164.08269	5.9
165.06927	1.3
165.09058	2.5
176.08308	4.0
177.09093	42.9
177.10646	2.0
179.10648	45.1
186.10355	4.3
187.07547	2.8
188.08266	2.8
189.09081	1.7
191.10657	57.1
202.09875	5.0
203.10585	2.2
217.12215	29.6
218.12453	1.3
223.55127	1.3
225.09125	1.8
237.11142	5.2
242.09247	1.6
285.11279	9.7
297.27615	1.3
300.13495	22.1
355.18808	2.0
408.19525	1.4
432.35583	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	432.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.6
55.01866	3.1
55.05498	4.3
56.05037	19.1
57.03433	4.6
57.38318	3.0
58.06601	14.7
61.02916	6.0
67.05494	7.7
69.03426	19.9
69.07062	15.5
69.61246	7.2
69.61651	18.9
70.06560	7.0
70.38008	3.4
71.05009	7.7
72.08138	4.0
73.02912	4.1
74.06062	4.8
75.61122	3.0
79.05488	6.3
81.03383	10.4
81.07040	12.2
82.06561	4.9
83.04964	5.0
83.08582	3.3
84.08133	4.0
85.02902	29.1
85.07639	3.3
86.06046	5.7
87.04465	3.0
91.05461	16.5
93.07029	16.5
94.06554	5.4
95.04970	4.4
95.08591	18.9
96.08086	5.5
97.02869	11.9
97.06508	4.1
98.09663	3.1
98.20747	5.2
99.04436	12.8
101.14425	2.9
103.05480	3.4
105.07020	21.5
107.04882	3.5
107.08574	23.4
108.08110	10.5
109.02887	5.7
109.06503	7.2
109.10140	11.4
110.06055	4.1
110.09694	16.3
111.08014	4.9
112.07557	4.9
114.05535	3.6
117.06985	4.9
119.08569	27.8
121.02858	5.8
121.10114	19.4
123.04379	8.1
123.08047	4.1
124.11195	5.3
126.05492	5.5
127.03869	8.5
129.06987	3.3
131.08580	9.0
133.10104	37.7
134.09645	5.8
135.08000	5.6
135.11693	13.6
136.11145	5.5
137.05930	4.6
137.09596	7.6
138.09146	4.0
139.03883	6.4
139.08554	2.9
142.08670	3.9
145.10120	9.1
147.04320	3.7
147.08076	3.4
147.11659	8.1
149.13222	4.7
153.09073	5.2
155.61720	2.7
157.04919	4.9
157.10100	3.3
158.10901	4.0
159.11671	12.5
160.11220	3.1
161.13231	4.8
163.03879	3.6
163.14771	3.7
173.13260	10.1
175.14783	11.5
178.12234	4.6
186.07565	4.5
187.06058	3.4
189.09096	3.7
190.15834	3.3
191.14250	7.3
204.08662	27.0
216.17461	8.5
219.06546	3.3
234.18517	30.7
235.09593	3.2
235.16864	8.6
236.20039	4.4
244.04282	4.6
245.02545	8.8
252.19556	65.9
253.17769	3.3
262.05383	4.3
270.20596	60.8
280.11652	3.0
394.69839	3.0
396.23889	4.5
414.24841	100.0
432.10999	10.2
432.16547	4.7
432.20206	4.4
432.25955	76.4
433.10507	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	432.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80642	3.2
53.03934	3.9
55.01875	4.3
55.05489	8.8
56.05033	21.0
57.03428	8.0
57.07057	5.6
57.97839	3.3
58.06586	16.9
61.02925	6.0
67.05488	11.7
68.05019	3.4
69.03421	25.4
69.03745	5.1
69.07047	12.2
70.06567	10.3
71.04974	10.8
71.52761	5.9
72.08147	8.1
73.02892	4.0
74.06045	6.4
79.05492	8.3
79.92692	3.3
81.03393	13.8
81.07027	15.2
82.06561	5.2
83.08580	4.4
84.08116	4.7
85.02896	40.8
86.06062	6.4
87.04447	6.3
91.05447	12.9
93.07041	31.5
95.04954	10.8
95.08604	30.9
96.08108	7.4
97.02888	18.9
97.06534	7.8
98.06047	6.0
98.09681	4.4
99.04428	18.5
105.06998	21.6
107.04909	8.2
107.08578	25.4
108.08081	10.6
109.02882	5.9
109.06494	13.5
109.10138	14.4
110.06003	3.8
110.09693	16.1
111.04411	7.2
115.05431	4.6
117.06981	9.7
119.08569	38.2
120.08071	5.8
121.02821	6.9
121.10133	31.9
122.09640	9.6
123.04401	9.3
123.08043	9.9
123.11701	5.1
124.11139	4.5
126.05494	6.4
127.03909	16.3
127.73429	3.4
131.08549	19.0
133.06410	3.9
133.10138	46.2
135.08017	4.7
135.11690	18.4
136.11179	6.7
137.02306	5.3
137.05946	9.6
137.09554	9.0
139.03886	14.0
145.04961	6.3
145.10072	9.1
147.04356	7.9
147.11684	10.1
149.09636	6.2
153.09023	5.4
157.04965	5.4
157.09964	4.2
158.08127	7.1
159.11671	11.8
160.11086	8.2
161.05949	5.3
161.13260	5.6
163.03831	4.6
163.07484	10.3
167.07074	3.9
169.09625	6.6
173.13228	15.3
175.03841	3.7
175.07552	10.3
175.14740	17.5
176.14346	4.0
177.05350	5.3
178.12289	8.5
186.07645	7.2
186.12682	4.4
189.12708	4.9
190.15872	5.0
191.06995	7.0
191.14311	6.3
193.15881	7.3
203.03369	9.6
204.08672	30.1
207.13686	4.9
212.45140	3.7
216.17442	11.6
217.15852	6.9
218.18877	3.2
224.07156	3.1
234.18501	64.6
235.04230	6.6
235.09621	25.5
235.16901	12.2
236.20032	7.8
245.02686	14.2
252.19577	74.0
253.10684	12.8
262.05307	10.1
270.20609	74.7
271.06030	11.4
280.11786	17.1
283.06036	4.9
296.32349	3.9
328.75430	3.4
396.23737	8.5
414.24832	100.0
415.25281	4.4
432.11380	18.4
432.16711	12.9
432.25858	94.7
432.37845	3.5
433.10660	5.6
433.16602	10.3
442.99655	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	433.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46373	0.1
59.18061	0.1
67.01855	0.5
68.99813	0.3
69.03416	0.2
69.07052	0.2
69.54404	0.6
79.05492	0.1
81.03402	0.2
81.07052	0.4
85.02887	0.3
91.05468	0.4
93.07056	0.2
95.08591	0.2
97.02879	0.2
97.06516	0.1
99.04435	0.1
105.07004	0.2
107.04939	0.2
107.08585	0.1
109.02869	0.2
109.06523	0.1
109.10132	0.2
119.04931	2.2
119.08584	0.1
121.02854	0.6
121.10098	0.1
123.04374	0.1
127.03916	0.2
129.01828	0.1
131.04886	0.2
133.10074	0.1
135.04391	0.1
135.11723	0.1
137.05960	1.0
140.23848	0.1
140.68169	0.1
145.02831	0.7
146.03636	0.1
153.01817	4.7
161.05954	0.6
163.03911	0.5
164.07043	0.1
167.07039	0.2
169.12247	0.1
171.02855	0.6
173.05952	0.1
175.11235	0.1
181.04956	0.2
187.03996	0.2
201.05507	0.1
203.06989	0.2
205.92491	0.1
211.13100	0.1
213.05511	0.1
217.12245	0.1
225.05441	0.2
229.04900	0.2
234.06792	0.2
235.13263	0.2
235.16962	0.1
243.06433	0.3
249.09070	0.1
253.14389	0.2
271.05981	100.0
272.06329	3.5
277.08603	0.5
287.05444	0.3
326.62866	0.1
401.13693	0.3
433.10547	0.3
433.16202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1126
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
50.91867	0.4
55.05493	0.6
57.03441	4.3
57.34236	0.5
66.74689	0.5
67.05505	0.5
68.99783	0.7
69.03414	0.9
69.87691	2.8
71.04987	26.7
73.02898	0.5
75.04484	0.7
76.02828	0.5
79.05478	0.7
81.07056	0.4
81.43188	0.4
83.04971	0.7
83.79058	0.5
85.02898	24.7
86.39532	0.5
87.04471	0.7
93.07026	0.7
111.00820	0.8
111.04421	0.7
119.08571	0.6
121.02856	3.0
129.05461	5.8
133.02863	0.7
137.02332	0.9
143.03381	0.5
147.04434	0.7
147.06525	0.6
153.01822	4.1
164.07083	0.5
165.01849	1.6
183.02856	0.9
185.06042	0.6
185.17995	0.4
213.05431	1.7
231.06453	0.6
241.04945	0.6
248.16258	0.6
249.57660	0.5
258.05197	0.5
259.06073	0.6
271.06079	1.8
283.06082	0.9
287.05478	100.0
288.05789	3.3
299.05606	1.0
308.63931	0.5
313.06979	0.9
329.06644	1.9
353.06638	0.6
397.09079	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1126
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
55.01870	0.1
55.05471	0.1
67.01850	0.5
68.99780	0.3
69.03414	0.2
70.30548	0.1
71.19294	0.2
71.19622	0.1
79.05476	0.1
85.02915	0.2
91.05460	0.4
93.07032	0.2
95.04895	0.2
105.06976	0.2
109.02864	0.1
119.04934	1.8
119.08614	0.2
121.02876	0.6
127.03934	0.2
136.67697	0.2
136.82651	0.1
137.05986	0.4
145.02840	0.5
153.01811	4.4
153.53955	0.1
161.05891	0.2
163.03911	0.5
171.02859	0.4
225.05397	0.4
229.04950	0.3
235.13414	0.2
243.06497	0.4
271.05978	100.0
272.06320	4.2
277.08762	0.2
287.05518	0.2
290.95197	0.1
306.01382	0.1
433.10529	0.2
453.91003	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1124
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
56.34943	0.7
57.03417	3.4
62.30470	0.6
68.44965	0.6
68.99767	1.2
69.03408	1.0
69.39979	4.5
69.40403	1.7
71.04987	26.2
73.02921	0.8
85.02893	23.8
107.04985	0.9
111.00816	0.7
121.02830	3.6
129.05475	4.8
145.02837	1.0
147.06532	1.0
153.01788	4.0
165.01871	1.2
177.05472	2.4
183.02847	1.2
213.05470	0.9
215.33696	0.7
235.13327	0.8
241.04980	1.1
258.05234	1.2
287.05469	100.0
288.05768	3.0
299.05597	0.8
329.06464	2.6
353.06357	1.0
377.07953	0.7
379.07834	0.9
387.03104	0.8
392.27402	0.8
396.84195	0.7
397.09033	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.9
54.20185	0.7
55.05505	1.8
57.03432	10.8
61.02909	1.2
67.05501	1.3
69.03429	2.2
69.07065	1.3
71.04988	12.2
73.02908	4.9
75.04475	17.2
79.05495	1.7
81.03400	1.3
81.07051	2.3
83.04984	3.0
85.02899	50.9
87.04460	1.6
91.05468	1.7
93.07042	2.5
95.04942	1.4
95.08598	1.7
97.02885	1.3
98.56166	1.0
105.06999	1.7
107.04968	1.9
107.08602	1.8
109.02842	1.3
109.10143	1.3
111.04446	1.5
119.08569	1.5
119.09601	1.0
121.02897	2.0
121.06490	2.0
121.10116	1.2
123.08081	0.8
123.73131	1.0
127.03876	1.6
129.05467	5.9
131.04994	1.0
136.07568	1.0
137.06000	1.2
145.06516	1.3
147.04340	1.2
147.06502	2.6
147.11626	1.3
153.01817	5.2
153.05434	1.8
161.05998	1.4
165.01872	1.4
167.07001	2.1
173.13454	0.9
175.11110	1.1
175.14899	1.4
177.05473	1.6
181.04930	2.7
194.32483	0.9
207.06554	1.4
207.09158	1.5
211.08612	2.1
221.95787	0.9
231.06522	1.3
235.08595	1.8
235.13281	1.4
238.36621	0.9
253.09697	8.0
258.05328	1.2
271.06033	2.7
271.10815	5.4
287.05478	100.0
288.05777	4.0
315.91544	1.0
433.16034	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	0.4
63.44159	0.4
72.35726	0.4
85.02890	0.8
92.43629	0.4
92.99361	0.5
96.77934	0.4
107.04951	2.0
121.43900	0.4
123.04472	0.6
127.03886	0.6
147.04414	0.7
161.03024	0.5
167.07039	0.6
227.34900	0.4
259.07861	1.2
271.11432	2.0
289.11261	1.4
343.09970	0.5
401.14182	1.6
433.16791	100.0
434.17163	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	433.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.3
52.30623	1.3
53.03938	8.4
55.01868	15.8
55.05506	47.2
56.37860	1.4
57.03424	8.8
57.07065	6.5
59.04997	2.0
63.03000	1.4
65.03931	6.3
67.05501	56.9
69.03426	34.2
69.07065	33.6
71.01340	2.0
71.04987	6.2
73.06522	1.5
79.05486	67.3
81.03412	23.7
81.07050	85.2
83.04987	13.4
83.08611	23.7
84.21957	1.4
85.02892	4.7
85.06536	8.7
91.05473	60.9
91.80322	1.5
93.07036	61.7
95.04961	42.1
95.08599	61.1
97.02881	7.9
97.06536	14.9
97.10161	31.7
98.21527	2.7
99.04468	5.6
99.08086	4.2
103.03904	1.7
103.05482	4.5
105.03363	2.9
105.07022	58.2
107.04945	24.8
107.08584	52.4
109.02875	11.6
109.06501	11.5
109.10147	33.5
111.04411	10.0
111.08080	10.4
111.11727	3.3
113.06054	1.9
115.05462	6.9
117.07004	24.2
119.04937	5.2
119.08570	35.4
121.06509	19.8
121.10123	35.6
121.10928	2.6
123.04398	5.7
123.08059	12.4
123.11704	15.8
125.02513	1.5
125.06015	3.0
125.09625	23.1
127.03887	7.6
128.06198	8.8
129.05484	4.4
129.06989	25.8
130.07706	2.4
131.04889	13.3
131.08551	40.4
133.06491	12.8
133.10106	24.4
135.04405	2.8
135.08067	15.7
135.11681	14.8
137.05978	10.1
137.09665	4.9
137.13264	5.5
139.07552	1.6
139.11183	4.3
141.06999	11.2
142.07806	2.9
143.04866	1.7
143.08551	20.2
143.10635	2.4
144.09331	2.0
145.06453	21.2
145.10104	26.9
147.08031	16.0
147.11685	15.7
149.05986	4.2
149.09610	23.9
149.13237	14.0
150.09927	2.2
151.03917	1.5
151.07494	2.6
151.11198	6.3
153.05484	1.7
153.07001	4.0
153.09143	4.5
154.07762	2.6
155.08525	10.7
156.09317	2.6
157.06494	4.2
157.10149	12.9
159.08054	11.2
159.11676	25.8
161.05923	4.1
161.09589	9.3
161.13226	13.3
163.07541	2.3
163.11205	8.7
163.14812	5.7
165.05542	1.8
165.06955	3.2
165.09125	6.3
165.12735	3.5
167.07028	5.9
167.08548	6.2
168.09300	2.5
169.06439	1.6
169.10104	16.1
171.07996	5.5
171.10239	2.0
171.11646	24.2
173.09610	13.0
173.13228	10.0
175.07594	1.8
175.11127	7.8
175.14867	7.0
177.09132	3.0
177.12787	5.5
177.16389	2.4
178.07803	2.1
179.07024	1.5
179.08519	2.3
179.10600	3.3
180.09294	1.9
181.04942	15.3
181.06384	2.3
181.10153	4.3
183.06543	2.0
183.08057	4.2
183.11670	9.8
183.77553	1.6
185.09625	5.1
185.13248	9.7
187.11147	10.0
187.14816	6.7
189.05376	1.4
189.09116	7.2
189.11191	14.2
189.12773	15.3
189.16391	4.0
190.13051	1.8
190.16750	1.9
191.10690	4.9
191.14366	3.2
193.08493	2.2
193.10161	2.0
193.12228	2.1
195.10143	2.1
195.11740	5.6
197.09572	3.9
197.13239	6.2
199.11194	6.4
199.14839	4.6
201.12759	4.0
201.16405	4.1
203.10661	2.3
203.14352	2.6
205.12250	7.8
207.06613	3.1
207.11798	1.9
207.13892	1.5
209.13342	3.4
211.11165	7.3
211.14728	4.1
213.12700	6.7
213.16345	5.1
215.10674	4.5
215.14342	5.6
215.17932	1.6
216.11032	1.8
217.15923	2.2
221.08154	2.3
221.13348	2.2
223.13312	5.2
225.12837	4.8
227.10727	2.0
227.12784	6.2
229.12263	5.8
229.15875	3.0
231.13785	5.3
231.17332	1.6
233.15419	2.2
239.14384	3.5
243.13728	3.5
245.15424	2.5
247.13197	1.6
249.14780	3.3
257.15363	4.7
261.14734	3.1
267.15836	4.0
273.14810	4.1
287.23734	1.9
295.20551	3.6
305.19281	1.8
313.21625	8.2
323.20062	26.1
329.24747	1.7
341.21078	100.0
342.21268	4.7
347.25827	2.7
349.20148	2.1
359.22125	10.6
369.27997	2.6
373.27435	4.8
377.23441	2.6
387.28879	4.7
397.23257	1.7
397.27301	10.9
403.13724	3.7
415.23923	27.7
415.28717	10.6
416.24481	1.8
433.16217	2.8
433.25775	49.5
433.30008	26.9
434.13351	2.0
434.25946	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	433.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.0
55.01868	9.8
55.05505	40.0
57.03418	6.2
57.07055	8.3
58.72762	1.5
59.05004	2.3
65.03932	3.6
67.05497	41.3
69.03423	61.7
69.07059	52.1
71.01335	2.7
71.04987	8.3
71.08624	2.9
71.52388	1.5
71.52766	2.5
73.06536	1.5
78.33239	1.5
79.05482	35.3
81.03411	36.2
81.07046	94.0
83.01308	1.5
83.04975	14.0
83.08600	17.7
84.04507	3.5
85.02893	11.8
85.06538	12.6
91.05463	33.0
93.07030	59.2
94.07359	2.2
95.04958	18.1
95.08596	96.1
97.02866	11.4
97.06510	24.1
97.10154	19.4
97.66102	1.4
99.04447	11.8
99.08064	5.7
101.06026	1.7
103.03869	2.1
103.05424	2.9
105.07014	50.1
105.07687	3.3
106.68451	1.6
107.04929	8.1
107.08580	63.8
108.08855	2.3
109.02863	15.5
109.06495	17.2
109.10142	47.7
111.04414	19.1
111.08077	17.5
111.11700	5.8
113.05986	2.0
113.09652	1.6
115.03887	2.5
115.05441	2.1
117.07001	14.6
119.04919	2.0
119.08568	48.8
121.06500	11.1
121.10133	39.7
121.10770	1.0
122.03611	1.5
123.04438	6.5
123.08064	8.8
123.11699	25.2
124.83588	1.5
125.06012	5.3
125.09614	9.7
127.03883	14.3
128.06143	2.4
129.05476	4.4
129.06996	7.8
131.04900	3.4
131.08543	21.8
133.06485	6.3
133.10114	34.0
135.08047	9.5
135.11678	24.5
136.07536	2.1
137.05952	20.7
137.09605	9.2
137.13234	8.9
139.07516	4.1
139.11186	9.5
141.07004	1.7
141.09117	1.9
142.07761	3.7
143.08536	14.3
145.06470	4.4
145.10107	28.3
147.04448	3.7
147.08012	9.1
147.11676	32.0
149.05966	5.6
149.09567	12.4
149.13239	24.7
151.07533	5.7
151.11203	7.4
151.14775	3.9
153.05392	2.0
153.09064	2.3
153.12753	3.2
155.07056	1.8
155.08545	5.1
157.06438	2.6
157.10112	14.1
159.08047	7.0
159.11674	25.0
161.05972	4.4
161.09599	9.2
161.13242	23.3
163.03934	2.0
163.07541	5.3
163.11156	9.3
163.14827	12.5
164.06998	2.3
165.09079	11.1
165.12727	4.2
165.16432	1.6
167.07034	7.7
167.08348	1.9
169.10075	2.4
171.08012	3.1
171.11655	12.3
173.09648	9.9
173.13229	21.1
175.07578	2.8
175.11172	7.6
175.14847	15.3
177.05478	2.2
177.09100	4.9
177.12750	4.6
177.16270	4.2
179.10608	4.2
179.14275	3.8
181.04942	13.2
181.08635	3.5
181.10091	3.3
183.06540	2.7
183.11668	5.5
185.09625	4.3
185.13274	9.0
187.11148	5.6
187.14775	9.1
189.09088	5.5
189.12752	4.5
189.16350	7.0
191.10661	6.2
191.14333	5.8
191.18015	3.3
193.08514	2.0
195.10181	3.1
195.11748	2.4
197.13200	7.5
199.11147	2.3
199.14813	7.1
201.12744	3.2
201.16385	6.5
203.10698	4.9
203.14355	4.1
203.17970	3.2
205.12221	2.9
205.15872	2.2
205.19501	1.8
207.06544	1.8
207.10057	3.7
209.08022	2.7
211.14833	3.4
213.12706	6.7
213.16356	4.3
215.14276	7.2
215.17900	4.1
217.12317	2.2
217.15930	2.0
219.13866	2.1
221.08066	2.4
223.14893	1.8
225.16403	4.0
227.14384	2.3
227.17921	4.0
229.15842	3.8
229.19571	1.5
231.13751	3.0
231.17426	3.9
233.15437	4.0
233.18874	1.7
239.14203	1.8
241.15927	3.1
245.15677	2.4
245.19092	2.2
247.16940	3.1
257.15289	2.9
257.18997	2.0
259.16904	3.5
271.05951	2.3
277.18091	2.7
287.23682	2.9
289.25308	2.7
299.23843	3.7
301.25198	3.7
305.24933	2.7
313.25272	4.3
317.24796	4.2
329.24850	2.9
331.26312	2.7
343.26761	2.4
345.27972	2.8
347.25778	4.9
351.26599	2.4
355.26190	1.9
369.27878	9.3
373.27344	7.7
377.23285	1.9
379.26324	4.9
387.24289	1.9
387.28674	8.7
397.27170	24.8
403.13708	2.1
415.28268	39.5
416.28479	3.4
433.16479	4.2
433.29443	100.0
434.29657	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.1
53.07840	1.6
55.01867	9.0
55.05506	31.8
57.03421	4.9
57.07059	7.1
59.04969	2.0
62.40608	1.6
65.03918	3.2
67.05141	1.7
67.05499	37.4
69.03426	52.7
69.07063	50.6
69.76763	4.6
69.77178	5.6
71.01335	2.9
71.04967	5.7
72.33459	1.5
73.02892	2.2
79.05485	30.2
81.03415	30.4
81.07049	96.2
83.04971	7.4
83.08612	15.4
85.02885	9.5
85.06535	9.8
91.05463	29.6
93.07036	54.8
95.04961	18.3
95.08600	85.6
96.49226	1.6
97.02872	10.9
97.06519	21.2
97.10158	21.9
97.14063	1.6
98.21410	3.1
99.04430	8.0
99.08078	5.0
101.06005	1.8
102.47841	1.9
105.07022	50.4
107.04934	6.4
107.08585	52.7
109.02858	13.5
109.06499	15.0
109.10145	45.4
111.04433	14.8
111.08073	14.9
111.11700	6.5
113.09623	1.9
115.05441	2.9
117.07018	9.2
119.04967	2.1
119.08565	46.7
119.73264	1.7
121.06490	9.9
121.10136	33.0
123.04417	6.6
123.08058	8.3
123.11691	26.0
125.05978	1.9
125.09620	12.3
127.03893	11.5
128.06178	4.3
129.05482	4.2
129.06970	5.9
131.04880	1.9
131.08542	21.5
133.06493	5.4
133.10118	31.9
135.08057	8.5
135.11688	23.3
137.05968	8.3
137.09567	9.6
137.13239	6.9
139.03816	1.8
139.07529	4.5
139.11151	8.9
142.07771	2.7
143.08530	11.8
144.09285	2.0
145.06526	4.2
145.10121	23.1
147.08066	8.0
147.11690	26.0
149.05984	3.9
149.09642	10.6
149.13239	21.3
151.07542	5.7
151.11154	6.3
151.14801	4.1
153.09117	2.4
153.12671	2.9
155.08519	3.4
156.09340	3.2
157.10173	10.7
159.08038	6.0
159.10448	2.8
159.11687	24.5
161.05881	1.9
161.09616	9.2
161.13263	22.0
163.07579	4.5
163.11125	8.1
163.14827	13.6
165.09105	10.3
165.12703	4.9
168.09268	2.0
169.10080	4.1
171.08028	3.9
171.11673	9.4
173.09576	5.9
173.13246	17.7
174.61095	1.6
175.11174	6.4
175.14812	13.7
177.09140	7.5
177.12718	6.2
177.16325	3.3
179.10718	3.2
181.04965	5.2
181.10147	2.5
183.11694	4.6
185.09573	3.4
185.13248	6.6
187.11259	3.1
187.14784	7.2
189.09125	4.4
189.12769	5.1
189.16373	5.0
191.10640	4.5
191.14288	4.1
193.15771	2.7
195.11786	2.0
197.13292	5.7
199.11124	1.9
199.14868	6.3
201.12798	3.2
201.16431	4.5
202.58226	1.9
203.10542	3.0
203.14302	2.3
203.18031	3.4
205.15904	3.1
207.10132	3.0
209.13383	3.3
211.14833	4.7
213.12808	3.5
213.16396	6.0
215.14125	3.2
215.17928	4.8
217.15833	2.1
219.13756	2.9
219.17476	2.3
223.16821	1.9
225.12759	1.8
225.16254	2.3
227.14368	2.4
227.17967	2.4
228.82864	1.9
229.15813	2.2
231.13762	3.0
231.17563	2.4
235.16884	2.4
257.18924	2.1
259.16986	2.4
287.23553	3.3
289.25400	2.1
299.23718	4.2
301.25104	2.2
305.24738	2.4
313.25223	2.8
317.24811	4.0
319.26129	2.3
329.24722	4.9
343.26599	1.9
345.28052	3.0
347.25720	3.0
355.26328	1.8
369.27835	7.3
373.27396	7.0
379.26337	5.2
387.28906	6.5
397.27350	20.3
415.28293	31.9
416.28250	2.0
433.09335	2.0
433.29480	100.0
434.29993	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	433.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.2
62.95242	1.6
67.05503	2.6
69.07055	3.0
69.18139	22.5
71.08603	2.4
79.05511	1.7
80.52094	1.7
81.07022	3.3
83.94120	1.9
95.08586	7.3
98.21626	2.8
118.48619	1.6
123.08034	7.9
132.77298	1.8
150.06708	3.8
151.07527	100.0
152.07877	9.3
167.16835	1.7
177.09106	6.7
191.10634	15.6
192.10956	2.8
205.12259	6.9
211.72220	1.8
346.45877	1.9
433.36249	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	434.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65828	0.4
53.03937	1.6
57.03424	0.9
59.04978	1.1
65.03920	1.1
69.03091	0.5
69.03423	3.2
71.04996	2.4
71.19250	1.0
73.02910	1.0
80.05009	0.6
81.03426	2.4
83.05005	0.5
84.04469	0.5
85.01115	1.8
85.02893	4.6
87.04457	1.4
89.06018	10.8
91.05470	0.7
94.26704	0.7
95.04958	0.4
97.02885	14.6
99.04472	1.1
103.03996	0.5
105.05470	0.8
105.07035	3.0
109.02883	2.8
110.06008	0.8
112.02172	1.5
115.53535	0.5
121.06491	0.9
123.04393	2.6
124.07560	2.2
127.03905	7.0
133.06499	0.5
135.04393	1.6
135.06497	3.6
137.05949	1.3
139.77840	0.4
140.01627	1.3
145.04959	2.3
147.04387	1.5
149.05901	0.6
151.03912	0.5
161.05875	0.6
163.03912	1.1
165.09096	1.0
166.08633	0.8
170.02679	5.9
184.09665	0.6
188.03743	100.0
189.04076	2.2
193.08510	0.8
227.14059	0.5
230.04755	1.2
231.08609	0.7
249.09630	0.6
261.09772	0.8
283.06021	1.1
292.11618	0.8
296.05795	1.1
310.12830	0.9
314.06885	21.7
315.07074	0.7
332.07956	1.9
416.13641	1.1
435.10733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.05509	1.8
57.03437	11.2
59.04976	1.0
61.02914	1.2
65.03963	0.8
69.03413	3.5
69.74123	2.8
69.74534	1.6
70.06551	1.3
71.04990	76.0
73.02905	2.7
75.04464	4.4
81.03406	1.4
83.04987	8.8
85.02899	100.0
86.03208	0.9
87.04464	2.5
91.05473	23.7
97.02881	5.8
99.04412	1.8
103.03908	0.8
105.07037	2.9
107.04948	1.3
109.02869	1.8
111.04442	4.4
119.08566	0.8
121.06487	1.1
121.10074	0.9
123.04424	1.6
124.07608	0.8
127.03916	4.3
129.05467	38.6
133.06487	2.2
137.05959	1.4
139.03816	0.8
145.04987	3.1
145.06540	1.1
146.08138	0.8
147.04489	1.2
147.06512	19.5
164.09148	4.8
165.01811	1.0
175.07489	1.5
176.31004	0.8
188.03798	1.1
255.08647	1.3
273.09616	0.9
309.11826	1.1
435.12512	0.7
435.18298	3.2
446.90311	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
53.29029	1.0
55.01866	7.1
57.03432	18.1
59.04985	1.9
61.02919	19.0
69.03417	31.8
70.97902	3.2
71.01334	4.6
71.04979	1.9
73.02910	79.3
75.41273	1.3
81.03410	5.7
85.02897	100.0
87.04459	5.1
91.03928	4.6
97.02884	58.2
99.04440	3.2
101.02356	1.4
103.03913	3.1
105.07030	14.5
109.02876	7.8
115.03922	24.4
127.03902	30.7
133.04002	2.1
133.04953	30.7
145.04951	44.9
147.08046	2.0
150.07620	3.4
163.05983	21.8
194.17635	1.2
199.05917	1.5
201.09099	3.8
205.04884	1.7
217.07227	1.8
219.10245	3.0
223.05942	4.0
241.07042	3.8
259.08127	7.3
272.05396	1.3
277.09219	2.0
285.13293	5.0
295.10196	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.01860	1.9
57.03148	1.8
57.03430	32.5
58.57774	0.9
59.04985	4.0
60.04513	1.9
61.02921	7.0
69.03422	75.1
69.88419	6.3
71.01335	1.7
71.04980	2.2
73.02911	23.3
75.04477	2.2
80.24780	1.0
81.03419	7.7
85.02895	100.0
86.03220	0.9
87.04458	43.7
91.03954	3.1
92.75528	1.0
97.02880	68.6
99.04441	3.3
101.02398	1.3
103.03926	1.6
105.07025	8.1
109.02866	4.9
114.33179	1.1
115.03917	75.2
127.03905	21.0
128.61482	0.9
133.04948	73.7
134.05350	1.5
145.04944	35.1
147.08005	1.5
150.07599	11.2
163.06015	19.2
163.07384	1.5
167.06978	1.4
181.04945	2.5
189.09088	1.2
195.65266	1.0
201.09033	2.1
201.15488	1.2
219.10149	1.8
223.05945	2.4
231.10112	1.2
241.07076	3.3
259.08099	4.4
274.33298	1.2
277.09216	1.6
285.13339	2.4
295.10233	2.2
303.04922	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	18.7
55.05505	12.3
57.03418	10.9
65.03923	23.3
67.05486	27.9
69.03417	34.4
69.07051	19.5
71.04967	48.9
71.41824	8.9
71.52433	10.9
71.52802	11.1
75.04482	12.2
79.05471	47.1
81.03400	25.9
81.07067	58.5
83.08595	10.6
84.04456	13.8
85.02900	97.8
91.05466	58.7
93.03365	15.3
93.07019	74.4
95.04943	24.0
95.08614	49.5
97.02879	19.6
97.06523	16.8
99.08089	15.9
101.47599	8.6
103.05469	19.8
105.07011	77.3
106.04156	16.0
107.04934	34.1
107.08619	50.1
109.06503	9.7
109.10133	25.8
111.04440	17.0
119.04942	8.8
119.08560	27.6
121.02840	9.7
121.06500	28.2
121.10120	54.5
123.04411	31.4
123.08077	10.9
123.11708	9.5
125.05918	13.4
125.09613	31.7
127.03923	15.4
127.11147	12.8
131.04890	9.9
131.08501	12.1
133.06454	11.7
133.10121	90.4
135.11732	11.0
137.05949	28.5
143.10680	33.7
145.06430	19.7
145.10144	20.6
147.04405	19.6
147.11700	16.8
149.05949	19.8
149.09621	16.7
149.13245	35.1
153.05363	13.6
159.11665	21.6
161.06041	15.3
163.03954	16.2
163.07625	13.7
165.05415	16.6
167.06992	92.3
167.14282	67.5
175.14810	9.7
177.05429	22.4
181.04973	94.7
181.08580	17.2
187.07614	10.5
191.07140	9.1
201.16354	26.0
207.06461	11.8
209.08054	31.9
219.10135	12.3
219.17441	100.0
221.08165	14.8
233.07997	46.5
237.18448	15.3
263.09082	17.6
287.05563	59.3
288.05798	90.8
290.55402	11.0
303.04669	11.4
417.15356	30.6
434.20999	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	435.0918
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
61.02926	1.6
68.61639	0.7
70.97908	2.1
73.02911	10.8
115.03909	1.3
121.02849	1.2
137.02341	1.9
153.01822	5.0
154.85239	0.7
161.92737	0.8
163.03896	1.0
165.01816	2.4
167.06953	1.5
181.04967	0.8
183.02957	0.8
201.05475	2.0
229.04904	4.5
257.04437	2.8
274.04611	1.0
285.04004	0.9
303.04968	100.0
304.05368	4.1
339.38303	0.8
341.62927	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1283
Annotation	Isoinnovanoside
Peak:m/z	Relative Intensity
53.03932	1.2
55.01871	0.6
55.05506	0.7
60.39902	0.5
65.03925	1.6
67.05495	0.6
69.03425	2.9
71.04971	0.5
71.52853	0.5
73.02905	0.6
76.51764	0.4
79.05475	1.4
81.03419	3.5
81.07044	1.0
83.08556	0.4
85.02881	2.1
91.05467	9.7
93.07044	0.8
95.04940	0.8
95.08597	1.1
97.02868	0.6
97.06513	0.5
99.04464	0.6
100.11214	0.9
103.05485	0.5
104.10688	0.5
105.07010	1.2
106.04176	0.6
107.04967	2.8
107.08547	0.8
109.02875	1.3
109.10193	0.5
114.10012	0.4
117.07005	1.0
118.38120	0.5
119.04934	19.9
119.05779	1.0
119.08549	0.9
121.06528	0.5
123.04417	1.8
123.11633	0.5
124.05204	0.8
127.03905	33.6
128.04251	0.7
129.07001	0.5
131.04906	0.9
133.06488	0.6
135.04344	0.6
137.05972	0.9
145.06468	1.3
147.04395	100.0
148.04750	1.4
157.06459	0.8
161.05965	1.4
163.03864	0.5
165.05446	2.9
167.07028	9.8
171.06499	0.7
172.05190	3.6
173.05986	0.7
175.07477	0.6
177.05605	0.7
181.04938	7.2
181.08459	0.7
187.07578	0.7
189.05443	0.8
193.45749	0.4
200.04640	1.3
201.05479	0.7
218.05780	2.6
218.07509	0.4
219.08145	0.5
221.08038	0.9
227.54056	0.5
233.08047	17.7
235.09555	0.8
245.08012	0.6
263.09091	2.9
291.08649	4.7
293.08765	0.5
303.04932	2.2
307.09595	0.6
309.09677	2.0
339.12317	0.5
355.07895	0.5
367.12360	0.5
387.14478	0.9
399.14377	0.9
417.15503	4.8
435.15875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1283
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
55.01868	4.9
57.03429	17.5
61.02907	4.0
65.03919	4.6
68.99783	3.5
69.03419	26.0
70.03756	4.5
70.87846	6.5
71.04987	4.4
73.02909	11.8
74.03252	2.5
77.27607	2.3
79.05492	7.2
81.03406	6.2
81.07040	4.6
85.02892	58.7
86.03223	9.6
87.04461	10.7
88.04768	5.3
91.05479	8.7
91.06384	2.4
93.07050	4.8
95.04977	8.9
95.08600	3.6
97.02875	32.7
97.06508	2.9
98.03201	7.2
102.36291	2.4
105.07018	10.5
107.04932	10.4
107.08550	3.6
109.02877	11.3
109.06503	3.2
110.50647	2.6
111.04432	2.8
111.08057	2.4
115.03918	23.2
116.04238	8.5
117.06947	2.6
119.04917	6.7
119.08567	2.9
121.02856	22.0
121.06527	2.5
121.10094	12.1
123.04423	15.4
123.11739	3.6
124.05177	3.3
125.02386	4.6
125.05988	4.8
127.03899	11.0
133.04968	20.1
134.05270	8.4
135.04373	6.0
137.02347	5.0
137.05972	7.6
139.11176	2.7
142.02548	2.5
145.04942	9.4
145.06473	3.4
146.05302	4.3
147.04382	16.1
149.02309	3.5
151.07584	5.3
153.01825	12.1
161.05937	14.5
161.09663	2.9
163.03940	13.4
163.05986	4.7
165.01805	46.0
167.06993	17.5
167.10670	8.7
171.02888	5.8
171.06506	3.1
175.03995	3.8
175.07503	4.7
177.01825	17.1
181.04906	34.9
183.02881	29.2
185.11620	2.8
187.07526	3.8
189.01799	5.8
189.05428	2.7
189.09117	9.4
191.03384	28.4
193.01382	3.2
195.02859	100.0
203.03354	4.9
205.04977	3.5
207.10106	12.6
215.03430	3.3
218.05817	2.9
219.02884	39.7
219.10162	4.3
229.05043	2.9
231.02832	32.0
233.04500	3.5
233.08029	21.9
243.02887	5.7
249.04007	11.0
261.03906	28.7
263.09152	4.4
273.07587	7.6
279.04965	8.5
285.07541	41.3
297.07697	18.3
303.04904	23.3
315.08536	16.2
329.15906	5.5
332.19513	2.7
339.08588	34.6
351.08618	22.9
363.08420	7.2
381.09555	10.6
387.14420	4.2
399.10648	11.1
414.90567	2.9
417.15533	13.2
435.21939	11.0
459.88165	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1283
Annotation	Naringenin 4'-O-galactoside
Peak:m/z	Relative Intensity
55.01861	1.6
55.05490	0.8
57.03434	1.2
65.03928	3.4
67.05496	2.9
68.99775	1.3
69.03414	3.1
69.07066	1.2
69.69305	0.8
69.69623	6.6
71.04994	1.3
72.08084	0.9
73.02906	1.8
77.90099	0.9
78.91402	0.9
79.05481	5.2
81.03407	2.3
81.07047	3.9
83.04961	1.1
85.02892	4.8
85.06544	1.5
91.05473	6.8
93.03402	0.9
93.07031	2.2
95.04954	5.4
95.08633	2.0
97.02890	2.3
97.06512	1.3
98.20850	1.2
102.02932	1.0
102.87925	1.0
103.05483	1.4
105.07008	4.5
107.04950	12.4
107.08589	2.2
109.10150	2.2
110.03663	1.4
111.04449	1.5
115.05418	2.3
117.07014	3.4
119.04929	11.4
119.08561	1.5
121.02843	2.3
121.06510	1.8
121.10137	1.8
122.06017	0.9
123.04406	9.7
123.11700	1.0
124.05172	1.5
125.05958	1.3
125.09642	1.1
126.05502	6.3
127.03916	2.6
127.05825	2.0
128.06166	1.1
129.06998	1.7
131.04901	2.0
131.08556	1.3
133.06479	2.9
133.10104	1.5
133.33151	1.0
135.04388	2.4
137.02328	1.5
137.05948	4.2
141.06960	1.3
144.05626	1.8
145.06473	8.1
145.10138	1.1
147.04391	35.0
147.08011	1.1
148.22781	0.9
149.05963	1.4
151.03888	2.4
153.01808	64.0
155.04889	1.7
155.06001	1.6
157.06441	2.4
159.08044	1.5
160.05136	1.5
161.05931	6.3
163.03871	3.3
165.01825	1.4
165.05426	1.0
165.06903	1.3
166.02638	1.2
167.07018	32.7
171.02859	3.3
171.06512	2.1
172.05211	5.8
173.05994	4.4
174.06763	1.1
175.03961	1.5
175.07509	1.6
177.05450	2.6
179.07050	2.0
181.04933	27.9
181.06528	2.0
181.08505	1.1
183.02931	1.2
185.05959	1.3
187.07553	2.7
189.05493	3.7
190.06219	1.7
191.03481	1.2
191.07132	1.4
193.04942	1.1
195.02818	1.7
200.04774	1.4
201.05484	3.4
203.06941	1.9
205.08549	3.6
206.05688	1.7
206.61682	0.9
207.10149	1.2
209.08080	1.6
213.05615	1.2
217.08563	1.6
218.05626	4.7
219.06407	1.8
221.07829	5.4
231.02882	1.0
231.06427	1.7
233.08055	39.4
235.07446	1.3
235.09662	2.6
245.08037	2.2
251.09157	3.2
263.09189	6.9
263.90555	0.9
271.05963	1.5
273.07541	100.0
285.07471	1.9
303.04889	11.9
309.07422	1.5
313.07684	1.0
331.08124	2.5
335.09341	1.2
337.10843	1.1
339.08438	1.7
339.12244	2.3
343.84531	1.0
353.09821	1.2
367.11673	2.1
372.12247	1.0
387.14371	4.5
399.14169	2.7
417.15417	27.8
435.21518	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	435.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17015	0.8
62.12367	0.8
66.12367	0.9
69.03426	2.6
69.96185	4.5
71.04981	4.7
73.75226	0.9
85.02892	9.8
89.18152	0.9
97.02874	2.4
98.21451	1.4
107.04929	2.3
122.73507	1.0
123.04393	3.9
127.03902	100.0
128.04240	1.4
129.05476	1.0
137.05956	2.1
145.04936	1.2
147.04370	1.9
151.03804	1.1
165.05472	2.3
183.06506	1.7
237.63852	1.0
283.06018	1.8
289.09180	3.6
290.47751	1.0
435.14630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.8
53.07507	2.3
55.01865	2.9
57.03428	6.7
61.02903	5.6
67.07339	2.5
69.03420	17.8
70.06557	2.9
70.12760	9.3
73.02908	4.9
79.05480	4.0
81.03387	11.3
83.04951	4.0
85.02894	45.6
91.03915	3.6
91.05492	3.8
94.00918	2.6
94.76627	2.4
95.04964	4.9
97.02887	17.0
99.04471	3.0
105.07021	4.1
107.04946	6.1
109.02878	5.5
109.06506	6.8
110.05978	4.1
111.04425	3.5
115.05390	2.5
119.04907	3.0
121.02876	17.7
123.04408	22.0
125.05956	3.7
127.03879	7.8
133.04955	4.0
135.04411	3.3
137.04999	4.5
137.05965	49.5
138.05458	3.6
139.03882	4.4
141.05457	22.8
141.20906	2.5
147.04314	3.6
151.03857	6.1
151.07503	4.2
153.04298	4.5
153.05458	44.4
161.05960	3.2
163.03894	6.5
163.07542	4.0
164.61958	2.7
165.05458	100.0
175.07495	3.6
177.05431	21.5
179.06975	5.9
183.06516	83.5
184.06914	2.6
189.05417	6.9
191.06992	9.7
195.06555	4.9
205.04869	3.5
207.06503	24.0
219.06482	29.0
225.07445	3.0
231.06595	3.5
237.07532	37.6
249.07495	5.8
255.08572	5.1
261.07620	4.8
273.09729	11.9
285.07660	3.1
303.10666	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	435.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
54.32910	0.6
55.01849	1.1
55.05499	0.9
65.03925	1.7
67.05478	1.5
69.03402	2.1
70.79539	1.5
78.04697	0.8
79.05482	5.4
79.71223	0.6
81.03408	1.4
81.07032	2.3
85.02874	2.3
91.05470	3.8
92.24403	0.6
93.07024	2.1
95.04944	2.2
95.08587	1.2
97.06540	1.2
103.05482	1.0
103.06242	0.5
105.07007	2.6
105.29997	0.5
106.04153	0.8
107.04942	10.1
107.08587	1.0
109.02842	0.6
109.10117	0.9
111.04445	0.9
115.05410	2.4
117.07015	1.8
119.04957	3.4
119.08559	1.0
121.02766	0.6
121.06470	1.2
121.10126	0.8
123.04379	2.8
124.05164	1.9
125.05979	1.8
127.03922	6.2
128.06154	0.7
129.06947	1.4
131.04921	1.2
131.08496	0.9
133.06497	1.7
133.10085	0.9
135.04347	0.9
137.05960	2.4
141.06935	0.6
143.04881	0.7
144.05693	2.1
145.06477	4.3
147.04404	14.7
147.08008	1.6
149.05960	0.9
151.03848	1.1
152.04671	1.0
155.07066	0.9
156.05580	0.7
157.06468	2.4
159.08012	0.9
160.05200	1.2
161.05960	4.2
165.05449	1.5
167.07028	29.3
168.07295	0.8
171.06461	1.0
172.03651	0.8
172.05167	19.5
173.05939	2.7
175.07518	1.8
181.04948	19.8
181.08559	1.0
187.07536	2.2
188.70155	0.6
189.05432	2.9
190.06178	1.2
191.06987	1.2
195.06607	0.8
200.04677	9.6
201.05389	2.6
203.06853	0.9
205.08569	2.5
206.05740	0.7
217.08643	1.6
218.05714	14.5
218.07733	0.9
219.10107	1.0
221.08026	3.5
231.06270	0.9
233.08061	100.0
234.08507	2.9
235.09601	1.2
245.08116	1.3
247.07545	0.9
251.09169	1.3
255.11212	2.2
263.06616	1.4
263.09146	16.2
273.12357	3.9
279.10004	0.7
292.06995	0.7
293.08090	1.0
303.05048	2.8
307.09491	1.3
323.09021	0.8
331.08066	1.3
335.09152	0.9
339.12228	1.4
346.10526	0.7
355.11707	1.2
367.11694	2.6
371.14944	0.8
384.11874	0.8
387.14310	1.8
399.14325	2.6
403.73630	0.7
417.15421	18.2
418.15698	1.3
435.16934	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1647
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03926	1.7
55.01858	2.2
55.05503	2.9
65.03934	9.6
65.42094	1.2
67.05484	3.6
69.03407	4.0
69.43501	9.0
75.04477	1.6
77.22456	1.1
78.04688	2.4
79.05485	8.4
79.23608	1.0
81.03403	3.9
81.07037	2.8
82.04171	4.1
82.06574	1.2
83.08608	2.6
85.02893	7.7
89.03891	1.0
91.05476	8.3
93.03388	4.8
93.07021	3.5
94.04166	1.3
95.04957	6.5
95.08661	1.2
97.06500	3.1
98.20760	2.4
100.11254	6.6
103.05452	4.6
105.06993	3.0
106.04170	7.9
107.04947	18.2
108.02099	1.4
109.06485	1.5
109.10142	1.4
110.03626	4.0
110.67963	1.1
111.04439	4.0
115.05428	5.5
116.06249	1.4
117.06985	3.8
119.04943	1.6
119.08536	1.3
121.06496	8.7
123.04423	11.7
124.05192	1.9
125.06010	5.5
127.03883	4.2
127.50053	1.1
129.06961	2.6
131.04947	1.9
131.08566	2.3
133.02872	1.4
133.06479	2.6
135.04379	1.3
136.05153	1.3
137.02368	1.7
137.05984	3.9
138.03094	3.1
139.03880	1.2
139.07533	1.3
142.02579	1.9
143.04953	1.7
144.05711	3.3
145.06442	8.9
147.04404	3.6
147.11743	1.4
148.05028	1.3
149.05966	9.7
151.03841	1.4
151.07504	2.1
153.05455	2.3
153.09074	2.8
155.05981	1.8
155.07143	2.3
157.06476	3.1
159.08018	4.2
160.05090	1.6
161.05959	6.1
163.03957	1.7
165.05481	2.2
167.07028	51.2
171.06564	4.3
172.05219	8.0
173.06007	5.4
175.07471	1.8
177.05418	7.0
179.07092	1.4
181.04939	100.0
181.08524	4.9
182.05324	1.8
182.15385	4.1
183.06531	1.2
185.05981	1.6
187.07567	9.9
189.05482	3.3
190.06055	1.8
191.07030	3.3
191.10660	2.2
200.04654	4.1
201.05476	5.5
203.06976	1.8
205.08655	6.3
206.05713	2.8
207.06468	1.4
209.08067	15.5
210.14883	4.8
217.08612	1.7
218.05664	7.2
219.10129	4.9
221.08133	6.2
233.08058	62.3
235.09621	2.1
245.08107	4.1
251.09160	3.2
263.09131	9.4
268.21521	1.9
273.07535	2.0
279.10172	1.2
303.04996	1.4
307.09534	1.8
309.07523	1.1
325.07236	1.2
331.74475	2.0
339.12158	1.6
340.75250	1.2
342.45764	1.1
355.11679	2.9
357.20294	1.3
367.11554	3.3
371.14792	1.8
372.12161	1.7
381.13208	3.0
387.14288	9.1
399.14368	5.6
417.15393	28.1
418.15414	1.3
440.77380	1.2
446.91934	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3467
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
55.01851	1.0
55.05507	0.6
57.07059	1.3
67.05494	0.8
68.37568	0.5
69.03442	0.5
69.07047	1.4
71.08627	0.7
79.05465	0.5
80.89999	0.5
81.07022	1.2
83.08598	0.9
91.02425	0.5
95.08577	0.9
99.00723	0.5
99.04448	4.8
109.10147	0.6
111.04451	3.3
111.06704	0.4
117.71074	0.6
125.05981	12.5
127.24635	0.6
141.05455	6.6
143.25056	0.5
153.05452	100.0
154.05777	2.2
167.07079	1.0
181.08511	0.7
372.97488	0.5
376.78970	0.6
417.25403	0.6
417.33566	11.5
418.33829	0.8
435.25186	1.0
435.34680	26.9
436.35110	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	435.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01856	6.2
55.05508	27.9
55.05759	3.7
57.03401	2.8
57.07058	10.0
61.21488	2.3
65.03912	8.7
67.05500	55.7
69.03422	5.2
69.07062	39.0
69.71211	4.5
69.71622	11.8
71.08622	5.1
77.10622	1.9
78.59464	1.9
79.05486	31.0
79.29483	2.3
81.03402	7.9
81.06578	4.9
81.07053	100.0
82.07377	2.4
83.04953	5.6
83.08617	20.8
85.02876	6.6
85.06519	7.1
91.05472	25.7
93.06474	3.1
93.07038	43.3
95.04957	14.2
95.08598	67.1
97.02867	2.4
97.06516	8.5
97.10150	9.8
103.05449	2.5
105.07021	28.5
106.04173	3.5
107.04951	13.3
107.08575	34.6
109.02850	2.1
109.06504	10.3
109.09461	3.8
109.10150	53.2
110.03658	3.3
111.04404	6.8
111.08082	6.3
111.11707	6.7
115.05472	3.2
117.07018	9.7
119.04921	2.5
119.08577	28.7
120.34096	2.3
121.04102	2.2
121.06462	8.1
121.10127	26.4
123.04474	6.1
123.08051	4.5
123.11707	22.6
125.05959	7.7
125.09602	3.6
125.95177	2.0
127.03917	4.5
129.06950	6.3
131.04915	3.3
131.08559	11.3
131.11534	1.9
133.06445	6.0
133.10118	22.8
135.04384	4.1
135.08046	8.1
135.11697	15.4
137.05959	44.6
137.09619	3.5
137.13251	13.7
139.07552	3.4
141.07045	2.7
143.07011	9.3
143.08499	8.5
145.06490	5.2
145.10097	16.2
147.08076	3.5
147.11659	23.2
149.05954	8.5
149.09616	5.2
149.13257	15.6
151.03951	2.3
151.07512	9.4
151.14772	3.0
153.09148	2.7
155.08597	2.1
157.06427	3.0
157.10120	7.9
159.08081	2.9
159.11708	17.9
161.05951	5.4
161.09630	9.5
161.13248	10.9
163.07480	2.9
163.11194	3.7
163.14836	5.6
165.05551	2.5
165.09164	4.8
165.16412	3.5
167.07028	30.8
169.10138	3.4
171.08063	2.0
171.11667	6.7
172.05203	5.1
173.09566	5.5
173.13235	6.6
175.07492	2.3
175.11154	6.6
175.14828	4.8
177.05418	3.3
177.12749	3.8
177.16351	7.4
178.32498	2.3
179.10622	2.0
179.17873	2.5
181.04935	40.5
181.08470	4.6
181.12228	4.5
183.11650	3.3
185.13222	2.6
187.07610	2.7
187.11102	5.1
187.14725	5.2
189.12698	4.5
189.16391	6.5
191.10687	4.7
191.14174	2.2
191.17909	3.3
193.12283	5.4
199.14757	3.0
201.05455	4.8
201.12793	4.5
201.16318	3.0
203.14307	2.6
203.17967	2.7
205.08476	2.5
205.12262	6.0
205.19543	4.0
207.13803	6.8
209.08017	7.0
215.14326	2.7
218.05675	4.3
219.13849	2.3
219.20903	2.5
221.15242	3.0
227.10574	2.7
229.15947	3.4
231.17406	3.2
233.08040	26.4
247.16913	3.1
251.08977	3.3
257.19055	2.6
259.16910	3.2
263.09122	4.6
271.24011	2.4
287.19989	3.5
315.05191	2.4
343.22476	3.3
381.31384	8.5
387.14517	3.6
399.32687	24.2
417.15628	14.9
417.33749	41.1
418.15598	4.4
435.14163	10.0
435.26984	11.1
435.34729	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	436.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.01859	6.0
63.84216	2.8
67.05502	4.6
69.03400	11.4
69.07038	15.7
71.04970	5.5
71.53224	5.2
73.02898	4.6
76.86995	3.0
77.84620	2.8
79.05464	3.4
81.03392	9.7
81.07030	11.0
83.08549	4.5
84.82718	3.4
85.02886	28.7
87.00798	10.1
89.85915	3.0
91.05455	9.1
91.74838	3.6
93.07038	27.0
95.08581	13.5
97.02864	15.5
97.06516	56.6
99.04446	6.0
105.01842	13.6
105.07002	8.6
107.04921	8.3
107.08588	24.7
109.02843	12.3
109.06481	3.5
109.10140	17.4
121.06526	4.4
123.04418	8.3
125.09563	3.4
127.03910	19.4
135.11673	35.5
137.05937	4.6
141.60750	3.1
145.04921	9.2
147.04381	10.8
153.11505	5.5
153.12733	100.0
154.13110	4.2
167.07016	9.2
171.13808	19.9
181.04927	5.5
192.90741	3.0
231.04919	7.6
239.16454	4.5
274.14536	3.2
274.18024	3.6
287.05701	3.4
303.05045	6.6
304.05319	14.8
308.06046	3.7
401.17822	4.4
437.14856	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02839	1.0
52.65670	1.0
53.03928	1.3
55.01849	1.5
55.05503	2.7
59.04998	1.8
65.03947	1.3
67.05486	2.1
69.03414	3.2
69.07048	2.8
71.04991	16.0
71.52559	1.5
73.06541	3.9
79.05496	4.9
81.03396	2.3
81.07047	19.7
82.07321	1.1
84.75640	0.9
84.77258	1.0
85.02882	5.8
87.00793	1.2
91.05469	3.0
93.07030	14.0
95.04962	2.3
95.08598	3.8
97.02872	4.2
97.06550	1.9
105.01857	2.9
105.07027	1.7
107.04964	2.9
107.08582	11.9
109.10160	2.1
111.04466	1.0
114.31306	1.0
119.04952	2.6
119.08589	1.9
120.04439	4.8
121.02834	1.7
123.04430	8.2
127.03912	6.3
135.04407	2.8
135.11679	21.8
137.02315	1.4
147.04388	8.2
148.04765	2.2
153.12727	100.0
154.08566	2.4
154.13095	2.6
161.05959	2.1
161.13261	1.3
163.03888	3.2
165.05441	2.2
167.07079	3.1
172.05167	1.3
177.05498	1.5
181.04974	4.5
182.05356	3.5
191.03363	18.9
203.03426	1.1
203.17935	2.3
207.06525	1.8
208.55087	1.0
221.18938	2.1
243.06520	1.8
280.08920	1.7
285.07513	2.1
288.05658	1.1
288.73404	1.1
289.05957	1.4
343.08115	5.8
395.10812	1.6
401.74377	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	15.0
67.05494	14.9
69.03409	27.1
69.07053	55.7
69.89736	25.7
71.04966	10.6
79.05475	11.6
81.03410	10.7
81.07061	33.3
83.04978	12.7
85.02904	52.6
85.06504	18.0
87.00807	24.9
91.05466	21.1
93.07037	100.0
95.04938	8.4
95.08617	58.4
97.02861	27.6
97.06487	18.9
101.26081	6.9
105.01852	40.0
105.07015	9.4
107.08588	88.1
109.02857	7.9
109.10147	35.7
111.04409	26.7
119.08576	8.6
123.04369	6.7
123.11719	9.7
127.03891	37.1
130.99763	5.8
135.11684	77.9
145.04933	25.0
153.12706	29.0
156.05623	5.6
159.02815	6.3
182.05305	7.9
231.05043	11.0
239.16425	20.4
249.05846	8.2
282.25797	6.2
402.25580	6.6
422.89154	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	436.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.3
55.01862	4.6
55.05505	5.6
57.03417	3.4
57.07053	3.2
67.05485	7.9
69.03423	12.2
69.07047	10.1
69.07372	2.1
70.97388	6.7
71.04977	2.3
73.02897	3.8
79.05472	9.2
81.03419	13.7
81.06585	3.8
81.07047	46.9
82.07374	2.4
85.02892	28.3
87.00819	12.0
91.05445	17.9
93.07034	100.0
95.04942	5.4
95.08604	29.0
97.02879	15.0
99.04433	4.2
100.14087	2.0
100.63004	2.1
105.01854	11.3
105.07010	8.6
107.04902	2.7
107.08582	49.7
109.02866	12.5
109.10143	13.2
110.82005	2.7
116.91364	2.2
119.08607	4.0
127.03911	21.1
133.10060	2.8
135.11682	93.7
137.13248	27.4
139.84416	2.4
145.04912	12.0
153.12723	5.3
159.02866	6.5
181.04907	3.1
231.05104	2.6
233.08029	2.6
273.21756	2.3
455.79272	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	436.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62241	0.4
55.05500	0.5
56.50582	0.4
57.06836	0.5
57.07068	6.2
58.06593	2.3
58.77335	0.4
69.07051	0.9
69.27788	3.4
69.28198	1.1
70.06213	1.0
70.06588	19.7
71.08620	3.1
72.08099	0.5
74.84770	0.4
75.02386	0.6
75.24722	0.4
79.05453	0.8
81.07041	0.5
85.10145	0.8
88.07622	21.6
91.05468	0.5
95.04927	1.0
98.21461	1.0
102.09173	17.2
103.01821	2.6
111.04369	1.1
120.02051	0.9
125.05949	0.7
135.04391	5.3
153.05452	2.9
160.58348	0.4
161.40489	0.5
163.03879	90.3
163.05008	4.9
164.04173	1.0
207.06508	92.6
208.06931	0.7
256.26331	56.7
257.26624	1.1
355.77954	0.6
436.30551	100.0
437.30948	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.144
Annotation	Monnieraside III
Peak:m/z	Relative Intensity
50.00444	1.1
53.03956	1.0
55.01860	1.2
65.03939	3.5
65.40349	1.0
67.05502	1.3
68.99783	1.1
69.03413	2.2
71.44740	2.0
71.45060	1.0
73.02886	1.0
79.05507	1.7
81.03403	3.0
85.02901	6.8
91.05474	3.3
93.07033	1.5
95.04945	2.1
95.08589	1.9
97.02884	2.8
103.03941	3.2
103.05492	1.3
105.07014	3.5
107.04880	1.2
109.06531	1.0
111.04433	3.6
115.05505	1.8
117.06992	1.3
119.04948	2.5
121.02862	100.0
121.10139	1.5
122.03178	2.1
123.04408	4.1
127.03891	1.6
128.06226	2.4
129.06996	3.7
131.04944	1.7
133.06435	2.2
137.05957	7.1
139.03888	3.5
143.04933	2.1
145.06485	1.5
147.04335	5.1
149.05984	3.5
151.07541	4.7
153.06917	2.3
157.06488	2.8
159.04312	1.0
161.05986	6.8
163.03888	1.0
165.05473	15.0
173.06038	1.7
174.06654	1.2
175.07527	3.5
177.05464	1.8
179.07057	4.2
181.04936	2.7
181.06424	1.4
185.05966	2.3
188.03766	1.6
189.03952	1.2
189.05530	1.4
191.06960	2.3
199.07494	1.8
203.07039	6.0
217.08568	3.0
221.08067	3.7
223.06010	4.5
227.06992	3.3
233.07872	1.4
245.08052	9.4
259.05780	1.2
263.09180	8.5
281.10181	1.5
283.08319	1.1
287.05405	1.4
299.09183	1.2
303.04779	1.3
304.05276	1.0
305.05481	2.8
315.07480	1.2
346.51047	1.2
355.51782	1.0
401.12112	1.3
419.07980	2.0
437.14194	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	437.3622
Annotation	5beta-cholestan-3alpha,7alpha,12alpha,24(S)-tetrol
Peak:m/z	Relative Intensity
50.92893	2.3
52.85317	2.1
53.03940	2.7
55.01883	2.9
55.05507	19.8
57.07054	7.2
65.03960	1.9
67.05502	12.8
69.07063	26.0
71.08606	4.4
71.52396	2.7
74.63203	1.9
79.05485	6.2
81.07048	25.5
83.04979	19.9
83.08620	11.9
85.10151	3.1
91.05476	8.0
93.07018	8.5
95.08596	18.8
97.10149	5.8
97.18343	1.8
105.07018	5.9
107.08578	8.5
109.06508	13.7
109.10170	7.7
119.08560	7.5
120.72059	2.4
121.10132	7.9
123.08083	5.3
123.11696	5.8
125.05980	4.4
125.13217	2.1
133.10109	4.8
135.08029	4.0
135.11691	3.9
137.05963	50.0
137.06955	3.9
137.13255	3.2
140.55721	2.0
145.10141	2.9
147.11696	3.9
149.09569	3.0
151.07558	11.1
155.07024	12.0
157.10124	2.4
159.11656	3.1
161.09621	4.5
161.13190	2.8
165.09122	6.2
173.86661	2.0
175.11154	5.2
177.12761	2.0
179.10670	4.2
187.11179	2.3
189.12733	6.1
193.12231	5.5
207.13797	3.5
227.17244	2.0
235.16788	2.9
383.32977	3.2
401.34134	25.2
419.35159	100.0
420.35559	7.7
437.36285	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	438.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
65.03944	0.3
69.03426	1.7
70.02135	1.8
70.06576	0.9
71.04969	1.0
79.05489	0.3
81.03412	2.9
81.07018	0.5
85.01108	1.5
85.02904	2.4
89.06023	0.7
91.05486	0.6
95.04970	0.4
97.02890	10.2
98.20821	0.5
99.04430	0.9
103.02135	0.5
107.04945	1.1
109.02860	2.1
112.02174	2.1
121.06412	0.4
123.04424	1.6
127.03907	3.5
134.57199	0.3
135.04433	0.6
137.02252	0.3
137.05994	0.5
139.03894	0.6
140.01654	1.8
140.03424	1.3
141.05511	0.4
144.04665	0.3
145.04965	0.5
147.04370	0.8
152.88895	0.4
157.01872	0.5
158.02664	1.2
163.03929	0.4
165.09229	0.4
167.07085	0.8
170.02693	7.3
177.05453	0.4
183.55186	0.4
188.03751	100.0
189.04102	2.0
204.03264	2.9
208.06288	0.3
230.04849	0.8
271.06305	0.5
287.05432	0.8
296.05838	1.1
314.06897	23.3
315.07092	0.6
330.06348	0.5
332.08115	2.5
357.34253	0.3
438.14069	1.1
439.15875	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43362	29.2
70.69162	3.4
80.79088	3.5
91.05463	14.9
93.07027	3.6
94.63364	3.3
95.04942	5.1
95.08591	3.9
105.06998	5.5
107.04932	17.5
108.05716	8.5
109.06521	3.2
109.10166	3.6
119.04936	10.3
121.06487	13.5
124.05122	4.0
125.06026	3.8
133.06483	3.6
135.04425	5.4
135.08023	4.1
136.05174	10.1
138.06693	4.8
139.07516	21.6
147.04388	24.1
147.73819	3.6
148.05115	3.8
149.02275	5.7
149.06023	5.3
150.06728	7.1
151.07521	100.0
153.05441	4.8
162.06807	9.1
163.07527	8.1
165.09085	21.4
167.07010	9.7
179.06917	4.8
193.08624	18.6
195.10143	6.6
210.08949	3.8
287.72369	3.9
396.40726	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	439.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37830	2.4
56.96557	6.4
58.99849	4.8
69.57156	17.4
77.00900	2.9
85.02905	7.0
91.05465	8.2
98.20785	5.1
98.97561	5.2
101.00861	21.9
103.02436	9.5
105.00367	3.0
113.19903	2.6
114.99042	3.4
115.02435	9.1
116.98627	5.7
117.03977	24.3
119.01913	85.1
119.04945	13.6
120.01997	3.3
121.03506	6.4
127.02425	6.0
128.98566	3.8
129.03993	4.7
131.01884	19.6
133.03448	20.9
135.05086	17.6
137.02945	18.9
141.03912	3.1
143.00174	3.7
143.01877	25.3
143.93562	2.5
144.99850	14.7
145.03459	87.1
145.04657	4.4
147.01396	6.6
147.04305	40.8
149.02925	4.8
151.04523	4.3
155.01927	12.6
157.03459	22.2
159.01376	4.0
159.04994	15.9
161.02943	50.0
163.00888	3.5
163.04564	34.1
165.02420	4.1
168.99747	4.0
169.03450	14.4
171.01381	11.2
171.04947	5.9
172.99339	7.9
173.02943	14.0
175.04523	24.8
177.00917	4.2
177.02449	11.4
177.06012	4.3
179.04082	5.2
185.03009	15.8
187.00945	13.5
187.02858	4.8
187.04478	39.8
189.02428	28.6
190.02701	3.3
191.00371	7.0
191.03938	5.5
195.01373	16.6
195.03220	2.5
196.99350	3.5
197.02937	6.1
199.04518	10.6
201.02428	6.5
201.06053	3.2
202.04904	3.1
203.04051	12.0
205.01927	13.5
205.03644	4.9
205.05495	4.0
207.03493	11.0
210.06155	3.7
211.00787	2.9
213.02405	43.5
215.00334	12.1
215.03993	4.1
217.01947	10.3
217.05568	7.4
219.01643	3.4
219.03499	5.7
221.05064	11.7
223.04541	8.6
227.04004	7.3
229.01833	5.9
231.03511	14.7
232.03461	3.6
233.01418	5.2
239.00423	11.4
241.01830	12.3
243.03564	3.7
245.05081	14.9
247.04733	19.4
247.06723	10.4
251.02448	8.9
255.03723	3.2
257.01492	11.9
257.05176	4.4
259.02945	4.1
261.04388	3.4
265.05429	7.5
265.07758	21.3
266.99701	3.4
271.03043	3.5
273.04520	8.4
275.02341	14.3
275.05948	2.2
285.00864	5.7
289.03958	5.9
293.03555	9.6
299.02567	5.2
301.00406	20.6
301.03732	5.3
305.03525	4.0
307.05112	5.2
315.01907	4.1
315.05435	3.4
317.03470	9.4
321.10361	4.0
329.00009	5.2
333.02933	16.8
333.06607	6.4
343.01379	4.3
345.02994	5.7
361.02472	100.0
362.02502	7.2
370.25955	2.9
373.02716	3.3
379.04169	5.5
385.02579	3.1
391.03522	7.9
403.03091	5.8
403.07611	6.2
421.03778	5.5
421.08652	7.0
439.09052	11.4
439.14102	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	439.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60886	1.4
56.96559	19.3
57.03421	2.2
61.02914	1.5
62.12572	1.8
69.03416	5.6
70.45232	5.6
71.04960	2.1
77.71918	1.4
80.16393	1.4
81.03400	3.4
84.96024	6.2
85.02905	11.8
87.04434	2.7
91.05472	3.3
97.02876	5.6
98.97572	100.0
110.97531	9.0
111.04401	1.9
116.98611	62.6
118.10191	1.6
119.01871	4.4
119.04911	4.2
123.04424	4.5
127.03900	5.7
128.98596	13.6
131.00197	2.3
131.01895	1.4
134.99641	31.9
135.04353	1.9
137.05962	5.3
137.68036	1.4
139.03807	2.0
140.00180	3.0
140.98538	2.5
143.00122	1.9
143.01883	1.9
145.01750	2.2
146.99609	10.6
147.03328	2.5
147.04393	12.7
149.01175	3.5
152.84619	1.5
152.98596	3.6
153.00629	2.5
155.01891	1.5
155.04648	2.3
158.99635	38.1
161.01147	5.3
161.02957	5.7
162.99199	1.6
163.02702	5.1
163.03946	4.0
165.00668	1.7
165.04294	2.0
167.07068	1.9
170.99658	5.3
171.03226	2.1
171.63390	1.5
173.02950	2.1
177.00706	43.4
177.04156	1.6
177.05630	1.8
189.00717	4.8
189.04294	11.5
195.01805	1.6
197.82402	1.7
199.02968	2.5
200.02260	2.9
201.00670	1.9
207.01657	1.8
207.05392	3.8
215.07654	1.6
217.03674	1.7
219.01724	16.4
219.05077	2.4
221.05090	1.9
223.04575	3.5
231.05353	3.5
237.02797	34.1
247.04655	6.2
249.06326	2.0
255.04015	2.0
265.05887	13.4
266.03391	1.6
272.10373	1.6
277.64874	1.6
279.03699	1.9
283.06760	2.9
287.05466	1.8
291.07462	20.8
293.05304	1.9
293.10898	2.7
295.10516	1.4
309.08545	76.4
310.08722	2.5
321.08521	2.0
332.10110	7.3
349.08231	1.9
351.09619	11.1
363.09744	1.9
367.09106	2.5
379.09109	19.2
397.10123	4.3
421.10062	7.2
439.11084	26.6
462.72742	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31348	0.3
55.05491	0.9
65.03923	1.8
67.05490	0.9
71.05032	0.7
81.07063	0.4
83.04968	2.1
91.05470	13.5
105.07088	0.3
109.10122	1.0
111.04433	7.4
119.04928	29.2
120.05233	0.6
124.35847	0.3
125.15612	0.3
127.03871	0.3
135.54677	0.3
147.04391	100.0
148.04683	2.1
173.35445	0.3
183.05786	0.3
199.84261	0.3
211.13280	0.4
257.08121	1.4
275.08923	0.3
290.86493	0.4
439.13516	0.5
439.26947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18877	0.2
55.05513	0.4
59.56169	0.2
64.67383	0.2
65.03928	1.2
70.97394	0.4
82.46635	0.2
83.04968	0.7
84.71272	0.2
85.93687	0.2
91.05470	12.3
92.05848	0.3
95.85358	0.2
111.04430	9.3
119.04931	28.5
120.05300	0.8
147.04395	100.0
148.04732	1.4
257.08087	2.5
390.10013	0.3
439.13956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.4
63.22934	0.2
65.03933	1.4
69.53979	1.7
69.54397	0.3
73.26871	0.2
76.61700	0.3
79.34591	0.2
83.04986	0.5
88.65575	0.3
91.05478	13.9
104.98949	0.2
111.04436	7.2
111.05201	0.4
119.04935	28.5
120.05248	0.5
147.04401	100.0
148.04724	2.1
186.84691	0.3
257.08020	1.3
316.47180	0.3
439.13840	0.6
454.46344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
65.03932	1.6
69.03376	0.3
70.83685	0.3
70.84026	0.6
83.04958	0.7
85.00309	0.3
91.05473	14.4
111.04439	8.8
118.85853	0.3
119.04930	28.6
120.05303	0.7
141.43652	0.2
147.04393	100.0
148.04745	1.7
193.63863	0.3
257.08060	1.7
394.12201	0.3
425.15451	0.3
439.13916	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.4
62.84524	0.2
65.03925	1.5
65.62337	0.2
71.24799	0.5
83.04977	1.0
91.05474	17.1
92.05803	0.4
100.44650	0.2
111.04431	8.8
111.82854	0.3
115.45239	0.3
119.04932	32.0
120.05228	0.3
125.21677	0.3
128.54576	0.2
147.04396	100.0
148.04701	1.2
201.01613	0.3
210.25182	0.2
257.08124	2.0
328.27945	0.2
439.13815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.0
55.01863	4.7
57.03431	1.1
61.02922	1.8
61.55530	1.1
65.03921	3.7
67.05494	4.7
68.99789	1.2
69.03421	2.5
69.17144	7.8
69.17574	4.0
70.06571	3.0
71.04987	1.2
77.03899	1.1
77.64379	1.1
79.05481	2.6
81.03416	2.8
81.07057	1.4
83.04961	1.3
85.02888	3.2
91.05461	5.0
93.03409	1.0
93.07030	1.4
95.04959	67.1
97.02871	2.2
105.03354	1.1
105.04487	5.3
105.07016	1.4
107.04961	6.5
108.02061	2.7
109.06557	1.2
111.04459	2.5
119.04939	2.5
120.08072	1.1
121.06511	2.0
121.10155	1.3
123.04419	83.0
123.13517	1.0
124.04779	2.2
125.02311	1.9
125.05956	2.5
127.03906	3.5
128.10735	1.4
131.04897	2.2
133.02872	1.9
135.04416	3.1
137.02299	1.5
137.05978	3.9
139.03876	1.7
140.04663	25.0
141.05464	1.8
147.04364	4.2
149.05978	3.9
150.06862	1.0
151.03900	33.8
151.05016	2.9
151.07515	2.6
153.01811	5.1
153.05420	2.3
155.07021	43.8
163.03897	4.3
165.05467	4.7
167.07010	21.4
173.08165	1.3
175.07529	1.4
177.05444	6.7
178.06215	6.3
179.07047	4.2
181.05006	1.8
182.05823	1.4
183.06517	100.0
184.06888	1.9
193.04933	2.8
195.06557	7.9
196.07321	3.4
197.08107	1.3
203.03430	1.2
225.07558	14.5
226.40527	1.1
227.09117	1.1
241.05031	1.7
245.04346	1.2
248.98903	1.1
257.04526	1.2
287.05450	3.9
293.09909	1.5
297.03976	1.8
299.05472	2.4
323.05258	1.2
329.10321	1.5
351.04895	3.8
373.81696	1.3
379.04395	2.1
393.06195	1.3
421.05365	7.0
439.06796	7.1
439.15707	84.5
440.15933	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.1
53.03945	5.8
55.01847	2.7
61.02913	1.9
65.03937	3.6
67.05499	5.0
68.99758	1.4
69.03389	1.2
70.06556	2.0
71.01311	0.9
71.04963	0.9
71.52245	1.0
73.02887	1.6
77.03928	1.2
79.05460	3.2
81.03399	2.3
81.07051	1.8
83.04958	0.7
85.02885	2.4
91.05464	3.3
93.03400	1.1
93.07046	1.0
95.04962	71.5
95.08584	0.9
105.04494	3.7
105.07000	0.9
107.04935	4.9
108.02065	1.8
109.02869	1.0
111.04427	2.1
111.05512	0.9
118.04205	1.1
119.04908	2.3
121.02901	1.0
121.06470	1.2
123.04418	82.9
125.02303	1.7
125.05917	1.4
126.05419	0.9
127.03879	3.1
131.04922	1.2
133.02844	1.7
135.04414	3.0
137.05939	3.4
139.03851	1.6
139.07530	1.1
140.03586	1.7
140.04666	25.1
141.05408	1.9
147.04358	3.4
147.99490	0.7
149.05965	2.9
150.03052	0.8
150.06671	0.8
151.03897	29.2
151.04977	1.8
151.07547	1.5
153.01785	4.4
153.05461	4.0
155.07019	43.2
156.07411	0.8
161.05977	1.4
163.03906	3.1
165.05490	4.4
167.07027	20.5
177.05450	4.8
178.06223	4.1
179.06963	3.6
181.04933	0.7
182.05594	0.8
183.06517	100.0
184.06796	1.1
187.03951	1.1
193.04939	1.9
195.06526	7.2
196.07225	1.6
207.06577	1.0
209.08102	1.6
225.07533	12.1
241.05038	1.1
243.08716	0.9
247.05959	0.9
271.05991	1.2
285.03757	0.9
287.05518	2.4
290.15991	1.5
293.09985	1.5
297.04257	1.3
297.07510	1.2
299.05649	0.9
311.05719	1.2
311.09439	0.7
313.03619	0.9
313.50351	0.8
329.10278	2.1
351.05057	1.5
379.04263	1.2
421.05457	3.5
439.06268	2.8
439.15787	42.2
440.15964	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01850	1.3
55.05501	13.3
57.03423	7.5
57.07059	1.3
59.04989	4.3
65.03912	2.7
67.05496	100.0
69.03421	4.3
69.07061	7.4
69.69856	0.8
70.44328	3.2
71.04972	5.2
74.19039	0.8
75.59988	0.7
79.05484	11.4
80.61750	0.7
81.03408	33.7
81.07045	28.2
83.04975	6.1
83.08149	1.1
83.08608	16.7
85.02894	18.7
85.06529	2.5
91.05469	20.9
92.05798	0.8
93.07033	12.2
95.04368	1.0
95.04958	12.9
95.08055	1.2
95.08594	12.7
97.02865	2.1
97.06510	2.7
97.10155	2.3
99.08070	1.4
103.05452	1.0
105.07021	13.5
107.04913	2.6
107.08585	8.3
109.02850	0.9
109.06484	2.5
109.10141	70.3
110.10507	1.2
111.04414	3.3
111.08071	9.5
113.05970	2.2
117.07056	1.7
119.04916	3.3
119.08569	15.2
121.10126	5.9
123.04433	1.3
123.08047	1.9
123.11681	3.1
125.09618	1.4
127.03857	1.4
129.06940	5.2
131.08543	5.1
133.06474	1.4
133.10130	5.6
135.11662	1.6
137.05942	0.8
137.09589	3.1
137.13202	1.1
142.07776	1.2
145.10103	2.4
147.04373	7.8
147.07939	1.0
147.11684	6.9
149.09561	3.9
151.07513	0.9
155.10635	2.8
157.10106	7.4
165.09113	1.4
165.12744	1.8
173.11723	20.8
175.11157	6.7
177.16330	0.9
193.12222	37.2
211.13260	40.6
223.51001	0.7
229.14262	2.3
229.40250	0.8
267.15903	1.4
305.24423	0.9
403.27957	1.1
439.26846	61.9
440.27402	1.9
446.93610	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39212	1.0
53.03933	3.2
55.01876	1.8
55.05272	1.3
55.05507	14.4
56.29846	1.1
56.46883	1.1
57.03432	5.7
57.07077	1.4
59.04982	4.3
65.03914	2.4
67.05498	100.0
69.03414	3.0
69.07047	4.8
71.04988	5.4
71.52420	1.9
79.05490	16.9
81.03410	30.8
81.06588	1.7
81.07050	26.7
83.04956	5.4
83.08608	14.4
83.22863	1.1
85.02895	17.3
85.06521	3.9
91.05472	30.7
93.07037	13.3
95.04976	12.2
95.08604	13.2
97.02873	2.8
97.06497	2.5
97.10152	2.3
98.97594	1.7
99.08083	2.2
105.07027	12.3
106.99754	1.0
107.04961	2.3
107.08566	8.3
109.06495	3.2
109.10145	66.7
111.04405	3.1
111.08073	9.9
113.06010	2.2
119.04926	10.1
119.08575	15.7
121.10117	6.6
123.11665	2.6
125.09634	1.4
129.06982	4.4
131.00153	1.2
131.08540	4.6
133.06490	1.4
133.10101	5.1
137.09586	3.7
142.95618	1.4
145.10048	1.3
147.04402	32.5
147.08080	1.6
147.11641	8.3
148.04744	1.8
148.67365	1.2
149.09598	4.3
151.07472	1.1
155.10638	2.6
157.10130	8.2
165.05466	1.6
165.12758	2.2
173.11710	19.0
175.11209	7.1
189.11229	1.5
191.00357	1.1
193.10437	1.5
193.12215	28.0
193.13861	1.9
211.13263	34.5
229.14351	2.7
244.10680	1.1
248.08124	1.2
249.14835	1.9
267.15878	3.3
277.13800	1.4
284.08954	1.2
329.21402	1.2
358.16418	9.5
358.66638	3.4
421.25485	1.9
439.19388	4.4
439.26822	51.6
440.27362	2.5
446.74713	1.3
449.95868	1.2
456.56705	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89855	0.2
52.96275	0.2
55.01869	2.0
55.05494	0.5
60.01621	0.2
64.76966	0.2
67.05485	0.5
69.03426	0.3
69.07064	1.3
69.53397	1.8
79.05470	0.6
79.68085	0.2
81.03410	0.3
81.07038	0.7
83.04896	0.2
85.02888	0.5
85.06520	0.3
86.64390	0.2
91.05452	0.2
91.47810	0.2
93.07011	0.6
94.06533	0.4
95.04946	0.3
95.08580	0.6
97.06518	0.3
97.10119	0.5
99.08050	0.2
105.07027	0.3
107.04960	0.4
107.08573	0.7
108.04472	0.6
110.10442	0.3
111.04390	0.3
111.60247	0.2
112.07593	0.2
118.29652	0.2
119.08517	0.2
120.08050	0.3
121.10117	0.3
122.05982	0.3
123.04394	0.9
123.08085	0.3
131.56810	0.2
133.06479	0.3
133.10123	0.3
135.04362	0.4
139.03845	0.4
140.07045	2.4
146.06110	0.4
147.04419	0.3
147.06801	0.4
148.07549	2.7
148.22929	0.2
160.07585	0.4
161.05933	0.3
167.07042	0.8
168.06551	2.7
170.09613	0.4
174.05455	0.6
174.09160	0.3
179.06993	0.3
182.46404	0.3
186.09035	0.3
187.08734	0.3
198.09070	0.8
199.08620	3.2
199.12381	0.3
203.09448	0.3
210.09213	0.4
211.10286	0.4
212.09424	0.6
213.10222	0.9
214.10954	0.7
215.11821	1.0
224.10385	0.3
225.10178	3.7
226.08586	0.8
227.08151	1.5
227.11714	1.7
241.09779	0.8
241.13292	0.5
242.10605	0.9
243.11298	1.4
252.10126	0.7
254.10538	0.3
255.11256	14.7
256.11621	0.3
269.12860	3.6
287.13873	0.6
297.12314	5.8
309.08182	0.3
315.13342	100.0
316.13660	3.4
440.22638	1.4
441.24625	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	440.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89855	0.2
52.96275	0.2
55.01869	2.0
55.05494	0.5
60.01621	0.2
64.76966	0.2
67.05485	0.5
69.03426	0.3
69.07064	1.3
69.53397	1.8
79.05470	0.6
79.68085	0.2
81.03410	0.3
81.07038	0.7
83.04896	0.2
85.02888	0.5
85.06520	0.3
86.64390	0.2
91.05452	0.2
91.47810	0.2
93.07011	0.6
94.06533	0.4
95.04946	0.3
95.08580	0.6
97.06518	0.3
97.10119	0.5
99.08050	0.2
105.07027	0.3
107.04960	0.4
107.08573	0.7
108.04472	0.6
110.10442	0.3
111.04390	0.3
111.60247	0.2
112.07593	0.2
118.29652	0.2
119.08517	0.2
120.08050	0.3
121.10117	0.3
122.05982	0.3
123.04394	0.9
123.08085	0.3
131.56810	0.2
133.06479	0.3
133.10123	0.3
135.04362	0.4
139.03845	0.4
140.07045	2.4
146.06110	0.4
147.04419	0.3
147.06801	0.4
148.07549	2.7
148.22929	0.2
160.07585	0.4
161.05933	0.3
167.07042	0.8
168.06551	2.7
170.09613	0.4
174.05455	0.6
174.09160	0.3
179.06993	0.3
182.46404	0.3
186.09035	0.3
187.08734	0.3
198.09070	0.8
199.08620	3.2
199.12381	0.3
203.09448	0.3
210.09213	0.4
211.10286	0.4
212.09424	0.6
213.10222	0.9
214.10954	0.7
215.11821	1.0
224.10385	0.3
225.10178	3.7
226.08586	0.8
227.08151	1.5
227.11714	1.7
241.09779	0.8
241.13292	0.5
242.10605	0.9
243.11298	1.4
252.10126	0.7
254.10538	0.3
255.11256	14.7
256.11621	0.3
269.12860	3.6
287.13873	0.6
297.12314	5.8
309.08182	0.3
315.13342	100.0
316.13660	3.4
440.22638	1.4
441.24625	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	440.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77077	4.2
51.85565	4.5
53.03937	5.5
55.01855	5.0
55.04823	4.2
55.05490	7.0
65.03923	9.2
67.05486	17.7
69.03410	9.0
69.07053	17.9
71.52886	4.8
72.04880	4.2
72.78730	5.2
79.05485	17.6
81.03413	8.3
81.07047	35.3
84.01057	4.8
89.03915	4.9
91.05476	17.0
93.03322	5.0
93.07034	18.8
93.26471	4.8
95.01312	7.5
95.04939	8.4
95.08585	15.5
96.08919	6.9
103.05478	5.5
105.07013	16.9
107.04942	20.6
107.08582	14.2
108.05773	7.3
109.02894	7.8
109.10141	19.8
110.03674	24.2
111.04430	23.7
119.08591	9.6
121.06476	9.9
121.10122	9.1
122.10539	5.2
123.04436	42.9
123.11730	5.8
125.05997	51.8
129.06950	7.6
135.04395	55.8
135.08038	10.8
135.11673	8.8
137.05988	8.9
139.03926	37.5
139.07526	18.1
147.04396	19.0
148.04759	5.9
151.03915	11.4
151.06416	8.2
151.07524	91.3
152.04599	4.8
153.05441	100.0
161.05974	7.5
162.57390	4.8
163.03886	30.6
163.07533	14.8
165.09102	17.1
167.07045	21.6
177.05424	9.5
189.05545	5.8
191.06938	6.9
193.08609	13.9
195.10165	30.6
203.06998	9.4
220.88120	4.7
231.23067	5.1
245.08049	5.2
271.06030	13.0
271.13324	8.4
273.07501	14.4
273.14825	5.8
287.12787	6.2
291.15933	11.9
301.07339	5.2
327.08209	4.7
423.17929	7.1
440.23346	19.6
441.19360	8.4
441.24548	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	440.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56686	3.6
51.67497	3.0
53.03925	3.5
53.66599	3.4
53.98746	3.4
55.01865	4.0
55.05512	7.4
60.23937	3.5
64.35153	4.2
64.44437	3.3
67.05488	14.3
69.03429	4.9
69.07087	8.0
70.04302	13.5
70.04706	7.9
79.01803	3.7
79.05503	10.5
80.66183	4.0
81.03422	10.0
81.07061	14.5
83.08630	6.4
85.70396	3.7
91.05472	12.3
93.07033	15.2
95.01314	7.4
95.04994	6.1
95.08608	10.4
97.02911	3.5
100.51279	3.6
105.06994	14.7
107.04942	12.0
107.08583	8.5
107.27273	3.9
108.05738	6.5
109.06558	4.3
109.10158	8.5
110.03670	24.2
110.10482	4.6
111.04411	8.2
117.07019	3.6
119.08551	4.4
121.06489	6.9
121.10123	5.8
123.04425	20.8
123.11642	4.8
123.89309	3.4
124.05260	4.0
125.05985	48.3
133.06473	3.7
135.04388	25.0
135.08009	20.1
135.11684	8.1
137.05977	5.8
138.06729	5.3
139.03880	12.7
139.07536	16.3
147.04422	10.4
149.09644	5.0
149.13171	3.5
151.03865	6.1
151.07527	100.0
151.08678	7.5
153.05452	99.8
154.06064	4.9
159.11710	3.8
163.03917	14.8
163.07513	14.5
165.05421	7.2
165.09096	11.3
167.07013	16.7
168.32616	3.9
173.05927	4.3
177.05568	4.6
191.07048	4.5
192.07611	4.0
193.08572	10.0
195.10158	22.0
203.18286	3.8
205.08684	4.0
205.78271	3.7
217.08577	7.2
236.07866	4.2
271.13235	4.3
273.07617	6.5
273.14807	4.3
287.12610	6.4
291.15967	10.7
365.34842	3.6
423.18341	3.7
440.23187	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	441.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23791	2.0
56.96559	15.3
63.98138	1.8
69.53001	1.7
70.31718	7.8
84.96022	7.8
85.02880	1.6
97.02849	2.0
98.91953	2.0
98.97573	99.0
101.00884	5.0
110.97554	28.3
110.98248	2.9
116.98617	46.2
119.01862	5.0
127.03908	2.8
128.98579	32.0
133.03485	2.3
134.99640	14.6
135.03215	1.8
140.98578	7.0
143.00157	14.8
145.03450	2.6
146.99600	19.3
152.98558	4.2
154.83958	1.7
155.01920	2.4
158.99632	32.3
161.01207	12.1
161.02812	2.3
170.99649	24.3
173.01302	2.6
173.02953	3.5
175.04488	2.6
177.00682	36.6
181.05579	3.1
182.99654	13.8
189.00713	30.3
190.52449	2.7
195.01746	3.2
195.83659	2.0
197.02670	2.0
201.00681	55.3
205.05589	5.6
207.01775	6.4
213.00687	6.0
214.79788	2.5
217.05576	7.5
219.01744	54.4
219.07217	2.9
221.04948	1.8
231.01738	6.4
232.53528	4.0
233.03552	4.2
236.56807	1.9
237.02740	21.6
242.03307	2.7
243.01738	22.5
245.05067	4.5
249.02794	2.2
261.02777	100.0
262.03146	2.1
264.05002	1.8
273.02725	10.7
279.03839	73.0
280.04041	2.0
289.29776	1.8
291.03793	22.0
297.04956	3.6
302.05438	2.4
307.08701	23.9
309.05252	2.1
321.04886	50.3
325.09729	2.9
333.04889	5.9
351.05899	9.6
378.75940	1.9
381.07104	4.4
381.12170	2.9
399.07883	7.8
441.09552	30.1
441.15094	4.4
442.10742	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2383
Annotation	Alalakine
Peak:m/z	Relative Intensity
50.18862	2.6
63.93852	2.3
64.99219	2.4
71.46452	3.9
71.46793	5.1
76.52630	2.8
79.05450	3.3
81.07043	2.8
87.67638	2.5
91.05458	4.5
105.07027	6.6
107.04951	3.9
114.41399	3.0
119.08500	2.9
121.06513	11.9
135.08038	13.2
137.05981	4.7
138.06764	4.8
146.06050	5.1
146.07291	8.8
151.07527	13.8
161.08351	9.5
162.05537	4.3
162.06754	3.9
162.09099	3.3
163.07536	19.9
164.08319	8.5
176.07063	15.4
177.06509	5.4
177.09123	10.0
177.59859	2.8
179.09322	3.7
179.10704	5.1
194.11763	25.6
195.10179	24.9
219.11504	3.6
220.13301	4.7
247.14380	60.5
325.12183	3.1
341.14868	8.4
344.87384	3.2
352.15375	3.8
355.16464	39.4
370.18762	13.7
417.26907	3.1
423.22809	19.4
424.56824	3.2
441.23816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2457
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
51.30599	0.3
52.16392	0.4
52.85762	0.3
57.45315	0.3
67.05481	0.4
71.53214	0.5
79.05469	0.5
81.07036	1.1
85.02891	0.5
85.46510	0.4
86.65296	0.3
87.56886	0.3
91.05486	0.8
93.07053	0.7
95.04939	0.5
95.08611	1.0
99.08071	0.4
107.08585	1.0
108.22968	0.3
109.02880	0.4
109.06438	0.3
109.10095	0.4
119.04934	0.4
119.08548	0.6
121.10134	0.5
123.04420	1.6
135.11613	0.5
139.03894	0.6
147.04384	0.9
151.03888	0.8
163.03917	0.9
165.05519	0.6
165.09065	0.7
177.05388	0.4
191.06961	0.5
203.05243	5.8
203.07080	0.6
261.18231	2.0
271.13232	0.6
279.19202	0.6
293.12201	0.4
441.24570	100.0
442.24777	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	442.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.01870	6.6
57.03426	15.8
58.25688	1.1
59.04987	1.9
61.02927	14.3
65.52679	1.3
69.03423	36.8
69.07050	1.5
69.42230	10.5
71.01347	3.6
71.04985	2.1
73.02912	70.3
79.05476	2.1
81.03417	6.8
81.07029	2.3
85.02898	100.0
87.04449	4.0
87.36327	1.2
91.03947	2.6
91.05450	1.6
93.07066	1.5
95.08600	1.9
97.02885	54.3
98.20753	2.4
99.04436	5.1
107.08569	2.6
109.02855	9.8
111.04469	1.4
115.03924	25.2
123.04420	7.1
127.03915	29.6
133.04950	35.3
133.10138	1.6
134.05386	1.3
145.04944	48.5
147.04364	2.2
151.03934	2.1
163.03857	2.4
163.06012	20.9
163.07257	2.5
167.06985	2.4
177.05414	1.9
184.79633	1.3
223.05974	3.8
241.07111	6.8
259.08054	5.3
291.15720	1.6
442.25272	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.4
54.98482	0.9
55.01867	7.1
55.46828	0.9
57.03435	13.0
57.07076	1.6
59.05006	1.4
61.02919	12.7
68.84459	0.9
69.03424	30.2
71.01337	4.3
71.04988	2.2
71.08617	1.3
71.11581	2.4
73.02911	62.0
79.05481	1.5
79.98032	1.1
81.03407	10.3
81.07036	1.5
85.02897	100.0
87.00821	2.2
87.04460	3.4
91.03950	3.5
91.05487	1.6
93.07040	1.9
95.04942	1.1
97.02885	49.1
99.04407	4.9
103.03954	3.2
105.07008	1.7
107.04951	4.5
107.08569	2.0
109.02869	9.9
115.03921	22.2
123.04444	3.8
127.03912	32.2
131.94801	1.1
133.04956	25.9
133.10100	1.1
135.08026	1.6
145.04942	44.0
150.07574	1.6
151.03899	2.2
163.06012	19.1
163.07497	3.4
167.07027	18.8
175.07500	1.4
179.06975	1.3
181.05051	1.6
187.07542	2.1
193.04962	2.1
195.10179	5.4
205.08615	1.5
207.10052	1.9
212.11436	1.1
223.05963	3.1
227.36781	1.0
241.06995	3.9
247.83861	1.2
254.84166	1.3
259.08096	5.2
293.19565	1.6
303.11923	1.1
316.13556	1.5
317.13904	4.1
442.24915	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	442.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01862	7.5
57.03431	15.7
59.04985	1.5
60.71517	1.0
61.02920	14.2
67.05488	1.6
69.03421	30.7
69.33866	1.2
69.34172	11.2
71.00948	1.0
71.01336	4.2
71.04988	1.4
73.02908	69.1
81.03412	5.8
81.07047	1.9
85.02894	100.0
87.04459	4.8
91.03948	4.6
95.08592	1.2
97.02879	54.0
98.20757	1.7
99.04415	4.6
101.02344	1.6
103.03932	3.6
107.08590	1.3
109.02871	8.4
109.10099	1.1
115.03910	26.9
118.90968	1.2
119.04856	1.3
123.04408	3.0
125.25890	1.1
127.03897	31.9
133.04947	37.3
133.87340	1.1
135.04501	1.6
139.03918	1.7
139.54221	1.1
142.95186	1.2
144.00621	1.3
145.04941	54.4
147.04425	1.7
150.07661	2.4
151.03938	1.5
159.48129	1.2
163.03870	1.5
163.05994	18.3
165.05516	1.4
167.07045	1.7
177.05478	1.7
181.04901	1.3
187.06038	1.2
193.04929	2.3
223.05954	6.9
227.16360	1.7
241.07031	6.6
259.08115	6.0
277.09207	2.3
442.19305	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01864	5.7
55.05500	1.3
55.58992	0.7
57.02398	0.8
57.03421	2.7
61.02915	4.3
65.03931	1.1
67.05479	2.9
68.99773	1.6
69.03424	15.4
69.07043	1.4
71.01315	0.8
71.04978	2.7
71.52268	1.0
73.02902	7.7
78.04711	3.1
79.05490	6.1
80.22631	0.8
81.03407	13.2
81.07053	3.9
82.26073	0.9
83.04969	1.4
85.02892	37.3
86.03239	1.7
87.00822	11.6
91.03909	1.3
91.05470	6.9
93.07021	4.6
95.04946	2.9
95.08591	2.1
97.02885	19.6
97.06507	1.6
99.04419	4.8
103.03931	2.1
103.05457	1.2
105.01859	7.7
105.07009	4.9
106.04176	1.6
107.04939	23.1
107.08588	2.6
109.02873	11.7
109.06533	1.7
109.10138	1.5
115.03927	2.4
115.05416	4.6
117.01831	2.1
117.06998	3.3
119.04926	1.4
119.08590	2.6
121.06472	1.6
121.10076	1.0
123.04410	7.6
124.05201	2.9
127.03904	19.9
128.06244	1.3
129.01810	0.9
129.06981	4.5
131.04932	1.0
131.08574	5.0
132.05699	2.4
133.06442	1.1
133.10112	1.1
135.04442	1.6
135.08058	6.6
137.05971	1.7
141.06941	1.7
143.04933	1.5
143.08517	1.4
144.05684	2.3
145.04932	8.4
145.06470	3.2
145.10100	1.3
147.02753	1.0
147.04411	1.8
147.08029	3.2
149.05957	1.3
151.03886	2.5
151.07489	1.9
152.04622	1.9
155.81468	0.8
157.06517	2.1
158.07150	1.1
159.02876	6.6
159.08043	6.0
160.05142	1.0
161.05994	1.2
163.03891	1.0
163.06157	1.8
163.07523	21.1
165.05475	2.7
167.07016	100.0
168.07373	1.5
171.11722	0.9
173.05969	1.4
175.07494	7.0
177.09132	1.1
179.07138	1.0
181.04930	2.9
187.07503	11.4
188.08151	1.0
189.03973	1.2
189.05507	1.1
189.09097	1.9
190.06253	1.5
191.07039	1.3
192.07663	1.5
193.08600	1.4
195.10149	32.9
196.10408	1.0
197.09576	1.0
199.07515	1.1
201.09148	1.5
203.06987	1.7
204.07831	1.9
205.08546	6.6
206.09254	1.1
207.10138	16.2
207.13612	0.8
207.55167	0.9
211.07573	1.0
215.10635	0.9
217.08508	2.0
219.10123	5.0
221.11693	3.1
225.09206	2.1
231.05051	1.4
231.10143	2.7
233.08063	1.4
233.11581	1.1
235.09651	2.5
237.11258	3.1
239.03088	1.0
243.10199	1.6
247.09689	1.7
249.11194	2.3
253.08635	1.5
257.11694	1.6
261.11407	1.3
261.14838	1.0
275.12631	1.8
285.11212	3.2
303.09140	1.1
303.12289	4.9
321.13275	2.0
349.66791	0.8
443.16571	1.2
443.25534	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03465	3.5
55.04241	4.5
60.02449	0.6
61.02886	0.8
69.03429	1.7
70.02957	0.7
71.04966	1.0
71.23563	1.4
71.23906	1.3
79.05482	0.7
79.76466	0.8
80.05009	1.2
81.03392	0.8
81.04531	21.4
82.04913	0.9
82.05316	9.1
83.56183	0.8
85.02899	4.1
87.04463	0.8
97.02848	1.4
108.05578	1.3
109.02889	0.7
110.07130	0.9
115.85864	0.7
121.01528	0.7
122.07135	100.0
123.04397	1.6
123.07918	93.8
124.08263	1.3
137.05957	1.8
139.03888	1.6
142.03246	0.7
144.04788	1.6
160.04266	2.1
163.03891	1.0
165.07674	3.7
172.04221	1.5
173.78745	0.8
212.77505	0.7
281.10651	57.9
282.10834	2.0
383.11896	1.4
385.80753	1.0
401.12842	0.8
443.15906	73.0
444.16159	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	443.3516
Annotation	Topsentisterol B1
Peak:m/z	Relative Intensity
53.03936	3.9
55.01860	2.0
55.05505	12.7
57.07070	16.0
60.12589	1.2
67.05499	12.2
69.03442	1.4
69.07065	27.1
69.80446	6.0
69.80862	1.6
71.04985	1.4
71.08622	15.4
73.16338	1.4
79.05485	7.3
81.03416	3.0
81.07047	30.5
83.08615	9.3
85.10162	11.8
88.34962	1.2
89.63762	1.3
91.05469	11.6
93.07030	17.4
95.04940	1.7
95.08599	25.3
97.06516	1.3
97.10157	11.6
98.20837	1.9
101.80127	1.2
105.07028	22.3
107.04935	6.2
107.08577	17.8
109.02865	2.0
109.06502	6.3
109.10142	14.4
111.08075	1.5
111.11703	3.7
113.00307	1.2
115.65070	1.2
117.07017	4.7
119.08560	16.5
121.06527	4.8
121.10122	11.2
123.08118	1.5
123.11718	6.4
128.06239	3.2
129.06976	6.9
130.07751	1.5
131.08549	15.3
133.06496	3.3
133.10132	15.8
135.08015	2.2
135.11682	8.3
137.05948	2.5
137.13280	2.2
142.07841	2.0
143.08562	18.0
144.09311	1.6
145.06400	1.7
145.10100	15.9
147.08076	6.7
147.11688	10.8
149.09544	2.2
149.13249	3.4
151.07585	2.1
151.14824	1.8
155.08575	4.7
157.10098	11.2
159.11693	11.4
161.09645	7.0
161.13240	10.0
163.14818	2.8
165.09093	1.4
168.09235	1.2
169.10129	5.5
171.08026	5.8
171.11659	7.2
173.09622	2.1
173.13263	5.8
175.11253	1.3
175.14900	2.4
178.87912	1.2
183.11644	8.7
185.09601	1.5
185.13264	9.4
187.11221	1.7
187.14824	5.3
189.09070	20.2
189.12738	1.4
189.16405	2.2
191.10645	3.7
197.13284	4.9
199.14864	4.5
201.12755	2.3
201.16356	4.7
203.10719	2.6
203.14253	1.4
203.17894	1.5
205.12250	1.9
207.10156	4.2
211.11168	1.8
211.14806	3.3
213.16307	3.4
215.10777	1.7
215.17987	1.8
217.12181	3.3
219.13821	1.4
221.22635	2.4
225.12773	1.5
225.16312	2.6
227.18037	1.9
229.12273	2.8
233.22577	1.8
243.13835	3.8
243.20895	1.4
247.13235	8.1
257.15405	2.6
257.18921	1.3
261.14828	1.4
267.17532	2.0
271.16940	4.1
273.25800	2.4
285.18509	5.4
285.25705	1.9
289.18118	1.9
301.28845	8.7
303.19675	1.8
313.21750	1.4
327.23160	2.4
339.30502	5.1
341.24741	1.8
341.31989	5.8
343.29834	2.4
361.55008	1.3
365.31995	3.7
383.33105	5.8
397.34518	2.9
407.33179	3.7
411.08850	1.3
425.34100	23.3
426.34528	2.1
443.35184	100.0
444.35535	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	443.3516
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.06219	3.6
55.05510	27.0
57.03443	4.2
57.07047	6.8
57.09688	4.2
59.04981	4.5
61.64896	3.5
67.05504	46.0
69.07072	48.5
71.04982	11.3
71.12092	3.6
71.53168	5.5
79.05492	35.0
81.03413	4.5
81.07050	76.4
83.04950	6.3
83.08612	25.6
85.06526	9.2
91.05463	38.6
93.07037	57.2
95.04976	12.5
95.08601	100.0
97.06501	6.4
97.10162	9.4
99.08063	4.4
104.67445	4.1
105.07021	64.8
107.04945	5.4
107.08582	58.6
109.02955	3.5
109.06524	11.8
109.10139	46.5
111.08050	10.8
111.11707	7.7
113.09608	8.0
117.07053	20.2
119.08571	61.4
121.06522	5.5
121.10139	41.7
123.04407	4.1
123.08062	13.7
123.11693	27.6
125.09652	7.0
127.11172	8.1
129.07007	24.7
131.08548	39.0
133.10121	51.3
135.08009	5.7
135.11655	28.9
137.06079	4.3
137.09581	7.9
137.13249	20.1
139.07613	4.0
139.11052	6.1
141.06958	8.1
142.07759	6.4
143.08562	28.6
144.09343	5.8
145.06505	5.8
145.10118	47.3
147.08061	4.5
147.11673	45.0
149.09599	6.0
149.13269	22.2
151.07512	18.7
151.11179	9.9
151.14740	5.0
153.12711	7.6
155.08574	17.6
155.14304	76.9
156.09300	3.9
157.10115	30.6
159.11671	56.4
160.08733	3.7
161.09637	4.6
161.13245	36.3
163.11205	6.5
163.14761	7.7
165.05492	4.8
165.09114	29.9
165.12721	5.6
167.07085	7.2
169.10095	15.6
171.11740	22.3
173.09668	5.0
173.13210	32.7
175.11211	7.7
175.14833	13.3
177.12718	10.0
181.10133	4.7
183.11662	11.6
185.09636	4.6
185.13289	19.1
187.14809	10.9
189.09088	4.4
189.12764	9.7
189.16335	4.9
191.10706	10.5
191.14346	8.1
195.11682	8.6
197.13281	22.2
198.14075	5.3
199.14786	15.2
201.12807	5.0
201.16331	8.9
203.14291	5.5
205.12274	6.0
209.13271	6.5
211.14731	24.7
213.12910	5.7
213.16341	16.4
215.18021	5.2
217.15999	4.5
217.19502	5.9
223.14767	8.9
225.16267	5.8
227.10638	4.9
227.17899	13.8
229.15883	7.0
233.08199	4.9
237.16299	7.1
239.17918	12.2
241.19586	7.1
251.18044	5.7
253.19489	15.2
255.20978	9.4
257.18860	4.2
267.21097	5.0
267.46899	4.1
271.17355	4.6
271.20563	10.9
307.24069	5.0
333.22012	5.5
351.23093	13.9
365.32056	10.3
367.29916	11.3
369.24072	8.4
383.32925	9.0
389.31879	4.2
395.33121	11.5
407.33051	81.3
408.33188	5.1
425.34219	70.4
425.39606	2.9
426.34525	8.2
443.28708	29.6
443.35110	37.5
444.35403	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	445.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	28.3
64.06474	2.5
69.03407	10.4
73.02885	4.3
73.04758	25.1
78.57264	2.8
81.03398	4.8
83.04964	4.8
84.96010	4.0
85.02908	14.2
91.03976	3.6
91.05793	100.0
97.02894	6.5
97.96807	5.6
98.97574	60.7
103.02609	2.6
107.58875	2.6
109.02846	3.1
110.97535	13.1
111.04426	4.0
116.98602	38.8
123.04372	4.6
127.03908	7.6
128.98607	19.4
130.08640	2.8
130.94604	2.6
131.00121	5.6
134.99629	21.3
139.03902	4.2
143.00124	3.2
145.04907	3.0
146.86473	2.9
146.99632	25.1
149.04533	4.5
157.67876	2.7
158.99637	10.2
161.01172	6.7
163.03935	4.2
167.05528	36.7
167.06981	7.6
168.98538	2.8
170.99608	5.4
177.00705	11.4
177.05463	4.2
189.00725	4.3
191.03650	3.3
203.49342	3.3
204.43935	2.6
213.04756	2.8
219.01765	18.6
225.04250	15.1
227.02228	11.5
237.02782	49.9
242.00891	3.9
242.07239	20.8
243.01668	3.8
243.05276	5.5
256.02505	3.3
257.03247	2.7
260.02078	5.3
265.03827	12.2
268.02472	5.0
268.97690	3.5
278.02872	3.5
283.04828	9.2
285.06396	3.5
286.03696	3.9
295.04440	3.9
297.02756	3.5
301.05768	5.5
307.04895	12.0
311.04370	3.0
325.05875	24.7
327.07401	4.4
342.99683	9.5
359.02713	53.1
367.06915	10.5
427.11588	3.5
445.10919	64.8
462.30344	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	445.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
65.62988	6.0
70.05409	21.8
74.50219	4.9
85.02897	8.2
100.03136	4.6
109.88533	4.3
173.24734	5.1
232.81152	4.8
272.64822	4.6
445.11066	100.0
445.18008	10.6
446.11353	5.7
455.45343	4.6
468.07047	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	445.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
55.01860	3.5
55.05511	20.5
57.03410	3.3
57.07079	4.1
64.29621	2.3
65.03920	3.8
67.05503	50.3
69.07066	14.3
71.04995	2.7
71.52125	2.3
71.52616	2.7
73.04774	2.7
79.05019	2.6
79.05481	51.6
81.03409	3.4
81.07046	50.5
83.04962	5.9
83.08614	6.9
85.06546	2.9
91.05440	62.9
93.07040	41.5
95.04951	10.5
95.08599	33.7
97.06516	6.5
97.10176	3.2
99.08072	3.2
103.05486	4.4
105.06322	4.0
105.07024	62.3
105.07689	4.1
107.04956	5.0
107.08588	24.4
109.06524	6.0
109.10143	10.6
115.05407	3.6
117.07018	27.3
119.08572	30.4
121.06512	8.3
121.10146	15.6
123.08078	5.0
123.11645	2.7
125.09637	2.2
128.06252	4.8
129.06993	21.3
131.08554	47.9
133.06519	5.1
133.10130	20.9
135.08040	5.4
135.11699	5.4
137.09525	3.2
141.06964	7.8
142.39168	2.4
143.08542	20.7
145.06558	2.8
145.10112	25.9
146.07251	2.5
147.08031	5.6
147.11688	9.2
149.09598	4.3
150.06740	5.7
151.07509	7.5
151.11227	3.1
155.08546	8.1
156.09329	2.5
157.10078	16.3
159.08034	4.7
159.11734	11.6
161.06010	3.0
161.09471	2.9
161.13231	3.7
162.06706	4.1
163.11186	2.7
165.05473	2.8
165.09050	16.5
167.05542	4.8
167.08571	4.4
169.10139	8.2
171.11678	8.6
173.13205	6.4
181.10124	6.1
182.11021	2.2
183.11697	4.4
185.09509	2.7
185.13260	7.2
187.14760	2.6
193.08601	13.0
195.11691	4.1
197.13280	7.2
199.14798	5.7
209.13318	3.9
211.14847	3.4
212.02061	2.2
223.14948	4.4
229.15910	3.5
231.13722	2.4
233.15538	2.9
247.16904	5.6
261.18332	2.8
325.25262	3.6
335.23782	4.6
343.26437	4.4
353.24817	19.2
359.02829	7.9
371.25809	19.4
389.26648	18.7
427.28516	3.3
437.29437	2.2
445.29547	100.0
446.29855	4.7
469.90430	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.01869	4.0
55.05508	23.1
57.03415	4.2
61.72017	1.8
65.03918	3.1
67.05501	50.2
69.03431	3.0
69.07060	17.9
69.26271	15.8
69.26674	5.2
71.04962	2.5
73.04749	2.8
79.05484	43.0
81.03406	3.2
81.06584	3.4
81.07049	51.8
83.04966	2.2
83.08598	9.1
85.06516	4.7
89.66009	1.8
91.05438	57.0
93.06476	3.4
93.07035	43.8
95.04969	9.7
95.08586	24.9
97.06513	6.0
97.10165	4.8
97.73237	2.5
103.05434	2.6
105.04513	3.3
105.07024	53.9
107.04959	6.1
107.08587	20.4
109.06503	6.0
109.10128	8.9
115.05447	4.7
117.07001	24.6
119.08575	34.1
121.06507	4.9
121.10132	9.4
123.11680	2.1
125.09599	2.4
128.06178	5.1
129.07002	20.4
130.07794	2.4
131.08543	37.2
133.06509	3.8
133.10117	18.0
135.08051	5.9
135.11684	6.4
137.09615	3.8
139.11211	2.2
141.06966	5.6
141.96812	1.7
143.08533	20.4
145.06485	5.8
145.10123	24.6
147.08022	3.9
147.11655	9.0
149.09608	5.3
149.13232	4.5
151.07538	3.9
151.11122	3.0
155.08553	7.0
157.06438	2.5
157.10123	8.8
159.08041	2.4
159.11699	13.1
161.13211	4.3
165.05603	2.1
165.06937	2.2
165.09163	5.1
167.05614	2.3
167.08527	3.3
169.10049	10.4
171.11676	6.9
173.09651	2.8
173.13258	5.4
175.14825	4.3
177.12628	2.6
179.10655	2.2
181.10181	2.9
182.10774	2.2
183.11685	4.9
185.13229	6.7
187.14790	3.9
193.08519	2.3
195.11865	4.2
197.05911	1.8
197.13194	5.3
199.14771	4.0
201.12823	3.4
207.13899	2.1
209.13217	2.9
211.14931	2.3
213.16312	2.5
215.14244	1.8
222.11029	1.8
223.14883	3.6
225.16541	2.4
227.14250	3.3
247.16840	4.4
259.16885	2.6
273.18738	1.9
325.25381	3.0
333.24268	3.0
335.23889	6.1
343.26300	5.2
353.24805	20.0
359.02908	5.0
371.25821	19.1
389.26733	17.4
427.28516	5.4
445.29474	100.0
446.29565	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
54.23789	1.1
55.01862	4.2
55.05510	19.8
57.03427	3.1
65.03927	4.4
67.05499	48.9
69.03425	1.7
69.07064	18.0
69.59274	2.0
69.59681	4.7
71.04967	3.1
74.00861	1.2
77.03915	1.1
79.05486	44.6
81.03396	1.2
81.07051	45.6
83.04966	3.5
83.08625	9.2
85.06547	2.8
91.05459	58.9
93.07035	42.2
93.07639	1.8
95.04960	8.3
95.08603	26.3
97.06512	4.7
97.10149	4.4
99.08104	1.9
103.05440	2.8
105.04524	1.6
105.07025	59.8
107.04943	5.9
107.08590	22.2
109.06511	4.3
109.10138	10.0
111.08083	2.3
111.38509	1.0
115.05448	4.5
115.72636	1.0
117.07007	31.6
119.04945	1.0
119.08578	33.3
121.06504	5.9
121.10131	14.0
123.08055	3.1
123.11691	1.4
128.06192	4.8
129.06990	18.6
130.07796	1.4
131.04863	1.3
131.08556	43.6
133.06464	2.5
133.10126	18.7
135.08032	3.0
135.11679	4.5
137.09596	2.1
141.06987	5.1
142.07758	3.8
143.08554	20.9
145.06488	3.0
145.10126	24.7
147.08012	4.4
147.11681	6.8
149.09630	3.8
149.13222	2.0
151.11230	1.3
155.08524	10.0
157.10110	13.2
158.10988	1.0
159.08058	1.8
159.11661	9.9
161.09613	2.8
161.13223	2.9
163.11234	1.5
165.05527	1.1
165.07014	1.7
165.09055	1.7
167.05569	2.2
167.08540	3.5
169.10094	7.0
171.08096	2.0
171.11655	8.0
173.09599	2.0
173.11844	1.8
173.13199	5.7
175.11200	1.6
181.10129	5.0
183.11636	6.9
185.13281	5.2
187.11096	2.0
187.14854	3.4
189.12749	1.4
192.24269	1.2
195.11699	4.8
196.43385	1.1
197.13232	5.0
199.11148	1.4
199.14828	3.2
201.12752	1.6
209.13254	4.7
209.52507	1.1
211.14847	4.5
213.12755	1.4
213.16351	1.5
215.14314	2.5
217.15958	1.1
223.14832	3.8
225.16367	2.8
227.14284	2.1
229.15915	2.5
233.15657	1.1
235.16983	1.2
237.16399	1.6
241.15790	1.6
243.17493	1.8
245.15326	1.8
247.16960	5.1
255.17516	2.4
259.16959	2.3
261.18524	2.7
267.17419	1.0
269.18973	1.7
287.20062	1.2
315.07639	1.1
319.06641	1.1
325.25284	4.3
333.20596	1.4
335.23474	7.3
343.26300	5.9
353.24759	21.0
359.02640	1.8
371.25793	19.4
372.26282	1.6
389.26822	19.2
427.28534	3.0
445.29443	100.0
446.29800	5.7
460.48251	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.3
53.03925	3.2
55.01863	2.1
55.05505	16.8
57.03410	3.6
57.07050	1.7
65.03927	3.0
67.05495	50.9
69.03400	1.7
69.07060	17.7
69.43829	6.4
71.04974	4.4
73.04749	1.5
78.46106	1.1
79.05484	39.4
80.05788	1.0
81.03402	3.0
81.07047	42.6
83.04960	3.4
83.08616	9.1
85.06530	2.3
91.05456	59.9
93.07033	40.2
95.04971	8.6
95.08593	28.2
95.49672	1.0
97.06540	5.5
97.10154	3.6
99.08078	1.6
103.05433	2.6
105.04494	1.8
105.07018	54.2
107.04953	5.0
107.08578	19.3
109.06521	5.3
109.10138	10.1
111.08011	1.5
115.05433	3.5
116.06207	1.4
117.07004	27.0
119.04920	1.0
119.08566	32.8
121.06516	5.8
121.10117	12.2
123.08052	3.2
123.11697	2.1
125.09621	1.8
127.07517	1.1
128.06195	6.6
129.06984	18.8
130.07762	2.3
131.08545	42.3
133.06450	4.0
133.10117	16.4
135.08025	3.7
135.11650	5.6
137.09579	1.9
141.06996	7.5
142.07748	2.2
143.08542	17.8
144.09288	1.4
145.06493	3.2
145.10100	25.7
147.04414	1.6
147.08043	3.2
147.11673	6.1
149.09619	3.1
149.13237	1.8
151.11214	1.3
154.07703	1.5
155.08543	10.8
157.10109	11.8
159.08044	2.8
159.11668	9.7
161.09595	2.5
161.13254	3.4
163.19920	1.0
165.06941	2.0
165.09126	2.2
167.08563	3.4
169.10066	7.8
171.08157	1.2
171.11661	7.3
173.09650	1.9
173.11806	1.4
173.13252	4.4
175.11223	1.6
175.14836	1.3
177.12743	2.0
181.10078	6.0
182.10938	1.4
183.11670	6.0
185.13272	5.9
187.11082	1.4
187.14774	2.8
195.11684	4.5
197.13252	5.2
199.14871	3.2
201.12718	1.5
201.16309	1.5
209.13237	4.0
211.14865	4.1
213.12729	2.4
213.16295	2.6
215.14281	2.4
217.15887	2.0
223.14806	3.8
225.16374	2.1
227.14320	2.1
227.17876	1.9
229.15787	2.2
233.15372	2.4
237.16508	1.3
241.15829	2.3
243.17426	1.8
247.16905	2.6
255.17520	1.5
259.17059	1.3
261.18497	3.7
269.19070	1.3
271.16687	1.6
273.18515	2.2
275.57440	1.2
298.97955	0.9
307.23944	2.0
325.25192	4.1
335.23593	6.5
343.26270	6.8
353.24655	16.4
359.02829	1.9
363.94199	0.9
371.25717	18.8
372.26218	1.2
389.26785	18.2
427.28381	2.9
428.33243	1.2
445.29434	100.0
446.29892	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	445.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	23.4
57.03423	9.4
57.07070	10.2
67.05498	28.4
69.03436	15.9
69.07062	41.9
69.33897	46.3
79.05482	14.2
81.07048	92.5
82.31765	5.1
83.08601	12.7
85.02899	38.4
85.06538	22.2
91.05450	7.1
91.59927	5.0
93.07040	40.1
95.08601	100.0
97.02905	5.1
97.10148	16.3
98.21557	11.9
99.08109	15.5
105.07012	12.2
107.08623	30.5
109.10143	53.5
111.08064	6.1
111.11742	12.9
113.09653	14.7
119.08577	10.8
121.10133	22.2
123.11734	29.2
125.09619	5.8
127.03892	8.8
131.08545	7.9
135.11714	26.0
137.05954	10.6
137.13252	13.6
145.10165	6.8
147.11609	5.4
149.13239	29.1
151.03902	12.1
151.14818	13.9
157.10165	6.1
159.11763	6.3
163.14786	20.5
177.05400	8.5
177.16351	11.1
183.17462	5.7
191.17946	5.8
209.08011	9.6
216.32906	5.0
247.24236	48.6
249.14941	5.7
265.25266	11.9
283.26352	17.6
329.06427	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	445.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93717	4.5
53.03928	4.6
55.05497	20.4
57.03423	8.5
57.07058	12.3
67.05505	35.3
69.03412	15.5
69.07061	39.4
70.33417	17.0
70.33822	10.0
70.41826	4.9
71.04983	4.3
71.08612	6.3
72.43362	4.9
73.04741	5.4
79.05480	16.4
81.03406	9.5
81.07053	87.0
83.08624	23.8
85.02905	51.0
85.06525	36.0
91.05847	9.2
93.07043	23.6
95.04948	7.3
95.08605	100.0
97.02879	11.9
97.10151	13.7
99.04379	4.5
99.08089	21.5
105.07042	5.9
107.08588	35.1
109.02905	6.0
109.06508	4.7
109.10149	68.0
111.11718	5.3
113.09612	12.0
119.08556	13.6
121.10136	33.5
123.11716	25.7
127.03919	6.4
129.06972	5.4
133.10139	9.6
135.11674	28.7
137.05962	10.3
137.13217	15.8
145.02840	9.3
145.10127	7.5
147.11612	4.9
148.59131	4.6
149.05919	5.7
149.13268	30.7
151.03893	15.3
151.14793	11.8
157.06436	6.5
163.07683	5.7
163.14804	20.7
165.16382	12.4
177.05449	23.2
177.16360	19.0
189.96170	5.5
191.18074	9.3
209.08099	11.6
217.08510	5.1
247.24164	49.8
249.14926	5.5
265.25250	10.2
283.26184	12.9
329.06613	6.3
445.18695	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	445.367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
53.79444	0.7
55.05507	7.8
57.07074	4.0
64.41636	0.7
64.69025	0.6
67.05499	4.1
69.06722	1.2
69.07060	15.8
69.92678	0.8
71.08607	2.4
79.05485	1.5
81.07050	6.8
83.08604	8.3
85.10146	0.9
91.05439	1.6
93.07016	1.9
95.08589	5.0
97.10155	3.9
98.20733	2.0
105.07004	1.4
107.08562	3.8
109.10120	6.5
111.11697	3.1
119.08553	1.7
121.10122	2.0
122.07277	1.5
123.11665	1.5
133.10167	1.2
135.08029	2.1
135.11656	1.7
137.09613	7.5
139.07550	0.8
145.10081	1.4
149.09613	10.2
151.07553	1.0
159.07994	1.0
159.11740	1.2
162.06664	0.9
163.11139	8.1
165.09094	100.0
166.09445	2.0
173.09586	1.0
174.10362	1.0
174.11850	0.8
175.11166	3.1
176.08214	0.8
177.09048	6.6
177.12665	1.2
179.10620	0.9
187.11125	1.1
189.09102	1.6
189.12747	1.3
190.09900	1.7
191.10684	5.3
199.11159	2.6
201.12758	1.4
203.10623	5.1
205.12225	8.3
215.14326	1.0
217.12067	1.0
219.13770	1.7
231.13786	1.1
233.15193	1.0
328.35831	0.8
359.02890	1.2
382.87491	0.8
387.99741	0.8
415.15381	2.2
417.16837	1.4
421.90768	0.9
427.35785	3.4
429.16888	1.6
430.17673	2.1
431.17975	0.8
445.19943	14.7
445.36963	6.4
446.20700	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	445.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	10.9
55.05507	50.1
55.78334	3.4
57.07068	51.3
67.05504	25.7
69.07065	89.3
69.23959	32.6
71.08632	36.4
79.05480	17.3
81.07047	75.4
81.59174	3.2
83.04968	8.4
83.08609	62.5
85.10175	17.6
91.05471	15.9
93.07034	37.4
95.04937	4.7
95.08597	62.9
97.06523	10.7
97.10160	42.5
101.08871	3.4
105.07005	9.8
107.08580	32.1
109.06512	6.3
109.10133	29.6
111.08050	13.7
111.11704	20.7
119.08575	17.6
121.06467	12.4
121.10138	21.4
123.08064	6.8
123.11678	13.4
124.05189	4.4
125.13248	10.1
131.08521	6.1
133.10083	7.9
135.08064	10.3
135.11667	15.3
137.05956	12.5
137.09586	6.1
137.13263	7.7
139.07520	100.0
143.08540	3.8
145.10095	8.8
147.11690	4.5
149.05827	3.9
149.09592	9.0
149.13254	16.1
151.07541	14.9
156.09375	3.5
159.11674	4.3
161.09566	4.6
161.13242	5.8
163.07527	6.5
163.11220	6.3
163.14798	11.8
165.05449	12.9
165.09091	42.9
171.11642	5.5
173.09644	4.3
174.44872	3.1
175.07552	7.2
175.11151	10.1
177.09076	10.4
177.16479	5.3
179.07190	3.3
179.10675	4.9
181.08525	5.0
185.13356	5.0
189.09122	5.5
189.12747	6.7
191.10681	6.4
193.08575	18.6
200.15623	3.0
203.04288	3.4
203.10606	15.4
205.12242	4.6
213.12770	4.5
215.14383	3.3
217.12224	6.8
219.13806	4.9
221.11673	4.7
231.13785	5.4
233.15140	3.9
289.28918	20.1
307.29935	24.2
348.97369	3.9
356.01520	3.1
381.35153	5.1
399.36096	10.6
409.34698	5.9
427.35654	12.9
445.36676	56.3
446.37210	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	445.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21849	0.5
55.05273	0.5
55.05505	4.9
57.07065	4.3
67.05476	1.6
69.07062	13.7
69.18555	3.8
69.18990	2.2
71.08604	2.3
79.05466	0.8
81.07052	5.1
83.08620	7.9
85.10168	0.5
86.90131	0.5
93.06993	1.5
95.08601	4.1
97.10163	4.7
105.07007	0.6
106.57781	0.5
107.08560	2.0
109.10146	2.9
111.11724	2.8
119.08555	1.4
121.10117	1.6
123.11661	1.1
125.13245	1.3
133.10052	0.8
135.08017	1.3
137.09599	3.0
137.13197	0.9
139.07483	1.4
149.09618	5.7
149.13229	0.7
151.07509	1.1
159.11661	0.7
163.11180	3.8
164.08371	0.7
165.09102	56.4
166.09436	1.0
173.09645	0.7
173.13269	0.6
175.07536	0.5
175.11159	2.2
176.08322	1.0
177.09090	4.2
179.10677	1.2
181.08446	0.7
187.11150	1.5
189.09052	2.1
190.09839	0.9
191.10686	3.6
201.12703	1.2
203.10687	4.0
203.14214	1.4
205.12228	7.8
219.13762	1.2
231.13753	2.2
245.15321	1.1
261.18497	0.8
289.21591	1.4
331.26071	0.7
345.27820	2.0
347.96307	0.6
371.13174	0.9
371.29318	0.9
372.13409	1.2
373.14441	1.2
384.31192	0.5
385.14575	1.2
386.15118	2.2
387.16028	5.6
388.16470	1.7
389.17261	0.9
399.15964	0.6
399.32288	1.0
400.16953	0.6
401.13419	1.4
401.17957	3.9
402.18143	2.1
403.19415	2.6
403.23917	0.5
409.34244	0.7
414.14392	1.5
415.15070	6.7
416.15381	2.7
416.20364	1.2
417.16287	1.5
417.20551	2.7
418.21198	1.5
427.30136	0.9
427.35699	14.2
428.36032	2.1
429.16971	4.6
430.17578	12.7
431.18222	4.8
444.18915	1.1
445.19971	100.0
445.36578	2.3
446.20667	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.1
55.05509	49.0
57.07077	48.4
67.05515	21.3
68.70782	2.8
69.07064	80.6
70.65733	9.8
71.08635	28.5
75.21455	2.9
79.05484	12.6
81.07052	60.6
83.04984	5.6
83.08613	45.1
85.10180	15.4
91.05450	8.4
91.63010	3.2
93.07031	31.9
95.04981	4.3
95.08603	52.0
97.06534	8.8
97.10155	40.9
101.23095	3.0
105.07042	4.6
107.08582	27.1
109.06563	3.9
109.10133	23.9
111.08092	13.6
111.11696	22.5
111.42979	3.0
119.08570	6.0
121.06491	5.9
121.10106	17.3
123.08052	9.7
123.11693	10.5
124.05199	8.7
125.09670	3.1
125.13274	11.1
131.08551	2.8
133.10146	4.1
134.01862	3.0
135.08084	3.2
135.11652	16.1
137.05966	8.3
137.09662	3.1
137.13203	3.4
139.07529	100.0
139.11192	3.3
149.09579	3.0
149.13240	15.8
151.07545	4.2
158.98531	3.7
163.14778	14.1
165.05492	17.1
165.09122	16.1
175.11185	5.3
177.09138	5.5
177.16418	4.2
189.12720	4.9
190.98224	4.2
193.08600	14.9
203.10742	7.4
221.11879	4.4
233.22639	4.5
266.03857	3.0
289.28857	16.0
307.29898	29.9
310.35785	3.4
325.49551	3.2
417.37256	7.3
427.35843	5.0
445.36835	51.9
465.63016	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	446.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.6
63.53997	2.9
67.05518	9.6
69.03426	36.2
69.07057	3.7
70.45705	6.2
70.46095	11.4
70.94553	3.0
71.05009	5.1
73.02909	12.9
79.05502	10.4
81.03416	11.3
81.07051	12.7
83.04987	6.8
85.02895	24.7
85.06505	4.5
87.04462	4.8
91.05453	9.1
93.07043	14.5
95.04944	18.0
95.08584	5.9
97.02885	11.3
97.06509	6.9
105.07025	15.5
107.04974	4.3
107.08578	6.8
109.02888	8.3
109.06502	42.9
109.10164	4.5
111.04443	12.7
117.07045	3.6
119.08553	21.3
121.02872	4.6
121.06493	7.9
121.10140	11.9
123.08054	8.6
124.07579	4.0
127.03906	7.8
129.07008	6.6
131.08595	8.6
133.06502	9.5
133.10126	9.6
135.08037	5.4
135.11671	4.3
137.05969	5.7
137.09579	5.8
139.03896	4.3
139.11110	4.2
141.05396	6.7
143.08566	6.0
145.10124	14.8
147.04408	14.2
147.08040	18.8
149.05991	5.4
149.76256	3.3
151.03905	13.0
151.07649	5.5
155.06033	5.7
155.08615	3.5
156.09338	4.8
157.06619	4.3
157.10133	10.3
161.09619	3.8
163.03934	4.5
165.06940	6.5
165.09111	8.2
169.04951	30.1
169.07635	10.2
170.10852	4.3
171.08043	4.8
171.11604	4.9
173.09615	9.5
175.07532	24.9
180.09331	4.6
180.56364	4.3
183.05505	5.6
185.13272	12.9
187.11128	4.7
188.80225	3.3
189.12744	9.2
191.10590	11.2
193.08600	31.0
195.05495	4.7
195.11684	21.1
197.07109	4.5
198.10419	10.0
200.09138	4.0
203.14349	5.4
213.06651	4.7
213.12744	77.7
221.07025	4.5
225.06656	4.6
231.13794	100.0
249.14854	42.8
252.09190	5.3
271.07169	4.7
285.08667	6.8
295.07083	5.7
303.05014	46.9
313.08276	5.7
321.18784	4.0
386.09802	10.8
428.10812	10.4
446.12088	10.8
446.18594	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	446.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.7
63.28564	0.7
63.43112	0.7
67.05501	4.1
69.07058	4.6
81.07037	2.6
83.08578	1.5
93.07024	1.3
95.08566	2.4
97.10109	1.1
107.08597	1.2
109.10136	5.1
109.22885	0.6
110.10455	0.9
119.08548	2.8
121.06492	9.8
122.07246	2.2
135.08047	1.2
136.08829	10.3
137.09604	11.1
149.05981	1.0
149.09645	2.2
151.07523	0.9
152.08240	1.5
159.11783	0.8
163.11198	1.8
164.06908	1.2
164.08315	29.8
165.09099	100.0
166.09435	9.7
177.09061	1.9
189.09044	1.7
191.10497	0.9
203.10635	1.2
205.12242	7.3
250.19005	0.8
304.40536	0.8
323.52820	0.7
373.82199	0.8
400.18292	0.7
403.19360	1.0
406.26639	0.8
428.36429	3.1
446.20740	7.2
446.37506	72.0
446.98703	1.0
447.20920	1.9
447.37735	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1282
Annotation	Sissotrine
Peak:m/z	Relative Intensity
53.03920	0.4
57.03428	0.3
61.02911	0.4
61.16578	0.2
67.05499	0.3
69.03405	1.2
71.20464	0.3
73.02905	0.8
79.05480	0.3
81.03398	0.8
81.07031	0.8
85.02907	2.3
85.46750	0.2
86.03239	0.3
86.09682	0.6
91.05467	0.4
93.07012	0.5
95.04936	0.4
95.08582	0.4
97.02882	1.0
99.04438	0.3
105.07013	0.3
109.02856	0.5
109.10120	0.4
118.52418	0.2
119.04893	1.0
119.08566	0.4
121.02898	0.4
124.01549	0.6
127.03863	0.6
130.06491	0.3
133.10089	0.4
137.05969	0.4
145.02823	0.6
147.04344	0.3
153.01762	0.3
167.03392	2.2
185.04433	0.3
187.03929	0.3
190.77145	0.3
197.06026	0.3
213.05348	0.4
225.05522	0.5
225.47191	0.3
229.04900	0.5
242.05719	9.9
243.06102	0.5
270.05215	6.0
284.46109	0.3
285.07538	100.0
286.07901	3.9
303.04965	4.7
349.27774	0.3
447.16901	0.4
461.18738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.03939	3.3
55.01857	2.3
55.05507	8.8
57.03434	1.4
57.07058	1.3
62.55636	0.6
65.03928	2.2
66.04717	0.5
67.01854	3.0
67.05492	6.2
68.99775	1.0
69.03422	5.8
69.07064	7.1
71.04971	2.0
71.53065	0.7
71.53449	0.8
73.02896	1.5
73.04733	0.6
75.04475	0.7
77.03922	1.4
78.04696	1.2
79.05489	9.4
81.03408	9.6
81.07052	13.9
83.04974	2.1
83.08614	1.7
85.02907	3.4
85.06525	1.9
90.04681	1.0
91.05463	14.1
92.02588	1.2
93.03388	2.1
93.07036	11.0
94.04199	1.4
95.04959	7.2
95.08597	11.2
97.02882	2.3
97.06513	2.0
97.10165	9.5
99.04444	1.4
99.08087	0.8
103.05452	6.5
104.06246	2.0
105.03365	4.1
105.04505	0.7
105.07021	21.5
106.04146	1.3
107.04945	6.2
107.08575	8.5
109.02866	13.7
109.06496	4.5
109.10152	7.9
110.03671	1.3
111.04436	3.1
111.08071	1.5
111.11731	0.8
115.03884	0.7
115.05437	3.9
117.03320	1.0
117.06990	2.7
118.04150	2.2
119.04916	5.2
119.08563	8.8
120.02071	1.9
120.05737	0.8
121.02859	3.8
121.06496	7.9
121.10125	6.3
122.03624	6.0
123.00774	0.7
123.04427	6.2
123.08047	2.2
123.11708	3.3
124.05157	1.0
125.05981	3.7
125.09641	3.6
127.03908	2.7
128.06224	1.5
129.06984	2.0
130.04111	0.9
131.04915	13.4
131.05832	1.2
131.08536	3.7
132.05690	11.4
133.02834	5.8
133.06470	11.7
133.10114	5.2
134.03627	1.5
135.04391	5.9
135.08035	2.0
135.11673	3.9
136.05205	0.7
137.05960	9.0
137.09607	1.9
138.03070	3.8
139.03864	1.8
139.11162	1.2
140.04675	2.9
141.06993	0.8
143.04890	0.7
143.08578	3.0
143.10632	1.8
145.02820	0.8
145.06512	1.3
145.10080	5.7
146.03546	3.2
147.04385	5.1
147.08038	1.7
147.11674	4.9
148.01509	1.5
149.02322	9.5
149.05974	7.0
149.09605	2.3
149.13240	1.7
150.03108	7.3
151.00291	1.6
151.03877	2.5
151.07558	3.0
151.11185	1.1
152.04672	1.2
153.01761	0.7
153.05441	9.8
153.09062	0.8
154.06204	0.8
155.07076	0.9
155.08438	1.4
156.09312	0.9
157.06526	0.7
157.08899	0.7
157.10088	3.5
159.04391	0.9
159.08041	1.3
159.11676	6.1
160.05136	3.8
161.02328	3.1
161.05956	22.9
161.09608	2.0
161.13255	2.4
162.03127	1.0
162.06699	1.5
163.00229	5.1
163.03885	21.5
163.07533	1.9
163.11205	1.4
163.14822	1.4
164.04616	1.2
165.01828	1.6
165.05452	7.2
165.09128	1.3
165.12816	1.0
166.02588	14.1
167.07016	14.7
167.08421	0.8
168.04175	1.3
168.07704	1.3
169.10101	1.3
170.85649	0.6
171.08031	0.7
171.11629	1.8
173.09657	1.5
173.13261	2.3
175.03899	1.0
175.07483	1.9
175.11177	2.3
175.14799	1.8
176.04614	2.3
177.01849	6.7
177.05469	8.7
177.09137	1.6
177.12685	1.6
178.02600	5.3
178.06195	4.1
179.03392	3.2
179.07037	5.6
179.14012	0.6
180.04181	0.8
180.07800	4.4
181.01314	2.3
181.04935	13.8
181.06525	1.1
181.08563	2.9
181.12138	0.6
182.02107	1.7
182.09360	1.4
183.11723	1.3
185.09596	0.8
185.13231	2.0
187.11145	1.5
187.14870	2.1
189.05461	1.2
189.09102	1.2
189.12694	1.2
189.16354	0.9
191.03377	4.7
191.04971	0.6
191.05493	0.8
191.06955	5.1
191.10669	1.3
192.04089	1.3
192.07784	11.0
193.04947	16.4
193.08563	9.9
194.02168	1.0
194.05698	0.7
195.02882	9.9
195.06534	1.1
195.11732	0.8
197.13321	1.5
201.16315	1.0
203.06969	0.8
203.10704	0.7
204.30943	0.6
205.01289	6.5
205.04977	1.6
205.12262	0.7
205.15785	1.2
207.02884	1.3
207.06555	1.7
208.03639	1.3
209.00848	2.2
209.04420	18.3
209.07928	3.0
210.08830	1.4
211.09521	3.0
211.14905	0.9
213.12852	1.1
219.02928	1.8
220.03618	0.7
221.04420	2.4
222.01683	0.8
222.05225	2.8
223.02393	2.5
223.05907	4.4
224.03078	4.6
227.14398	1.0
229.12231	0.8
229.15979	0.6
231.13820	1.4
235.02248	0.8
236.24063	0.6
237.03909	78.0
237.16200	0.7
238.04361	3.8
239.05382	3.6
239.14377	0.8
243.11299	0.7
248.03085	2.9
249.03925	3.6
251.05460	15.7
253.07002	1.0
257.04449	1.4
263.05435	6.8
267.21213	1.0
275.05615	1.8
279.05045	1.0
283.20612	0.8
285.07520	1.6
285.12332	1.4
285.22180	1.9
287.16248	0.7
293.06509	12.7
294.06750	0.7
297.07538	0.7
299.09171	1.6
303.13382	0.6
303.23175	1.0
369.09387	0.9
385.09009	0.9
393.24274	1.1
397.09039	4.7
411.25275	2.0
417.11737	1.7
429.11569	2.0
429.26013	4.4
447.12808	100.0
447.22314	4.3
447.27078	16.9
448.13153	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	447.2011
Annotation	Platyphyllonol-5-O-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
51.02382	2.0
53.03939	8.6
55.01863	6.2
55.05510	10.4
57.03434	6.8
57.07065	2.3
65.03934	3.4
65.71069	1.3
67.05499	18.7
69.03417	22.0
69.07048	6.2
71.01360	1.8
71.04990	3.5
71.53153	1.8
72.34888	1.5
73.02927	1.9
75.04459	3.5
77.03928	2.7
79.05480	26.9
80.10725	1.3
81.03405	48.0
81.07048	29.3
83.04977	3.9
83.08602	2.8
85.02901	12.8
85.06496	1.8
91.05469	39.8
93.04462	1.4
93.07033	96.6
93.24634	1.4
95.04942	16.2
95.08589	33.8
97.02864	6.9
97.06503	4.1
97.10157	5.0
99.04431	9.6
99.08135	1.6
103.05450	11.5
105.04514	2.6
105.07013	25.7
107.04939	6.2
107.08578	17.5
109.02869	21.4
109.06511	9.5
109.10137	24.3
109.99802	1.3
111.04448	3.5
111.08102	4.0
115.05431	8.4
116.06252	2.3
117.07023	11.5
119.04932	11.0
119.08553	13.7
121.06493	39.8
121.10127	68.1
123.04404	21.1
123.08057	9.3
123.11679	3.7
125.05952	3.9
125.09621	3.1
127.03895	21.0
128.06177	9.3
129.06952	9.5
129.36333	1.4
131.04881	9.7
131.08560	10.4
133.06483	13.6
133.07527	2.0
133.10081	8.4
135.04424	2.8
135.08069	6.5
135.11652	2.5
137.05963	50.2
137.09601	9.2
139.11140	2.0
141.07001	6.0
142.07764	2.8
143.04945	2.8
143.08537	14.9
144.05769	2.1
145.06458	15.0
145.10132	4.6
147.04393	19.6
147.08031	5.8
147.11685	4.1
149.02338	2.0
149.05963	100.0
149.09587	16.4
150.06371	2.5
151.07539	28.2
151.11140	1.8
152.06197	1.5
153.05525	1.8
153.06982	4.2
155.08522	6.7
157.06441	6.9
157.10121	4.0
159.04474	1.5
159.08034	9.3
159.11678	3.1
160.05190	2.5
161.05952	27.0
161.09613	3.6
161.13272	2.5
163.03899	1.9
163.07518	18.0
165.05460	44.2
165.06868	3.4
166.07780	1.5
167.07022	41.2
167.08444	3.3
167.10631	2.1
169.06468	2.5
169.10126	4.7
170.07100	1.8
171.08029	11.6
173.05923	13.4
173.09602	5.3
174.06775	3.0
175.03999	1.5
175.07512	19.4
177.05406	8.3
177.09094	5.0
179.07050	6.6
179.08469	1.8
181.06471	3.4
181.08583	2.9
183.08063	9.5
183.11665	3.7
185.05952	2.4
185.09618	3.5
186.06688	2.3
187.07513	18.9
188.08159	1.6
189.05505	9.1
189.09079	84.7
191.07001	15.2
191.10686	4.8
193.08574	3.1
193.53462	1.6
195.08087	2.2
197.09628	3.5
198.06821	2.1
199.07530	6.0
199.14767	1.7
201.05444	2.1
201.09071	19.1
202.09750	2.4
203.07016	11.0
203.10611	7.4
205.08531	10.2
207.06566	2.2
207.10143	22.6
209.09718	2.7
210.10461	1.7
211.07582	6.8
211.11182	3.9
211.14705	2.4
213.09158	3.3
214.06212	2.0
215.07034	4.5
215.10661	8.1
217.08661	6.9
219.06512	2.6
219.10123	3.4
221.08006	3.4
221.13353	2.1
223.11224	2.8
224.11801	1.8
225.09077	3.4
227.06966	4.6
227.10641	5.1
229.08604	25.1
229.12154	22.6
231.10104	2.4
233.08099	4.1
238.09819	2.8
239.14383	8.7
241.12280	3.6
243.10156	1.7
243.13867	2.5
245.08035	8.4
247.13350	2.4
249.12686	2.5
251.10712	1.6
252.11349	1.9
255.10156	1.5
257.08060	5.4
257.11490	2.5
257.12494	2.6
257.15323	31.7
259.16843	2.1
263.09119	3.5
265.10593	2.1
267.13757	13.5
270.12509	2.3
271.13226	2.7
275.09366	3.1
275.16388	15.9
281.10321	1.6
281.13766	1.9
283.13409	2.5
285.07724	3.6
285.14819	75.9
286.15250	3.1
297.03653	1.8
297.14755	2.0
299.09006	1.7
303.05328	3.1
303.15887	22.7
309.14908	2.5
311.16180	1.7
313.14447	2.6
315.15753	3.1
323.09207	1.5
325.10577	1.7
327.15802	2.9
331.15268	2.4
337.14270	1.7
343.04443	5.5
369.16873	2.2
383.17740	1.4
387.17975	2.0
393.05957	1.8
393.17026	2.4
411.17920	4.8
429.19043	14.7
429.25223	2.8
447.20261	24.7
447.27332	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	447.2222
Annotation	Sacranoside A
Peak:m/z	Relative Intensity
53.03933	3.3
55.01864	8.7
55.05505	12.4
57.03431	14.4
57.07080	4.5
59.04991	4.6
61.02915	10.0
67.05500	14.5
69.03420	25.5
69.07059	13.6
69.61575	17.6
71.01348	5.7
71.04966	3.9
72.72144	2.4
73.02914	72.1
78.48250	2.7
79.05478	10.4
81.03425	12.3
81.07047	39.4
83.04966	21.1
85.02895	21.9
85.06532	4.8
87.04473	6.3
91.05449	14.7
93.07026	22.0
95.04955	23.2
95.08589	24.1
97.02892	13.4
97.06521	10.0
97.10159	3.8
98.97554	2.4
99.04436	4.1
99.08057	3.5
103.03921	8.3
105.07011	15.8
107.04919	5.7
107.08583	27.7
109.02868	6.9
109.06504	8.3
109.10115	11.6
111.04430	5.4
111.08057	3.8
115.03905	13.5
117.07015	7.0
119.04924	4.4
119.08584	12.1
121.02861	2.9
121.06493	6.5
121.10143	15.3
123.04414	5.3
123.08053	7.3
123.11682	4.2
125.05956	8.7
125.09597	3.1
127.03907	7.0
131.08546	10.4
133.04953	8.9
133.06422	2.4
133.10110	8.9
135.07999	7.7
135.11681	12.6
137.02357	4.1
137.05946	7.8
137.09592	7.5
137.13248	9.9
139.07487	4.0
140.35526	2.1
143.08554	3.5
145.06471	3.6
145.10094	6.8
147.04401	8.2
147.08038	4.6
147.11679	7.5
149.02281	2.4
149.09587	8.8
149.13263	4.0
151.07542	6.1
151.11191	7.6
153.01826	7.3
153.12711	5.1
157.04965	2.4
157.10104	3.6
159.11655	6.5
161.06001	2.9
161.09572	3.2
161.13304	3.8
163.03859	3.7
163.07538	5.5
163.11148	6.0
165.09042	6.3
165.12766	20.0
173.08163	15.9
173.09441	3.7
173.13292	3.2
175.11171	4.3
177.09122	5.9
177.12680	12.6
179.10619	4.1
179.14413	2.8
181.08607	4.0
191.06999	2.7
195.13776	4.7
199.09593	3.0
205.12193	3.9
207.13789	8.9
213.11159	2.7
219.13774	3.7
222.28423	2.5
223.09624	3.0
229.04858	4.0
237.14948	3.7
241.10625	2.7
261.14917	6.0
267.69812	2.9
279.15765	12.7
281.59094	2.9
285.04047	3.5
285.07581	2.6
297.17007	23.6
303.04974	100.0
304.05380	8.4
309.16815	4.8
315.17984	3.7
338.18982	2.3
339.17572	2.6
396.60483	2.7
412.11737	2.6
429.21219	3.2
447.27252	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	447.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.9
53.30066	2.0
55.01855	8.7
55.05508	30.8
57.03431	11.3
57.07073	2.7
61.02912	4.1
65.03926	5.1
66.09270	1.9
66.60532	2.3
67.05503	63.3
69.03409	6.9
69.07067	18.4
69.23168	25.4
71.01347	2.6
71.04977	7.2
79.05492	63.4
81.03415	90.2
81.07056	43.8
83.04969	14.0
83.08612	19.3
85.02891	8.1
85.06553	4.2
91.03928	3.6
91.05467	50.4
93.07039	57.8
95.04964	44.1
95.08601	22.9
97.02876	6.2
97.06533	11.1
97.10166	18.2
97.29513	2.5
98.21539	3.9
99.08086	3.3
103.05442	4.0
105.07022	32.7
107.04922	15.2
107.08582	32.7
109.06506	6.8
109.10158	13.1
110.37189	2.1
111.08069	10.8
115.05475	4.5
117.06998	15.6
119.04942	2.4
119.08579	25.3
121.06506	9.4
121.10137	16.3
123.08068	4.4
125.09618	6.4
128.06180	2.4
129.06993	19.0
131.04922	4.0
131.08539	16.7
133.06473	9.4
133.10136	13.9
135.08061	7.1
135.11685	42.3
137.05962	4.0
137.09589	4.4
141.06873	3.6
142.07823	2.6
143.08543	9.4
145.06493	8.2
145.10146	15.1
147.08044	7.8
147.11665	6.2
149.02322	3.8
149.09563	6.7
151.07576	6.1
155.08562	2.9
157.10159	14.8
159.08049	3.7
159.11679	4.8
163.07681	2.2
163.11183	8.2
165.09158	2.7
165.12741	2.5
167.08519	2.4
169.10107	3.8
171.08073	2.5
171.11681	4.2
175.11177	13.6
181.12186	5.0
185.09599	2.5
185.13261	5.3
187.11237	3.8
193.12227	36.8
203.14282	6.3
211.13217	5.7
233.19249	2.4
249.14854	5.2
285.16959	3.7
329.21066	7.8
337.21637	5.4
355.22693	16.2
373.23694	8.6
403.24847	8.9
429.26251	14.4
447.27356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	1.4
53.03938	7.7
55.01859	6.6
55.05264	2.4
55.05506	33.5
55.37238	1.4
57.03442	10.6
57.07067	1.6
57.30604	1.4
65.03925	4.4
65.52412	1.4
67.05497	65.1
69.03408	5.3
69.07059	22.5
69.43353	14.2
71.01343	2.8
71.04969	6.7
71.08610	1.5
76.70142	1.7
79.05485	72.1
81.03411	73.1
81.06585	3.0
81.07047	46.3
82.35799	1.4
83.04980	13.4
83.08607	21.1
85.02893	2.7
85.06538	5.3
87.73856	1.4
91.05465	55.7
92.05818	2.2
93.07035	56.7
93.07623	3.4
95.04955	44.2
95.08601	23.3
97.02904	3.5
97.06513	13.4
97.10168	14.2
98.20781	3.6
99.08044	2.7
103.05449	2.1
105.04523	2.4
105.07020	34.7
107.04945	15.5
107.08581	31.6
109.02881	3.6
109.06520	8.5
109.10138	13.4
111.04482	2.1
111.08044	7.8
111.11729	2.9
115.05450	2.9
117.06999	19.8
119.04959	2.6
119.08567	24.7
121.06502	12.3
121.10130	14.4
123.04444	1.9
123.08056	5.3
123.11660	2.7
125.09631	9.0
127.03889	2.0
128.06180	4.4
129.06999	21.2
130.07777	2.1
131.04947	3.2
131.08548	19.6
133.06461	10.7
133.10127	16.0
135.08040	5.2
135.10686	2.9
135.11676	39.2
135.12706	2.1
137.05898	1.6
137.09616	3.7
141.06963	4.7
142.07759	4.4
143.08530	8.5
145.06448	10.3
145.10101	18.3
147.08069	7.6
147.11674	12.9
149.09567	8.0
151.07568	2.1
155.08539	3.1
157.10121	13.5
159.08041	4.8
159.11673	7.1
161.09668	2.6
161.13263	3.4
163.07507	2.0
163.11183	9.6
165.09087	2.0
165.12782	3.4
167.08562	1.8
169.10106	4.1
171.08084	2.3
171.11697	3.4
173.09570	3.6
173.13258	1.6
175.07460	2.1
175.11166	11.3
177.09088	1.8
177.12790	2.5
181.10139	3.2
181.12224	6.3
183.11702	2.4
185.09496	1.9
185.13266	7.0
187.11142	4.6
189.11220	5.5
193.12216	27.8
201.12761	1.9
203.14287	6.6
205.12221	4.4
211.11168	2.1
211.13091	1.9
225.12773	2.3
227.12766	3.3
229.12386	1.9
231.13849	2.0
243.13742	2.2
249.14857	5.5
267.15842	1.7
327.23019	3.3
329.21088	3.9
329.96964	1.7
332.86359	1.5
337.21408	8.3
355.22580	20.1
356.22830	1.8
373.23648	9.5
393.24216	1.9
403.24768	5.5
411.25040	2.2
429.26163	16.7
447.27386	100.0
448.27780	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	447.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.0
55.01860	7.9
55.05503	41.1
55.20580	5.2
55.71470	4.5
57.03430	9.7
57.07051	12.5
65.03938	7.8
67.05501	68.8
69.03412	18.6
69.07063	50.8
69.41242	9.8
69.41643	37.8
71.04982	8.2
71.08600	6.0
79.05484	49.6
81.03413	62.1
81.07044	100.0
83.04963	7.1
83.08601	30.4
85.02895	35.2
85.06539	29.4
91.05460	49.5
93.07032	60.3
95.04963	42.0
95.08603	71.7
97.02877	12.4
97.06523	23.2
97.10170	27.7
97.67467	4.3
99.04429	5.8
99.08065	5.8
105.07009	40.5
107.04952	17.5
107.08575	39.7
109.02861	21.8
109.06503	8.7
109.10137	57.9
111.04424	11.6
111.08077	9.5
111.11672	9.3
117.07008	12.9
119.04929	7.5
119.08546	31.1
121.06471	13.3
121.10131	17.7
123.04442	4.9
123.08057	5.9
123.11722	30.0
125.05975	6.1
125.09622	9.5
127.03863	8.2
128.38857	4.5
129.06946	12.6
131.08540	23.6
133.06435	8.8
133.10121	24.9
135.08018	5.3
135.11682	36.4
137.05975	8.2
137.09624	7.8
143.08575	10.0
145.04970	5.5
145.06392	6.3
145.10104	17.0
147.07980	12.4
147.11638	20.9
149.02307	17.8
149.09604	11.0
149.13240	10.8
151.07535	7.0
157.10104	15.8
159.11682	14.6
161.13263	7.7
163.03833	5.7
163.11086	7.0
163.14787	5.9
165.16515	4.9
171.11635	11.6
173.09648	6.8
173.13225	9.7
175.11174	9.7
175.14757	6.0
181.04897	5.8
183.11681	6.8
185.13176	6.3
187.11278	7.1
187.14714	6.0
189.09183	6.3
193.04958	13.5
193.12256	23.8
193.19536	6.6
197.13229	5.1
203.14224	5.5
209.67781	4.9
211.13272	6.0
237.07507	8.4
327.23236	6.1
337.21558	7.0
355.22531	7.2
429.11612	10.8
429.26331	18.2
447.27100	78.6
447.32098	5.6
448.27444	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	447.3466
Annotation	9-hydroxycerevisterol
Peak:m/z	Relative Intensity
55.05496	38.5
55.76488	8.2
57.07080	47.6
67.05505	25.4
69.07050	54.4
70.56417	21.5
70.56761	15.4
71.08615	33.6
74.49200	9.8
75.93047	9.5
77.19709	7.9
79.05479	19.9
80.62303	8.4
81.03403	13.9
81.07052	60.4
83.04933	15.7
83.08603	36.0
85.10163	21.8
91.05466	23.6
93.07050	43.0
95.08583	54.0
97.06519	14.3
97.10163	30.9
105.07014	43.4
107.04949	41.8
107.08579	36.7
109.06504	9.9
109.10158	26.0
111.11671	11.5
117.07034	13.2
119.08572	27.3
120.95438	8.8
121.10152	23.2
123.11689	17.0
125.05984	14.5
131.08560	26.8
133.06503	11.2
133.10226	19.7
135.11684	24.2
143.07013	32.1
143.08560	17.4
145.10107	24.2
147.08025	22.5
147.11667	32.0
149.13271	14.4
151.07672	8.9
157.10129	20.5
159.08104	10.4
159.11662	29.4
161.09697	9.8
161.13284	18.8
165.09148	11.1
167.07030	17.6
169.10066	12.6
171.08092	11.5
173.09579	9.9
183.11699	11.7
185.13377	15.3
189.08998	14.5
199.14818	8.9
203.10701	10.5
207.10213	13.1
329.28262	26.9
354.98370	10.0
369.31442	14.7
371.29297	9.6
383.33182	11.3
387.32446	28.7
393.31335	19.1
411.32379	70.5
429.33539	100.0
447.34418	24.1
458.04489	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	447.3463
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
53.03946	1.4
55.05505	18.0
57.03423	1.7
57.07069	11.4
58.34026	1.1
59.28461	1.0
67.01871	1.4
67.05495	5.7
69.07061	31.7
70.99229	2.2
71.08624	4.9
79.05490	1.9
81.07051	14.4
83.04959	2.2
83.08614	19.6
85.04133	0.9
85.10176	1.7
91.05432	4.8
93.07037	8.6
95.05013	1.5
95.08601	13.0
97.10153	9.0
105.07005	2.4
107.08593	2.3
109.06517	2.2
109.10146	6.8
111.11696	4.4
119.08530	1.0
120.05737	1.0
121.06483	3.2
121.10115	2.1
123.08064	3.8
123.11675	4.3
125.13235	1.0
131.08560	2.5
133.06473	1.1
133.10097	1.6
135.08055	3.1
135.11697	1.2
137.05957	15.0
137.13249	1.7
139.03880	1.5
139.07524	4.3
143.08473	1.2
145.10124	1.4
147.08031	2.4
149.05957	5.4
149.09610	2.2
151.07532	26.7
151.14790	1.3
157.10107	1.2
159.08038	2.2
161.05965	5.4
161.09605	3.0
161.13182	1.2
163.07489	1.3
165.05475	8.8
165.09111	7.9
167.07025	100.0
173.09586	1.3
174.06689	1.1
175.07556	3.1
175.11185	1.4
176.08356	1.0
177.09114	5.5
179.07054	3.7
179.10672	2.8
181.08586	3.2
188.08394	1.0
189.09079	7.6
189.12643	1.6
191.07004	3.9
191.10690	2.2
193.08611	7.6
195.10124	1.8
201.09221	1.4
202.09969	1.4
203.10580	6.4
205.08565	12.0
205.12189	1.4
207.10147	10.1
217.12196	3.6
219.10133	4.0
221.11751	3.2
231.13683	1.7
233.11798	3.3
235.13284	1.3
250.27621	1.1
259.16922	1.4
285.18808	1.3
291.19675	1.3
312.44904	1.1
327.09756	1.1
347.25409	1.2
389.17514	1.8
404.19803	1.4
411.32590	2.4
419.22260	3.4
429.33646	13.8
447.21506	10.1
447.34641	17.8
448.22043	1.3
469.22589	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3466
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
53.03934	1.2
55.05510	15.2
57.03418	1.1
57.06832	0.7
57.07073	9.8
67.01852	2.2
67.05499	5.6
68.70336	0.5
69.07064	29.7
69.19006	2.8
69.19432	4.2
70.67933	0.5
71.08639	5.7
71.17943	0.5
79.05495	2.9
81.07050	13.8
81.60621	0.6
83.04966	2.5
83.08614	13.8
85.02871	0.7
85.10162	2.1
91.05460	4.0
93.07032	8.5
95.04940	1.1
95.08600	12.2
97.10165	10.3
105.07017	3.2
107.08553	2.5
109.06506	3.5
109.10177	5.2
111.04424	0.8
111.11737	4.3
117.06967	0.8
119.08552	2.4
119.09384	0.7
121.06494	2.0
121.10144	2.2
123.08054	3.3
123.11698	3.6
125.06026	0.7
125.13255	2.4
129.07002	0.8
131.08572	1.3
133.06512	1.5
133.10121	1.7
135.08046	2.7
135.11642	1.0
137.05975	13.0
137.13234	2.4
139.03888	1.5
139.07538	5.0
141.05391	1.3
145.10158	1.4
147.08070	2.0
147.11691	0.9
149.02364	0.7
149.05951	4.6
149.09639	0.7
149.13295	1.4
151.07535	23.7
151.14769	1.0
153.05396	1.2
157.10092	1.0
159.08052	1.8
159.11665	1.1
161.05972	3.9
161.09615	1.7
163.07542	1.0
163.14679	1.0
165.05467	10.0
165.09094	8.2
165.16344	0.7
167.07027	100.0
168.07367	1.8
173.09528	1.0
175.07513	3.3
175.11205	1.5
177.09064	5.2
179.06987	4.4
179.10643	2.3
181.08603	3.3
187.07581	0.8
187.11160	1.1
188.08301	1.1
189.09114	7.7
189.12764	0.8
191.06999	4.1
191.10677	3.2
192.07751	0.7
193.08586	6.3
193.12155	0.6
195.10127	1.3
201.09087	1.3
203.10649	4.3
205.08586	12.6
205.10385	1.2
205.12267	1.8
207.10159	8.5
215.10664	1.4
217.12306	3.0
219.10098	5.5
219.13913	0.7
221.11749	3.4
229.12279	1.7
231.13756	1.6
233.11699	3.3
235.13211	1.9
247.13251	1.3
249.14796	0.9
291.19507	1.6
305.21280	1.3
319.22861	0.6
333.24423	0.9
347.25632	1.0
373.27203	0.8
401.34201	0.9
405.37073	0.7
411.32361	4.1
429.33670	13.7
430.34244	0.8
447.17947	0.9
447.34714	14.6
448.34555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3829
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05508	49.5
57.07072	76.1
67.05499	8.4
69.07063	97.5
70.65971	11.4
71.08628	69.2
81.07047	18.2
83.08604	70.7
85.10177	36.8
91.05455	4.7
93.07040	8.8
95.08601	9.9
97.10165	64.5
100.46009	3.2
105.07008	3.9
107.08581	11.6
111.08036	4.6
111.11715	51.1
113.13326	4.3
119.08562	5.0
121.06479	6.8
125.13251	21.7
135.08025	19.4
137.09619	8.4
138.06747	3.8
138.93158	3.5
139.07521	24.9
139.14783	6.1
149.09602	10.7
151.07535	16.9
153.09114	19.2
163.07529	5.7
165.09091	67.8
166.06215	6.4
169.08603	10.9
175.07613	4.0
177.09074	7.3
179.10706	6.0
181.08585	42.0
191.10672	9.8
205.12244	10.8
343.03506	3.8
358.22339	3.9
383.09900	3.7
429.37451	28.2
447.38272	100.0
448.38239	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	447.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
55.05504	64.9
57.03416	3.9
57.07068	33.6
65.03928	2.2
67.05497	79.2
69.07059	83.5
70.70840	6.1
71.04979	3.7
71.08623	25.3
78.69529	1.6
79.05018	1.7
79.05481	37.2
81.07047	100.0
82.07360	2.3
83.04973	10.8
83.08609	72.3
84.08950	2.1
84.20877	1.9
85.06548	2.9
85.10166	13.8
91.05448	5.1
93.07035	41.3
93.07617	2.2
95.04947	2.2
95.08593	98.5
97.06518	5.5
97.10159	53.8
99.08083	2.6
107.08580	25.1
109.10139	46.2
111.08112	8.5
111.11699	24.9
121.06539	3.5
121.10124	52.9
123.11687	27.2
125.09644	3.2
125.13234	6.9
135.08049	3.8
135.11674	34.7
137.13249	10.6
139.07533	10.3
139.11183	2.1
149.13235	15.1
151.14807	5.8
156.22523	1.9
163.14804	5.5
171.17455	3.8
179.17953	3.8
193.19423	2.9
205.19380	1.7
207.21120	4.9
215.32275	1.5
219.21008	9.2
221.22569	2.1
225.22188	1.9
233.22592	3.4
237.22052	8.5
247.24287	5.0
250.29520	1.8
261.25693	4.2
265.25400	2.0
275.27219	4.6
289.28818	2.6
429.44519	31.4
447.38312	20.8
447.45499	22.6
448.38379	4.9
448.44531	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	448.196
Annotation	Glycoerysodin
Peak:m/z	Relative Intensity
54.22915	0.6
57.03419	1.6
61.02914	1.3
69.03427	4.5
70.00333	3.7
71.04993	0.9
73.02901	1.2
79.05479	1.5
79.26226	0.6
81.03394	1.8
85.02897	8.6
87.04454	1.2
91.05464	2.4
95.04955	1.7
97.02879	2.9
98.20901	0.7
103.05457	1.4
107.04945	100.0
108.05264	1.2
109.02874	2.0
115.03889	1.0
115.05446	10.6
117.06941	1.5
119.04939	2.6
121.02833	2.3
121.06513	4.6
127.03900	1.8
131.04910	2.1
133.04958	0.7
137.05969	15.3
140.07053	1.2
143.04919	20.4
145.05249	0.9
145.06464	10.0
147.04395	1.8
149.05940	0.9
151.07486	1.4
152.07106	0.8
155.05977	0.8
160.05109	1.0
163.06293	0.8
163.07562	1.7
166.07687	0.9
175.07533	9.5
178.08620	8.5
181.06500	0.9
181.10106	0.9
182.08179	1.6
191.08548	2.6
194.07251	3.3
195.08043	0.7
206.08115	0.8
209.09576	7.2
219.08122	1.8
222.06938	0.7
237.09113	11.3
239.06999	1.1
254.09401	1.4
267.10107	1.2
269.11707	31.4
270.12100	1.2
284.12875	1.8
286.14349	51.4
287.05505	6.8
287.14679	2.2
363.91406	0.7
448.19669	94.4
449.20041	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	448.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01863	0.9
57.03420	1.5
58.06565	0.7
63.02406	0.6
69.03424	5.1
71.04977	0.9
71.22118	0.6
73.02907	1.4
79.05482	1.3
81.03407	2.0
81.07018	1.0
81.94716	0.6
82.19453	0.6
83.04960	0.7
85.02900	8.1
87.04440	0.7
91.05479	1.1
93.07005	1.3
95.04955	1.6
97.02899	3.0
99.04443	1.5
103.05440	1.0
105.06979	0.9
107.04945	100.0
107.08600	1.3
108.05268	1.2
109.02871	0.8
109.06503	1.2
109.10159	1.0
115.05448	10.6
117.07044	0.9
119.04920	1.1
121.02870	2.1
121.06464	5.3
121.10162	0.7
123.04383	0.9
123.08044	0.7
127.03925	1.8
131.04915	2.6
133.06479	0.7
137.05965	11.7
143.04915	20.3
144.19791	0.6
145.05174	0.9
145.06479	10.8
147.04379	1.3
148.92697	0.7
149.02344	0.6
151.07555	1.0
153.01801	0.9
155.23145	0.6
160.05211	1.6
163.06245	1.1
163.07552	2.1
164.07033	0.8
165.06837	0.7
175.07532	9.2
178.08607	6.8
181.06480	0.9
181.10144	1.2
182.08076	0.8
191.08585	2.5
194.07314	2.6
204.08678	1.1
209.09599	7.9
219.08061	1.7
233.66019	0.7
237.09058	11.8
238.09932	0.9
250.18062	1.6
254.09270	1.5
268.19147	1.1
269.11731	33.4
270.11914	1.1
281.11542	0.8
284.12912	1.8
286.14359	59.0
287.05441	12.1
287.14667	2.2
305.66641	0.7
317.66974	0.6
388.13751	0.8
409.62393	0.6
424.30844	0.7
430.24481	2.2
448.19659	93.3
449.08081	1.0
449.20233	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	448.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05502	1.4
57.03436	10.1
61.02908	1.9
69.03426	2.5
69.44861	0.8
69.50979	5.6
71.04988	66.8
73.02902	2.3
75.04469	4.5
76.91409	0.7
81.03417	0.9
81.08220	0.7
83.04977	7.8
85.02900	100.0
86.69209	0.7
87.04463	2.2
91.05466	0.8
97.02901	5.3
98.20828	1.2
99.04446	1.4
105.07035	3.1
109.02837	1.7
111.04401	5.0
119.04930	1.3
121.02914	0.9
127.03923	5.6
129.05473	39.4
136.07562	1.1
136.29539	0.8
137.02327	1.1
145.04980	6.2
146.08160	1.4
147.06517	25.1
153.01918	1.2
163.06105	1.8
164.09155	5.4
175.03912	1.1
188.03793	0.9
207.06563	3.2
246.18607	0.8
255.08766	1.3
273.09457	0.8
287.05594	2.0
303.05002	12.7
309.11813	1.8
414.99905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
55.05498	2.5
57.03430	10.8
61.02906	2.4
62.70588	1.1
66.38142	1.2
66.44096	1.2
69.03413	4.7
69.37878	10.5
71.04984	57.2
73.02907	3.5
75.04473	6.3
81.03410	2.2
83.04971	7.4
85.02895	100.0
87.04445	2.3
91.05457	1.5
95.04928	1.5
97.02869	6.6
99.04415	1.9
103.03909	1.8
105.07036	1.5
109.02865	2.6
111.04440	4.7
119.08577	3.1
121.02805	2.1
124.07573	1.9
127.03899	5.9
129.05466	42.4
131.61903	1.3
136.07542	1.8
137.02362	2.9
145.04980	6.5
147.06505	28.8
149.02194	1.3
150.05672	1.1
153.01826	3.3
163.06039	2.1
164.07045	2.5
164.09169	4.9
184.47943	1.3
188.03749	4.6
213.05595	1.9
234.43611	1.2
241.04634	1.6
255.08490	1.8
287.05466	87.6
298.51758	1.3
303.04895	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	448.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
55.01855	4.1
55.05503	9.6
56.05030	18.4
57.03419	7.6
57.07092	2.0
58.06357	1.5
58.06595	16.5
60.04499	2.7
61.02907	4.2
62.99007	1.8
63.56818	1.8
67.05499	10.0
69.03422	22.2
69.07050	4.6
69.25568	14.2
69.25970	3.0
70.06563	5.9
71.04971	9.4
72.04512	2.5
73.02902	7.5
74.06060	5.2
79.05464	7.4
81.03397	7.7
81.07047	14.5
82.06558	6.0
83.04956	7.7
83.08614	8.0
84.04485	2.4
84.08124	6.8
85.02890	35.4
85.06530	4.2
86.06044	5.6
87.04462	4.3
89.43609	1.9
91.03935	2.7
91.05406	8.9
93.07011	10.8
94.06560	3.8
95.04957	11.9
95.08593	10.6
96.04489	4.0
96.08122	7.8
97.02894	15.6
97.06506	6.5
98.06025	7.2
98.09702	10.6
98.20779	4.4
99.04435	13.0
102.05550	2.1
105.06998	13.1
106.06567	16.1
107.04948	22.6
107.08592	18.1
108.08103	10.7
109.02856	7.3
109.06512	15.8
109.10147	18.2
110.06012	9.2
110.09685	4.2
111.04432	4.9
111.08102	2.9
114.05513	4.3
115.05458	2.3
117.06983	2.9
118.06515	8.6
119.08553	13.5
121.06493	2.6
121.10136	15.9
122.03206	1.8
122.06004	4.4
122.09614	4.5
123.04417	3.6
123.08036	13.5
123.11685	7.3
124.07626	2.1
124.11267	4.5
125.09606	5.5
126.05499	5.8
126.09154	2.9
127.03875	10.5
129.06975	1.9
130.06525	10.2
130.88942	1.7
131.08533	8.6
132.08090	2.8
133.02863	1.8
133.10117	16.5
134.05968	2.2
134.09637	2.4
135.04410	2.0
135.08020	5.9
135.11670	3.5
137.05972	4.2
137.09602	4.2
139.03885	8.1
140.07021	4.5
145.04944	4.4
145.06500	3.3
145.10088	7.1
147.08005	2.5
147.11650	7.3
148.07597	3.1
148.11162	7.8
149.09622	11.6
149.13182	2.6
151.07587	2.6
151.11166	3.9
153.09065	3.8
154.08624	3.0
157.04939	4.3
157.10138	2.3
158.75958	2.1
159.11617	4.1
159.30597	2.0
160.05074	2.0
161.13245	4.6
162.12744	2.7
163.11214	7.5
165.12788	3.9
166.12305	2.8
167.10654	4.1
168.06549	2.0
168.10220	2.4
173.13226	5.0
174.12721	2.2
175.07501	2.5
175.11186	4.2
177.12753	2.1
186.07599	8.5
187.05952	4.2
188.14337	2.6
189.12733	4.2
191.14284	10.1
192.13828	4.3
204.08658	24.2
204.17616	2.1
206.10349	3.3
206.15305	3.1
206.91850	1.9
207.13766	6.0
209.09766	2.0
209.15402	8.8
222.09789	2.5
224.16447	2.3
225.14873	3.5
232.09631	2.9
232.16904	10.1
233.15393	4.3
243.08653	2.3
250.10748	8.1
250.17969	34.0
251.16318	10.1
252.19586	5.9
268.11771	5.5
268.19046	39.3
269.11716	10.4
269.17499	5.7
286.14542	8.6
286.20090	28.1
287.05374	12.3
296.25253	1.9
412.23337	4.9
430.24335	69.1
431.25110	3.3
448.19159	12.8
448.25348	100.0
449.25470	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	448.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.4
55.01842	2.2
55.05500	6.0
56.05033	13.4
57.03423	5.0
58.06594	14.4
59.05004	1.6
60.04523	3.0
61.02905	2.9
61.36081	1.2
67.05501	6.8
68.05020	1.9
69.03424	17.4
69.07054	5.5
69.17533	9.6
69.17956	6.0
70.06572	3.1
71.04978	6.4
72.04501	3.2
73.02911	3.6
73.82127	1.2
74.06069	4.4
76.04008	1.5
76.07599	1.8
79.05486	5.4
79.11002	1.3
79.89555	1.2
80.05003	1.5
81.03410	4.9
81.07045	11.4
82.06565	6.3
83.04971	4.9
83.08607	7.3
84.04494	4.6
84.08121	5.4
85.02423	2.2
85.02900	24.1
85.06535	3.4
86.06075	2.6
87.04450	3.1
87.80560	1.3
88.95190	1.3
91.05464	5.3
93.07043	8.6
94.06557	3.1
95.04977	8.7
95.08594	8.2
96.08106	4.3
97.02881	12.6
97.06508	4.1
98.06040	4.5
98.09669	7.9
98.21566	2.6
99.04443	9.0
100.07608	2.5
105.07030	10.1
107.04959	9.1
107.08577	15.0
108.08132	9.4
109.02861	4.6
109.06520	11.1
109.10153	13.8
110.06025	7.8
110.09675	1.7
111.04422	4.0
111.08068	2.9
114.05536	3.2
117.06993	2.1
119.08562	11.0
120.08087	1.4
121.06500	1.8
121.10138	14.1
122.06006	3.6
122.09642	5.6
123.04414	2.9
123.08041	7.1
123.11689	4.3
124.11194	4.2
125.09607	3.8
126.05580	3.1
126.09119	3.0
127.03899	6.7
131.08557	4.6
133.10132	9.2
134.09622	2.3
135.08035	3.7
135.11691	3.2
136.11194	2.0
137.02399	1.3
137.05981	3.3
137.09598	2.5
139.03880	5.5
140.07063	2.0
145.04922	3.0
145.10112	6.0
147.08020	1.7
147.11682	6.7
148.11162	4.9
149.09637	7.9
149.13246	3.6
150.12738	1.8
151.03857	2.9
151.11185	4.7
153.09094	4.1
154.08641	3.0
155.07085	1.8
157.04939	3.7
157.10123	2.8
158.10841	1.6
159.10448	1.5
159.11691	1.6
161.13255	2.5
162.12764	2.4
163.11150	5.2
163.14720	1.7
165.12726	2.6
166.08759	1.7
167.07062	1.7
167.10684	2.0
167.14249	2.2
168.10191	2.3
171.11659	2.0
173.13263	6.6
175.11176	3.9
176.10704	1.6
177.12827	2.1
183.06567	1.7
186.07626	4.7
187.05946	4.4
188.03813	2.3
188.14333	2.5
189.12764	4.0
190.15868	1.8
191.14355	8.2
192.13913	3.3
193.12204	3.3
204.08659	24.3
206.15480	3.2
207.13805	4.8
208.17026	2.2
209.15321	9.7
222.09627	2.8
225.07564	1.8
225.14867	4.2
232.16888	7.9
233.15298	2.1
250.18034	25.1
251.16458	6.2
252.19649	4.6
268.19070	30.7
269.11716	1.8
269.17422	3.0
270.20642	2.3
286.14328	3.6
286.17029	1.8
286.20132	27.5
287.05450	7.6
412.23325	5.9
430.24335	49.9
430.30237	2.5
448.19543	10.5
448.25348	100.0
449.25687	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24473	12.6
55.05507	28.2
57.07085	16.0
61.90070	14.2
64.17767	11.8
65.85480	13.2
67.05489	50.4
69.07047	29.0
70.06570	14.5
70.44509	12.9
70.88081	34.4
79.05478	38.2
81.07036	73.8
82.49990	13.7
83.04975	100.0
83.08627	21.3
83.09197	12.8
90.76511	14.8
91.05466	43.7
93.07009	36.2
95.08593	70.0
105.07001	48.1
106.46548	12.9
107.08575	44.8
109.06494	16.6
109.10127	26.7
119.08544	42.0
120.61799	11.4
121.10145	19.0
123.11687	68.3
133.10074	29.0
135.11661	30.5
137.13260	68.2
145.10088	30.1
151.07509	25.4
159.11621	19.0
161.13310	20.6
163.07530	19.0
165.09093	26.2
169.42517	11.9
173.13229	11.8
175.03873	28.7
175.14783	26.0
177.16362	25.4
189.08977	14.7
191.10609	18.3
195.10175	13.6
201.16420	31.6
207.10223	17.3
219.06529	47.5
219.17300	63.9
256.26276	32.1
287.05493	41.6
377.24786	15.1
433.48788	15.1
448.25058	15.7
448.30508	38.8
449.28833	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	448.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	28.2
57.03431	16.8
57.07103	10.9
67.05502	65.1
69.07053	26.9
71.52963	24.0
79.05509	53.6
81.07056	100.0
82.07375	12.2
83.05019	13.0
83.08629	18.2
91.05479	34.7
93.07025	50.7
95.04950	11.0
95.08614	52.8
95.65013	9.8
96.08936	14.3
97.06528	13.6
105.07042	19.0
107.08588	44.3
109.10159	15.9
113.00005	55.7
120.08929	12.8
121.10155	19.1
123.11670	22.3
133.10107	16.3
135.11671	23.6
149.13210	20.2
151.07523	27.7
159.68623	10.5
163.07439	12.0
165.09125	15.9
175.03868	15.5
183.03194	9.9
201.16237	13.3
219.06438	32.1
219.17424	23.7
256.26425	19.7
287.05554	43.5
336.25964	66.6
352.81055	13.3
448.25082	11.7
448.30701	34.6
449.28757	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0865
Annotation	XL147
Peak:m/z	Relative Intensity
52.44325	0.3
53.03923	0.4
61.79885	0.3
67.05476	0.9
69.03412	0.8
69.07047	0.4
69.82832	1.3
71.04926	0.3
75.12363	0.3
78.15663	0.3
79.05453	0.3
81.03397	0.4
81.07045	1.4
85.02863	0.8
87.73149	0.3
91.05466	1.3
93.07015	1.0
95.04936	0.9
95.08578	1.2
96.99349	0.3
97.02877	0.5
97.06496	0.4
97.10143	0.4
105.07005	1.0
107.08580	0.7
109.02843	0.4
109.06525	0.3
109.10152	0.5
111.04410	0.3
115.35848	0.3
119.04942	1.6
119.08540	0.6
121.10117	0.9
123.03578	0.5
123.04420	9.6
123.11691	0.3
129.06970	0.5
131.08572	0.4
133.10129	0.3
135.11748	0.4
137.05949	0.8
139.05400	0.5
141.06953	0.3
147.04395	3.0
147.11667	0.7
149.13191	0.4
151.07526	0.4
159.11618	0.3
165.05411	0.8
167.04868	1.0
169.06377	0.4
171.04408	0.4
185.05943	0.9
195.04390	1.3
197.05969	0.6
199.03746	0.4
213.05443	10.6
223.03885	1.1
227.03400	0.6
227.07069	0.5
241.04974	5.9
251.03326	0.5
253.04848	0.6
255.06546	0.4
257.04285	0.4
269.04431	15.7
270.05075	1.5
281.04614	0.4
283.06082	0.5
285.03958	1.9
287.05530	2.7
293.04376	0.7
297.03915	100.0
298.04370	3.9
303.04971	0.7
309.04013	0.6
311.05511	3.6
323.99170	0.3
327.04965	4.8
339.04901	1.7
385.07138	0.3
431.07309	0.4
432.95779	0.3
449.08633	50.8
449.29013	0.8
450.08853	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1073
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03928	0.9
54.90834	0.2
55.01855	0.5
57.03416	1.0
61.02917	1.5
65.03932	0.3
68.99764	0.9
69.03419	3.3
69.55585	0.6
69.56001	1.2
71.04971	0.5
73.02908	0.5
79.05485	0.5
81.03394	2.1
81.07029	0.4
85.02891	9.8
87.04424	0.7
91.03945	0.5
91.05446	0.4
93.07021	0.4
95.04925	0.3
95.08588	0.4
96.47366	0.2
97.02877	3.4
97.06548	0.2
99.04434	0.5
103.05467	0.2
105.03405	0.3
107.04900	0.6
109.02871	1.6
109.03522	0.2
111.00795	0.7
116.98541	0.3
121.02854	4.1
121.10135	0.3
122.05994	0.3
123.04423	0.3
123.08078	0.3
124.07579	0.4
127.03888	1.3
133.02789	0.6
135.04399	0.4
136.07564	3.4
137.02296	1.6
137.05951	0.5
145.04938	1.7
145.06474	0.3
147.04349	1.0
152.07037	1.2
153.01785	5.5
155.79211	0.2
157.06467	0.6
161.05899	0.3
164.07045	3.8
164.08385	0.4
165.01810	2.2
167.07018	0.3
171.04367	0.3
177.05461	0.4
181.05115	0.5
183.02850	0.8
185.05981	0.6
197.06078	0.3
213.05428	1.2
231.06514	0.8
234.99007	0.4
239.64516	0.3
241.04886	1.3
258.05231	1.0
259.05975	2.4
286.05002	0.3
287.05457	100.0
288.05777	4.3
299.05420	0.7
303.04929	0.7
329.06561	0.5
381.32892	0.3
449.14307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63061	0.1
53.03947	0.3
55.01853	0.1
56.37770	0.2
57.03413	0.6
61.02924	5.3
67.01844	0.2
68.99791	0.7
69.03414	1.1
69.40790	0.6
69.41215	0.8
71.04980	0.1
73.02917	1.1
76.76080	0.1
79.05458	0.2
81.03406	0.6
85.02898	6.0
87.04449	0.3
91.03944	2.6
91.05478	0.2
95.04938	0.2
97.02890	2.5
98.20592	0.2
98.59113	0.2
99.04459	0.2
101.89857	0.2
105.03402	0.3
107.04942	0.5
109.02859	0.7
111.00768	0.9
111.04403	0.2
115.03902	0.3
121.02856	3.2
127.03896	1.0
129.06892	0.2
133.02815	0.6
135.04381	0.3
137.02354	1.0
137.05948	0.2
140.93396	0.2
145.04938	0.9
145.06421	0.2
147.04381	1.0
153.01822	5.5
154.18188	0.2
157.06512	0.6
161.05914	0.3
165.01825	1.9
171.04396	0.4
183.02902	0.9
185.05946	0.7
213.05482	1.8
229.05092	0.3
231.06525	0.9
241.04964	0.9
243.06453	0.3
243.64919	0.2
244.03583	0.2
258.05273	1.6
259.05984	1.2
269.04446	0.4
287.05478	100.0
288.05811	3.3
288.09097	0.1
299.05600	0.9
322.56027	0.2
325.07498	0.2
329.06525	0.5
353.06528	0.5
408.83121	0.2
431.09937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
51.77682	0.1
52.80822	0.1
53.03932	0.8
55.01876	0.7
57.03426	0.9
61.02922	1.6
63.54323	0.2
64.15959	0.1
67.01833	0.2
68.99456	0.2
68.99779	0.9
69.03421	4.2
69.70092	0.4
69.70525	0.5
69.77911	0.1
71.04969	0.4
73.02889	0.6
73.46127	0.1
79.05462	0.2
79.64774	0.1
81.03414	2.1
83.01345	0.3
85.02896	9.9
87.04454	0.4
91.03933	0.5
91.68246	0.1
95.04990	0.2
97.02296	0.2
97.02885	3.4
99.04430	0.8
105.03363	0.4
107.04926	0.6
109.02859	1.1
111.00809	1.2
111.04405	0.2
121.02852	4.5
127.03896	1.5
129.06995	0.2
133.02844	0.5
137.02328	1.6
141.06995	0.2
145.04951	1.6
147.04384	0.8
149.02295	0.2
153.01811	6.8
157.06456	0.9
161.05968	0.2
165.01813	2.6
169.06398	0.2
171.04378	0.5
183.02901	1.2
185.05962	0.7
189.05464	0.2
203.03233	0.2
213.05444	2.2
229.04848	0.2
231.06520	1.1
241.04881	1.2
243.06549	0.2
258.05237	1.6
259.05927	0.6
269.04333	0.3
287.05466	100.0
288.05789	3.7
288.08838	0.3
299.05679	0.4
329.06604	0.3
353.06494	0.2
381.34998	0.1
454.40128	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03947	0.6
55.01867	0.7
57.03432	0.9
61.02914	0.7
68.99776	0.9
69.03424	3.1
69.70605	3.7
71.04977	1.2
73.02927	0.6
75.82123	0.5
81.03400	1.3
84.83827	0.6
85.02436	0.8
85.02898	10.3
97.02901	2.6
98.21490	1.1
109.02888	1.1
111.00735	0.6
121.02844	3.2
127.03923	1.6
137.02275	1.3
145.04930	1.5
152.04761	0.6
153.01822	3.7
165.01808	2.0
173.73466	0.6
181.39043	0.6
183.02925	0.5
202.51349	0.5
213.05481	1.5
241.04997	0.6
258.05325	0.8
287.05475	100.0
288.05746	3.3
303.04874	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	449.1074
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
51.67194	0.5
51.86179	0.4
57.03410	0.7
59.30320	0.5
59.30640	0.4
61.02920	5.2
65.00150	0.4
68.72828	0.5
68.99783	0.8
69.03430	0.9
69.81796	1.6
69.82209	1.5
70.00897	0.4
73.02902	1.0
84.25618	0.6
85.02898	4.2
91.03950	3.6
97.02886	2.2
98.21478	0.8
105.03427	0.4
111.00776	0.5
121.02899	2.8
127.03906	0.8
129.07072	0.5
147.04401	0.5
153.01779	4.2
157.06444	0.7
165.01842	0.9
169.13211	0.5
183.02878	1.4
213.05479	1.6
241.04852	0.8
258.05264	1.2
287.05481	100.0
288.05884	5.1
393.46689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1072
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
57.03433	9.5
57.78259	0.8
68.99741	0.8
71.04980	1.8
71.37238	1.2
71.37574	0.7
73.02904	7.3
75.04476	22.2
85.02896	13.0
93.03364	1.1
101.17593	0.7
109.02861	1.4
111.00749	1.9
121.02847	2.3
121.48345	0.8
129.05420	1.1
137.02351	3.8
144.03091	0.7
153.01817	6.6
165.01843	3.0
166.02496	0.8
183.02769	1.1
188.74551	0.7
199.23274	0.7
201.05434	2.6
229.04900	5.3
246.05251	0.7
257.04343	4.0
274.04761	1.9
285.03879	2.0
287.05478	6.6
302.04239	4.5
303.04962	100.0
304.05322	3.2
317.06519	32.9
318.06750	2.1
344.50537	0.9
377.76059	0.8
471.94653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1072
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03958	1.1
55.05500	1.5
56.16319	1.1
57.03433	11.5
65.57588	1.0
67.05494	1.5
69.03413	1.5
69.22814	1.1
70.15221	3.0
70.15638	2.5
71.04984	12.0
73.02898	4.1
75.04466	18.3
81.03374	1.3
81.07035	1.4
83.04957	2.8
85.02892	55.1
87.04440	1.8
97.02851	1.4
100.38748	1.0
111.04412	1.8
121.02855	3.5
129.05493	5.6
137.02316	3.3
147.06511	4.0
153.01791	5.2
161.05988	1.6
165.01778	2.0
167.40196	1.1
177.09108	1.1
188.34332	1.1
201.05409	2.2
229.04912	4.4
257.04404	4.1
274.04904	1.5
278.69562	1.1
285.03864	2.9
287.05392	10.0
303.04935	100.0
304.05347	4.3
357.13431	1.9
440.47256	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03927	0.5
56.22811	0.3
57.03426	3.1
62.37432	0.3
65.03932	0.4
67.05495	0.4
68.99781	0.9
69.03411	1.3
69.79570	0.3
70.00571	1.7
71.04990	25.2
73.02908	0.8
75.04456	0.8
81.03394	0.5
81.07040	0.5
83.04979	0.8
84.14068	0.4
85.02898	23.9
87.04461	0.7
93.07031	0.6
95.04962	0.4
97.02872	0.7
109.02858	0.8
109.10155	0.5
111.00799	0.8
111.04414	0.4
121.02845	1.8
123.04411	0.4
127.03891	0.4
129.05470	5.9
135.04446	0.4
136.07547	1.7
137.02348	4.2
147.06528	1.0
149.02275	0.4
151.03990	0.3
153.01820	5.7
163.03923	0.6
164.07050	1.2
165.01813	1.5
166.02663	0.4
173.05981	0.8
183.02873	1.2
187.03885	0.5
195.02736	0.4
201.05449	2.0
229.04919	5.4
231.06586	0.3
247.06099	1.0
257.04355	2.9
274.04724	1.1
281.98813	0.4
285.03903	1.3
287.05487	7.6
287.13736	0.4
288.05811	0.4
303.04971	100.0
304.05276	2.9
315.04907	1.1
327.04926	0.3
345.06079	1.7
369.05890	0.4
395.07501	0.6
413.08630	1.0
449.10675	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66562	0.5
51.70381	0.5
53.03925	0.6
54.59035	0.5
55.01863	0.8
55.05495	1.0
55.67205	0.5
57.03422	0.8
59.85372	0.4
61.02919	0.6
65.03928	1.2
67.05476	1.3
69.03409	1.9
69.07038	0.9
69.76246	3.3
71.04973	1.2
73.02893	0.7
75.04452	0.7
75.25886	0.5
79.05481	1.2
81.03407	3.1
81.07047	2.0
83.04974	0.8
83.08625	0.6
85.02894	4.2
91.05466	8.6
93.07032	1.1
95.04972	0.6
95.08582	0.9
97.02873	0.8
98.21488	0.9
99.04479	0.8
105.07022	1.3
107.04932	1.1
107.08565	1.1
109.02857	2.8
109.06552	0.8
109.10149	0.7
117.07056	0.5
119.04932	21.0
119.08593	0.8
121.02871	1.1
121.10133	1.0
123.04413	1.4
123.08051	0.9
127.03934	0.8
131.08549	0.8
132.83058	0.5
133.10138	0.8
135.04410	0.6
135.11705	0.6
137.05948	2.6
141.05472	3.6
147.04395	100.0
148.04794	1.4
152.78481	0.5
153.01834	1.2
153.05391	1.2
157.10226	0.5
159.11678	0.8
165.01747	0.6
165.05466	4.8
167.07094	0.9
177.05405	1.3
183.06493	4.0
193.05057	0.7
203.07047	1.2
207.06532	1.8
231.06506	3.2
249.07704	1.8
287.05490	18.6
288.05704	0.7
291.08505	3.2
303.04971	4.0
304.05215	0.7
305.05560	0.9
309.09625	1.5
317.06470	1.5
449.29068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47150	0.7
55.05496	3.3
55.58641	0.8
57.03426	2.9
57.07061	2.9
67.05502	6.5
69.07062	12.6
70.64644	3.3
71.08630	1.0
78.11191	0.7
79.05491	4.4
81.07049	21.8
83.08612	2.3
91.05469	3.5
93.07019	2.8
94.87645	0.9
95.04923	1.1
95.08594	10.1
97.10155	1.2
98.98455	2.8
105.07047	1.4
107.04933	1.9
107.08575	2.1
109.10142	3.7
112.99989	3.9
113.44860	0.8
116.06233	0.9
121.06469	1.2
123.11700	2.5
127.07504	1.1
128.06190	2.0
129.06987	2.7
131.08557	2.3
135.08022	1.0
135.11696	1.1
136.05180	1.3
136.99966	2.8
137.05998	1.9
137.13257	1.2
144.05711	2.1
145.06511	2.0
147.08092	1.2
151.07545	8.6
155.01035	3.2
158.07275	1.6
159.08037	17.8
159.09273	1.6
169.02592	2.0
174.06755	4.0
175.07549	2.6
177.09174	0.9
187.07527	17.2
188.08263	1.6
189.09084	13.3
193.02602	1.2
201.09087	2.0
202.09825	1.2
211.11084	1.0
214.31871	1.0
215.10501	1.1
223.11121	2.4
227.10634	1.5
229.12129	1.3
235.07524	1.2
236.08435	1.1
239.10675	1.0
241.12251	0.9
249.09183	1.2
250.09717	1.5
251.06873	1.1
251.10692	3.6
252.08015	0.8
252.11462	1.4
255.13715	0.9
261.09012	0.9
262.09912	1.5
263.10672	3.7
264.07794	2.9
265.08575	2.2
265.12180	1.4
266.09314	1.2
266.13028	2.0
267.09998	4.2
268.10870	1.8
279.10141	26.0
280.10870	1.9
281.11646	2.4
282.12616	4.4
283.13470	1.2
287.05502	2.0
293.11743	3.8
294.12476	30.8
295.09637	4.8
295.13150	2.4
297.11319	1.9
297.14859	3.2
310.11908	6.7
311.12827	4.7
311.20020	3.1
312.13336	1.2
313.27380	2.2
325.14310	93.6
326.14725	2.8
337.27368	2.8
365.17450	4.9
367.19141	1.4
379.18939	2.0
380.19623	1.1
446.81372	0.9
449.26801	100.0
450.26840	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	449.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20531	3.7
55.05513	18.0
57.03437	24.3
57.07068	14.1
57.42334	3.9
64.91630	3.5
67.05492	58.8
69.07051	34.9
71.08611	7.1
71.22189	10.6
75.32662	3.9
79.05480	15.9
81.07047	61.4
83.08608	16.6
85.10168	5.1
88.22051	3.5
91.05472	9.5
93.07034	16.9
95.04993	4.8
95.08590	45.4
97.10148	4.5
98.98465	21.9
105.07037	8.9
107.08589	12.5
109.10135	18.8
112.99994	100.0
115.33477	3.9
119.08577	8.9
119.77215	4.2
121.06520	6.8
121.10127	9.3
123.11681	9.4
129.05496	4.2
133.10133	9.0
135.11621	5.5
136.99957	20.4
151.07530	17.5
152.97458	3.4
155.00975	28.9
159.08008	7.4
161.09650	4.2
169.02567	25.7
175.14755	4.3
179.96344	4.1
185.67619	3.8
187.03577	7.7
187.07524	7.9
189.09114	3.9
202.19394	4.1
207.76706	4.2
211.03696	5.3
215.10526	4.7
263.23639	5.9
273.62485	3.8
279.10361	5.6
287.05414	8.3
294.12549	8.4
313.27472	23.5
325.14166	22.5
337.27328	78.6
338.27628	4.6
449.26743	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2681
Annotation	Mappain
Peak:m/z	Relative Intensity
53.03944	1.2
55.05485	1.5
56.04783	0.8
57.07061	1.3
64.73223	0.8
67.05491	4.0
68.56219	0.8
69.07062	11.0
70.22175	3.3
70.22504	0.9
79.05468	3.7
81.06591	1.8
81.07047	25.0
82.27645	0.7
91.05466	3.9
93.07014	2.3
95.08592	9.6
105.07025	1.1
107.04939	0.9
108.09211	0.7
109.06489	1.1
109.10159	1.6
111.97610	0.8
116.06163	1.1
119.04906	1.2
119.08540	1.0
121.06470	1.6
123.11685	2.6
128.06206	2.1
129.07007	1.8
131.08531	3.4
136.05185	1.4
137.05916	2.3
144.05728	4.2
145.06438	2.4
147.07922	0.9
151.07512	10.0
158.07300	1.7
159.08037	19.2
162.95117	1.1
163.07452	0.8
173.05945	1.9
174.06741	3.9
175.07547	3.1
187.07520	21.9
188.08154	1.3
189.09077	16.9
201.09137	2.2
202.09894	1.7
207.08041	1.0
208.08832	1.2
214.51506	0.9
219.07954	1.5
221.09538	1.1
223.11137	0.8
225.08987	1.9
227.10605	2.1
229.12209	2.4
233.09529	0.9
235.07603	1.9
237.09087	1.1
239.10648	2.0
240.11092	1.2
243.13809	1.3
249.09094	1.5
250.09766	2.1
251.10722	4.6
253.08430	0.9
261.09171	1.2
262.09921	1.4
263.07422	1.2
263.10696	3.7
264.07846	3.0
265.08606	2.9
265.12234	1.6
266.13089	2.6
267.10110	5.9
277.08719	1.1
278.09311	2.2
279.10132	31.1
280.10754	2.4
281.11768	2.2
282.12430	4.2
283.13297	1.5
287.05698	1.2
293.11792	4.0
294.12460	31.2
295.09610	6.5
295.13162	3.5
297.11154	2.4
297.14816	4.9
310.11890	5.9
311.12698	5.3
311.19980	4.0
312.13428	2.4
325.14310	100.0
326.14633	3.4
339.15768	1.0
365.17267	5.1
367.18906	1.6
434.24261	1.0
449.26794	94.8
450.27228	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	449.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	13.0
55.01854	7.4
55.05504	39.9
55.90876	2.7
57.03429	10.3
57.07061	12.2
61.02911	9.7
63.09762	3.1
65.03927	5.3
67.05490	29.2
69.03076	4.3
69.03423	49.2
69.07058	75.2
69.69843	2.7
71.04977	10.1
71.52703	6.2
73.02905	8.4
76.43281	2.8
77.82957	3.4
79.05478	33.8
81.03402	32.1
81.07039	68.3
83.04966	14.6
83.08614	15.4
85.02895	55.0
85.06535	7.3
87.04450	5.2
91.05458	34.9
93.07033	89.6
93.07625	5.8
95.04959	23.4
95.08590	59.0
97.02898	26.3
97.06509	14.5
97.10149	21.8
99.04453	12.2
99.08131	3.5
103.05472	3.4
103.67134	3.0
105.07021	62.8
107.04951	6.2
107.08581	83.2
109.02856	21.2
109.06503	13.1
109.10143	44.9
111.04429	7.4
111.08063	12.3
111.11766	3.3
112.21807	2.8
115.03943	4.0
115.05467	3.0
117.06985	11.2
119.04903	3.5
119.08574	52.2
121.02884	4.2
121.06481	10.9
121.10123	41.4
121.97459	2.9
123.04410	10.0
123.08067	10.6
123.11676	26.5
125.09612	6.8
125.13244	7.1
127.03904	22.2
127.07558	3.4
129.06982	9.9
130.07742	4.2
131.08569	21.4
133.10120	40.7
135.08040	7.3
135.11670	40.9
136.07596	7.7
137.05965	10.3
137.09596	3.8
137.13232	5.5
139.11189	7.4
142.07761	8.0
143.08565	12.3
143.10690	3.1
145.04922	7.2
145.06432	5.0
145.10107	33.1
147.04341	8.9
147.08017	5.5
147.11656	31.9
149.09578	7.9
149.13258	16.9
151.11203	4.2
153.01730	4.2
153.12717	13.0
155.08539	4.7
156.09348	8.7
157.10121	28.2
159.11676	34.2
161.09625	6.8
161.13245	26.0
163.11145	9.9
163.14854	8.0
164.07097	7.9
165.09093	4.4
165.12808	3.7
170.10860	4.6
171.11681	31.1
173.09596	6.7
173.13255	21.6
175.11241	6.4
175.14807	13.8
177.12717	5.7
183.11630	5.1
185.13159	16.6
187.14763	15.8
189.12642	4.6
189.16338	12.5
197.13210	6.6
199.14798	13.4
200.15582	3.2
201.16345	11.3
203.17906	4.5
211.14731	9.9
213.05466	9.2
213.16350	16.8
215.17917	6.8
217.15869	4.7
226.17255	4.6
227.17941	10.5
229.19539	4.7
231.13799	3.7
231.17416	7.6
241.04880	5.5
243.21118	4.9
269.04446	12.3
269.22623	41.7
271.24173	8.1
287.05490	46.5
287.13739	4.6
287.23569	30.4
288.05829	3.7
297.03900	100.0
298.04404	9.0
305.24716	4.5
311.05328	3.1
327.05081	4.7
413.26859	9.2
431.27881	12.3
449.08603	45.4
449.28937	46.2
450.08792	6.0
450.29880	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	449.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.4
55.01853	6.8
55.05508	44.3
57.03428	4.4
57.07061	6.0
60.05500	1.8
65.03922	3.8
67.05137	2.5
67.05501	39.6
69.03426	45.7
69.07065	53.8
70.58508	6.5
71.04979	7.9
71.08604	1.9
73.02890	2.2
79.05484	33.5
81.02931	1.9
81.03413	71.9
81.07052	100.0
82.07359	1.8
83.04971	16.5
83.08618	16.2
85.02895	11.4
85.06528	5.0
85.24462	1.6
91.05472	34.5
93.07038	62.7
95.04971	15.4
95.08600	78.9
97.02906	12.8
97.06535	11.1
97.09623	2.8
97.10166	29.9
99.04431	12.5
99.08069	2.4
103.05450	3.9
105.06310	2.3
105.07024	50.9
107.04975	9.1
107.08584	54.1
109.02876	30.0
109.06489	10.9
109.10149	42.1
111.04444	18.4
111.08050	6.8
111.11707	8.6
115.05442	3.4
117.07015	9.2
119.04956	1.8
119.07798	3.3
119.08575	42.7
121.06484	11.5
121.10141	38.9
123.04419	6.4
123.08047	6.2
123.11699	23.3
125.09638	9.7
127.03912	20.5
127.11200	2.5
128.06166	4.0
129.06989	7.4
131.08553	20.2
133.06480	4.7
133.10130	31.9
135.08000	7.7
135.11688	24.5
137.05942	6.0
137.09592	6.1
137.13234	8.5
139.03894	10.9
139.07501	2.3
139.11165	10.7
141.06944	2.5
142.07794	3.4
143.08548	8.6
143.10582	2.4
145.06473	5.5
145.10100	22.9
147.08054	5.4
147.11676	29.5
149.09587	6.5
149.13249	29.2
151.07504	3.3
151.11159	7.0
153.12764	3.2
155.08568	3.8
157.10118	12.3
157.12238	2.8
159.08028	5.4
159.11684	24.8
161.05952	2.2
161.09578	5.7
161.13223	19.1
163.03876	6.2
163.07545	2.7
163.11163	8.4
163.14783	12.1
165.09062	3.8
165.12758	3.5
167.08437	2.2
169.10069	3.4
171.11638	10.8
173.09573	3.1
173.13263	12.6
175.07423	2.9
175.11234	4.0
175.14828	7.0
177.09056	2.5
177.12749	6.1
177.16393	4.0
179.14336	2.8
181.10123	3.5
183.11621	5.6
185.09654	2.7
185.13254	6.7
187.07407	2.8
187.11118	3.3
187.14822	7.6
189.09238	2.5
189.12712	3.0
189.16344	7.5
191.10712	2.5
191.14323	2.4
197.13220	6.5
199.14726	2.7
201.09042	3.3
201.12680	3.0
201.16380	3.1
203.14349	3.2
203.17940	3.0
209.13293	2.3
209.15253	2.4
211.14783	3.5
213.12820	2.1
213.16307	3.6
215.14270	2.7
223.14699	2.5
227.14215	3.7
231.13771	3.7
231.17323	2.3
243.17218	2.3
250.94118	1.8
255.14063	3.4
255.17451	2.2
259.24237	2.9
269.22714	2.3
275.23676	2.9
277.25195	3.0
285.22067	4.0
287.05460	7.3
287.23709	8.7
297.03854	2.5
303.23087	3.9
305.24707	5.9
317.24594	3.0
329.24619	4.1
333.24261	2.0
367.26007	3.4
385.27219	4.0
389.26971	4.2
395.25729	4.3
403.28156	2.7
413.26740	16.7
419.28317	3.1
431.27872	22.6
449.19479	2.7
449.28955	60.4
450.29263	3.1
452.14548	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.2
57.07061	8.9
63.41380	4.4
64.45259	4.7
67.05527	6.6
69.07054	22.7
70.12471	12.4
70.12860	12.2
73.16470	5.0
78.18523	4.6
81.07056	17.4
83.08607	15.5
95.08598	17.0
96.55685	4.8
97.10159	17.7
103.06185	5.0
109.10154	9.9
111.11684	7.6
123.11715	8.9
125.06055	5.1
138.05525	6.3
139.07504	15.5
151.07538	33.0
155.06990	6.5
167.07025	100.0
175.37263	5.6
177.09094	13.1
191.10649	11.2
205.12224	14.4
211.14381	8.5
431.35370	6.8
449.35953	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	449.3621
Annotation	Numersterol A
Peak:m/z	Relative Intensity
55.05492	25.9
57.07067	51.7
67.05485	24.0
69.07061	61.4
69.19677	40.1
69.20103	26.9
71.08617	39.1
79.05497	16.3
81.07046	37.4
83.08604	33.2
85.10171	21.6
91.05476	11.6
93.07021	17.0
95.04917	7.9
95.08593	46.0
97.06490	6.6
97.10163	20.2
99.04443	47.4
105.07024	20.6
107.08562	18.2
109.06512	16.8
109.10145	22.9
111.04416	42.2
111.08054	6.4
111.11674	10.2
113.05989	22.6
119.08563	15.5
121.10098	8.6
123.04439	6.5
123.08056	13.0
123.11732	8.6
125.05991	73.3
133.10132	11.0
137.05966	12.6
145.10097	6.6
149.05829	7.3
151.03850	9.0
151.07498	9.7
153.05434	12.1
159.11604	7.9
163.07526	23.1
165.05449	10.9
165.09186	7.0
169.04866	6.7
173.41943	6.6
179.10597	6.1
183.06483	14.1
188.75839	5.7
301.28827	8.8
385.34717	8.9
389.34479	8.8
403.35605	95.9
413.34122	18.0
431.35199	87.9
432.35147	6.3
449.36166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	18.9
56.96552	23.5
58.06594	14.8
61.02903	15.0
69.03407	48.9
71.52480	21.2
81.03391	25.5
85.02906	82.5
91.05430	19.2
97.02894	35.4
98.97549	25.5
103.05501	19.7
106.02898	37.9
107.04956	18.2
109.02823	27.0
121.06481	26.0
123.04391	63.7
124.03957	90.9
127.03888	38.2
133.02841	34.2
134.24757	18.8
135.04384	40.6
137.05908	40.3
139.03944	21.9
140.07054	17.1
147.04422	38.8
149.05908	23.9
161.05995	37.1
163.03947	45.3
164.07089	59.2
165.05507	24.5
167.07030	73.2
177.00641	14.4
177.05435	74.8
197.08075	67.3
209.08035	100.0
227.09102	59.7
237.02843	15.8
246.57242	35.9
252.08412	14.5
259.06189	16.7
268.08182	56.1
313.16074	19.1
393.00098	15.6
414.73572	18.8
418.03299	16.5
441.63745	20.0
450.17114	59.8
451.18118	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	450.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.01873	12.2
56.91152	2.4
57.03429	16.6
61.02934	12.4
67.56553	2.5
68.51997	2.9
68.99808	3.0
69.03426	38.7
70.33413	2.2
71.01337	2.8
71.04998	4.0
71.52307	2.8
73.02911	60.0
79.05508	3.2
81.03416	12.6
85.02899	100.0
87.04470	5.9
91.03919	6.1
91.05504	3.0
93.07037	4.7
95.04961	3.0
97.02289	4.3
97.02887	62.9
98.06022	3.0
99.04476	3.7
103.03937	4.1
105.07034	15.8
107.04993	3.8
109.02882	8.9
112.97826	2.4
115.03911	18.1
116.93129	2.5
120.42388	2.4
121.02881	5.2
121.06519	10.9
121.10107	3.3
123.04437	6.0
126.51239	2.3
127.03904	30.6
133.04948	41.6
135.04411	4.8
137.02342	4.8
137.05983	17.0
139.07555	4.5
145.04947	45.0
147.04453	4.2
149.05992	2.8
151.03938	3.6
153.01830	6.8
163.03911	5.2
163.06047	19.7
163.07329	4.1
170.02719	4.0
188.03758	49.0
193.04991	2.7
219.10248	4.3
223.05963	3.5
241.07025	3.6
253.14400	3.1
259.05698	2.9
259.08163	9.2
287.05499	45.1
288.05826	80.3
289.06384	5.4
314.07013	8.1
328.73969	2.9
328.98785	2.4
369.40256	2.8
389.40674	2.6
405.05725	2.4
450.10065	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	450.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01860	0.4
57.03420	0.4
60.04544	0.3
61.02920	0.7
64.17558	0.3
67.05505	0.6
69.03416	1.4
70.32404	1.3
71.01331	0.3
73.02903	3.0
78.04708	0.5
80.54440	0.3
81.03375	0.6
81.07040	0.4
84.21790	0.4
85.02883	1.3
86.06065	0.8
87.04492	0.5
91.05476	1.8
93.07046	0.5
95.04971	1.3
97.02907	0.8
97.44738	0.3
98.20912	0.4
103.03962	0.5
107.04957	0.6
108.04449	0.4
109.02876	0.7
115.03931	0.4
119.08538	0.4
121.06494	100.0
122.06838	1.4
123.04430	0.9
126.05539	0.7
127.03882	0.5
130.08589	0.5
130.87637	0.5
132.53473	0.3
135.04401	0.8
137.05960	1.0
139.03909	0.4
140.87396	0.3
151.03908	0.3
153.01813	0.5
163.03902	0.8
177.28659	0.3
188.03786	0.4
287.05554	3.0
288.05829	7.4
307.21875	0.4
404.21484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
55.01864	11.7
57.03426	19.6
59.05013	2.4
61.02925	12.3
65.03995	1.7
67.05476	2.7
69.03423	29.2
69.07069	2.3
71.01346	2.4
71.04991	4.9
71.52423	2.4
73.02908	57.8
79.05478	2.3
81.03404	8.4
81.07065	2.8
83.04951	2.8
85.02897	100.0
87.04455	6.3
88.03976	3.9
90.66516	1.7
91.03948	7.2
91.05473	5.5
93.07019	4.8
93.22842	1.8
95.04955	1.9
95.08601	2.1
96.44707	1.6
97.02879	63.0
97.27354	2.0
99.04430	4.6
105.07020	16.0
107.04963	4.4
107.08585	1.8
109.02878	8.4
111.04445	4.6
112.02197	1.8
115.03925	31.6
117.07050	1.8
119.04922	2.5
121.02843	4.3
121.06466	14.4
123.04422	7.0
127.03895	32.4
133.04958	37.5
135.04370	6.8
137.02304	3.0
137.05977	11.9
139.03932	3.0
139.07533	7.2
145.04942	48.0
147.04405	3.8
147.07967	2.1
149.05943	2.4
151.03905	3.9
153.01846	5.4
154.02153	2.8
157.06491	1.9
163.03854	7.2
163.06013	20.9
163.07455	3.2
165.01868	2.4
167.07056	2.2
170.02663	2.3
175.07509	2.2
180.98225	2.2
181.04912	2.4
187.07483	2.5
188.03732	38.8
201.09062	5.0
211.64647	1.9
217.08690	2.5
219.10115	4.0
223.05963	3.3
241.07077	6.3
259.08173	7.9
274.25278	1.9
285.13425	2.9
287.05472	37.3
288.05811	91.6
289.06296	3.9
295.10306	2.4
300.05841	4.0
301.06659	4.5
314.06876	10.1
330.06839	4.3
368.19177	1.9
432.10297	3.5
432.23898	2.9
450.10660	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	450.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.51172	0.9
57.03434	1.5
59.27560	1.0
61.02914	1.5
62.45127	0.9
63.16156	1.0
69.03425	6.9
70.97087	2.2
70.97432	1.1
71.04989	17.6
71.32619	1.0
72.78876	0.9
73.02899	1.6
81.03413	5.3
85.02888	13.1
89.06026	100.0
91.05482	1.6
97.02885	22.2
99.04449	4.8
103.03980	1.3
103.63542	1.0
109.02885	8.0
115.52418	0.9
123.04396	1.4
124.02203	1.9
127.03914	12.2
135.06519	23.6
137.05984	5.6
142.03194	2.0
145.04959	9.1
147.04393	1.1
149.05899	1.1
151.07567	1.8
157.06674	0.9
161.05925	2.5
163.03923	1.5
163.20317	0.9
165.05482	4.1
175.06059	1.8
175.07520	1.9
179.07018	2.6
183.60635	1.1
188.03770	3.1
191.06963	1.3
203.07005	3.1
205.08701	1.2
215.09172	2.3
219.08635	3.2
221.08107	5.1
233.08028	1.3
243.08713	1.6
245.08142	7.3
261.09735	4.9
263.09146	9.5
279.10812	1.8
281.10159	1.9
300.47931	1.1
314.06601	1.1
348.73151	1.1
353.12259	4.8
397.14813	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71124	3.1
52.19746	2.9
52.67530	2.5
55.05513	34.2
57.07071	20.2
61.02630	2.9
62.70013	2.5
64.74858	2.6
66.68875	2.6
67.05505	28.5
69.07068	44.1
69.70896	14.3
71.08639	3.3
79.05500	12.0
81.07048	43.0
83.04967	9.8
83.08612	29.9
85.02903	6.8
85.06538	4.3
91.05486	21.5
93.07034	19.5
95.04971	2.7
95.08603	44.2
97.06521	6.3
97.10155	23.4
99.08073	5.1
105.07024	18.6
107.08618	14.1
109.06524	3.8
109.10165	22.9
111.11726	15.3
111.49649	3.1
119.08570	28.3
121.10157	16.4
123.08080	7.6
123.11703	8.5
125.13293	4.2
127.11221	3.9
129.04341	2.6
130.63733	2.8
131.08516	3.4
133.10114	34.7
135.11697	18.4
137.09631	12.0
137.13243	9.0
139.11157	4.3
147.11667	17.8
149.13280	5.2
151.11133	7.8
151.14816	5.0
153.12733	5.4
155.10608	3.4
161.13245	18.2
165.09251	3.8
165.12744	10.7
175.14807	8.7
179.14319	6.2
191.17960	5.9
193.19560	10.6
197.15384	4.1
217.19513	75.4
228.10947	4.9
235.20557	100.0
236.20912	4.9
253.21672	22.4
271.22647	30.2
276.28223	3.1
337.02286	4.7
338.02393	5.7
393.08591	5.1
394.08945	11.9
395.83124	3.2
440.44467	3.1
446.02417	3.1
450.37943	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	450.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.05507	36.2
57.03429	6.5
57.07072	15.5
67.05494	36.9
68.05840	4.1
69.03432	3.5
69.07063	42.5
71.08625	7.6
71.52695	3.2
79.05487	26.8
81.03405	6.5
81.07050	65.1
82.07401	5.4
83.04986	9.7
83.08615	28.4
85.02888	13.0
85.06544	4.3
85.10164	4.1
91.05476	27.3
91.51979	3.8
93.07034	28.1
95.08591	55.1
96.08877	3.7
97.06496	5.9
97.10150	28.9
101.06017	14.5
103.03941	5.1
105.07014	12.6
107.08595	28.5
108.08903	3.7
109.10142	21.5
111.11727	11.4
119.08575	20.3
121.10191	22.9
123.08025	6.3
123.11720	8.4
125.09632	6.7
133.10100	23.1
135.11668	26.3
137.09639	9.1
137.13243	9.9
139.11169	4.3
139.14822	4.9
145.09993	4.3
147.11708	19.0
149.13242	8.5
151.11157	10.6
151.14824	6.1
153.12737	6.2
157.12196	5.6
161.13263	16.3
163.24359	4.2
165.12743	7.2
169.12183	7.2
175.14873	5.1
179.14374	6.7
191.18051	4.2
193.19534	11.4
217.19482	72.6
235.20551	100.0
253.21718	18.7
271.22739	10.0
317.26822	3.5
450.20053	3.9
450.29285	9.8
451.09866	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52366	0.6
69.03445	0.9
69.89775	2.8
85.02887	2.1
119.01867	0.6
124.36703	0.6
127.03899	1.5
182.63799	0.7
184.01999	0.8
185.06754	0.7
203.86128	0.6
285.53937	0.7
291.09622	0.9
293.22839	0.7
391.03085	1.1
451.04831	100.0
451.11938	4.2
452.05273	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	451.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.05489	4.0
57.03395	4.6
58.06597	4.0
65.03912	4.0
67.05491	5.0
69.07042	6.7
69.54715	8.7
69.55124	19.0
70.06580	19.2
79.05468	9.0
81.03396	4.2
81.07037	5.2
85.02898	3.9
86.09684	8.6
91.05472	17.2
93.07013	8.2
95.04951	14.9
97.02906	4.3
103.05456	4.3
104.79221	3.8
105.06998	4.5
107.04935	20.1
107.05550	3.1
111.04454	5.4
119.04924	7.4
119.08577	4.2
121.02863	15.5
121.06474	11.5
121.10199	4.7
123.04394	37.2
126.05478	3.5
129.06967	12.1
131.04924	5.8
133.02792	3.4
133.06461	4.3
135.04391	8.8
136.07547	3.3
137.02292	3.7
137.05963	18.2
139.03885	5.7
140.04665	13.5
147.04398	76.8
147.08003	14.9
149.05945	18.2
153.05415	20.5
155.07050	22.4
157.06477	11.8
161.05923	15.3
163.03848	6.8
163.07524	4.8
164.07050	6.3
165.05444	7.3
166.06241	4.9
167.07034	100.0
168.07364	3.5
175.07542	60.8
175.22916	3.0
179.06979	3.5
180.72862	3.6
181.08580	45.8
191.08508	3.8
193.08609	12.1
195.08047	5.2
197.05965	3.8
205.08595	11.2
211.07402	4.2
223.07487	4.4
229.15501	6.2
237.08957	4.4
239.06825	4.4
253.08484	3.4
265.08612	5.5
269.07950	4.9
271.09613	5.7
285.07590	5.4
285.11060	3.6
287.05463	64.5
288.05923	9.0
289.06082	17.7
289.11774	4.1
297.11322	5.5
301.10794	15.1
303.12402	6.2
313.03540	5.8
313.07040	3.8
329.13852	29.0
331.04578	4.2
345.13388	4.8
346.13895	8.7
347.14877	83.1
348.15158	4.6
356.44220	3.4
361.14487	3.5
391.08099	23.0
421.18576	6.6
433.09042	13.9
451.10236	43.0
451.15805	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	451.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.5
55.01859	2.4
55.05483	3.8
55.82826	0.9
56.96577	0.8
57.03415	2.4
58.15906	0.9
65.03931	1.5
67.05495	7.5
68.99769	1.8
69.03425	5.3
69.07036	1.3
75.04456	2.2
77.03898	1.1
79.05486	12.5
81.03402	6.1
81.07059	7.8
83.04897	0.8
85.02888	4.6
91.05470	9.6
93.06494	1.9
93.07038	33.3
93.62798	0.9
95.04955	7.6
95.08598	5.1
97.02859	1.6
97.06509	3.2
99.04413	1.6
103.05450	1.6
105.07012	6.0
107.04916	2.1
107.08575	9.9
109.02847	1.9
109.06487	1.8
109.10162	7.1
111.04442	1.8
111.08052	1.5
119.04926	1.3
119.08582	5.5
121.06465	3.1
121.10131	34.3
123.04433	4.6
123.07981	1.3
123.11666	1.5
125.02360	0.9
125.05941	3.2
125.09584	1.5
127.03889	2.8
131.05011	0.8
131.08545	2.8
133.10089	2.0
135.04399	2.9
135.07991	2.0
135.11691	1.1
137.05984	8.3
137.09602	1.4
139.03845	2.5
139.11104	1.1
141.05447	18.6
145.10069	1.1
147.04353	2.7
147.08002	1.1
147.11678	0.9
149.05992	2.4
149.09596	6.6
149.13237	1.1
151.03917	1.6
151.07478	2.1
153.05450	100.0
154.05792	1.4
157.06487	0.9
159.08153	1.0
159.11618	1.3
161.05930	1.7
161.13184	1.0
163.03889	2.3
163.07556	1.2
163.14793	1.0
165.05489	10.2
167.07016	3.4
167.10643	2.8
177.05449	37.9
179.03429	0.9
179.07048	4.3
183.06474	4.2
189.05490	1.5
190.06265	0.9
191.07022	11.3
193.04926	2.2
193.08578	3.9
195.06474	5.3
203.07040	4.7
205.08604	1.8
207.06540	4.7
215.07016	6.0
216.04056	1.0
217.05016	1.0
217.08575	1.0
219.06500	10.5
231.06520	6.8
233.08067	1.9
233.11662	1.5
243.06502	6.3
251.12802	1.4
259.09601	1.4
261.07510	8.7
261.14868	3.8
279.08688	2.5
289.14490	1.6
397.16495	4.6
415.17261	2.3
433.29285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01858	0.5
55.05492	0.3
57.03425	0.8
57.09769	0.2
61.02917	0.6
65.03918	0.3
67.05484	0.7
69.03421	1.3
69.03722	0.2
69.07059	0.3
69.50319	0.6
69.50724	1.5
70.44724	0.2
71.04963	0.2
73.02888	0.7
75.04476	1.5
76.04794	0.3
79.05482	1.4
80.05012	0.4
81.03386	0.8
81.05766	0.3
81.07037	1.0
83.08592	0.4
84.04500	0.4
85.02891	3.5
86.03207	0.4
90.43413	0.2
91.05459	2.7
93.07027	1.1
94.06554	1.0
95.04972	0.4
96.08116	0.8
97.02868	1.1
97.06512	0.3
99.04424	0.3
100.11216	0.5
103.05425	0.4
104.04959	0.3
105.07003	0.4
106.06544	1.5
106.17022	0.2
107.04952	0.6
107.08561	0.5
108.08124	0.7
109.02843	0.4
116.04951	0.4
117.05730	0.4
118.06525	2.9
119.04940	0.3
119.07316	0.7
120.08089	13.8
121.10119	0.5
122.06017	0.3
122.09637	0.7
123.04420	0.8
124.07571	8.0
124.08484	0.5
126.09119	1.0
127.03885	0.7
133.05272	0.2
133.10159	0.3
134.06000	6.4
135.04384	0.5
135.11650	0.4
136.07574	3.7
137.05966	2.2
138.05495	1.3
138.09096	0.7
145.04933	0.5
146.05948	2.6
147.04399	0.8
147.06770	2.4
148.07547	11.9
150.09109	1.2
152.07086	0.7
154.12263	0.4
154.79945	0.3
163.03886	0.6
164.07045	62.0
165.05511	0.3
165.07607	1.0
166.08649	2.7
173.10704	0.3
177.05501	0.3
198.12700	0.4
200.10724	0.6
202.12268	0.3
212.07072	0.4
214.10921	0.6
215.11940	0.3
215.15414	2.1
216.10220	1.7
226.12231	0.6
228.10202	0.6
229.13376	1.2
232.09686	0.4
243.14906	7.0
245.16470	3.4
253.13306	1.4
254.11794	1.0
271.14377	23.1
281.18747	0.4
289.15424	100.0
290.15823	2.2
301.06955	0.3
303.04996	1.7
304.05170	1.8
305.05536	4.3
317.06366	0.3
318.06915	0.5
319.07016	1.6
319.10291	0.3
451.15536	3.6
451.20901	1.4
451.31998	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.7
55.01852	6.2
55.05506	33.2
57.03418	4.5
57.07067	9.9
58.89713	1.5
61.02929	2.4
65.03915	2.3
66.42445	1.5
67.05497	37.6
69.03076	2.7
69.03420	32.3
69.07060	44.1
70.72693	3.0
70.73032	3.6
71.01340	2.7
71.04973	5.5
71.08614	2.2
73.02892	2.5
79.05482	28.9
81.03406	29.5
81.07047	96.0
83.04958	9.3
83.08604	13.4
85.02885	12.4
85.06528	10.2
91.05479	19.9
93.07030	59.6
95.04961	16.1
95.08595	100.0
97.02881	12.3
97.06524	15.7
97.10155	22.6
99.04442	6.4
99.08085	5.5
103.03923	2.0
105.07018	40.6
106.07335	1.7
107.04963	4.0
107.08588	66.7
108.08908	1.7
109.02870	7.4
109.06487	9.2
109.10147	46.8
110.10428	2.0
111.04423	6.8
111.08084	18.1
111.11703	5.0
112.85773	1.6
113.09636	1.7
115.03899	2.3
115.05418	1.8
117.07018	5.6
119.08569	41.6
120.08085	1.8
121.06505	5.8
121.10137	40.7
123.04422	4.5
123.08055	5.5
123.11688	26.7
125.05965	1.6
125.09600	9.5
127.03902	12.2
129.05460	5.0
129.06976	4.5
131.08560	13.6
133.06459	2.6
133.10101	28.7
135.04277	1.8
135.08064	5.5
135.11662	25.1
137.05954	9.2
137.09584	7.4
137.13275	8.5
139.11147	13.6
142.07809	2.4
143.08540	6.5
143.10684	1.8
144.09323	1.9
145.06346	2.1
145.10118	17.2
147.07983	3.7
147.11681	23.6
149.05916	1.8
149.09595	7.5
149.13252	33.5
151.07472	3.0
151.11165	6.3
151.14796	6.7
153.12666	1.9
155.08530	2.3
157.10133	8.1
157.12273	2.3
159.08038	3.1
159.11671	21.1
161.09602	5.5
161.13223	23.8
161.14447	2.4
163.03860	5.6
163.07520	2.0
163.11174	4.0
163.14783	21.7
165.05521	1.8
165.09120	5.3
165.12766	3.6
167.07013	2.7
167.10638	2.2
169.10175	3.0
171.11690	5.7
173.09534	3.8
173.13228	14.9
175.07474	2.0
175.11156	3.8
175.14798	12.1
177.09042	2.2
177.12729	5.3
177.16408	7.1
179.10619	1.6
179.14301	4.5
183.08339	1.5
183.11671	3.2
185.09492	2.1
185.13234	3.9
187.14838	9.1
189.12726	2.6
189.16348	13.7
191.10614	2.5
191.14299	3.7
191.17892	6.1
195.06464	2.1
195.10074	2.4
197.13286	3.7
199.14848	5.1
201.12697	1.8
201.16360	5.7
203.10686	2.3
203.14253	2.6
203.17940	4.1
205.15819	2.2
211.14772	2.2
213.16382	5.2
215.14235	3.6
215.17941	5.3
217.15916	3.0
217.19429	1.9
219.17400	4.0
225.16261	2.0
227.17868	2.2
231.17427	3.6
231.20924	2.7
233.19003	2.8
235.16977	1.9
259.09656	3.4
269.22653	2.7
271.24139	4.8
275.23669	2.6
282.28796	1.8
287.23657	19.1
289.25168	14.1
301.25284	3.1
305.24612	2.0
317.24460	2.0
319.26151	2.4
319.73999	1.8
329.24683	2.4
331.26373	3.9
331.31894	1.5
353.23654	1.6
361.27408	2.4
369.27972	3.0
373.27289	3.1
379.26227	3.0
387.28812	2.4
397.27243	10.3
415.28198	16.2
433.29437	30.3
434.29852	2.3
451.30423	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	451.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63378	1.9
52.20451	1.7
53.03928	6.2
55.01863	5.4
55.05503	27.5
57.03428	7.0
57.07058	7.1
59.05009	1.9
67.05499	36.0
67.05843	4.0
69.03420	34.7
69.07063	45.1
69.14493	1.9
69.76527	4.1
69.76928	11.5
71.01336	2.9
71.04986	4.7
71.08626	2.1
73.02892	2.7
74.37198	1.9
77.63105	1.7
79.05486	23.1
81.03413	28.1
81.07047	100.0
81.07526	4.8
83.04970	8.1
83.08614	15.5
85.02888	9.8
85.06509	7.3
87.04465	2.1
91.05470	24.3
93.07034	50.8
95.04974	9.3
95.07974	4.5
95.08594	90.9
97.02877	11.0
97.06494	12.3
97.10158	18.4
99.04430	5.3
99.08083	3.5
103.05386	1.9
105.07018	42.1
107.04920	3.4
107.08577	53.9
109.02869	6.8
109.06497	8.9
109.10143	47.9
109.10776	1.4
111.04402	9.1
111.08069	17.6
111.11710	6.6
115.03914	3.7
117.06989	6.6
119.08566	42.8
121.06483	4.9
121.10126	39.4
123.04411	2.9
123.08057	5.3
123.11680	26.1
125.06020	3.2
125.09618	8.6
127.03902	8.2
129.05382	3.5
129.06924	3.4
131.08563	14.4
133.06493	3.2
133.10110	31.6
135.08047	4.3
135.11678	26.4
137.05925	10.3
137.09595	6.5
137.13211	9.6
139.11163	10.4
142.07790	2.8
143.08563	8.6
145.06557	2.9
145.10092	15.2
147.08043	3.3
147.11653	27.6
149.09529	5.2
149.13255	32.2
151.07481	2.1
151.11159	5.6
151.14815	6.7
153.12766	2.7
155.08537	3.5
157.10120	7.2
159.08055	5.0
159.11693	20.7
161.09570	3.5
161.13217	26.0
163.11156	5.2
163.14804	18.1
165.09108	7.0
165.12729	4.4
165.16252	2.1
167.07007	2.0
171.08052	3.0
171.11707	6.6
173.09627	2.2
173.13203	11.5
175.11165	3.6
175.14784	12.5
177.09085	3.2
177.12740	5.3
177.16357	5.3
179.14224	4.3
183.11696	2.9
184.25217	1.9
185.09633	3.3
185.13287	3.1
187.14830	10.9
189.09003	2.8
189.16327	12.5
191.14307	4.6
191.17944	4.7
197.09612	2.0
199.11110	2.1
199.14828	5.5
201.16417	4.3
203.14325	2.0
203.17902	3.8
205.19475	2.8
207.10143	2.2
208.18486	2.4
211.14909	3.9
213.16400	2.5
215.17926	5.8
217.15839	3.6
231.17390	5.7
233.18976	3.2
269.22519	3.9
271.24072	5.3
287.23688	16.0
289.25153	14.9
317.24838	3.9
331.26227	4.2
355.26404	2.6
369.27795	4.6
373.27197	3.0
379.26303	2.8
385.27072	2.7
387.28766	2.5
397.27158	11.3
415.28296	18.0
433.29437	35.0
451.30481	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05878	1.3
53.03928	3.1
53.38749	1.4
54.39849	1.6
54.61689	1.5
55.01865	12.6
55.05495	3.8
56.99483	1.7
57.03434	22.6
59.04986	1.9
61.02915	18.3
67.05494	12.8
69.03082	2.5
69.03425	37.0
69.07049	2.8
70.98949	3.1
70.99326	3.2
71.01354	3.8
71.04984	15.5
73.02910	89.9
79.05482	4.4
81.03410	8.4
81.07047	26.7
83.04985	2.9
85.02895	100.0
86.03245	1.8
86.09702	1.7
87.04462	7.4
91.03934	4.4
91.05471	4.9
93.07034	7.4
95.04948	4.7
95.08597	5.3
97.02881	65.1
97.06493	1.9
97.10188	1.6
99.04450	5.8
99.08089	2.3
100.11254	1.6
103.03926	5.2
105.07014	4.8
107.04960	2.7
107.08568	7.2
109.02843	10.6
109.06485	3.4
109.10150	2.4
115.03920	31.5
119.04893	2.0
119.08570	3.1
121.06524	3.7
121.10121	3.6
123.04408	5.9
123.11687	9.0
127.03909	32.5
132.06607	1.9
133.04959	38.0
133.10130	3.5
135.04385	1.9
137.05949	4.2
138.06300	3.3
139.03946	2.5
141.05412	5.4
141.12709	3.2
142.05780	2.1
145.04947	47.7
147.04332	3.9
147.11682	1.9
149.09599	2.8
150.07574	2.5
150.10001	1.6
151.07526	1.8
151.11110	2.2
153.12755	1.7
162.06432	1.3
163.06020	18.4
165.05461	2.2
167.07045	1.7
169.12151	1.9
181.04948	2.8
184.07304	2.8
193.04941	2.6
195.10118	1.7
217.07031	2.4
223.05954	7.1
241.07111	6.5
259.08054	8.3
303.18378	2.0
351.21082	1.6
352.50949	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05878	1.3
53.03928	3.1
53.38749	1.4
54.39849	1.6
54.61689	1.5
55.01865	12.6
55.05495	3.8
56.99483	1.7
57.03434	22.6
59.04986	1.9
61.02915	18.3
67.05494	12.8
69.03082	2.5
69.03425	37.0
69.07049	2.8
70.98949	3.1
70.99326	3.2
71.01354	3.8
71.04984	15.5
73.02910	89.9
79.05482	4.4
81.03410	8.4
81.07047	26.7
83.04985	2.9
85.02895	100.0
86.03245	1.8
86.09702	1.7
87.04462	7.4
91.03934	4.4
91.05471	4.9
93.07034	7.4
95.04948	4.7
95.08597	5.3
97.02881	65.1
97.06493	1.9
97.10188	1.6
99.04450	5.8
99.08089	2.3
100.11254	1.6
103.03926	5.2
105.07014	4.8
107.04960	2.7
107.08568	7.2
109.02843	10.6
109.06485	3.4
109.10150	2.4
115.03920	31.5
119.04893	2.0
119.08570	3.1
121.06524	3.7
121.10121	3.6
123.04408	5.9
123.11687	9.0
127.03909	32.5
132.06607	1.9
133.04959	38.0
133.10130	3.5
135.04385	1.9
137.05949	4.2
138.06300	3.3
139.03946	2.5
141.05412	5.4
141.12709	3.2
142.05780	2.1
145.04947	47.7
147.04332	3.9
147.11682	1.9
149.09599	2.8
150.07574	2.5
150.10001	1.6
151.07526	1.8
151.11110	2.2
153.12755	1.7
162.06432	1.3
163.06020	18.4
165.05461	2.2
167.07045	1.7
169.12151	1.9
181.04948	2.8
184.07304	2.8
193.04941	2.6
195.10118	1.7
217.07031	2.4
223.05954	7.1
241.07111	6.5
259.08054	8.3
303.18378	2.0
351.21082	1.6
352.50949	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	81.1
61.02943	1.8
69.03436	3.6
70.98096	2.5
71.52610	1.9
71.52972	2.0
74.97576	1.6
80.15560	1.7
81.03410	2.0
84.96034	4.4
85.02891	9.6
89.03918	4.6
91.05477	4.3
92.08735	1.5
95.04964	2.1
97.02881	6.1
98.97565	25.5
101.00860	4.1
107.04911	4.2
109.02866	2.5
110.97574	2.9
111.04455	2.0
112.99091	3.5
115.02425	1.7
116.29265	1.4
116.98603	18.9
117.03321	2.8
119.01933	15.6
119.04892	5.2
121.01656	2.3
123.04413	25.0
124.99125	4.8
127.00700	2.7
127.03915	9.9
128.98592	6.3
131.00139	6.7
131.01903	6.9
131.04903	1.8
133.03441	4.8
134.99648	10.4
135.04295	13.5
137.02998	1.9
137.05969	3.7
139.00635	2.1
139.03873	16.7
141.02238	4.5
143.00151	19.8
143.01917	4.8
144.98181	1.7
145.01799	2.7
145.03607	11.6
146.99634	7.2
147.04327	11.0
149.01248	8.4
149.03006	1.8
151.03862	2.0
155.01875	4.3
157.01756	4.5
157.03490	6.6
158.99731	3.9
159.03282	15.3
159.04576	1.8
159.05089	1.9
161.01216	26.4
161.02925	11.2
161.06558	3.2
162.99132	2.9
163.02612	2.3
163.03838	30.6
165.00826	2.5
165.02254	1.8
167.00075	2.5
169.01712	5.7
169.03317	2.7
170.99667	3.1
171.05060	4.8
172.97447	2.0
173.02954	8.7
174.99200	2.5
175.00655	4.1
175.02838	3.7
175.04489	8.0
177.00732	4.7
177.04312	5.1
177.05727	2.2
179.00121	2.9
179.02254	5.1
179.03806	1.7
181.01746	2.1
184.00464	2.1
185.01228	11.7
185.02928	5.1
186.99113	2.2
187.02779	16.4
187.04503	7.0
189.00670	8.2
189.02408	3.2
189.06012	3.7
190.98660	2.1
191.00241	3.5
193.00208	2.1
193.01758	16.6
194.99629	2.7
195.01379	2.6
197.01248	8.7
197.02795	2.0
203.02248	16.0
203.03976	5.0
203.07617	4.4
205.00282	5.6
205.03789	7.4
205.05591	3.9
206.99686	1.8
207.01678	3.3
209.01219	13.5
210.04564	2.0
211.02794	17.6
213.00679	14.2
213.02464	4.4
215.04033	2.2
215.07570	2.4
217.01930	2.3
217.05542	1.9
218.99725	5.0
219.01784	5.2
221.03117	9.3
221.05049	6.5
223.01215	2.8
223.06552	4.7
225.00700	4.3
227.02200	8.7
229.03838	5.4
231.01689	22.0
237.00668	33.1
237.02852	12.3
238.01089	2.8
245.05013	13.3
247.06245	5.3
249.02834	20.8
255.01738	78.3
256.02182	3.4
257.04745	5.7
258.99924	1.8
259.06546	2.2
263.05945	2.4
265.05859	4.5
267.03745	5.5
270.98730	1.9
271.06180	2.3
273.02759	100.0
274.03162	4.8
275.02612	1.8
278.03366	7.9
279.09201	4.9
287.06042	2.0
291.03894	4.4
295.07156	2.5
296.04388	1.8
300.04678	2.1
301.03668	3.8
301.06903	2.5
305.10709	6.2
309.04578	2.4
310.04282	2.9
312.05667	1.8
315.05228	2.0
319.12354	2.5
323.04092	7.9
323.10422	1.7
331.04742	3.0
333.02597	2.3
341.05252	3.0
347.04285	3.1
349.02124	3.8
349.05902	4.4
357.02805	3.4
361.02420	10.6
365.05374	5.3
367.03271	5.6
367.10809	11.5
375.03708	9.1
377.06003	2.2
386.05994	2.1
393.04913	25.9
393.12399	2.6
411.05939	42.9
412.06512	2.7
416.06876	1.9
421.05768	2.0
423.13571	3.8
429.07043	32.3
429.77377	2.2
430.07428	2.5
434.07397	3.7
435.13925	2.3
453.07159	8.9
453.15778	12.5
471.07791	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	453.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
51.18571	0.7
53.03936	1.4
55.01859	2.4
58.91122	0.8
65.03931	1.4
67.05494	3.0
68.41771	0.7
68.99787	2.1
69.03432	1.9
69.43026	2.8
69.43447	3.9
71.04980	0.9
79.05475	4.1
81.03409	3.5
81.07050	1.6
85.02892	2.8
85.06526	0.9
89.03915	1.5
91.05462	4.9
93.03396	2.9
93.07024	1.3
95.04948	3.9
95.08610	1.6
95.35434	0.7
97.02850	1.5
98.20766	1.2
100.11279	1.1
105.03403	1.3
105.07027	1.4
107.04957	5.0
108.02068	0.9
109.02853	2.2
111.04425	2.9
117.03345	1.9
119.04893	6.7
121.02896	1.4
123.04414	58.7
124.04801	1.0
125.05967	1.5
127.03886	1.8
131.04913	2.5
133.06485	1.9
135.04404	16.9
137.02333	34.1
137.03342	1.1
137.05949	6.0
138.06337	1.1
139.03880	3.1
141.05452	3.4
143.04918	2.5
145.02846	2.5
147.04398	25.6
147.05533	1.7
149.05980	1.3
151.03888	36.8
151.04974	2.6
151.07468	0.9
152.04176	1.1
153.01825	1.5
153.05511	1.4
157.06442	1.0
159.04507	0.9
161.05971	8.1
163.03889	34.3
165.01834	3.8
165.05463	13.1
165.06720	1.3
166.09328	0.8
169.04932	3.1
171.04359	0.9
175.03920	1.8
177.05498	2.5
179.03392	3.0
179.06992	4.1
181.05023	0.8
181.41634	0.8
183.02846	2.2
183.06418	1.6
185.05946	1.3
187.03902	2.3
189.05431	3.0
191.03371	100.0
192.03835	2.3
197.05893	0.9
201.05470	1.1
203.03381	7.7
203.07045	1.0
205.04904	3.7
207.02908	1.5
207.06505	9.3
213.05484	1.8
215.03284	0.8
217.04918	1.0
221.04439	4.6
231.06438	1.3
233.04422	2.6
241.04936	2.4
247.06052	1.5
253.07224	1.0
259.05978	7.0
271.05997	6.8
289.07202	1.5
289.73175	0.8
295.08182	2.2
301.07028	21.4
302.07193	1.0
313.06973	17.9
313.10233	1.4
317.06412	6.5
325.06973	1.8
343.08090	44.5
344.08426	2.1
393.09561	1.3
411.10632	8.4
430.46527	0.8
435.10519	3.4
453.11612	3.2
453.34290	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.9
53.03940	2.4
55.01860	3.5
55.05229	1.6
55.05502	32.5
57.07058	2.9
58.06585	0.6
65.03915	1.3
67.05492	5.1
68.99789	1.8
69.03413	3.3
69.07054	2.5
70.06570	3.1
70.17612	0.7
71.04985	1.1
71.52455	1.1
71.76971	0.6
73.02882	1.1
77.03918	1.0
79.05478	4.5
80.97650	0.6
81.03400	2.2
81.07039	5.4
82.06575	8.2
82.07363	1.0
83.04974	5.2
83.08606	22.3
84.08139	1.3
85.02873	2.4
85.06525	2.0
89.03896	1.0
91.05458	5.0
92.78093	0.7
93.03399	1.9
93.07017	2.7
95.04383	0.9
95.04939	5.4
95.08605	3.0
97.02884	2.0
97.06511	1.5
97.10144	1.4
98.09661	2.4
100.07601	10.8
100.11243	98.7
101.11576	2.6
103.05466	1.0
105.03364	1.4
105.07015	3.1
107.04943	7.3
107.08561	2.1
109.02853	2.0
109.06481	1.4
109.10120	2.4
110.06036	3.9
111.03700	1.2
111.04425	16.0
112.04812	0.7
112.07596	3.8
115.03898	1.6
115.05402	1.5
117.03385	2.2
117.06982	1.0
117.13868	2.7
119.04942	9.4
119.08583	1.2
121.02821	1.7
121.06449	1.2
121.10133	1.6
122.03698	0.7
123.04412	61.3
123.08056	1.3
123.11671	4.2
124.04707	0.7
124.07590	1.7
124.12008	1.5
126.09168	3.3
127.03902	1.8
127.08624	2.4
128.06198	1.1
128.07062	9.9
129.05469	1.1
131.04895	2.3
131.08557	1.1
133.04965	0.9
133.06427	1.2
133.10124	1.1
135.04408	15.4
135.08047	0.9
135.11678	2.0
137.02332	30.8
137.03397	1.6
137.05908	4.4
138.02652	0.8
139.03891	4.5
139.07599	0.8
139.08607	3.6
140.07036	4.3
141.11482	5.0
143.04906	2.6
143.08640	0.7
145.02785	3.7
145.06459	0.8
145.10141	0.7
147.04391	25.4
147.11671	1.2
149.05917	1.8
149.09579	1.2
151.03870	2.7
151.07495	0.8
153.01852	1.6
153.05377	1.0
159.04445	1.4
161.05974	10.0
163.03888	36.8
163.07596	1.2
163.64355	2.4
164.04222	0.8
164.14346	0.9
165.01785	2.9
165.05457	14.8
166.15880	1.3
167.06982	1.0
167.10706	0.8
169.06363	0.9
171.04430	1.0
175.03877	2.1
175.07512	0.9
175.11227	0.7
177.01831	0.9
177.05429	2.8
179.03300	3.2
179.06955	3.3
181.04904	0.9
182.15378	41.2
183.02864	2.7
183.15715	2.8
185.05995	1.3
187.03871	2.9
189.05415	3.5
191.03372	100.0
192.03723	2.0
192.13832	1.9
193.12100	0.9
195.02914	1.0
199.03862	0.7
199.07480	0.8
199.18031	2.0
203.03326	6.9
203.06987	1.5
205.04997	3.9
205.08701	0.7
207.02866	2.6
207.06512	9.6
209.16475	21.9
210.14865	44.4
210.16617	1.7
211.15132	2.7
213.05428	2.6
213.17802	5.3
213.67839	0.7
215.07037	0.7
217.04936	2.2
221.04382	4.6
226.19107	8.6
227.06714	0.9
227.17513	10.0
227.19519	1.2
228.15930	4.6
233.04369	2.6
241.04857	2.2
244.20114	0.8
247.05962	2.9
255.06148	0.9
259.05969	8.5
268.21338	1.2
271.06009	5.8
276.72769	11.7
277.22797	2.2
283.06067	1.2
289.06931	1.0
291.08594	1.1
291.15836	1.0
295.09375	0.8
299.05341	1.1
301.07004	21.5
301.10300	1.0
303.08432	1.0
313.07040	15.3
313.55493	0.7
314.07382	0.8
315.04996	1.1
317.06595	6.5
325.06912	1.7
326.27954	4.7
327.28043	0.8
331.25452	2.5
331.74564	0.9
336.22751	4.1
337.21021	2.3
339.76678	0.9
340.25980	7.0
340.75946	1.7
343.08087	40.1
343.30609	12.5
344.08499	0.8
344.30981	1.7
380.80484	2.3
381.30557	1.0
389.76550	1.1
389.81155	18.2
390.31305	7.7
393.09442	0.9
394.78436	2.1
411.10602	8.1
435.10031	3.2
435.33194	3.6
436.32462	0.8
444.33725	11.9
444.83914	4.5
452.35889	5.4
453.11328	1.5
453.15985	1.8
453.21292	1.9
453.34329	16.6
453.84344	7.2
454.33347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1386
Annotation	Catechin 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03931	1.9
55.01859	2.2
56.96548	2.0
57.03415	1.6
57.85830	0.9
61.02916	1.2
65.03933	2.4
67.05493	2.2
68.99791	1.4
69.03423	5.2
71.04980	1.4
71.52855	1.4
73.02912	1.1
81.03398	4.3
83.04960	1.7
85.02897	15.5
85.10501	1.0
86.09687	1.5
89.07148	1.5
91.05473	3.0
93.03380	1.9
95.04958	4.6
95.08598	1.3
97.02876	6.2
97.06519	1.3
99.04403	1.1
105.03394	1.1
107.04957	2.2
109.02848	2.9
109.06515	1.3
111.04423	4.5
114.09202	1.3
119.04936	6.9
121.02808	1.3
123.04416	94.5
124.04755	2.4
127.03908	5.2
133.06470	1.2
135.04425	12.0
136.07564	1.5
137.02321	2.1
137.05934	1.9
139.03889	100.0
140.04190	2.1
143.04959	1.3
145.04977	1.8
147.04405	25.9
148.04765	1.4
149.05968	2.7
151.03889	12.8
153.05466	1.5
161.05959	8.7
163.03886	32.2
165.05455	20.1
169.04941	1.2
175.03860	2.4
177.05450	3.5
179.07019	1.2
181.05002	5.3
181.06339	1.3
189.05424	2.2
191.03427	1.4
193.04916	1.9
201.05394	1.5
203.07030	1.4
205.04948	8.4
207.06451	3.1
217.04889	1.8
225.01587	1.0
229.05011	2.7
235.05936	2.2
237.00543	1.6
247.06075	4.5
249.07446	1.1
257.38055	1.1
265.07147	1.9
273.07462	5.0
283.08261	1.7
285.07471	1.8
291.08627	22.5
291.13370	1.4
301.06781	2.7
303.08447	2.4
313.06927	1.4
315.08524	2.4
357.09412	1.5
417.11780	1.5
429.06989	1.3
453.18649	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01859	2.2
56.96548	2.0
57.03415	1.6
57.85830	0.9
61.02916	1.2
65.03933	2.4
67.05493	2.2
68.99791	1.4
69.03423	5.2
71.04980	1.4
71.52855	1.4
73.02912	1.1
81.03398	4.3
83.04960	1.7
85.02897	15.5
85.10501	1.0
86.09687	1.5
89.07148	1.5
91.05473	3.0
93.03380	1.9
95.04958	4.6
95.08598	1.3
97.02876	6.2
97.06519	1.3
99.04403	1.1
105.03394	1.1
107.04957	2.2
109.02848	2.9
109.06515	1.3
111.04423	4.5
114.09202	1.3
119.04936	6.9
121.02808	1.3
123.04416	94.5
124.04755	2.4
127.03908	5.2
133.06470	1.2
135.04425	12.0
136.07564	1.5
137.02321	2.1
137.05934	1.9
139.03889	100.0
140.04190	2.1
143.04959	1.3
145.04977	1.8
147.04405	25.9
148.04765	1.4
149.05968	2.7
151.03889	12.8
153.05466	1.5
161.05959	8.7
163.03886	32.2
165.05455	20.1
169.04941	1.2
175.03860	2.4
177.05450	3.5
179.07019	1.2
181.05002	5.3
181.06339	1.3
189.05424	2.2
191.03427	1.4
193.04916	1.9
201.05394	1.5
203.07030	1.4
205.04948	8.4
207.06451	3.1
217.04889	1.8
225.01587	1.0
229.05011	2.7
235.05936	2.2
237.00543	1.6
247.06075	4.5
249.07446	1.1
257.38055	1.1
265.07147	1.9
273.07462	5.0
283.08261	1.7
285.07471	1.8
291.08627	22.5
291.13370	1.4
301.06781	2.7
303.08447	2.4
313.06927	1.4
315.08524	2.4
357.09412	1.5
417.11780	1.5
429.06989	1.3
453.18649	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46918	3.7
53.03935	13.2
55.01859	7.3
55.05510	34.5
57.03422	11.7
57.07061	11.0
60.19467	3.7
60.24014	3.9
61.02928	9.1
65.03944	4.2
67.05499	35.7
69.03428	48.3
69.07063	42.0
69.12004	3.4
70.87848	11.3
71.04967	6.7
71.08611	4.5
73.02905	9.2
75.54469	3.5
79.05115	4.1
79.05492	39.9
81.03416	32.7
81.07050	100.0
83.04967	5.5
83.08611	18.2
85.02896	97.7
85.06542	9.9
86.98546	4.0
87.04477	7.4
91.05485	21.1
93.07040	68.1
95.04972	12.0
95.08601	78.3
97.02894	35.5
97.10187	26.0
99.04436	13.0
99.08062	4.9
101.02303	4.3
103.05455	4.5
105.07027	32.3
107.04927	5.5
107.08585	73.0
109.02859	17.5
109.06528	9.4
109.10140	46.7
111.04412	7.1
115.03938	5.4
117.06997	6.9
119.08561	36.5
121.10134	51.8
123.04424	7.7
123.08121	6.2
123.11683	26.9
125.05993	4.1
125.09644	6.5
126.83680	4.0
127.03892	39.0
131.08565	8.2
133.10124	19.8
135.11691	32.7
137.05991	12.4
137.09601	6.3
137.13237	8.0
139.03897	5.0
143.08502	7.1
144.09337	4.8
145.04958	11.1
145.10135	14.1
147.04338	5.3
147.11659	16.1
149.05927	5.1
149.09558	4.3
149.13246	55.5
158.55470	4.3
159.11650	10.2
161.09634	5.5
161.13242	13.1
163.07553	5.6
163.14799	14.7
165.05560	5.0
165.09091	5.9
171.11649	9.0
173.13229	7.7
175.14752	4.3
177.16429	6.4
178.44960	4.6
185.13156	5.3
187.11200	4.1
187.14719	6.0
189.12766	4.1
189.16336	5.2
205.08606	9.0
207.06607	4.9
273.25681	8.1
281.72879	4.2
289.25531	3.9
291.15903	5.2
291.26764	58.2
303.26688	4.8
315.26697	5.8
319.26184	4.4
326.99908	4.4
371.29349	6.8
399.28900	9.4
417.30316	11.1
435.30881	14.5
453.31927	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	454.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13863	2.0
53.03936	4.1
54.10208	1.9
55.01871	12.5
55.05518	1.9
57.03423	2.1
57.07062	7.9
59.05006	2.5
61.02905	2.6
65.03923	3.0
67.05483	6.1
69.03420	16.1
69.07053	9.4
70.02926	5.6
70.06590	4.8
71.04965	4.3
71.52141	2.5
71.52536	1.8
72.04504	24.4
73.02927	14.8
73.06541	3.2
76.64944	1.7
79.05478	1.9
81.03416	21.7
81.07046	3.4
83.04961	7.7
83.06055	1.7
85.02895	15.9
85.06542	10.3
86.09679	5.9
87.08074	4.0
88.07608	2.3
90.05549	53.2
91.05437	3.9
92.07493	1.7
93.07021	5.1
95.04980	9.6
95.08588	5.1
96.08131	4.5
97.02883	16.6
97.06519	2.7
98.02415	14.3
99.04436	8.4
100.03970	6.8
101.06019	4.4
103.07595	4.6
107.04932	3.5
107.08547	3.9
109.02876	29.2
109.10143	2.5
111.04405	3.7
112.07626	2.5
113.05986	6.9
116.03445	25.2
119.04932	2.5
123.04385	15.6
123.89281	1.7
124.04753	4.0
124.07571	28.8
125.07977	1.7
126.04531	1.8
127.03914	23.8
131.07062	4.5
132.06543	11.2
135.04375	4.7
135.11685	4.2
136.07573	5.1
137.05934	3.8
138.05501	4.8
139.03882	8.0
140.59219	1.7
142.08633	17.7
145.04916	5.3
147.04369	8.6
148.04773	3.1
151.03836	2.3
153.12718	2.6
156.10150	2.5
160.07591	2.6
160.09634	7.2
163.03822	4.3
165.05481	2.0
166.08627	5.5
172.09613	4.2
174.11252	6.4
178.04936	5.2
184.06247	1.8
184.08116	3.6
184.09666	34.6
187.06003	2.1
193.08575	2.0
198.07628	4.8
199.05983	10.5
202.10721	100.0
203.11401	2.8
206.04443	7.1
211.09596	11.0
216.08685	6.1
217.07063	7.5
220.11768	32.6
230.10208	9.0
234.09645	11.0
244.11652	2.3
262.12860	20.1
271.11722	6.6
289.12650	2.2
310.12820	7.7
310.53983	2.1
313.11768	2.3
328.13864	64.4
329.14133	2.0
346.14923	17.8
364.16003	25.4
418.21024	3.2
455.14999	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	454.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
53.07101	1.7
55.01868	2.7
55.05494	6.4
55.32323	1.5
56.96549	2.4
57.03433	34.0
57.07079	3.7
59.04984	6.6
61.02922	10.6
67.05479	7.0
69.03421	86.8
69.07064	18.5
69.29745	14.6
70.89379	1.5
71.01332	2.3
71.04973	7.5
71.67951	1.6
72.69533	1.5
73.02913	24.5
75.04457	2.6
79.05487	4.8
81.03407	13.0
81.07043	11.4
83.04980	2.5
83.08611	5.7
84.04484	3.7
85.02895	100.0
87.04456	45.0
91.03929	3.8
91.05463	5.1
91.87591	1.7
93.07037	5.1
95.04963	4.2
95.08595	8.2
97.02879	77.5
97.06503	2.5
97.10137	4.0
98.20706	1.6
99.04419	5.2
103.03939	3.2
103.05388	2.3
105.07010	3.6
107.04980	1.9
107.08585	5.5
109.02856	6.1
109.10128	5.4
115.03918	79.3
117.06979	2.0
119.04911	3.0
119.08546	3.3
121.06444	1.9
121.10108	3.4
123.04411	3.3
123.11678	2.9
127.03900	18.5
131.08508	2.8
133.04948	83.0
135.11670	2.1
137.05962	2.7
139.03889	3.5
143.14351	1.8
145.04939	27.3
145.10141	2.2
147.04387	7.8
147.11679	2.2
150.07582	10.8
151.03909	2.5
151.07521	2.0
153.12651	2.4
159.11716	2.7
161.13234	1.9
163.06021	8.4
169.04837	2.0
178.86790	1.6
181.04836	2.0
193.04884	2.0
205.07047	1.7
209.15372	5.8
241.07137	5.3
246.58231	1.8
257.17578	2.0
259.08078	2.3
267.08969	6.2
269.17398	3.2
275.73215	1.6
277.09012	4.9
285.10028	13.6
287.18420	2.2
294.75089	1.5
305.19479	2.5
324.11313	4.8
437.28027	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
53.28172	0.6
55.01863	8.2
55.05499	3.4
57.03428	18.8
57.07061	1.5
59.04984	1.4
61.02920	15.6
67.05482	2.4
69.03419	33.1
69.07063	11.7
69.39582	2.2
69.40005	3.9
71.01333	5.0
71.04981	6.1
73.02907	79.5
79.05470	2.1
81.03409	7.3
81.07059	3.8
83.04976	2.0
83.08611	4.9
84.04519	0.8
85.02894	100.0
85.06507	0.7
86.03219	1.0
87.04449	4.7
91.03938	4.7
91.05466	1.3
93.07039	2.2
95.04944	1.5
95.08585	2.5
97.02878	59.5
97.06518	1.3
97.10147	1.1
98.20728	0.8
99.04453	4.5
100.11237	1.2
101.02396	0.9
103.03934	4.6
105.07018	1.2
107.08585	1.2
109.02856	7.8
109.06529	0.9
109.10117	1.7
111.04433	1.7
115.03915	28.5
119.04987	0.8
119.08539	0.9
121.06499	1.5
121.10176	0.8
123.08083	1.1
125.13266	2.0
127.03902	30.8
132.06540	1.2
133.04944	35.9
135.11673	0.8
137.13268	0.9
139.07530	3.7
143.14325	2.7
145.04936	48.8
150.07602	4.6
151.03836	1.0
151.07564	0.9
151.11223	0.8
153.12770	3.2
155.14330	0.9
163.03929	0.8
163.05984	16.1
167.14307	0.9
171.13797	0.6
181.05020	0.8
182.15453	1.5
183.13721	1.8
193.04951	1.9
197.15430	1.4
199.06035	1.8
210.14897	1.5
217.07132	1.8
221.15395	1.5
223.05949	6.8
227.16479	1.1
233.15379	0.9
239.16321	3.2
241.07050	8.4
251.16508	2.1
257.17508	3.0
259.08063	7.1
269.17523	2.1
275.18594	1.0
277.09122	1.7
287.18561	2.3
295.10355	1.5
305.19620	1.9
381.30096	0.7
416.72144	0.8
437.16125	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2925
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
52.09976	0.6
53.85204	0.6
55.05487	2.1
57.03436	3.4
57.07070	24.4
62.06082	24.1
67.05499	5.0
69.07053	2.8
70.78023	1.6
71.08624	14.9
81.07046	6.5
83.08614	4.3
85.10175	8.5
87.12923	0.7
88.90598	0.7
95.08600	8.4
97.10143	2.6
98.98455	5.9
103.07542	0.7
109.10140	4.8
123.11678	1.5
124.01588	1.2
132.93497	0.6
142.02614	1.7
142.47694	0.7
155.01030	6.5
173.02046	1.4
176.66998	0.6
198.05222	1.4
216.06339	2.3
239.23657	1.8
282.27875	11.0
313.27328	100.0
314.27789	3.6
362.21027	0.6
363.35471	0.7
393.23999	5.5
436.27869	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	454.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.6
57.07071	34.1
58.41792	1.3
69.07062	3.0
70.48158	4.9
71.08627	24.3
73.06541	6.0
83.08615	2.6
85.10176	22.3
87.04472	3.0
87.42237	1.4
87.97983	1.3
89.06024	100.0
91.05470	1.4
95.08604	1.8
97.10152	2.7
99.11713	4.6
107.07053	4.7
113.13264	2.4
117.09153	2.3
120.20953	1.3
130.08638	2.4
133.08595	47.3
135.88434	1.3
155.17882	6.7
177.11250	20.2
183.11618	1.3
195.12277	3.3
199.20575	3.7
212.83997	1.5
221.13837	2.5
224.77678	1.4
239.14873	2.8
243.23149	5.5
283.17456	12.5
287.25751	3.6
307.88480	1.4
369.77713	1.5
387.00543	1.6
388.58551	1.6
437.34732	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	455.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14948	0.4
65.96085	0.5
68.60243	0.4
70.19965	0.6
70.20303	2.0
85.45526	0.4
85.54230	0.5
96.07193	0.5
112.89598	5.4
131.01823	0.7
143.01866	1.3
155.01901	0.5
203.04044	1.0
254.37970	0.5
455.11581	100.0
456.11984	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	455.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75918	6.4
67.05486	7.1
67.64964	7.4
67.74388	7.3
69.47060	33.9
69.47488	23.4
70.06581	18.0
70.33583	7.0
73.70639	7.3
81.07047	7.1
82.06624	8.5
85.02898	14.8
91.05505	11.1
95.08559	8.0
97.02899	14.0
98.97585	17.3
105.07023	7.7
112.07612	20.0
121.10159	8.9
123.04463	13.2
127.03893	9.9
128.07060	21.9
129.07382	15.3
139.03925	10.3
139.07484	7.5
140.07005	9.0
145.02809	15.4
147.04384	12.6
177.05475	20.0
179.03751	7.7
181.04965	11.7
323.07986	9.2
338.81461	8.3
341.09064	9.8
394.52838	7.7
455.12885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94549	0.9
56.96550	1.8
60.48920	0.9
61.52288	0.9
67.05495	2.4
69.03421	2.4
69.73587	4.8
70.06580	9.4
71.04966	1.3
73.02906	2.4
81.03398	1.3
81.07036	1.9
85.02882	3.5
87.95014	0.9
91.05482	1.5
92.73669	1.0
93.07047	1.7
95.04936	1.3
95.08598	1.8
97.02870	3.0
98.97571	3.6
99.54148	1.1
105.07028	1.7
109.02879	1.2
112.07597	5.9
116.98624	2.1
117.00346	1.0
119.04939	1.4
121.10120	3.8
123.04413	2.6
127.03890	2.4
127.11187	2.5
128.98607	1.6
131.04895	1.1
137.02339	1.7
137.05946	2.4
139.03828	1.6
140.07045	3.7
145.02873	1.1
145.04897	1.2
145.12215	4.8
146.64326	1.0
146.99644	1.2
147.04373	2.9
151.03848	2.8
153.05450	2.3
161.13930	1.0
163.03857	1.0
165.05458	1.3
167.06979	1.3
177.00714	1.8
177.05406	1.9
179.03650	1.2
197.04814	1.4
207.06541	1.1
219.01817	1.6
237.02837	4.7
278.34534	1.0
287.05692	1.8
303.08777	6.3
323.07990	2.7
341.09039	4.1
381.82269	1.0
382.11020	1.1
382.94690	1.0
437.08136	1.2
455.13086	100.0
456.13394	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
65.03926	1.5
67.05493	0.9
69.07079	0.3
71.52512	0.5
76.13773	0.3
79.05492	1.0
81.07045	0.7
83.04992	1.4
89.03907	4.2
91.05474	14.4
95.08591	0.6
104.39218	0.3
105.06975	0.4
107.04951	1.4
107.08605	0.5
109.10162	0.7
111.03632	0.4
111.03836	0.3
111.04430	14.1
117.03364	4.8
119.04937	29.1
120.05287	0.5
123.11697	0.4
133.10095	0.4
135.04407	9.0
145.02844	5.0
147.04396	100.0
148.04716	2.4
162.87149	0.3
163.03891	45.0
164.04187	0.9
181.08669	0.3
224.59744	0.3
233.11697	0.5
240.79689	0.4
257.08063	2.2
307.57568	0.3
330.29352	0.3
455.13254	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69025	0.4
55.05496	1.4
58.13887	0.4
59.72562	0.4
63.02358	0.6
65.03934	1.0
67.05473	0.7
68.63740	0.4
69.03416	0.5
69.07085	0.4
70.77995	0.8
70.78332	0.8
78.37698	0.4
79.05490	2.1
81.07046	0.9
83.04964	1.7
88.31031	0.4
89.03912	9.7
89.06558	0.4
91.05481	6.3
93.22852	0.4
95.04950	0.7
95.08585	0.6
105.04510	0.4
107.04922	2.6
109.10134	0.5
111.04435	27.8
117.02612	0.7
117.03380	9.0
119.04937	12.5
121.02894	0.4
135.04404	23.6
135.11682	0.4
143.08420	0.4
145.02834	14.5
145.03973	0.8
147.04396	45.0
148.04691	0.6
163.03893	100.0
164.04283	1.8
186.05489	0.6
230.49770	0.4
273.07556	1.2
339.10745	0.4
345.90411	0.4
380.27750	0.4
455.07455	0.4
455.13361	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69473	0.4
53.53006	0.4
55.05504	2.5
55.41999	0.4
63.02380	0.5
64.64158	0.5
65.03936	1.1
67.05502	1.1
69.79225	2.5
69.87874	0.4
79.05486	2.9
81.07054	0.8
83.04980	1.6
89.03909	10.0
91.05473	9.1
95.04957	0.8
95.08616	0.5
98.40595	0.4
105.07017	0.6
107.04932	2.7
107.08576	0.7
111.04430	24.9
117.03371	10.3
118.79048	0.4
119.04932	19.3
121.02892	0.5
121.06542	0.7
121.10192	0.4
125.04624	0.4
127.69605	0.4
130.97037	0.4
133.10162	0.5
135.04398	21.8
135.07994	0.6
141.05347	0.4
145.02829	14.5
147.04396	68.4
148.04749	1.4
149.05934	2.1
163.03886	100.0
164.04289	2.3
186.05450	0.7
191.10635	2.5
201.09190	0.5
219.10138	2.9
233.11682	3.5
257.07986	0.9
261.10870	0.4
273.07492	1.1
455.12820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
53.50954	0.2
55.01856	0.2
55.05504	0.4
57.01617	0.2
57.03429	0.5
65.03922	0.5
67.05490	0.7
69.03419	1.0
69.07050	0.4
69.74473	0.9
69.74883	0.3
69.85685	0.2
79.05469	0.3
81.03414	0.5
81.07050	1.1
83.04967	1.7
83.26276	0.2
85.02897	2.3
91.05475	6.1
93.07019	0.4
95.04952	0.2
95.08582	0.8
97.02876	0.6
97.06514	0.3
105.07034	0.4
107.04951	3.6
107.08562	0.4
109.02831	0.3
109.10145	0.4
111.04423	2.2
119.04926	18.4
120.05282	0.4
121.02882	0.3
121.10130	0.3
123.04384	0.2
123.11716	0.3
127.03890	0.5
131.04916	0.3
133.06477	0.3
133.10056	0.2
137.09579	0.2
145.06531	0.3
145.10048	0.2
147.04393	100.0
148.04726	1.7
157.06511	0.4
159.08002	0.3
161.05989	0.2
165.05525	0.3
165.09045	0.3
167.06979	0.2
169.05011	0.4
169.06476	0.5
173.05951	0.3
187.07581	0.5
189.05399	0.5
201.05457	4.3
203.07011	0.4
205.08644	0.3
215.07051	0.6
217.04929	1.1
245.08070	0.3
253.99631	0.2
254.69214	0.2
257.08069	0.4
275.09113	13.5
293.10123	2.1
408.11905	0.2
455.22226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08074	0.2
55.01839	0.3
55.05494	0.3
57.03432	0.3
61.02906	0.4
65.03927	0.8
67.05491	0.5
69.03407	0.9
69.85864	1.1
71.04969	0.2
77.34653	0.2
79.05464	0.3
81.03411	0.4
81.07053	0.6
83.04990	1.2
85.02901	1.8
87.04430	0.2
90.03237	0.2
91.05471	5.5
91.06023	0.4
93.07053	0.3
95.04971	0.3
95.08575	0.4
97.02869	0.7
98.20818	0.2
99.84319	0.2
100.03597	0.2
100.11279	0.2
107.04948	4.1
107.08552	0.3
111.04431	2.3
119.04932	18.0
121.02881	0.2
123.04434	0.5
127.03890	0.5
131.04942	0.3
133.06441	0.3
145.04987	0.2
145.06456	0.5
147.04391	100.0
148.04745	1.4
159.07990	0.3
165.09187	0.2
169.04929	0.6
169.06447	0.4
173.05966	0.5
187.07530	0.8
189.05467	0.4
201.05446	4.3
203.07019	0.3
205.08604	0.4
207.06558	0.2
215.07069	0.4
217.04950	1.4
257.08200	0.5
263.80280	0.2
275.09109	14.4
276.09564	0.3
293.10101	0.5
343.95279	0.2
353.03934	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.7
55.01863	2.0
55.05499	7.9
57.03417	2.7
57.07066	12.0
60.93746	1.1
61.02906	1.7
65.03933	2.3
67.05496	7.3
69.03417	10.6
69.07047	5.0
70.44104	5.2
73.02913	1.9
79.05470	8.4
81.03401	9.5
81.07043	20.1
83.04967	4.9
83.08621	2.7
85.02884	11.6
85.06538	6.4
91.05470	11.1
93.07033	10.2
95.04942	2.7
95.08589	9.1
97.02877	4.7
97.06493	2.8
97.10165	2.4
99.04445	4.1
99.08089	5.7
105.07038	6.1
107.04944	4.6
107.08562	9.3
109.02865	5.0
109.06501	17.9
109.10126	6.7
111.04424	3.0
111.08055	2.2
111.11762	1.5
117.06975	1.7
119.04915	18.4
119.08559	5.1
121.06505	1.4
121.10118	9.5
123.04404	4.1
123.08047	2.5
123.11688	4.6
125.09616	4.1
127.03897	7.9
131.08525	2.6
133.06451	1.2
133.10114	3.6
135.04430	1.2
135.08035	2.4
135.11632	3.0
137.05966	3.8
137.09636	1.7
137.13226	1.7
139.03922	1.6
139.11182	1.5
145.04913	1.4
145.06476	1.9
145.10078	2.6
147.04384	79.0
147.08047	1.5
148.04721	3.4
149.05963	1.8
149.09587	1.9
149.13242	3.8
151.03935	5.7
151.07545	1.9
151.11177	1.9
153.05533	1.4
153.09142	1.6
157.10132	1.8
159.11687	2.1
161.06010	1.5
161.09599	1.9
161.13246	3.1
163.03862	1.9
163.07541	1.8
163.11162	1.6
163.14809	1.6
165.09079	3.1
167.07121	2.1
167.14281	2.7
173.13284	3.0
175.11118	1.5
175.14824	1.3
177.05482	1.9
178.18950	1.2
185.13300	1.6
189.12727	1.3
191.07031	2.3
191.14363	3.5
201.05466	2.1
207.06525	2.3
209.15242	1.7
215.14433	1.6
229.02090	1.5
229.10712	1.2
239.18130	1.3
257.19073	1.8
265.40134	1.3
275.09097	6.6
275.16257	2.0
275.19983	2.8
293.17188	100.0
294.17551	2.1
303.08533	1.8
315.04987	1.5
378.90002	1.6
455.22421	91.9
456.22815	4.0
470.70087	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.2
55.01868	5.7
55.05507	30.2
57.03427	10.3
57.07069	8.0
57.12822	2.2
57.86349	2.5
61.02925	7.3
67.05499	34.5
69.03419	24.8
69.07062	56.2
69.30392	11.2
69.30824	13.3
71.04990	6.6
71.08609	4.8
73.02912	7.3
79.05487	29.8
81.03407	14.8
81.07051	100.0
83.04977	9.6
83.08606	18.6
85.02900	70.0
85.03426	2.8
85.06534	12.6
85.10177	2.6
91.05468	19.7
93.07041	35.2
95.04972	13.2
95.08601	93.2
97.02889	18.3
97.06514	6.8
97.10177	15.4
98.20689	4.6
99.04475	5.8
99.08073	6.1
103.03957	3.7
105.07021	22.9
107.04933	4.8
107.08582	44.4
109.02858	10.1
109.06506	9.9
109.10146	69.4
111.04425	5.9
111.08083	14.5
111.11749	12.8
115.03928	7.4
117.07037	5.3
119.04953	2.9
119.08592	15.7
121.06474	4.0
121.10130	26.8
123.04447	3.9
123.08084	9.4
123.11697	34.5
125.05939	3.1
125.09633	4.7
125.13289	4.4
127.03925	16.7
127.07555	2.6
129.05479	10.5
131.08588	6.8
133.04918	5.7
133.10117	12.8
135.08040	6.4
135.11708	18.3
137.02403	2.4
137.06023	5.4
137.09598	6.9
137.13228	20.4
139.03967	2.5
143.08557	5.2
145.04953	14.4
145.10107	15.7
147.04387	9.2
147.11670	10.8
149.02316	10.6
149.09612	7.4
149.13228	18.6
151.07538	2.7
151.11172	7.8
151.14754	5.3
153.09105	5.6
155.07133	2.4
157.10130	4.9
159.11710	10.0
161.09569	3.9
161.13229	7.6
163.06017	9.4
163.11156	3.9
163.14806	9.7
165.05568	2.8
165.09123	19.4
165.12715	2.6
171.11548	3.0
173.09584	4.2
173.13274	7.6
175.03792	2.4
175.11189	2.7
175.14890	4.6
177.09033	3.2
177.16374	10.1
185.13197	3.3
187.14851	4.7
189.12801	2.7
189.16350	4.2
191.17932	6.6
193.19460	3.5
203.18066	3.2
205.12387	2.8
205.19441	4.0
209.11761	2.7
219.21030	4.2
275.20139	5.9
275.23123	2.5
275.27344	4.1
285.10074	5.8
291.26926	4.8
293.28143	4.6
315.04910	3.7
317.28256	5.7
359.29178	2.7
383.29614	4.9
401.30615	11.2
419.31665	12.6
437.15894	8.0
437.32382	7.8
455.26141	6.5
455.32413	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	456.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.4
57.03421	3.8
61.02912	2.7
61.62112	1.2
62.07485	1.1
67.05502	1.4
69.03434	8.0
70.06586	100.0
71.01366	1.5
71.04987	6.7
71.53098	2.4
73.02909	11.2
81.03396	2.8
83.04980	1.6
85.02907	11.5
91.05469	2.8
97.02869	11.1
105.06988	1.8
107.04953	1.6
109.02875	5.7
109.10164	2.6
112.07596	81.0
115.03928	4.3
116.07061	1.9
116.98540	1.4
117.07029	1.3
119.04892	2.2
124.04712	1.1
127.03886	4.7
127.11178	14.6
133.04950	3.7
137.02219	1.1
137.05959	5.3
139.03854	2.2
140.07056	48.3
145.04961	3.1
145.12228	50.6
149.05952	1.4
151.07545	4.6
158.08112	8.5
161.05991	1.7
163.07494	1.3
165.05479	1.8
175.07547	2.2
176.03418	3.0
177.05432	2.4
189.09180	1.4
205.08578	1.5
242.10242	1.6
246.71379	1.2
266.10242	1.7
284.11313	7.3
288.05875	1.6
291.12210	1.1
456.13397	5.2
456.22540	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99800	0.7
55.01859	2.1
57.03434	6.1
57.07069	1.4
61.02914	3.8
61.99194	0.8
67.05477	1.6
69.03425	8.5
69.07059	1.5
70.06585	46.2
71.01339	0.9
71.04987	11.4
71.06882	1.0
71.51962	1.0
71.52701	1.0
71.53162	1.1
73.02909	21.6
73.06546	1.0
79.05481	1.8
81.03405	2.9
83.08587	1.1
85.02895	18.8
85.39777	0.7
87.04464	1.2
91.05463	2.1
92.51965	0.8
95.08581	1.4
97.02884	13.6
103.05480	0.9
105.07019	1.2
108.33681	1.0
109.02849	4.5
109.10158	4.2
112.07596	40.4
113.07978	1.6
115.03928	6.7
116.07068	1.1
119.04961	1.4
121.06508	1.0
123.04397	2.0
127.03915	9.1
127.11182	25.4
131.04898	1.4
133.04959	9.5
135.04456	1.3
137.05960	6.0
139.03897	1.5
140.05965	1.3
140.07051	24.2
145.04939	8.0
145.12224	100.0
146.12590	2.5
147.04466	1.6
151.03897	1.0
151.07545	4.4
158.08189	4.9
161.05937	2.0
163.06079	1.9
163.07471	1.7
165.05513	0.9
166.77823	0.9
175.07600	1.8
176.03479	1.2
177.05391	1.0
187.07507	1.5
189.09016	0.8
193.08633	1.0
223.05922	1.1
229.08580	1.1
241.07065	1.9
259.08014	2.1
266.10352	1.4
274.88351	0.9
284.11383	2.7
304.08887	1.1
362.94742	0.9
456.13062	8.0
457.12796	2.1
457.19031	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.8
53.03922	0.7
55.01865	2.6
55.05483	1.5
57.03431	5.9
57.07061	1.4
61.02924	3.6
62.07835	0.8
64.47037	0.7
67.05499	1.3
69.03422	8.4
69.07062	1.1
70.06585	37.5
70.88593	1.8
71.01326	1.0
71.04981	12.3
73.02909	16.6
73.06537	1.6
77.05953	0.6
81.03407	2.4
83.04958	1.6
85.02897	17.4
86.46304	0.6
87.04444	1.1
87.59477	0.7
90.99627	0.6
91.03944	0.7
91.05455	1.4
95.92197	0.7
97.02884	13.4
99.04424	1.2
105.07032	1.9
107.04942	0.7
107.08622	0.9
109.02876	4.4
109.10106	3.6
111.04372	0.6
112.07591	33.9
115.03926	7.2
116.07073	1.7
116.98602	0.8
117.06985	0.9
121.06500	0.8
123.04431	1.0
123.74756	0.6
127.03895	6.2
127.11179	20.8
129.87419	0.8
133.04938	7.2
135.04402	0.7
135.11713	0.7
137.05927	3.2
139.03819	0.8
140.05965	1.0
140.07056	19.3
145.04945	7.4
145.06119	0.8
145.12221	100.0
146.12567	1.9
147.04440	1.4
151.03923	1.8
151.07507	2.8
158.08142	3.8
163.04004	0.9
163.06046	2.1
175.07558	0.9
176.03474	1.3
177.05351	0.7
187.07523	1.0
189.09154	0.8
217.08681	0.7
223.06010	1.4
231.10175	0.9
234.77684	0.7
241.07069	2.0
259.08313	1.6
264.14896	0.7
284.11191	1.6
304.08963	1.0
456.13345	8.5
457.13120	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	456.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01865	7.8
57.03181	2.1
57.03435	18.1
58.57226	1.4
59.04989	2.5
61.02920	15.8
61.06249	1.5
65.14044	1.5
66.61296	1.5
69.03082	2.9
69.03424	32.7
70.73465	4.1
71.01340	3.7
71.05005	1.6
73.02505	3.1
73.02911	64.9
74.22352	1.4
81.03416	6.2
81.07039	1.6
83.04977	1.3
85.02898	100.0
85.75459	1.4
87.04460	4.8
91.03938	4.0
97.02888	54.4
99.04430	5.7
103.03926	2.2
103.78851	1.5
105.70164	1.6
109.02900	8.0
115.03918	23.9
127.03918	29.7
133.04959	32.4
145.04945	49.4
150.07588	3.5
163.05994	16.9
192.18976	1.6
223.05927	3.6
241.07019	6.4
249.36394	1.8
259.08148	5.1
307.21054	2.0
334.01849	1.4
367.32294	1.5
456.25949	2.0
473.90927	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86755	1.9
55.01862	2.0
55.05485	2.6
56.77383	1.7
56.96558	15.9
57.03426	4.0
58.99876	2.0
61.02900	7.0
65.03929	2.5
69.03425	12.9
70.77347	4.6
70.77687	2.5
73.02894	4.9
73.06526	2.1
73.44754	1.7
81.03411	6.5
82.99870	2.0
84.96011	4.4
85.02889	24.0
87.04468	3.1
89.03883	1.8
91.03896	1.8
91.05478	5.2
92.13090	2.2
95.04984	1.9
97.02881	20.3
98.97573	44.1
100.00106	2.7
101.00886	5.4
103.68246	2.0
105.00397	2.3
107.04910	2.1
109.02859	5.2
110.97546	3.3
116.98608	31.9
118.01126	8.9
119.01920	21.4
119.04922	8.9
123.04395	4.8
127.03882	6.2
128.98601	9.4
131.00175	2.7
131.01913	11.6
133.03461	3.5
134.99644	14.3
135.04398	3.2
137.03009	4.6
137.05972	60.8
142.01018	2.8
143.01852	17.8
144.02724	2.0
145.01622	5.3
145.03464	7.2
145.04929	4.5
146.99626	9.4
147.04381	26.1
149.01224	2.8
155.01904	10.8
155.04631	7.8
156.02592	5.2
157.03407	3.3
158.99644	14.0
160.02168	9.6
161.01138	2.9
161.01439	3.3
161.02939	42.7
163.02715	2.4
163.04008	6.5
164.05196	3.2
168.02666	4.9
172.02126	4.0
173.02902	14.2
174.03749	4.1
175.04709	1.8
177.00708	18.9
177.04088	2.4
177.05606	2.1
178.01114	3.6
179.00261	2.0
179.01901	2.4
179.07013	4.8
181.03445	9.8
184.02203	3.8
184.04500	2.5
185.02902	2.3
186.03668	4.5
188.01721	2.4
189.00580	2.8
189.04282	2.9
193.03456	2.4
194.04207	3.3
195.01825	3.1
195.05045	21.7
196.02182	15.3
197.01239	3.2
197.02957	6.1
199.04462	5.2
203.03993	13.5
203.07690	2.1
204.02632	2.4
207.01657	2.5
207.05116	2.7
208.04904	2.0
210.99522	2.6
211.04477	2.5
213.06093	5.2
215.07678	2.9
217.05486	4.0
218.04204	3.2
219.01802	12.0
219.04993	28.6
219.06801	3.1
221.03024	3.2
221.05049	16.7
222.03612	3.9
223.04561	10.3
224.04980	2.5
224.24086	2.0
227.06763	3.5
231.05074	6.3
236.05222	2.9
237.02693	23.3
237.06100	31.2
237.08414	3.7
238.06227	1.9
240.04947	4.6
243.07062	6.4
244.04266	100.0
244.07768	7.0
245.04724	6.0
246.03770	5.5
247.04495	8.1
249.06046	8.3
251.07640	3.9
252.04703	2.5
253.03801	2.6
255.05637	3.4
259.04596	8.9
260.05066	4.3
261.06082	14.2
262.05350	16.5
263.05841	3.5
264.04761	19.9
265.05377	3.2
272.05051	2.7
273.03085	2.8
273.05963	3.5
278.06738	2.2
279.04446	2.4
279.07224	27.9
280.07092	11.1
285.06772	3.8
291.04297	2.0
291.07245	11.8
293.10950	3.9
297.08405	15.0
300.04816	4.7
307.06668	17.0
309.08459	25.5
321.08179	20.8
324.09558	18.9
324.59729	6.1
325.10400	22.3
334.10892	4.5
336.06750	5.0
339.09232	6.0
348.06873	70.3
349.07449	7.0
351.09583	2.7
363.09204	33.4
364.09244	3.7
366.07910	14.2
373.06418	3.4
381.10278	93.8
382.10199	5.7
399.11325	60.4
400.11539	3.8
404.11536	2.1
417.11823	6.9
422.12711	3.8
441.12436	6.1
459.13730	13.8
459.19382	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	459.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53629	1.6
53.03942	7.0
55.01868	8.0
55.05264	2.1
55.05509	26.6
57.03426	5.6
58.35633	1.2
60.02128	1.2
64.10552	1.1
65.03933	1.6
67.05169	2.3
67.05502	32.0
69.03428	4.1
69.07075	7.1
70.97934	2.8
71.04971	3.4
79.05487	34.5
79.65634	1.2
81.03413	100.0
81.07050	30.9
82.85529	1.3
83.04959	5.3
83.08614	22.9
85.06549	2.2
91.05472	36.0
93.07038	22.1
95.04961	29.6
95.08605	14.9
97.02881	1.5
97.06513	4.7
97.10163	12.6
105.07022	25.2
107.04957	16.3
107.08596	13.5
109.02879	1.7
109.06506	4.9
109.10149	6.5
111.04467	1.8
111.08070	8.7
115.05476	3.9
117.07037	10.8
119.04922	2.4
119.08595	18.7
121.06483	10.2
121.10129	9.5
123.04401	3.6
123.08060	5.3
125.09618	12.4
128.06218	3.0
129.06993	18.3
131.04932	5.7
131.08560	15.1
133.06470	7.9
133.10129	8.3
135.04411	2.0
135.08041	6.4
135.11656	2.6
137.05954	2.2
137.09618	2.6
141.07016	4.0
142.07770	3.0
143.08551	6.2
144.05699	3.6
145.06468	24.0
145.10092	7.4
147.04437	1.7
147.08017	8.0
147.11703	8.7
149.09641	6.3
151.07507	2.4
153.07150	1.3
153.09087	2.9
155.08546	5.8
157.06551	6.3
157.10098	12.1
157.54379	1.2
159.07994	6.5
159.11703	2.1
161.05991	4.1
161.09663	1.8
163.11116	1.6
165.09158	3.4
165.12810	2.0
167.07140	2.0
167.08522	3.1
169.06438	2.4
169.10114	4.0
171.08035	9.6
171.11630	2.8
173.09659	2.7
175.11174	14.1
179.08615	1.4
181.10114	2.9
183.08090	2.3
183.11656	1.9
185.09602	3.7
187.11143	2.4
187.14717	1.7
189.09207	1.5
189.11208	5.6
193.10446	2.6
193.12228	53.1
195.11719	5.3
197.09622	1.3
197.13251	3.0
199.11235	2.1
201.12573	1.8
205.12236	2.2
211.11176	2.0
213.12679	2.8
215.14305	2.4
217.12267	1.3
223.11183	2.0
225.12657	2.0
225.16251	1.4
227.14325	3.5
231.13835	1.9
233.15346	1.8
237.12685	4.4
243.13582	1.8
243.17624	1.2
245.15425	1.6
249.14893	6.0
251.26616	1.2
255.13736	7.5
259.13364	1.7
273.14774	18.4
287.16422	2.3
290.19513	1.5
295.17206	1.4
339.23306	7.1
349.21558	18.3
357.24231	4.9
367.22653	38.4
375.93106	1.5
385.23709	37.4
386.24146	2.0
403.24805	7.9
405.24203	2.9
423.25250	2.8
441.26379	5.1
459.27386	99.2
460.27686	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	459.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.01865	7.6
55.05502	27.2
57.03430	5.7
57.07081	0.8
59.04992	1.5
59.59159	0.6
65.03936	1.9
67.05493	39.2
69.03426	4.5
69.07059	9.4
71.04984	3.8
71.52536	1.1
77.03910	0.8
79.05480	45.7
81.03405	86.9
81.07041	36.5
82.07407	0.8
83.04973	11.1
83.08604	24.2
85.02869	1.0
85.06527	1.9
91.05464	47.3
92.05817	0.9
93.07028	26.8
95.01288	0.6
95.04953	31.0
95.08591	15.6
97.02884	2.5
97.06496	3.9
97.09538	1.1
97.10153	16.8
99.08040	1.4
103.05468	1.8
105.03384	1.2
105.07013	33.6
107.04939	21.2
107.08580	16.8
109.02863	0.6
109.06496	9.0
109.10142	8.1
111.04422	1.6
111.08061	8.6
113.05954	1.1
115.05399	2.8
116.06230	0.7
117.07005	11.1
119.04921	2.0
119.08559	23.9
120.13812	0.6
121.02872	0.8
121.06480	13.4
121.10127	10.4
123.04421	3.1
123.08079	6.1
123.11710	1.8
125.05979	1.3
125.09609	11.9
128.06180	3.2
129.06981	20.4
130.07806	0.8
131.04877	4.7
131.08537	19.7
133.06476	9.9
133.10101	14.9
135.04376	0.9
135.08022	4.9
135.11670	2.5
137.05971	2.0
137.09573	2.9
141.06966	4.0
142.07756	3.4
143.04906	0.7
143.08530	6.1
144.05698	2.0
145.06459	21.1
145.10103	7.7
146.07159	0.6
147.04402	2.0
147.08017	8.4
147.11656	13.1
149.05984	1.3
149.09599	7.7
151.07553	2.6
153.06995	1.7
153.09077	3.6
153.12787	1.4
154.07747	1.0
155.08524	5.4
157.06482	4.2
157.10106	15.4
159.08029	5.1
159.11691	2.5
161.05946	3.9
161.09581	3.9
161.13229	1.0
163.03911	0.7
163.11156	3.2
163.14751	0.6
165.07008	0.9
165.09113	3.6
165.12726	3.1
167.07117	1.1
167.08527	2.7
169.06485	2.6
169.10069	3.8
171.08023	6.8
171.10262	1.1
171.11671	4.2
173.09573	2.8
173.13235	0.7
175.07515	1.7
175.11151	13.9
177.12712	1.2
179.08495	1.3
181.06465	1.1
181.10092	1.8
183.08035	2.6
183.11684	2.7
185.06049	0.6
185.09642	3.3
185.13243	2.8
187.11169	2.4
187.14796	1.4
189.09198	1.4
189.11189	5.7
189.12744	1.9
191.10651	1.2
193.12212	43.5
195.08018	2.0
195.11684	3.6
197.09587	1.4
197.13202	3.6
199.07587	0.8
199.11182	2.8
201.12785	1.0
203.14301	1.0
205.10301	0.9
205.12228	2.0
207.11684	1.0
209.13264	1.7
211.11279	1.3
211.13309	2.4
213.12733	3.0
215.10660	0.7
215.14304	3.4
217.12206	1.6
217.15909	0.6
219.11765	0.9
221.13329	0.8
223.11266	1.2
225.12779	1.9
227.14305	2.6
229.15837	0.7
231.13808	2.5
233.15321	4.4
237.12747	2.6
239.14273	1.1
241.12297	0.7
243.13857	1.0
245.15323	1.5
249.14772	5.1
251.14282	1.3
253.15736	0.7
255.13785	5.2
257.15341	1.4
259.13272	1.4
269.15140	1.7
271.16898	1.8
273.14832	16.4
275.16382	1.5
281.15454	0.7
283.16977	1.5
287.16443	2.2
289.17914	1.1
299.16400	1.1
311.16321	1.2
321.22198	1.4
325.18146	0.9
328.69766	0.6
331.20590	1.0
339.23184	5.5
349.21585	14.1
350.22253	0.7
357.24072	5.5
358.24106	0.7
367.22610	33.0
368.23132	1.2
385.23685	33.3
386.24060	1.0
403.24634	7.7
405.24066	1.8
423.25607	1.5
441.26437	5.1
459.27325	100.0
460.27737	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94342	2.5
54.38364	1.8
55.01848	2.5
56.05014	6.2
57.03413	4.0
61.02894	2.9
62.06054	2.0
69.03410	9.3
70.06587	3.4
70.15303	4.0
70.15702	5.2
72.08141	2.6
72.99046	2.0
73.06580	2.4
74.06071	100.0
81.03407	6.0
83.77090	2.6
84.04479	6.5
85.02900	19.8
86.09657	2.6
89.61604	1.9
91.05474	2.8
94.06561	4.6
97.02881	9.0
98.06046	13.2
99.04420	2.4
102.05516	10.9
107.05005	2.3
109.02845	7.5
116.07090	44.2
118.06528	8.4
120.04464	15.3
120.06559	21.3
123.04413	4.7
126.05466	6.9
127.03895	4.6
130.06514	3.1
132.08089	6.6
136.07578	10.6
137.05991	2.4
139.03854	5.5
144.06546	58.9
145.04942	2.8
146.05949	14.3
151.03880	3.2
152.07021	6.7
158.67624	2.8
160.07571	17.1
162.07591	10.2
172.07576	6.6
202.08485	2.5
214.08617	3.0
228.08612	3.2
246.09703	2.8
270.09717	11.3
280.11658	4.4
288.10776	7.2
298.12814	56.9
306.11774	6.1
331.92642	1.9
467.12344	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	460.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.6
55.01628	0.8
55.01868	8.8
55.05465	0.5
57.03433	6.1
60.04499	1.9
61.02925	5.7
65.03925	0.7
67.05500	0.9
68.99771	3.8
69.03423	28.4
69.63755	4.5
70.06587	1.0
71.04998	4.6
73.02911	7.0
77.39410	0.7
79.05493	1.7
81.03412	29.3
81.07034	1.8
83.01343	1.1
85.02898	78.1
87.00819	30.6
87.01355	1.3
87.04517	0.6
91.03933	2.1
91.05449	2.2
93.07035	1.1
95.04934	1.0
97.02885	30.1
98.06007	0.8
99.04449	14.1
101.02383	0.8
103.03944	1.0
103.05453	5.4
105.01858	28.7
105.06996	3.6
105.14561	0.6
107.04948	7.7
108.04466	9.3
109.02866	30.4
109.72615	0.6
111.04422	0.8
115.03930	0.8
115.05463	0.9
117.01861	4.3
119.04859	1.1
120.04430	0.7
120.05701	0.7
121.06518	1.1
126.05511	4.5
127.03904	54.6
128.04137	0.6
129.01843	3.6
131.04938	1.1
133.06342	0.6
133.10120	0.8
135.08046	5.4
137.05968	1.3
139.03893	3.5
144.06631	0.7
145.04948	24.9
147.02856	2.5
147.04390	1.8
154.06229	31.6
159.02887	17.4
163.07532	26.7
163.08607	0.8
165.05490	1.7
165.09116	1.2
167.07054	2.2
177.03865	0.9
180.07857	1.7
186.07574	0.8
189.03899	1.2
193.08565	1.2
195.10150	100.0
196.10507	2.9
207.10086	0.9
213.03868	3.0
219.10216	0.8
220.33168	0.5
225.08894	0.9
230.06538	2.9
231.04982	12.3
241.47055	0.7
248.07620	6.3
249.05902	1.3
266.08643	1.8
285.11252	1.0
303.12079	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	25.8
57.03397	27.7
58.39972	18.5
68.72187	18.4
69.03414	24.5
69.68396	31.0
69.68800	92.4
73.02904	44.7
80.27769	20.4
85.02878	62.7
91.05447	23.0
97.02880	55.8
98.21448	27.8
99.90970	19.9
109.02864	25.9
113.50253	20.1
117.13526	21.4
127.03877	48.8
145.05013	44.4
147.04372	59.5
285.16656	21.1
461.19897	100.0
462.81430	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	460.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	13.9
53.57509	4.9
55.01850	6.6
55.05503	7.5
56.05030	7.5
56.90345	5.1
57.03426	14.5
61.02934	6.7
67.05495	7.5
69.03429	39.9
69.07025	9.6
69.57652	36.2
69.58066	8.4
70.06567	10.2
71.04974	31.4
73.02904	11.7
74.06065	19.9
74.09702	5.6
79.05522	5.2
81.03410	31.8
81.07023	7.2
83.04999	10.1
85.02900	49.1
87.04471	19.1
89.06023	100.0
91.05451	29.1
93.07047	10.4
95.04939	9.8
95.08588	10.6
97.02887	76.8
98.20752	10.4
99.04441	28.7
102.05524	10.3
102.41491	5.5
104.75694	6.7
105.06992	31.3
107.04970	8.5
107.08569	16.9
109.02869	36.0
109.06439	6.7
109.10149	7.1
110.10777	6.3
111.04462	5.4
113.06031	5.1
115.03925	19.2
119.04926	18.1
119.08556	6.4
123.04414	12.0
124.07539	9.9
127.03905	43.2
131.04967	9.1
133.04948	12.6
133.06470	8.1
135.06520	23.4
135.07983	7.3
135.11652	12.3
136.04997	5.5
137.05954	25.2
139.03885	7.1
141.05417	14.3
143.07095	5.9
145.04913	29.6
147.04395	86.7
147.81096	6.4
149.09645	11.7
151.03925	7.1
151.07585	9.8
152.06966	6.3
153.47461	5.5
159.06516	14.4
161.05969	20.3
163.03928	7.1
164.10730	14.3
165.05463	13.0
165.11043	6.5
167.07004	10.4
167.10693	9.9
176.09154	18.9
177.05470	9.9
179.06956	10.3
189.05524	7.9
193.08551	7.2
207.06496	14.4
249.07472	5.9
252.09387	19.6
261.09561	8.6
263.99384	7.4
298.15085	6.5
328.17245	6.1
455.12476	8.7
460.20947	16.2
461.20111	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	461.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01871	0.8
55.05484	0.4
57.03417	0.7
57.07028	0.5
58.35181	0.4
64.43877	0.4
69.03418	1.0
69.07043	0.5
70.12989	2.0
71.04980	0.4
73.02926	0.6
79.05479	2.1
81.03411	1.1
81.07032	0.8
85.02918	1.4
85.06516	0.5
91.05483	1.0
93.07026	0.9
95.04958	2.0
95.08625	0.5
97.02927	0.6
105.07035	0.8
107.04948	100.0
107.08568	0.8
108.05280	1.8
109.02864	0.5
109.10173	1.0
119.08559	0.9
121.02847	1.9
121.10125	0.5
123.04458	0.9
127.03961	0.5
131.04881	0.5
133.10147	0.6
135.04391	0.4
137.05956	0.9
145.75969	0.4
147.04364	0.5
149.09566	0.4
151.03888	1.3
161.05992	0.9
163.51160	0.4
165.01836	1.6
165.05490	0.5
167.06984	0.8
177.05486	1.0
179.03406	1.1
183.02905	0.7
189.05476	3.4
193.04988	1.2
203.06998	1.6
204.04082	0.5
205.04951	16.7
206.05629	1.3
217.04916	3.1
217.08504	0.5
226.78993	0.5
227.06941	0.7
229.04979	0.9
230.05644	0.7
231.02893	0.6
231.06493	5.6
235.05986	12.1
243.06468	0.6
244.07375	0.5
245.08086	2.8
254.05687	0.5
255.06561	0.5
259.06042	2.7
271.06030	2.1
282.05295	1.0
283.06018	0.7
299.09058	2.4
301.07092	1.2
311.09125	36.6
312.09369	0.9
323.09091	1.4
325.10834	0.6
337.10690	3.2
341.10175	30.3
342.10626	1.5
351.12180	2.9
361.10760	1.0
365.10178	19.8
366.10544	1.0
377.10147	4.5
379.11719	0.9
389.10175	4.8
390.10617	0.5
395.11261	11.7
407.11240	9.4
408.11661	0.6
425.12308	9.5
443.13324	5.1
461.14801	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.9
55.01867	6.4
55.05509	25.3
57.03432	8.5
57.07069	2.9
65.03927	3.2
67.05499	68.6
69.03430	5.6
69.07059	20.8
69.29588	17.0
71.04967	3.4
76.22768	1.7
79.05486	60.0
81.03414	58.9
81.07047	74.1
82.90065	1.6
83.04964	12.2
83.08610	27.6
85.06538	2.9
91.05473	51.5
93.07037	52.5
93.07626	2.6
95.04961	35.6
95.08601	26.7
97.06521	10.5
97.10150	7.5
99.08084	4.3
105.07021	43.7
107.04952	10.7
107.08586	28.6
109.06505	8.2
109.10138	8.0
111.04408	1.9
111.08095	11.3
115.05433	2.9
117.07004	22.1
119.04915	3.4
119.08582	23.0
121.06499	12.7
121.10147	18.9
123.04469	1.7
123.08103	3.9
123.11724	2.5
125.09621	7.0
128.06215	2.5
129.07004	19.5
131.04945	2.6
131.08557	26.5
132.35414	1.8
133.06491	7.2
133.10121	16.7
135.08080	4.8
135.11682	4.1
137.05907	3.1
141.07018	5.8
142.07780	3.2
143.08554	10.5
145.06537	8.0
145.10097	11.7
147.08051	9.3
147.11685	9.9
149.09599	5.5
149.13232	18.7
151.07532	4.3
151.11183	2.3
155.08597	5.9
157.10124	12.7
159.08090	4.1
159.11688	12.4
161.09630	2.9
163.11160	3.7
165.09113	2.1
167.08588	2.7
169.10037	2.7
171.08109	2.8
171.11748	5.7
173.09639	3.5
173.13243	2.0
175.11180	8.5
177.12720	5.0
181.10098	3.0
183.11687	3.7
185.13211	2.8
187.11194	2.8
189.11176	4.3
193.12209	24.9
195.11642	2.3
195.13786	5.2
197.09680	1.9
197.13148	2.2
199.14771	5.3
203.10786	2.2
203.14323	2.6
205.12138	2.7
213.12740	3.0
217.15857	6.2
222.25661	2.0
227.12660	2.4
237.46222	2.0
249.14825	4.1
266.38101	1.5
333.22116	1.7
341.24765	2.8
343.22552	4.0
351.23126	11.3
361.23694	3.2
369.24152	21.3
387.25360	16.9
405.26343	4.0
407.25034	1.9
417.26331	9.4
443.27890	24.0
461.28928	100.0
462.29297	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	461.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.2
55.01875	9.4
55.05264	2.6
55.05505	33.4
55.56442	1.7
57.03422	8.4
57.15055	1.8
59.04975	1.9
65.03931	4.7
67.05501	64.8
69.03429	3.7
69.07065	20.3
70.98337	3.9
71.04976	6.5
79.05488	61.1
81.03414	51.2
81.07049	74.8
83.04982	12.2
83.08611	22.5
83.37003	1.7
85.02889	2.9
85.06541	6.5
87.73223	1.6
91.05475	68.3
93.07034	58.4
94.67796	1.8
95.04958	31.6
95.08601	25.8
97.02879	2.0
97.06540	9.8
97.10165	12.7
99.08051	1.8
102.90124	1.6
103.05476	2.4
103.14233	1.9
105.07027	45.2
105.07696	3.8
105.08526	2.1
106.07342	2.1
107.04955	18.1
107.08591	26.4
109.06503	7.8
109.10158	10.7
111.08060	10.9
115.05435	4.1
117.07014	22.5
119.04936	1.9
119.08574	24.5
120.08973	2.9
121.06500	11.7
121.10127	17.8
123.08036	3.4
123.11678	2.7
125.09617	7.7
128.06221	4.3
129.06995	19.2
129.42595	2.0
131.04926	2.8
131.08560	31.3
133.06480	7.8
133.10121	20.9
135.08034	5.8
135.11678	7.0
137.06041	2.8
137.09637	2.6
139.11252	1.9
141.06949	6.7
142.07771	2.9
143.08542	14.9
145.06468	11.3
145.10101	11.6
147.08054	9.5
147.11650	11.2
148.72977	1.8
149.09633	4.9
149.13248	16.4
151.07570	2.8
155.08488	8.9
157.10101	14.3
159.08018	6.0
159.11722	14.7
161.04752	2.0
161.06035	2.5
161.09627	5.2
161.13287	2.3
163.07524	4.7
163.11153	3.9
165.09044	2.2
165.12601	1.9
167.08554	3.2
169.10150	7.1
169.12273	1.9
171.08055	3.8
171.11711	4.3
173.13234	3.6
175.11195	9.1
176.95525	1.6
177.12793	5.7
181.10049	3.4
183.11710	5.1
185.07898	1.9
185.09485	2.7
185.13245	1.8
187.11182	2.5
189.09100	2.2
189.11264	4.8
193.12242	20.6
195.11792	2.1
195.13867	6.7
197.13225	3.5
199.14815	2.0
201.12836	2.9
203.14494	2.7
209.13217	2.5
215.14346	2.1
217.15887	4.5
219.14035	1.9
225.12761	1.9
227.12692	1.9
237.97717	5.1
239.14447	2.8
249.14911	4.3
257.15359	2.8
333.21991	2.0
341.24783	4.3
351.23123	12.6
369.24075	21.5
376.39822	2.0
387.25281	15.3
405.26044	2.5
417.26346	3.7
425.26910	2.5
433.29263	2.2
443.27921	29.8
461.19257	4.1
461.28967	100.0
461.41956	4.3
462.29492	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.4
55.01864	4.9
55.05506	24.1
57.03421	7.3
65.03925	3.7
65.53861	1.9
67.05131	3.0
67.05495	58.0
69.03409	2.7
69.07060	20.0
69.23381	1.8
70.56879	6.0
71.04982	4.0
79.05485	48.4
81.02926	2.7
81.03410	72.5
81.07044	73.1
83.04961	10.1
83.08164	2.1
83.08611	27.9
85.02912	2.2
85.06532	3.4
91.05471	44.5
91.87665	1.9
93.06480	3.1
93.07033	50.8
95.04958	36.4
95.08588	21.8
97.06541	8.7
97.10156	7.0
99.08118	1.8
104.75293	1.7
105.07021	29.7
107.04932	11.4
107.08582	24.9
109.06499	6.6
109.10152	7.9
111.08064	14.2
111.11700	2.4
115.05415	2.0
117.06982	12.9
119.08566	19.3
121.06476	9.4
121.10141	19.6
123.08033	4.5
123.11658	3.2
125.09634	7.0
126.15119	2.1
129.06998	16.2
131.08546	21.8
133.06456	5.4
133.10106	17.1
135.08018	3.2
135.11678	8.6
141.06990	4.0
143.08542	5.4
145.06467	8.0
145.10121	8.0
147.08026	6.6
147.11703	10.9
149.09608	6.2
149.13242	22.7
151.11168	2.3
153.08992	2.4
155.08578	3.1
157.10083	8.1
159.07979	3.1
159.11647	11.6
163.11166	5.3
167.08536	2.7
169.10072	4.0
171.11664	1.9
175.11174	6.1
177.12732	4.1
182.06671	2.2
183.11659	2.6
189.11220	4.1
193.12215	26.5
195.13852	5.2
197.13185	2.4
215.14417	2.3
217.15956	4.5
225.70630	2.3
249.14890	5.8
257.15469	2.5
341.24738	2.6
343.22656	7.0
351.23004	5.4
361.23642	2.4
369.24152	12.1
387.25266	11.3
405.26160	2.6
417.26288	6.3
443.27701	13.2
461.28937	100.0
461.69522	2.1
462.29419	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	461.362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	33.5
57.07075	68.9
61.91644	7.0
66.81233	6.2
67.05490	29.6
69.07053	53.1
71.04968	9.4
71.08627	44.9
71.26108	6.4
71.26430	9.0
79.05476	13.9
81.07040	100.0
83.05001	6.5
83.08614	46.2
85.10170	20.9
91.05484	8.7
93.07011	19.2
95.04983	8.9
95.08609	61.4
97.10140	31.8
99.04443	17.7
105.07008	19.1
107.08569	23.8
109.06516	11.3
109.10158	33.2
111.11697	19.6
119.08570	11.8
121.10115	17.8
123.11672	14.4
125.13206	7.9
127.03883	35.1
131.38509	6.2
135.08035	12.0
135.11655	9.6
137.05957	95.7
145.10124	16.1
149.13171	11.2
151.07498	12.8
159.08061	9.5
159.11671	21.4
163.07491	8.7
165.09152	9.0
167.07097	11.2
173.09601	63.2
175.11168	8.6
177.09119	12.5
183.06526	13.6
187.11142	54.1
191.10735	13.1
193.08665	7.8
197.07983	6.8
201.12730	10.7
205.12207	22.4
215.01787	7.0
335.33386	8.3
383.33160	53.4
388.09738	8.6
397.34543	7.6
401.34030	66.2
425.34067	10.3
443.34897	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	461.3621
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
55.05502	30.6
57.06823	3.5
57.07071	41.7
59.97546	2.0
64.66786	2.7
67.05499	17.6
69.03421	3.2
69.07063	52.8
70.71114	8.4
71.08625	33.4
73.39140	2.2
79.05481	17.3
81.03395	6.8
81.07050	51.6
83.04949	3.6
83.08614	23.1
85.06487	2.8
85.10181	24.1
91.05475	16.5
93.07040	30.8
95.04951	5.5
95.08047	4.3
95.08605	43.2
97.10169	21.0
99.11713	3.4
105.07029	28.2
107.04955	44.0
107.08578	28.0
107.71841	2.6
109.02870	5.9
109.06499	11.8
109.10145	22.6
111.08118	2.9
111.11708	13.9
117.06995	10.2
119.08572	24.7
121.06495	11.3
121.10125	18.9
123.08037	3.0
123.11688	12.5
125.13274	4.6
128.06194	3.7
129.06989	12.0
131.08553	21.9
133.06491	13.3
133.10124	26.8
135.08022	8.4
135.11678	15.5
137.05956	7.4
137.13217	7.3
143.08565	17.0
145.06464	5.0
145.10112	27.5
147.08028	15.5
147.11670	18.1
149.09537	4.1
149.13235	8.8
151.07550	6.9
155.07005	2.4
155.08488	5.1
157.10107	11.6
159.08018	2.9
159.11690	19.4
161.09601	14.6
161.13245	16.2
163.11118	2.8
163.14828	5.1
165.09094	4.3
168.40927	2.3
169.08598	9.3
169.10008	4.7
171.08044	13.2
171.11662	16.4
173.09590	4.7
173.13266	7.4
174.29852	2.5
175.11128	7.5
175.14761	5.1
177.16324	3.7
183.11690	8.9
185.13232	13.5
187.14854	7.1
189.09093	20.1
189.12769	4.9
189.16415	3.2
197.13266	8.2
199.14796	10.1
201.12836	2.7
201.16391	4.3
203.14375	3.6
207.10190	5.3
207.21021	3.5
211.11069	2.9
211.14822	5.8
213.12593	3.1
213.16292	4.4
217.12306	6.4
225.12680	4.2
225.16339	4.5
227.14362	2.9
229.12268	4.0
229.15756	3.3
243.13768	7.7
245.15477	3.0
247.13348	3.4
257.15323	3.7
261.15317	2.4
267.17505	3.2
271.16925	3.8
276.81610	2.3
285.18472	10.9
299.19839	3.3
301.28787	10.9
303.19705	3.8
313.21588	5.9
317.13547	2.9
325.29041	4.2
327.23129	4.3
341.24878	3.8
341.32178	4.2
343.29895	13.1
355.26120	3.8
365.31909	3.5
379.33560	3.5
383.32913	8.1
385.31012	5.0
397.34592	6.2
401.34183	14.8
403.32010	14.3
407.32813	13.4
415.35718	3.0
425.34155	68.3
426.34442	4.2
443.35181	100.0
444.35330	6.1
461.36279	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	461.3622
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
51.07856	4.8
53.03938	7.1
55.05507	42.0
57.07069	17.8
67.05492	22.6
68.43108	4.2
69.07063	74.0
69.27785	34.9
69.28205	9.6
71.08626	12.7
79.05493	16.4
81.07051	74.6
83.04967	10.4
83.08609	47.4
85.10169	6.2
91.05479	12.3
93.07037	24.2
95.01712	4.0
95.04947	6.7
95.08607	58.0
97.06546	6.1
97.10162	28.1
98.20789	8.1
105.07001	20.6
107.08574	27.9
109.06510	22.3
109.10143	29.7
111.08089	5.0
111.11719	13.0
119.08577	9.6
121.06490	6.7
121.10158	12.7
123.08041	8.4
123.11693	18.0
125.05978	33.2
131.08607	5.0
131.52927	3.8
133.06483	16.1
133.10101	9.0
135.08051	15.4
135.11662	5.0
137.05959	93.5
137.06955	8.2
137.09608	11.4
137.13179	4.7
139.07527	33.5
145.10091	6.7
147.11659	7.3
149.05983	9.2
149.09636	19.4
149.13260	12.0
151.07541	41.5
159.11716	7.2
161.06000	18.5
161.09621	5.6
162.40343	4.2
163.07568	11.9
163.11137	5.3
165.05472	5.4
165.09108	81.2
167.07057	15.8
169.10124	5.9
173.09552	6.9
173.13223	3.8
175.11127	6.9
177.09117	14.5
179.07024	85.5
179.10645	6.5
181.08670	5.5
183.11668	6.2
188.11981	6.7
189.09062	9.5
189.12767	12.3
191.10719	7.4
201.12617	5.4
202.09920	9.7
203.10683	26.4
203.14284	4.9
205.12270	16.4
207.13716	5.1
217.12303	9.2
219.13722	7.2
229.12151	7.3
231.13889	7.8
235.13354	4.9
397.34744	7.2
415.35614	10.4
425.33868	15.1
433.36646	12.3
443.35199	100.0
461.36206	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
67.05491	0.4
69.03416	0.7
71.04969	1.1
71.52143	0.6
73.02902	0.4
79.05481	0.4
81.03423	0.6
81.07042	1.4
84.04466	0.4
85.02917	1.8
90.90819	0.3
91.05453	1.8
95.04927	0.4
97.02878	0.8
97.05294	0.4
98.09677	0.4
107.04905	0.3
108.08098	0.8
109.06518	1.6
109.58456	0.4
110.06036	0.6
119.04933	3.1
126.09145	1.0
126.10417	0.4
127.03890	0.5
137.05988	4.0
139.06242	0.7
140.91985	0.3
147.04398	11.0
151.03894	1.3
151.04973	0.4
152.07037	0.8
154.08615	100.0
155.08972	1.3
160.92603	0.3
161.05907	0.3
163.03912	0.5
164.07005	0.4
188.03726	1.0
204.21629	0.4
238.41171	0.3
297.11142	0.4
300.15848	0.4
301.15323	0.3
314.06976	0.4
316.13928	1.0
462.21054	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2118
Annotation	Glucoerysodine
Peak:m/z	Relative Intensity
51.02356	0.4
53.03923	0.7
61.02910	0.5
69.03416	1.3
69.54650	2.9
71.04967	0.5
79.05488	1.1
81.03421	1.1
85.02903	2.1
91.05468	1.5
93.07023	1.0
95.04983	1.1
97.02924	1.2
103.05452	1.0
107.04944	81.9
108.05281	1.1
109.02853	0.6
109.06519	0.8
110.97586	0.4
115.05440	7.4
116.78024	0.4
117.07005	1.3
119.04964	1.2
121.02890	1.2
121.06496	8.0
127.03905	0.6
129.07031	0.5
131.04910	1.7
137.05957	9.2
143.04907	15.6
145.06471	9.5
145.07625	0.5
147.04491	0.8
149.06056	0.5
150.08989	0.4
151.07550	1.7
160.05319	0.6
161.05975	1.0
162.09106	1.0
163.07510	2.0
166.07719	0.6
175.07535	7.0
177.07808	1.2
177.09145	0.9
178.08603	1.4
179.01649	1.5
180.10164	2.4
181.06433	0.6
181.10121	0.7
191.08563	1.9
192.10167	11.3
194.07266	1.6
195.08029	0.6
197.09686	0.9
197.23116	0.5
205.04610	0.5
206.11768	0.7
209.06215	0.4
209.09578	7.4
209.11359	0.6
211.04218	0.6
211.07674	0.6
211.11206	0.7
219.08078	2.0
225.09122	1.0
237.09047	7.8
238.09758	0.7
239.06969	0.7
239.10730	0.5
251.10770	0.9
254.09367	1.3
256.11423	0.5
268.13290	1.0
269.11682	22.5
270.12018	0.6
271.13321	0.7
300.15912	92.3
301.16199	3.4
453.84509	0.5
462.21191	100.0
463.15463	1.3
463.21582	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	462.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.0
57.19848	2.6
62.98389	2.7
66.02294	2.4
69.03416	5.1
70.06577	3.4
70.37877	2.6
71.04998	4.0
73.02903	2.5
81.03394	4.5
81.07050	2.5
85.02890	8.4
91.05457	5.8
97.02914	4.0
99.04426	4.6
105.07040	14.9
107.04948	88.8
109.02903	3.5
109.06492	3.8
109.10114	3.5
112.07596	3.2
115.05445	7.4
117.06969	3.3
118.63887	2.6
119.04950	2.8
121.02804	2.8
121.06494	7.6
123.04457	3.9
127.03944	8.0
131.04938	4.1
132.08104	3.3
133.06474	46.7
133.07439	3.5
136.07689	2.6
137.05974	79.2
139.03860	4.7
140.07082	3.6
143.04893	13.4
145.06491	9.2
147.04422	8.1
148.04750	4.3
149.06006	3.5
150.09129	5.6
151.07567	3.6
151.11104	3.2
154.08617	81.5
154.09802	4.3
163.07539	7.2
165.09125	26.2
175.07571	11.2
183.10141	24.3
191.07103	2.7
192.10240	11.6
197.09616	2.6
206.10283	3.2
209.09644	3.9
216.30263	2.7
237.09148	5.7
239.12796	4.8
257.13818	54.0
269.11691	19.1
300.15927	92.8
325.07175	2.9
339.98401	2.7
397.35309	2.6
462.21271	100.0
487.58978	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	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81470	1.4
55.01869	9.1
55.05499	1.6
57.03431	12.0
59.05003	2.1
61.02911	8.3
67.05490	1.6
69.03425	20.1
71.01341	1.6
71.04997	7.2
71.53280	1.9
73.02912	45.4
79.05474	3.6
81.03410	5.6
81.07070	2.7
84.25928	1.3
85.02900	58.4
86.09719	1.6
87.04445	2.2
87.28912	1.4
91.03960	1.9
91.05477	5.3
93.07035	3.2
95.04962	2.6
95.08614	2.2
95.94854	1.6
97.02885	34.6
99.04449	2.6
103.05457	2.0
105.07023	81.3
107.08592	2.3
109.02893	5.2
109.06532	1.3
109.10143	1.9
113.17973	1.4
115.03927	15.7
119.04939	2.3
119.08564	1.8
120.04436	2.9
121.02905	2.7
121.10121	2.0
123.04411	2.3
127.03904	15.4
129.05490	1.7
131.08582	7.3
132.08929	2.6
133.04962	17.4
133.10120	100.0
134.10460	2.1
135.11736	1.6
137.05974	3.5
139.66852	1.5
145.04945	20.9
145.10130	3.1
147.04404	4.5
150.07602	3.8
151.03914	2.1
151.07533	2.2
157.10088	4.3
161.09613	1.9
163.06038	8.6
165.05464	8.9
167.07101	2.2
167.10706	1.4
173.09779	1.4
175.11212	3.2
186.01976	1.6
210.61911	1.4
229.12248	3.8
241.07118	4.5
244.09576	2.8
247.13249	2.4
259.08148	4.5
277.08948	2.4
301.07159	3.8
301.11859	1.6
302.04169	2.5
313.16333	2.0
317.06589	13.8
473.83749	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01855	1.2
55.05489	0.5
57.03440	2.7
57.07067	0.7
59.04992	0.3
61.02913	2.8
65.80059	0.4
69.03429	5.0
69.05944	0.3
69.75241	2.2
71.01338	0.6
71.04988	0.7
73.02914	15.0
75.04456	0.6
79.05473	1.0
81.03403	1.1
83.04992	0.5
85.02902	8.5
87.04503	0.6
91.03924	0.5
91.05479	4.8
93.07040	1.0
95.04976	0.4
97.02886	8.4
98.20787	0.4
103.03929	0.5
103.05463	0.9
105.07024	22.0
107.04962	0.5
107.08601	0.5
109.02882	0.9
115.03938	4.1
115.05433	1.1
117.07010	2.6
118.07790	1.3
119.04920	0.4
119.08588	0.8
121.06470	0.4
123.04427	0.6
127.03911	3.3
129.06969	1.5
131.08539	2.7
132.06563	0.5
133.04973	3.8
133.10121	100.0
134.10457	1.3
135.04428	0.5
137.05983	1.7
141.06999	0.4
145.02945	0.4
145.04945	3.9
145.06509	0.8
147.04308	0.4
147.07956	0.6
147.11693	3.1
150.07603	0.9
151.07549	1.6
152.07910	0.7
153.01706	0.4
156.10188	0.7
157.06471	0.8
159.11691	0.4
163.03902	1.1
163.05995	1.3
164.04247	0.8
171.11664	0.6
173.13213	0.7
175.11172	1.9
177.05470	0.8
187.07568	0.8
187.11168	1.3
199.06064	0.5
199.11098	1.8
201.12701	0.8
217.12230	0.8
223.06116	0.7
229.12267	1.1
241.07182	0.9
247.13414	2.7
259.08047	1.1
259.13290	0.7
283.09464	0.4
299.09253	0.4
300.09476	0.6
302.04208	0.5
317.06543	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	463.1228
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
55.05501	1.0
57.03426	3.9
57.74332	0.7
59.23756	0.7
60.68291	0.6
61.02918	0.8
67.05478	0.8
69.03400	2.3
69.38075	1.7
69.38477	6.4
71.04607	1.7
71.04990	28.2
72.55969	0.8
73.02902	2.4
81.03388	0.7
81.07071	0.8
83.04948	2.3
83.94520	0.8
85.02896	27.0
87.04447	1.4
91.05449	1.2
92.02567	1.2
93.07033	0.8
96.29353	1.0
97.02877	1.1
98.14259	0.7
111.04432	1.0
121.02879	1.8
124.19920	0.8
129.05458	5.1
137.05966	1.8
139.03891	1.7
147.06386	0.8
151.03963	1.4
151.11153	2.5
153.01802	6.2
154.02245	0.7
161.05928	0.9
163.03954	0.7
163.07578	0.9
165.01857	1.0
167.07068	1.0
201.05495	1.1
217.04927	1.0
228.04114	2.0
229.04979	3.1
240.81993	0.7
241.86800	0.9
245.04407	1.8
246.05197	1.9
254.93977	0.8
257.04462	2.2
258.05304	1.9
273.04141	1.3
273.07568	7.3
274.04871	3.8
285.03857	4.0
286.04602	1.0
287.05447	3.0
301.07071	3.6
301.10684	8.1
302.04184	10.5
317.06531	100.0
318.06830	3.4
326.48877	0.8
329.06274	1.0
359.07617	1.9
383.07382	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.123
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
55.05489	1.1
57.03436	5.7
69.03426	1.9
70.33270	3.2
70.33652	2.0
71.04597	1.5
71.04990	25.2
71.11633	0.8
71.13329	0.9
72.18510	1.1
73.02924	1.1
76.80053	0.9
81.07054	2.2
85.02384	1.4
85.02900	28.1
92.02644	1.1
111.04487	1.1
115.03649	0.9
121.02862	1.8
121.10107	1.1
123.04434	1.3
129.05467	6.0
137.06061	1.5
147.06612	1.1
151.03931	1.7
153.01839	5.8
164.16986	1.0
165.01939	0.9
173.95592	0.9
177.05318	1.0
182.96500	1.1
186.27682	1.0
228.04254	1.6
229.04945	3.0
245.04362	1.0
246.05179	1.3
257.04477	1.8
273.03946	2.2
274.04688	3.8
285.03937	3.8
297.07727	1.0
302.04150	10.7
317.06546	100.0
318.06790	2.3
329.06659	1.4
359.07700	1.8
427.10245	1.4
474.01489	1.0
474.86774	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1228
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
53.75997	0.5
55.01883	0.6
55.05507	1.2
57.03436	4.6
61.02908	0.8
65.03939	0.5
67.05498	1.1
68.31462	0.5
69.03414	1.3
69.07058	0.7
70.33820	0.9
70.34167	1.8
71.04984	27.8
73.02909	1.1
75.04469	0.8
75.17990	0.6
78.96445	0.5
81.07039	2.5
83.04981	0.8
85.02895	30.4
87.04495	0.9
91.05453	1.2
93.07024	1.2
95.08556	1.9
97.02849	1.0
105.07022	1.6
106.07365	0.6
107.08558	1.1
109.10124	2.1
111.04450	0.8
119.08560	0.7
121.02811	1.5
121.10158	0.6
123.04364	1.1
129.05469	6.1
131.08577	0.6
133.10126	2.6
135.11673	0.8
137.06000	2.2
138.51741	0.6
139.03862	1.1
147.06439	0.9
149.13069	0.8
151.03915	1.1
151.07570	0.7
153.01807	7.9
161.05975	0.6
163.03966	0.9
165.05542	1.2
177.05402	0.6
201.05473	1.0
217.04959	0.8
228.04167	1.6
229.04926	2.8
245.04489	0.7
246.05161	2.1
247.24167	1.4
257.04413	2.3
260.03195	0.9
273.03876	1.6
274.04694	4.3
283.26236	0.9
285.03812	3.6
286.04605	0.6
301.07028	0.6
301.11841	1.1
302.04141	10.4
314.04016	0.6
317.06528	100.0
318.06824	1.9
329.06506	0.7
359.07578	1.9
383.07315	0.6
427.10120	1.1
463.15732	0.9
485.90491	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1593
Annotation	CHEBI:65664
Peak:m/z	Relative Intensity
55.01852	1.1
64.50463	0.9
65.03925	1.2
67.05486	1.1
67.68981	1.0
70.07388	3.7
71.04965	1.5
79.05475	1.6
80.60583	0.9
81.03408	2.5
81.07037	1.9
83.04951	1.0
83.19981	1.0
85.02888	2.7
91.05468	11.5
93.07029	2.7
94.79978	0.8
95.08618	1.5
97.02853	1.6
97.06520	0.9
100.11195	1.6
105.07008	3.5
107.04890	1.4
107.08549	2.1
109.06490	1.2
109.10144	1.2
115.05431	1.2
119.04928	23.6
119.08549	2.1
121.02847	0.9
121.10091	1.7
121.74629	0.9
123.04415	4.9
129.09094	1.0
131.04913	2.0
131.08492	1.3
133.06490	1.2
133.10152	1.9
135.04361	2.0
135.11662	1.1
137.02328	1.1
137.05952	5.0
139.03899	1.3
147.04390	82.6
148.04707	1.6
149.05942	1.6
149.09579	0.9
151.03867	3.0
151.07501	2.1
161.05949	3.4
165.05466	7.0
165.09102	1.4
167.07040	0.9
173.13403	1.7
175.07545	1.3
177.05443	1.8
179.06963	3.2
189.05426	1.2
191.06955	1.6
203.07001	4.2
205.08609	1.3
217.08838	1.1
229.04901	1.1
245.08067	1.6
258.05191	12.9
286.04688	36.0
301.07031	100.0
302.07306	2.4
307.09128	0.9
311.16483	1.5
321.10922	1.2
325.10602	1.0
463.16119	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	463.3051
Annotation	Verbacine
Peak:m/z	Relative Intensity
50.19857	0.9
53.03939	5.1
55.01854	3.1
55.05256	1.5
55.05507	17.8
57.03432	6.0
57.07062	2.7
58.77247	0.9
62.63379	0.9
65.03928	3.1
67.05498	76.2
69.03423	1.7
69.07063	27.2
69.34612	0.8
70.00578	5.0
71.04980	4.9
77.03928	1.7
79.05486	55.2
81.03407	4.7
81.07050	100.0
82.03651	0.9
83.04974	7.7
83.08614	16.9
84.94852	1.0
85.06522	4.9
90.46252	0.8
91.05472	31.5
93.07035	69.2
94.07328	1.1
95.04963	9.6
95.08595	25.5
97.06520	12.2
97.10172	1.7
99.04459	1.3
99.08076	3.7
105.04500	2.3
105.07014	12.7
107.04970	1.6
107.08587	36.2
109.06522	4.6
109.10138	5.5
111.08055	9.0
111.11752	1.2
113.06006	1.1
117.07008	11.6
119.08560	4.3
121.06488	2.3
121.10130	17.7
123.08027	1.1
123.11712	4.0
125.09581	1.0
129.06984	1.5
131.08566	15.2
133.10115	13.8
135.08034	2.7
135.11674	10.1
139.07523	1.2
139.11183	1.7
143.08615	1.3
145.10114	2.6
147.08156	1.3
147.11668	2.3
149.13246	38.8
151.11224	1.9
157.10152	2.4
159.11662	18.0
165.75121	0.9
169.10175	1.3
177.12744	8.0
183.11655	1.0
185.13304	1.4
195.13785	19.3
213.14818	3.3
251.16379	1.4
252.92787	0.9
322.22482	1.0
343.26202	1.2
348.42020	1.0
353.24615	1.4
371.25702	2.4
389.26880	2.2
419.28149	1.1
430.52603	0.9
445.29953	4.8
447.87994	1.0
463.30499	68.1
464.30774	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.4
54.03612	2.9
55.01861	5.5
55.05503	32.2
57.03428	14.0
65.03934	7.2
67.05499	93.0
67.28937	3.3
69.07067	33.9
71.04993	7.4
71.52494	4.3
77.03907	3.3
78.23857	3.4
79.05485	64.5
81.03407	5.4
81.06591	6.0
81.07050	100.0
83.04967	10.9
83.08613	20.3
85.06527	5.8
91.05476	80.1
93.07031	77.3
95.04957	16.8
95.08595	43.5
97.06522	12.4
97.10184	5.4
103.05394	3.8
105.07021	64.7
107.04941	9.1
107.08582	42.2
109.06506	10.3
109.10145	21.1
111.04452	4.7
111.08052	6.6
112.99970	4.7
117.07008	30.7
119.08566	38.5
121.06477	10.5
121.10128	22.0
123.08099	5.2
123.11745	4.1
128.06194	7.6
129.06995	20.1
131.08536	46.8
132.40625	3.2
133.10123	30.0
135.04387	5.3
135.08063	7.9
135.11650	18.5
137.05986	4.2
143.08592	16.6
145.06563	3.6
145.10100	26.1
147.08061	4.1
147.11633	8.8
149.09644	4.5
149.13235	20.3
151.07538	4.8
151.11311	4.8
155.08533	13.1
157.10078	9.7
158.50803	3.3
159.11685	18.6
161.09555	3.8
163.11269	5.1
165.09126	5.6
167.08600	4.1
168.71196	4.1
169.10088	9.8
171.11647	8.0
173.13235	5.0
177.12711	7.3
181.10068	7.3
183.11685	6.3
185.13268	6.4
187.14798	4.0
191.10715	4.4
195.11917	3.7
195.13866	10.7
197.13303	7.4
199.14899	6.2
209.13200	3.8
225.16376	4.1
236.53145	3.6
247.16992	3.9
259.17233	4.6
325.18033	3.7
325.25217	6.8
335.23499	5.6
343.26248	17.1
351.25336	6.6
353.24722	25.8
361.14429	3.3
371.25705	37.2
389.26855	33.0
390.27621	3.6
433.87149	3.6
445.29492	41.2
463.30707	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.305
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03931	3.4
54.29489	1.2
55.01861	4.2
55.05506	16.8
57.03433	6.3
57.07070	3.0
57.33334	1.2
65.03946	2.6
67.05500	75.9
69.07061	28.4
69.56461	3.0
69.56870	4.7
71.04987	4.9
77.03936	1.7
79.05488	46.9
81.03400	2.5
81.07047	100.0
83.04975	8.1
83.08605	16.6
85.06530	5.9
91.05473	25.7
93.07035	70.8
94.07385	1.3
95.04959	9.9
95.08602	25.6
97.06528	16.1
97.10159	2.2
99.08084	4.0
105.04491	1.8
105.07029	8.0
107.04945	2.4
107.08583	38.2
109.06487	3.0
109.10136	4.3
110.29298	1.0
111.08056	6.9
111.36364	1.0
113.09645	1.6
117.06994	9.5
119.08575	3.6
121.06490	1.6
121.10137	22.5
122.10463	1.4
123.11684	1.9
125.09615	1.4
127.07568	1.1
131.08571	10.8
133.10075	11.0
135.08032	2.0
135.11696	11.4
135.25896	1.2
139.11195	2.8
147.11655	2.3
149.13248	51.0
151.07474	2.7
151.11214	2.0
159.11687	19.4
167.14368	1.9
177.12766	10.4
195.13786	19.2
213.14853	2.3
227.67696	1.1
325.14389	1.3
336.22696	1.2
463.30545	65.7
464.30573	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	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.3
53.03934	4.3
55.01864	4.3
55.05264	1.7
55.05503	17.3
57.03426	6.8
57.07058	3.8
65.03930	2.9
67.05498	79.9
68.05817	1.1
69.07063	26.4
69.40438	2.8
69.40858	5.2
71.04981	4.5
71.08611	0.9
77.03922	1.0
78.61027	1.1
79.05485	49.2
81.03410	3.3
81.07046	100.0
82.07391	0.9
83.04966	7.6
83.08609	18.0
85.06535	7.0
91.05468	27.0
93.07032	65.7
94.07329	1.0
95.04974	7.4
95.08596	23.1
97.06520	12.6
97.10138	2.4
98.21479	1.6
99.08080	2.9
105.04539	2.1
105.07027	10.0
107.04890	0.9
107.08580	36.6
109.06520	2.3
109.10150	3.7
111.08072	10.1
113.09627	1.3
117.06994	10.1
118.87955	1.0
119.08556	3.5
121.06506	2.7
121.10130	21.8
123.08038	1.3
123.11702	3.2
127.07539	1.3
131.08545	10.1
133.10109	11.5
135.08078	2.0
135.11668	11.6
137.05957	1.2
139.11177	3.0
147.11644	2.3
149.13245	47.0
151.07552	3.8
151.11200	1.2
159.11671	20.6
165.09131	2.1
167.14304	1.8
177.09117	1.0
177.12720	10.9
186.48448	0.9
195.13783	19.0
213.14905	2.9
233.15160	1.0
358.16238	1.0
362.48517	1.0
457.58456	1.0
463.30515	67.2
464.31259	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13741	1.6
53.03929	4.6
55.01870	3.4
55.05262	2.0
55.05507	26.7
56.55374	1.2
57.03419	5.6
57.07053	5.7
65.03926	1.9
67.05499	43.3
69.03400	2.0
69.07058	25.1
70.88763	3.6
70.89113	1.4
71.04981	4.5
71.08610	1.7
75.99976	1.5
79.05486	38.8
81.03404	2.7
81.07046	44.9
83.04965	4.7
83.08610	17.1
85.06539	3.3
87.06192	1.6
91.05470	47.4
93.06464	3.0
93.07029	40.4
95.01285	1.4
95.04952	8.8
95.08045	2.6
95.08592	29.5
97.06522	6.3
97.10149	5.6
99.00837	8.2
99.04481	1.9
103.05434	2.1
105.07024	42.2
107.04932	4.9
107.08582	23.4
109.06499	5.2
109.10147	9.9
111.08047	2.6
113.02380	1.6
115.05437	4.6
117.01896	1.9
117.07005	20.7
119.08572	29.2
121.06491	6.1
121.10130	14.0
123.08065	3.8
123.11655	2.8
125.05952	2.5
128.06273	2.4
129.07004	16.1
130.07796	2.0
131.08556	38.6
133.06490	3.5
133.10130	16.9
135.04425	2.9
135.08032	4.9
135.11679	6.2
137.05905	1.9
137.09654	1.8
141.07011	5.4
142.06218	1.4
142.07730	1.5
143.08524	13.0
145.06473	2.9
145.10097	23.8
147.08000	3.4
147.11658	5.3
149.09560	5.0
149.13222	5.7
151.07507	6.6
151.11234	2.1
155.08543	7.6
157.10121	9.8
159.11679	12.6
161.09581	3.0
161.13324	1.8
163.07549	2.8
165.09230	2.6
167.08504	2.7
167.54422	1.7
169.10143	5.8
171.08121	1.4
171.11682	9.4
173.13251	3.9
175.11214	2.0
177.05487	2.1
177.09087	2.5
177.12671	2.5
181.04926	12.5
181.10106	5.5
183.06435	1.9
183.11732	4.4
185.09615	2.0
185.13223	4.0
187.11176	1.9
187.14813	3.7
189.09180	1.9
191.06934	2.3
191.10660	2.4
195.06523	27.7
195.11665	5.6
195.13554	2.7
197.13287	4.9
198.29355	1.5
199.14856	4.2
205.12125	2.0
209.08047	18.6
209.13298	3.6
211.14673	2.8
217.16064	1.8
220.61055	1.3
221.15259	1.6
223.09636	20.5
223.14746	1.8
225.16362	1.9
227.14262	1.7
227.17905	1.8
231.13693	2.4
233.15295	3.3
237.11240	12.3
247.16913	3.7
249.11246	3.1
251.12698	9.0
259.16885	2.5
265.14288	4.5
273.18436	2.1
279.15802	2.4
293.17358	1.9
307.19040	3.5
325.25287	3.7
335.23596	6.5
343.26242	9.8
353.24765	22.9
371.25787	29.8
389.26871	30.0
427.28186	1.9
436.04935	1.5
445.28873	33.6
463.34677	100.0
464.34006	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98314	1.5
53.03927	6.3
55.01853	4.1
55.05505	24.9
57.03417	9.6
57.07070	2.8
65.03928	5.0
65.66300	1.6
67.05497	85.6
69.03433	2.0
69.06719	2.4
69.07059	29.7
71.04977	6.7
79.05480	65.0
79.17786	1.6
81.03378	2.4
81.07043	100.0
83.04968	7.7
83.08607	19.1
85.02858	2.1
85.06523	5.4
91.05469	59.8
93.07030	75.3
95.04942	13.2
95.08598	35.5
97.06512	13.1
97.10153	4.0
99.08064	3.3
103.05480	4.3
105.04517	2.9
105.06295	2.3
105.07014	47.1
107.04942	7.8
107.08579	40.7
109.06506	7.2
109.10132	10.5
111.08058	6.9
115.05386	3.1
117.06998	27.2
119.08574	31.6
121.06529	8.2
121.10124	26.4
123.08080	2.6
123.11683	2.0
125.09619	2.0
129.06990	12.1
130.07738	3.1
131.08545	38.8
133.06462	3.6
133.10112	22.3
133.45844	1.5
135.08043	4.4
135.11659	11.1
137.05916	1.9
137.09622	1.9
139.11162	1.5
141.06943	4.5
142.07800	1.8
143.08539	12.2
145.06444	3.8
145.10104	22.5
147.08023	4.1
147.11665	6.3
149.09537	1.7
149.13240	31.2
151.07544	6.7
151.11147	2.3
155.08513	7.1
157.10115	10.0
159.11681	16.9
161.09627	2.3
161.13239	3.2
165.09076	3.3
167.08540	2.2
169.10127	6.9
171.11708	7.2
173.09612	2.0
173.13213	5.7
177.12720	6.9
183.11687	4.0
185.13268	4.8
187.14766	3.5
195.11877	3.2
195.13792	13.7
197.13219	5.5
199.14786	3.7
209.13232	2.7
211.14868	4.0
215.14232	1.9
221.15613	1.7
223.14839	2.4
229.60127	1.7
231.08954	1.7
233.15466	2.3
241.15829	2.6
247.16957	3.5
255.17383	2.0
259.16885	2.3
261.18448	2.7
273.18570	2.7
285.88028	1.7
287.19922	2.2
313.87729	1.8
317.39099	1.8
325.25299	4.6
335.23749	4.6
343.26398	8.2
353.24667	20.7
371.25778	24.9
389.26761	25.4
427.28256	2.4
445.29321	37.7
463.17233	2.4
463.30469	59.6
464.30710	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	463.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06707	2.2
54.45511	2.6
55.01856	4.6
55.05507	14.4
57.03420	5.3
57.07068	5.5
62.15856	2.2
65.03919	2.8
67.05493	17.9
69.03425	16.2
69.07060	20.5
69.58715	4.5
69.59116	16.8
71.04968	5.5
73.02899	9.6
79.05497	15.8
81.03405	5.6
81.07047	42.3
83.08593	10.1
85.02901	24.1
85.06532	16.0
91.05466	31.7
93.07046	35.8
95.04955	7.9
95.08595	47.0
97.02879	10.4
97.10141	9.5
99.04420	2.8
99.08073	3.6
100.11216	2.7
105.07003	15.8
107.04948	4.0
107.08588	57.6
109.02872	6.2
109.06490	5.4
109.10153	32.5
111.04469	4.2
111.11734	3.7
115.03915	5.3
115.05468	2.4
117.07035	4.2
119.04919	10.2
119.08578	17.5
120.21357	2.5
121.06473	2.9
121.10149	14.3
123.04414	18.9
123.11684	16.4
125.05980	2.9
127.03907	7.0
127.11182	2.7
129.06978	2.8
131.08528	5.0
133.04961	5.1
133.06500	3.5
133.10112	25.3
134.10440	4.3
135.04382	6.4
135.07974	2.3
135.11682	100.0
136.12029	2.5
137.05995	13.2
137.13225	9.3
139.03893	5.3
143.08498	3.1
145.04854	6.4
145.06424	2.5
145.10124	4.2
147.04420	28.4
147.08017	19.6
147.11679	8.8
149.05923	2.6
149.09624	3.5
149.13269	11.1
151.03870	8.2
151.07451	6.2
151.14847	6.5
153.05460	5.9
157.10216	2.3
158.10854	3.0
159.11685	4.4
161.05923	4.9
163.03899	6.0
163.06117	2.7
163.07475	2.9
163.14824	5.0
165.05492	25.5
165.09064	4.6
165.16328	3.8
166.05750	2.7
167.07028	4.5
173.13274	6.2
175.07515	2.3
175.14882	2.8
177.05440	10.0
177.16367	6.6
179.07036	3.3
189.05426	11.6
191.06941	4.7
191.17856	3.9
203.06953	5.0
217.08571	5.3
243.10152	2.4
247.24266	21.4
255.10280	2.9
263.34167	2.6
265.25192	7.9
283.26239	22.7
295.10373	3.1
301.27234	4.8
311.16373	17.3
312.17014	3.0
313.18137	2.9
317.06778	3.2
317.10162	6.6
341.10065	6.4
344.53662	2.7
369.13419	3.1
431.15170	2.4
437.66171	2.7
457.51651	2.5
463.20847	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	463.326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	12.1
57.03422	5.9
57.07051	7.0
67.05497	28.3
69.03438	9.1
69.07062	20.2
69.13087	4.3
70.32497	8.1
70.32916	13.6
71.04990	35.2
73.02897	3.9
79.05477	10.8
81.03378	7.0
81.07047	72.4
81.76384	4.2
83.08600	10.9
85.02902	42.6
85.06551	7.7
91.05460	14.9
93.07042	30.6
95.08606	64.6
97.02881	6.6
97.10152	11.0
105.06990	7.4
107.08594	30.2
109.02872	6.9
109.06535	4.1
109.10143	34.9
111.11716	5.0
119.04948	6.9
119.08569	5.9
121.02866	5.6
121.06480	4.2
121.10111	18.4
123.04409	21.2
123.11658	19.8
124.03949	7.3
133.10123	20.5
134.10446	9.7
135.11685	34.1
137.05919	7.6
137.13226	9.8
139.03876	6.3
146.58832	4.0
147.04364	17.7
149.13228	9.0
151.14864	4.5
153.01794	9.0
153.05461	6.1
163.03874	6.9
165.05461	17.7
165.16295	5.8
177.05438	9.2
179.01350	4.8
189.05415	6.6
191.06970	6.5
205.08609	4.8
247.24174	16.9
253.22943	4.3
257.15802	4.3
265.25342	15.1
283.26224	19.4
285.03815	4.8
301.06946	16.6
301.27435	7.6
302.04111	10.9
311.16241	8.1
317.06558	100.0
317.09933	7.3
318.06882	13.9
463.21265	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	463.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.7
53.03950	2.1
55.01875	1.3
55.05508	14.7
57.03437	2.6
57.07076	3.1
59.13802	0.6
65.03943	1.9
67.05504	21.2
68.05841	0.6
69.03426	1.0
69.07064	18.1
69.07416	1.2
70.87281	1.3
70.87628	0.9
70.98387	0.6
71.04987	1.7
71.08628	0.8
73.47215	0.6
77.03901	0.6
79.05495	15.0
80.13103	0.6
81.03433	1.4
81.07053	21.7
83.01369	0.7
83.04995	2.8
83.08619	8.0
85.06541	1.4
90.07878	0.6
91.05478	19.4
92.05803	0.6
93.07037	17.5
95.01336	1.4
95.04952	2.8
95.08598	12.2
95.09164	0.8
97.06528	3.5
97.10194	2.6
99.00804	8.6
99.04485	2.5
103.05468	0.9
105.04519	1.2
105.07022	16.9
107.04951	2.9
107.08588	10.2
109.06544	2.3
109.10128	3.7
111.08103	1.5
113.02383	1.2
116.06268	1.0
117.01864	1.3
117.07018	9.2
117.07757	0.9
119.05002	1.1
119.08562	8.7
121.06522	2.8
121.10155	5.9
123.04404	1.2
123.08086	1.8
123.11735	1.1
125.06002	0.7
125.09583	0.9
128.06270	1.6
129.07004	5.3
130.07799	0.8
131.04980	0.6
131.08559	14.7
131.92067	0.7
133.06517	1.3
133.10110	7.4
135.04401	1.9
135.08098	2.3
135.11671	3.8
137.06006	2.6
137.09627	0.9
141.07048	2.4
143.08574	4.9
145.05374	0.6
145.06468	1.5
145.10097	6.6
147.08052	1.6
147.11708	2.6
149.06024	2.2
149.09671	1.8
149.13234	5.0
151.07530	5.1
153.05531	2.6
155.07260	0.7
155.08463	2.9
157.10152	4.1
159.08109	1.0
159.11691	4.8
161.09760	1.3
161.13249	1.7
163.07622	2.5
163.11168	1.1
165.09164	2.2
167.08569	1.4
169.10184	1.7
171.11664	3.0
173.09682	1.2
173.13293	2.0
175.07582	0.7
175.11197	0.8
177.05516	0.8
177.09158	2.0
177.12820	1.3
181.04958	13.2
181.10213	1.9
183.06596	2.0
183.11790	1.7
185.13290	1.5
189.09137	1.1
191.07086	1.5
191.10718	1.2
191.14352	0.7
195.06532	29.6
195.11815	1.2
195.13794	1.4
197.13339	1.8
199.14896	1.2
201.12801	0.9
203.10776	1.2
205.08606	0.8
209.08076	16.9
209.09898	1.0
209.13429	0.8
211.14914	1.4
213.12730	0.9
215.14450	1.4
219.13855	0.9
223.09644	16.4
223.11610	0.9
231.13928	1.2
235.09908	0.7
237.11180	11.6
249.11389	1.6
251.12781	9.5
259.16968	1.3
263.12799	1.0
265.14346	3.4
273.18405	0.8
277.14487	0.7
279.16064	2.0
285.11429	1.1
287.12747	0.6
293.17639	1.3
307.19086	1.5
319.19217	0.8
321.20816	1.0
325.25400	1.8
335.23651	2.4
343.26184	4.0
353.24710	6.6
371.25732	8.9
389.26935	8.5
427.22723	0.7
427.28494	1.2
445.29410	7.1
445.33768	7.0
446.29889	1.2
463.34439	100.0
464.35016	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3778
Annotation	CHEBI:70526
Peak:m/z	Relative Intensity
55.01848	23.1
57.07071	34.0
57.45079	14.0
65.71727	14.5
66.28532	17.6
67.05499	56.5
69.07069	90.4
69.52894	33.5
69.53308	100.0
71.08631	29.6
78.79286	17.5
79.05500	22.0
81.07039	80.4
83.08614	49.3
85.10162	33.6
91.05450	14.4
93.07034	69.4
95.08590	87.8
97.10151	34.6
105.07014	49.5
107.08592	63.3
109.10120	49.0
119.08585	35.0
121.10154	46.1
123.11666	26.8
131.08586	21.4
133.10146	46.5
135.11656	30.8
145.10107	32.0
147.11646	40.3
149.13240	27.6
159.11653	24.2
159.70842	20.2
161.13255	36.9
163.14807	19.8
167.30891	15.1
191.10722	27.7
194.90446	14.6
203.18071	17.9
249.08217	14.3
272.97791	16.2
295.85291	21.2
403.35516	19.5
427.35611	37.0
445.36658	88.1
461.61078	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32714	0.5
53.03928	0.8
54.51346	0.6
55.01853	1.1
57.03423	3.0
60.04527	0.5
61.02900	1.6
66.89734	0.5
68.75775	0.6
69.03426	3.0
70.81554	1.7
76.02209	0.8
78.30222	0.5
79.05509	1.3
81.03405	1.8
85.02897	9.3
91.05452	1.1
93.07014	2.5
95.04941	0.9
97.02863	2.9
98.44350	0.6
100.02213	0.8
103.05444	7.7
105.07019	7.0
107.04945	42.4
108.74074	0.6
109.02870	1.0
121.06490	11.7
122.02713	4.4
123.04405	0.9
124.05200	1.0
127.03884	1.5
131.04918	5.2
133.06496	4.3
135.08040	6.8
137.05939	6.3
145.04953	1.7
148.04115	0.9
148.05165	5.6
149.05966	8.4
163.02103	0.8
163.07530	17.2
165.09103	16.8
181.08577	100.0
182.08971	1.1
188.03938	0.6
284.07611	3.2
289.22412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
53.08596	0.6
55.01862	1.6
57.03431	4.4
60.56715	0.6
61.02920	9.0
69.03421	15.2
70.57874	1.5
71.04985	3.0
73.02901	4.6
81.03403	6.9
83.01340	0.7
84.27685	0.5
85.02895	100.0
85.33350	0.5
86.03207	0.9
87.04472	2.5
89.05999	1.4
91.03936	5.4
93.07067	0.7
95.04963	0.6
97.02882	27.1
99.04430	4.3
103.03926	0.7
105.07021	6.9
109.02855	9.0
115.03976	0.9
119.08563	0.7
123.04439	0.5
124.07597	1.4
127.03903	29.2
134.35028	0.5
135.04399	3.5
137.02316	0.6
145.04944	50.7
145.48708	0.6
147.08043	1.3
151.07448	0.6
153.01839	0.9
159.08089	0.7
163.06004	24.7
163.07388	1.4
172.08656	1.0
178.08748	0.7
189.09097	0.8
201.05722	0.6
216.07750	0.9
218.80234	0.8
229.09578	0.8
231.10107	1.1
243.08765	7.7
244.09537	3.4
249.11340	1.0
285.13315	3.1
293.52994	0.6
302.12561	1.2
303.04950	15.5
310.12961	0.8
315.13330	2.0
316.14230	1.6
325.11359	0.8
335.24908	0.6
378.15369	5.9
379.16324	1.3
387.95865	0.6
429.16306	0.8
447.17819	1.7
464.15219	3.5
465.19022	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	464.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
53.09209	1.1
55.01862	4.1
55.05501	4.8
57.03424	7.7
61.02917	4.7
65.03943	2.1
65.16919	1.2
67.05487	2.3
69.03419	12.0
69.07049	3.8
70.00591	5.1
71.01337	1.7
73.02909	33.7
79.05485	15.7
81.03407	2.8
81.07041	4.3
85.02892	23.0
87.04459	1.2
88.30057	1.2
91.05466	24.0
93.07034	88.6
95.04952	7.2
97.02882	19.7
98.03219	1.2
99.04414	1.7
105.04531	2.2
105.07027	8.6
107.08582	100.0
108.08882	2.4
109.02872	1.5
109.06510	3.4
115.03900	10.1
119.06057	1.4
119.08622	1.5
121.10165	2.0
127.03877	7.6
133.04941	9.0
133.10081	1.1
135.11674	58.4
136.12007	1.3
145.04916	9.9
150.07593	2.9
163.06012	3.2
223.06056	2.2
241.07053	2.0
259.08044	1.2
303.04831	1.3
312.17548	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.7
53.03939	3.9
53.68305	0.5
55.05505	6.3
57.03431	12.1
57.07060	0.7
58.27925	0.6
59.04989	0.6
60.04512	0.9
61.02911	3.6
65.03935	1.7
67.05497	2.3
69.03421	17.7
69.07065	3.8
69.20850	6.9
71.01335	1.2
73.02909	19.6
74.44064	0.5
77.03907	1.0
79.05482	16.1
81.03406	2.4
81.07043	4.1
83.04975	1.0
83.75018	0.6
85.02894	18.3
87.04454	7.0
91.05472	25.1
93.07033	88.9
94.07323	0.7
94.07848	0.9
95.04955	8.0
95.08607	2.8
97.02885	19.6
98.21526	1.3
98.74471	0.6
99.04442	1.2
105.04528	1.4
105.07021	8.1
107.08581	100.0
108.08904	0.8
109.02866	1.3
109.06503	3.8
109.10138	1.0
115.03918	19.7
119.06036	1.3
119.08546	2.1
121.10098	2.9
123.04370	0.9
127.03922	4.5
131.08630	1.1
133.04955	14.0
133.10089	2.0
135.11674	58.1
136.11993	0.8
145.04953	4.0
145.10023	0.6
147.11609	0.8
150.07625	5.2
159.11615	1.0
163.06032	0.9
163.12157	0.6
165.05437	0.9
177.12769	0.7
184.07373	2.7
208.64481	0.6
223.06018	0.8
241.07085	1.4
259.08145	1.3
295.10440	0.7
303.04913	3.0
307.43027	0.6
388.25067	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.6
53.03941	6.0
55.01855	3.6
55.05500	8.4
57.03436	10.9
57.07055	1.5
61.02916	5.9
65.03926	2.3
67.05492	2.9
69.03426	15.4
69.07056	4.8
71.01330	1.9
71.04987	2.0
71.44791	1.7
73.02912	38.5
79.05489	26.9
81.03400	3.7
81.07058	7.0
83.04978	1.6
85.02895	33.9
87.04467	2.2
91.05477	26.9
92.40762	1.3
93.07035	100.0
95.04977	7.1
95.08610	4.1
97.02880	21.9
99.04442	2.4
103.03957	1.6
105.07035	11.9
107.08587	94.2
109.02863	2.0
109.06500	3.3
109.10158	2.1
111.04481	1.4
115.03913	14.8
117.07040	1.4
119.04961	1.4
119.06020	1.7
119.08591	4.3
121.10136	3.2
123.04436	3.2
127.03917	8.6
131.08562	1.8
133.04962	14.8
133.10158	2.8
135.11681	84.1
145.04947	13.2
147.04387	3.4
147.11638	1.9
150.07658	3.5
151.03923	1.7
153.12735	2.4
163.06000	5.0
165.05507	1.7
165.12794	1.4
216.07753	1.6
217.08365	1.6
223.06039	1.8
231.13803	1.5
239.46483	1.2
241.07014	2.8
247.00323	1.5
259.08139	2.0
267.15701	1.6
303.04999	5.5
327.93826	1.8
341.10519	1.4
421.14682	6.2
465.13779	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	464.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20817	1.5
53.03937	5.3
55.01859	5.3
55.05514	8.4
57.03431	11.1
59.04988	2.0
61.02913	5.9
65.03928	2.7
67.05486	3.7
69.03421	15.7
69.07061	4.0
71.44164	2.6
73.02905	40.4
77.03900	1.9
79.05482	23.8
81.03427	3.2
81.07051	5.7
85.02899	30.9
86.28262	1.4
87.04456	2.5
91.05473	24.6
93.07037	100.0
95.04960	7.4
95.08592	5.1
97.02882	21.7
99.04462	1.8
105.07008	9.8
105.16463	1.7
107.08582	89.8
109.02868	4.3
109.06506	3.2
109.10133	2.0
115.03920	15.7
119.08595	3.5
121.10101	2.7
123.04432	4.1
127.03906	10.4
133.04948	12.7
133.10149	2.7
133.69698	1.6
135.11679	93.3
145.04938	11.3
145.10059	1.9
147.04366	2.3
150.07579	4.2
151.07631	1.6
153.12717	4.5
163.06055	4.8
165.05482	2.8
175.03638	1.8
177.05421	2.0
216.07674	1.8
223.06018	1.9
241.07068	3.1
242.74121	1.6
249.14915	1.5
259.08112	1.6
267.15753	1.6
267.69284	1.4
303.05005	4.4
370.97388	1.8
421.14557	3.0
465.13654	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	464.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94374	6.8
51.85148	7.2
55.01890	11.7
55.05499	25.2
56.05019	25.6
57.03429	12.4
58.06585	16.8
60.04527	58.9
61.02914	19.0
67.05482	25.4
69.03429	53.5
69.07046	14.0
69.66013	7.2
70.06593	12.9
71.04971	25.6
71.52870	11.4
72.04501	9.2
73.02895	11.2
74.06078	20.0
79.05471	17.2
81.03407	22.8
81.07042	31.2
82.06554	17.0
83.04987	37.7
83.08591	14.7
84.04471	12.3
85.02905	86.3
85.06516	12.3
86.06036	28.3
91.05482	22.9
93.07025	25.6
94.06571	10.4
95.04985	36.7
95.08603	19.7
97.02881	47.4
97.06519	18.2
98.06040	22.2
99.04431	27.0
102.04893	8.6
102.05560	12.0
104.07103	10.8
105.07018	31.2
107.04940	16.4
107.08571	44.8
108.08924	7.1
109.02885	13.3
109.06516	29.4
109.10144	62.2
110.06046	16.0
111.04434	12.4
112.07579	12.4
113.05981	11.6
119.08553	31.4
121.06484	7.8
121.10119	42.1
122.09631	13.1
122.84810	8.1
123.04414	51.5
123.08078	36.9
124.03947	8.5
124.07564	7.9
125.06017	12.2
125.09608	15.4
127.03886	20.0
128.07034	11.2
130.08684	7.5
131.08574	13.7
133.06421	8.5
133.10123	31.2
135.08104	11.2
135.11699	13.4
137.05981	20.2
137.09618	15.4
139.03853	13.9
139.07487	10.5
140.07030	11.2
145.04964	12.5
145.10149	12.3
147.04398	13.4
147.08113	14.6
147.11687	20.7
148.11206	9.9
149.06001	8.7
149.09627	23.4
151.03896	8.2
151.07547	12.0
151.11192	36.9
152.11533	16.3
156.09344	8.8
157.10091	7.7
159.11652	11.7
161.05963	9.5
161.13222	16.2
163.07625	7.2
163.11150	18.7
165.09125	7.7
165.12727	8.7
171.11674	16.6
175.11201	9.6
178.08618	17.8
181.08592	10.7
186.07727	8.0
188.14391	9.8
189.12726	25.6
191.19687	7.7
204.08595	12.5
206.10251	9.8
206.15421	22.7
207.13774	21.0
208.13445	7.5
209.15311	9.4
220.08147	25.2
248.16463	37.8
249.14545	13.0
249.16805	22.8
249.93372	8.0
261.10165	14.3
266.17435	86.5
268.19110	21.2
284.18427	46.7
285.11133	7.9
286.19974	14.2
302.19482	67.5
303.04956	38.4
363.86981	8.0
446.23907	42.8
464.18796	17.5
464.24991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.3
52.78231	0.7
53.03930	2.4
55.01856	2.7
55.05505	8.3
57.03430	5.2
57.07061	1.8
59.04971	1.0
61.02920	4.2
61.70369	0.8
65.03933	2.2
67.05494	4.2
69.03422	12.2
69.07063	3.9
70.05435	3.5
71.01361	1.0
71.04964	2.4
72.50455	0.9
73.02912	19.2
74.42022	0.8
74.72473	0.8
77.62206	0.7
79.05490	9.1
81.03416	4.3
81.07039	6.6
82.06567	1.9
82.07375	1.5
83.04961	2.2
83.08604	4.2
84.08099	0.9
85.02895	25.9
85.06535	2.0
87.04455	1.9
91.03938	1.8
91.05472	27.3
93.07034	48.1
95.04990	3.9
95.08578	8.2
96.04460	1.6
97.02881	16.5
97.06517	1.3
97.10179	0.9
99.04441	1.4
100.07597	1.0
100.11258	7.5
105.04472	1.5
105.07022	8.3
106.20663	0.8
107.04938	1.7
107.08581	64.9
108.08900	2.1
109.02859	3.8
109.06503	4.2
109.10149	3.6
110.06002	2.3
110.09677	0.8
110.25913	0.7
111.03721	0.8
111.04413	4.2
111.08107	1.1
115.03914	7.5
115.05426	0.9
117.03384	1.0
117.06995	1.5
119.04111	1.6
119.04933	27.9
119.08550	4.4
121.06522	4.1
121.07246	0.9
121.10141	6.5
123.04430	7.5
123.08058	0.8
123.11699	1.5
125.09595	1.0
126.09142	2.3
127.03893	8.7
128.07048	0.9
129.06995	1.1
131.08562	1.9
133.04956	10.3
133.06476	1.4
133.10104	3.9
135.04427	1.2
135.11676	69.8
136.11948	1.0
137.02328	1.7
137.05956	10.9
137.09567	1.3
137.13194	0.8
138.09146	6.9
138.64755	0.7
139.11165	1.1
143.08463	1.4
145.02837	1.0
145.04964	8.4
145.10098	1.5
147.04396	100.0
147.11703	2.0
148.04741	2.2
149.05934	1.4
149.09612	4.0
149.13234	1.2
150.07571	0.9
151.03845	2.1
151.07465	0.8
152.14311	1.2
153.01808	1.0
153.05446	0.9
153.12709	1.9
156.10185	27.1
156.11478	1.4
157.10271	0.9
159.11565	1.0
161.06000	1.3
163.03896	1.2
163.06000	4.6
163.07263	0.9
163.98029	0.7
165.05443	5.9
167.10654	5.5
175.07475	1.0
177.05467	6.3
182.15324	3.7
191.06993	1.1
209.16493	1.4
210.14888	2.9
221.07999	0.8
223.05930	2.1
226.25229	0.8
229.04790	1.3
241.06987	1.9
259.08142	2.2
267.15561	1.2
277.09070	1.6
284.26633	1.8
295.10193	2.0
299.09079	1.8
303.04965	23.5
309.09344	0.9
312.16733	1.0
314.11560	1.4
317.10168	1.2
318.15488	5.8
342.23990	1.1
358.19821	1.3
400.80234	2.2
401.30148	0.8
455.32495	3.0
455.82767	1.6
464.19427	1.2
464.32974	25.3
464.83188	13.4
471.85034	0.8
474.33835	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.2
55.05496	17.3
57.03421	7.7
67.05508	47.3
68.05821	8.7
69.07044	22.2
79.05482	43.0
81.07052	67.2
82.07390	10.8
83.04947	17.0
83.08636	10.4
83.24223	7.1
85.02885	12.3
85.06554	10.5
91.05477	35.3
93.07030	56.1
94.07349	14.5
95.01284	8.2
95.04974	12.3
95.08578	31.5
97.06509	9.8
98.21542	15.3
105.07011	38.1
107.08604	38.7
110.03637	15.2
119.08560	17.4
121.06509	12.4
121.10149	30.4
125.05968	34.9
125.09652	7.9
129.07019	9.3
131.08536	10.3
132.08865	8.8
133.10120	28.8
135.11653	15.8
138.06790	11.8
139.07455	9.2
145.10094	21.0
146.07230	14.5
147.04384	12.4
149.13245	21.5
151.07477	15.1
153.01762	13.4
153.05453	92.7
159.11670	23.9
160.12091	11.0
162.06927	10.1
163.07574	17.4
165.09123	28.9
173.13309	11.3
175.03941	17.6
177.09143	20.2
180.04208	9.1
192.57355	9.0
193.08574	13.9
195.10187	12.6
219.06480	60.6
219.17596	10.6
229.18459	10.4
303.04941	100.0
346.35632	9.1
464.30615	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1021
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
61.02919	7.4
68.99770	0.8
69.03410	1.1
69.81406	2.9
73.02892	1.9
74.89466	0.4
81.03406	1.4
85.02898	6.0
91.03940	2.9
97.02892	3.1
109.02868	0.7
111.00781	1.0
121.02850	1.3
123.04326	0.5
127.03854	0.7
133.12552	0.5
137.02307	4.5
153.01807	4.8
160.68987	0.4
161.06033	0.7
163.03885	0.6
165.01883	2.3
183.02884	0.8
183.04401	0.6
184.23470	0.5
187.03854	0.6
195.02902	0.4
201.05475	2.6
229.04936	4.6
247.06126	0.8
257.04428	2.0
274.04861	0.6
285.03912	1.2
291.50372	0.5
303.04956	100.0
304.05255	2.3
440.59293	0.5
442.45917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1023
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03929	0.6
55.01844	0.4
57.03417	0.7
61.02912	1.8
68.99771	0.5
69.03421	3.1
70.02320	2.4
71.04981	0.5
72.08336	0.4
73.02919	0.6
81.03397	1.8
85.02901	10.9
89.04748	0.4
91.03923	0.5
97.02882	3.1
98.21492	0.5
99.04456	0.4
99.28534	0.4
109.02861	1.1
117.42789	0.4
121.02876	1.0
123.04372	0.5
127.03931	2.1
137.02350	3.3
145.04958	1.2
145.06363	0.4
153.01823	5.1
155.04872	0.7
163.03899	0.6
165.01823	2.3
173.05975	0.6
183.02907	1.0
201.05463	2.0
229.04938	5.0
247.05972	0.9
257.04480	2.5
274.04639	0.5
280.19724	0.5
285.03931	1.6
303.04965	100.0
304.05283	4.5
374.16696	0.5
411.17764	0.4
476.87210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03935	0.6
55.01864	0.5
55.28120	0.3
57.03421	0.9
61.02910	1.3
62.61438	0.4
68.99769	0.7
69.03419	2.9
69.62714	1.0
69.63148	1.2
71.04978	0.7
79.69355	0.3
81.03413	1.7
85.02899	9.5
86.03677	0.3
87.04445	0.6
88.54594	0.3
91.03941	0.5
97.02882	3.3
98.20849	0.7
104.91913	0.4
109.02865	1.6
111.00794	1.0
121.02842	1.2
123.04478	0.4
127.03922	2.0
135.04448	0.3
137.02315	3.5
140.72771	0.3
145.04941	1.7
149.02316	0.7
153.01807	4.9
161.05907	0.4
163.03891	1.0
165.01826	2.1
183.02887	1.0
187.03841	0.6
195.02876	0.3
201.05444	2.2
205.04953	0.4
208.96260	0.4
229.04910	5.2
247.06053	0.5
257.04407	3.1
263.88425	0.4
274.04642	0.7
285.04025	1.5
303.04965	100.0
304.05380	2.0
315.13815	0.4
345.05832	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03111	1.2
51.77229	1.2
57.03411	1.4
58.85044	1.1
61.02907	1.3
67.05489	1.5
69.03411	4.4
69.07031	1.2
69.68372	3.0
69.68802	5.3
71.04966	1.8
79.05485	1.5
81.03378	1.8
81.07041	1.9
83.67988	1.1
85.02889	4.1
91.05498	1.4
92.24339	1.2
93.07056	1.3
94.06548	2.0
95.04954	2.0
95.08599	1.5
96.64344	1.1
97.02885	3.4
106.06496	1.7
107.04958	1.8
108.08148	1.3
118.06484	1.2
118.96060	1.4
120.08083	3.5
121.02834	1.2
122.06006	1.8
123.04417	3.9
124.07562	1.4
132.08125	1.8
134.06003	8.1
135.04437	8.4
136.04706	5.8
136.07581	1.9
137.05991	2.3
137.09596	3.0
139.03868	1.9
139.44890	1.5
140.07056	3.1
144.08086	1.2
146.06013	2.8
147.06865	1.3
148.07547	5.9
149.05942	1.2
151.03880	1.4
152.07034	6.4
160.07533	2.6
162.05496	4.5
164.07040	2.0
168.06415	1.2
174.07846	3.0
175.08656	1.3
176.07007	2.0
178.04912	1.2
178.08636	3.9
181.08598	1.2
186.09210	2.1
187.08661	1.9
188.07202	1.3
190.08641	1.4
194.08168	4.6
198.09132	2.6
199.08623	3.0
200.09315	1.9
201.10234	5.8
202.08665	1.4
202.10774	1.6
213.10246	4.7
214.08673	3.1
214.10973	3.7
214.67961	1.1
215.11732	7.5
216.12314	1.8
225.10135	2.2
226.10727	2.0
227.08109	3.6
227.11729	6.1
228.12427	1.5
229.09746	4.5
229.13371	2.7
239.11760	2.8
241.09683	4.4
242.08243	1.7
242.10504	3.2
243.08963	2.1
243.11308	5.3
251.11743	1.4
253.13297	1.8
255.11290	12.2
256.12109	2.3
257.12903	4.3
259.10648	1.7
267.11337	1.4
269.12888	6.9
271.14310	1.6
273.12302	5.1
274.13031	2.4
275.13712	2.0
281.12790	2.9
283.10843	2.9
284.11578	1.4
285.12387	2.1
287.13846	7.5
288.14813	1.3
297.12335	8.3
298.13120	2.5
299.13846	17.0
300.14328	1.6
301.11835	3.1
302.12625	4.0
303.04974	12.0
303.13242	8.0
309.12518	1.9
314.10120	2.1
315.13367	31.8
315.17117	1.7
316.14105	25.0
317.14771	5.4
325.11658	1.6
327.13220	1.7
329.14908	2.2
333.83994	1.3
337.15591	1.6
339.13321	1.9
343.12833	5.2
345.14502	2.5
351.13211	2.1
355.16507	2.8
357.14420	2.9
373.13742	1.6
374.14471	2.3
375.15390	11.8
383.16165	3.7
387.15582	3.7
393.14319	2.3
399.15533	13.0
401.16974	3.4
411.15445	11.1
419.18179	3.4
429.10675	2.5
429.16541	50.0
430.16849	1.8
447.17606	81.1
448.17740	3.2
465.18658	100.0
466.19110	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	465.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.05513	2.8
57.03433	11.1
60.06820	1.5
61.02916	3.5
67.05482	2.9
69.03415	5.3
69.07050	3.5
70.03454	1.6
71.04986	60.3
71.52611	2.6
73.02913	3.7
75.04441	1.9
81.03422	3.8
81.07037	4.1
83.04975	5.0
83.08597	2.4
85.02899	100.0
97.02897	11.0
99.04465	2.0
101.06053	2.0
107.04934	3.3
108.08136	3.1
109.02872	6.4
109.06522	1.5
109.82034	1.7
111.04450	2.4
121.06531	1.6
122.06009	2.9
123.04422	3.7
125.32513	1.6
125.49815	1.6
126.05438	2.0
127.03905	11.2
129.05461	26.8
131.26918	1.6
136.07571	2.9
137.02258	1.9
137.06010	3.2
139.03918	2.1
140.07053	33.4
145.04944	18.4
147.04416	2.6
147.06505	10.1
151.03917	8.0
152.07091	5.0
153.01772	2.1
153.05524	1.6
153.12749	5.5
154.08607	3.3
163.06020	9.8
164.07080	4.9
164.09201	6.5
178.08653	5.7
182.08113	39.4
188.03685	3.1
206.08090	21.1
206.09567	1.7
218.08081	2.0
229.04918	2.3
236.09105	4.5
248.09178	7.3
257.04169	2.2
266.10242	2.6
284.11163	4.7
302.12366	9.6
303.04974	34.0
303.13351	2.7
304.05219	1.8
433.25708	1.7
447.17584	4.7
465.18762	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	465.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.5
53.21840	2.6
55.01856	5.2
55.05489	7.9
55.52375	2.7
57.03426	7.0
61.02918	7.2
65.03928	3.4
67.05505	19.2
69.03430	26.5
69.07036	9.1
69.47189	6.8
69.47601	15.3
71.04987	5.2
73.02899	6.5
75.04467	4.7
79.05493	24.1
81.03417	28.2
81.07049	30.8
85.02898	28.1
91.05475	47.9
93.07036	100.0
94.07383	3.4
95.04950	21.5
95.08607	36.5
97.02882	14.4
97.06540	3.9
97.10140	7.8
98.21614	2.7
99.04433	5.0
102.04834	3.0
103.05445	8.2
105.07015	21.6
107.01549	2.4
107.04937	3.7
107.08596	29.2
108.08965	3.1
109.02846	16.2
109.06519	13.7
109.10138	41.1
111.04387	5.1
111.08054	6.4
115.04014	3.2
115.05448	3.7
117.06966	7.9
119.04922	13.6
119.08592	17.8
121.06493	35.2
121.10127	77.9
123.03577	3.6
123.04410	48.0
123.08041	8.0
123.11658	7.5
125.09592	5.7
127.03891	12.0
128.06215	11.3
129.07021	5.6
131.04918	11.0
131.08528	7.2
133.06453	10.2
133.10095	14.0
135.08041	6.1
135.11685	17.9
136.12012	5.1
137.02338	4.3
137.05960	78.3
137.09581	14.2
139.11220	3.0
141.06956	3.0
142.07773	3.6
143.04860	4.9
143.08542	13.1
145.06453	8.0
147.04387	12.6
147.08018	6.6
147.11649	5.7
149.05965	81.1
149.09616	16.6
149.13257	8.7
151.07564	19.0
157.06485	4.9
157.10162	3.9
159.08015	4.6
159.11670	3.5
161.05968	19.2
161.09560	3.7
163.03935	4.9
163.07501	15.6
163.11063	3.7
165.05463	40.9
167.07042	73.8
167.10660	11.5
168.62315	2.5
169.10196	4.6
170.02931	2.6
171.08028	12.0
173.05920	10.4
173.09616	5.6
173.13228	3.5
174.06799	4.5
175.07538	14.3
175.14809	10.4
177.05457	13.9
177.09039	4.2
179.06992	9.4
181.05009	4.8
181.08582	6.0
183.08083	6.3
183.11636	4.3
187.07506	10.5
189.05502	6.4
189.09068	77.1
191.07007	19.0
191.10655	10.1
191.14131	3.0
193.08627	3.3
195.11624	2.8
199.07506	6.3
201.09122	10.8
203.07028	10.0
203.10670	9.8
205.08607	10.6
207.10085	42.7
211.07550	4.2
211.11147	6.3
215.07047	3.3
215.10681	5.5
217.08516	5.7
219.10118	4.6
227.10556	4.2
229.08670	22.5
229.12202	22.0
231.10062	4.7
233.08179	3.3
239.14291	11.4
245.08089	6.7
247.09380	3.5
247.13307	6.4
257.08057	4.2
257.15332	26.3
263.08936	3.7
267.13776	12.1
270.12595	4.1
275.16434	26.7
285.14838	78.7
299.09085	11.7
303.04968	47.2
303.15863	38.8
309.15057	3.5
313.17773	7.1
317.10373	3.6
325.10583	6.6
411.18082	4.1
429.18832	6.5
447.20380	20.2
465.21655	11.1
465.28159	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	465.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.5
57.48009	2.2
62.66632	2.3
63.01297	2.3
67.05495	3.4
69.03411	9.7
69.07041	6.1
69.35291	11.5
69.35723	12.3
71.04974	4.4
73.02894	8.1
79.05466	3.3
81.03407	6.0
81.07044	5.1
83.04964	2.9
85.02892	15.8
89.03930	5.3
91.05464	8.7
93.07031	18.8
95.04929	3.7
95.08580	6.0
97.02883	8.3
97.06526	2.6
103.05428	4.4
107.04929	4.4
107.08570	9.2
109.02873	4.8
109.06464	2.8
109.10149	3.8
115.03933	4.8
117.03378	18.2
118.97946	3.0
119.04904	4.6
119.08585	3.6
121.02814	4.8
121.10084	3.1
123.04432	6.6
127.03914	38.2
129.06992	4.2
131.08513	4.2
135.04430	4.5
135.11757	12.5
135.12584	2.6
137.05940	7.1
138.05426	4.7
145.02835	48.0
147.04395	10.7
148.04800	2.9
149.05971	10.4
151.07532	5.0
153.01717	2.7
153.05414	2.8
153.12727	3.2
157.06424	3.6
161.05983	12.6
161.09650	3.8
163.03917	3.2
163.07521	3.7
165.05460	4.5
166.04971	5.9
167.07039	20.7
175.07489	5.0
177.05464	100.0
181.08559	17.4
189.09067	16.8
201.20009	2.8
207.10133	4.6
219.10124	12.4
250.54929	3.1
272.11456	3.7
285.12054	8.4
303.04965	45.7
303.13379	30.5
304.05243	4.3
315.12097	4.6
317.13660	4.4
343.15417	7.7
360.15497	6.0
361.16211	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	465.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.5
53.21840	2.6
55.01856	5.2
55.05489	7.9
55.52375	2.7
57.03426	7.0
61.02918	7.2
65.03928	3.4
67.05505	19.2
69.03430	26.5
69.07036	9.1
69.47189	6.8
69.47601	15.3
71.04987	5.2
73.02899	6.5
75.04467	4.7
79.05493	24.1
81.03417	28.2
81.07049	30.8
85.02898	28.1
91.05475	47.9
93.07036	100.0
94.07383	3.4
95.04950	21.5
95.08607	36.5
97.02882	14.4
97.06540	3.9
97.10140	7.8
98.21614	2.7
99.04433	5.0
102.04834	3.0
103.05445	8.2
105.07015	21.6
107.01549	2.4
107.04937	3.7
107.08596	29.2
108.08965	3.1
109.02846	16.2
109.06519	13.7
109.10138	41.1
111.04387	5.1
111.08054	6.4
115.04014	3.2
115.05448	3.7
117.06966	7.9
119.04922	13.6
119.08592	17.8
121.06493	35.2
121.10127	77.9
123.03577	3.6
123.04410	48.0
123.08041	8.0
123.11658	7.5
125.09592	5.7
127.03891	12.0
128.06215	11.3
129.07021	5.6
131.04918	11.0
131.08528	7.2
133.06453	10.2
133.10095	14.0
135.08041	6.1
135.11685	17.9
136.12012	5.1
137.02338	4.3
137.05960	78.3
137.09581	14.2
139.11220	3.0
141.06956	3.0
142.07773	3.6
143.04860	4.9
143.08542	13.1
145.06453	8.0
147.04387	12.6
147.08018	6.6
147.11649	5.7
149.05965	81.1
149.09616	16.6
149.13257	8.7
151.07564	19.0
157.06485	4.9
157.10162	3.9
159.08015	4.6
159.11670	3.5
161.05968	19.2
161.09560	3.7
163.03935	4.9
163.07501	15.6
163.11063	3.7
165.05463	40.9
167.07042	73.8
167.10660	11.5
168.62315	2.5
169.10196	4.6
170.02931	2.6
171.08028	12.0
173.05920	10.4
173.09616	5.6
173.13228	3.5
174.06799	4.5
175.07538	14.3
175.14809	10.4
177.05457	13.9
177.09039	4.2
179.06992	9.4
181.05009	4.8
181.08582	6.0
183.08083	6.3
183.11636	4.3
187.07506	10.5
189.05502	6.4
189.09068	77.1
191.07007	19.0
191.10655	10.1
191.14131	3.0
193.08627	3.3
195.11624	2.8
199.07506	6.3
201.09122	10.8
203.07028	10.0
203.10670	9.8
205.08607	10.6
207.10085	42.7
211.07550	4.2
211.11147	6.3
215.07047	3.3
215.10681	5.5
217.08516	5.7
219.10118	4.6
227.10556	4.2
229.08670	22.5
229.12202	22.0
231.10062	4.7
233.08179	3.3
239.14291	11.4
245.08089	6.7
247.09380	3.5
247.13307	6.4
257.08057	4.2
257.15332	26.3
263.08936	3.7
267.13776	12.1
270.12595	4.1
275.16434	26.7
285.14838	78.7
299.09085	11.7
303.04968	47.2
303.15863	38.8
309.15057	3.5
313.17773	7.1
317.10373	3.6
325.10583	6.6
411.18082	4.1
429.18832	6.5
447.20380	20.2
465.21655	11.1
465.28159	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	465.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.8
55.01862	4.4
55.05503	8.3
57.03423	3.7
57.07060	2.3
59.04971	1.7
61.02905	4.8
63.87276	1.4
64.54727	1.7
65.03930	4.9
67.05505	9.6
68.99798	2.1
69.03416	17.4
69.06781	1.3
69.07065	12.5
71.02799	3.4
71.04977	2.3
73.02914	9.6
77.44324	1.4
79.05482	12.0
81.03407	9.7
81.07037	21.1
83.04958	5.7
83.08597	5.3
85.02896	41.5
85.06546	2.3
87.04459	2.5
91.05472	46.0
92.05774	2.5
93.07033	31.3
94.07367	6.2
95.04938	4.9
95.08591	16.7
97.02892	14.0
97.06522	6.1
97.10142	4.8
98.20789	1.9
99.04422	3.3
100.11235	6.1
103.05464	1.6
105.07031	17.2
107.04965	4.3
107.08576	33.1
108.08924	5.1
109.02870	6.7
109.06522	16.5
109.10140	10.4
111.04440	13.3
111.08005	1.9
115.03925	3.4
115.05447	3.4
117.03378	2.7
117.06984	2.3
119.04935	23.0
119.08575	14.6
120.05280	2.2
121.02850	3.5
121.06487	23.7
121.09238	1.7
121.10127	44.5
123.04417	62.6
123.08066	3.4
123.11683	9.1
125.05965	2.2
125.09598	4.0
127.03912	12.6
128.06151	1.9
129.07005	3.2
131.04939	3.1
131.05887	1.6
131.08580	5.0
133.04987	2.6
133.06476	3.5
133.10115	15.8
135.04402	3.9
135.11676	30.3
136.12004	16.3
137.02335	3.3
137.05963	100.0
137.09578	3.2
137.13304	2.7
138.06285	1.6
138.09216	1.6
139.03908	2.9
139.11174	10.1
143.08572	2.8
145.02831	4.1
145.04950	6.1
145.06477	2.4
145.10091	3.2
147.04393	33.7
147.07982	1.7
147.11711	3.0
147.22650	1.5
148.04695	11.9
149.05977	6.0
149.09604	42.7
149.13208	7.7
150.09901	1.6
151.03908	5.1
151.07515	4.9
151.31610	1.5
153.01846	2.5
153.05437	3.6
156.10231	7.4
157.10406	3.0
159.11678	3.7
161.05972	9.8
163.03891	4.4
163.07520	5.9
163.11102	2.0
165.05464	22.5
167.07018	1.7
167.10666	47.3
169.10088	1.7
173.05925	3.0
173.13228	2.0
175.07541	4.5
175.14806	7.4
177.05437	19.8
177.09009	1.8
178.05740	2.8
179.07027	5.8
179.08505	2.0
181.04984	1.6
185.11713	2.2
187.07494	4.0
189.05434	7.0
189.09123	2.0
191.07053	7.2
193.08636	4.1
197.09639	1.6
199.07533	3.1
201.05476	3.4
203.07001	4.0
205.08571	4.1
207.06497	3.3
217.08578	3.4
219.06433	2.2
229.04997	3.7
229.08543	2.2
243.10080	2.2
243.13658	1.6
245.07979	2.9
273.07553	2.1
275.16342	1.8
285.07416	3.2
285.12170	1.9
297.07602	1.9
299.09024	13.1
303.04984	85.4
303.08319	3.5
303.16019	9.5
304.05310	4.8
311.09024	2.6
313.17966	7.5
317.10187	6.8
323.09109	1.9
325.10757	4.7
341.09918	3.4
401.30515	3.2
447.21484	6.4
464.83087	22.8
465.22949	17.3
465.33307	9.3
465.83078	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01874	1.7
55.05499	2.7
57.03436	1.2
61.02916	2.3
65.03917	1.0
67.05491	3.5
68.99791	1.4
69.03429	5.8
69.07041	2.1
71.04977	1.1
71.53331	1.9
73.02921	6.8
79.05487	8.8
81.03413	6.6
81.07044	7.7
83.04961	2.6
85.02894	13.8
85.06532	1.3
87.04471	1.0
91.03941	0.8
91.05474	10.4
93.03391	1.9
93.07035	26.6
95.04955	3.3
95.08600	3.3
97.02900	7.2
97.06521	1.0
99.04456	2.6
103.03952	1.0
103.05460	2.4
105.07034	7.7
107.04910	2.1
107.08575	4.7
109.02871	2.6
109.06509	1.3
109.10136	2.4
111.00803	1.1
111.04433	1.8
115.03883	1.2
115.05475	1.2
117.07024	1.4
119.04921	3.7
119.08572	2.4
120.05231	1.1
121.02124	0.9
121.02846	5.9
121.06506	2.7
121.10133	11.7
123.04374	4.4
123.08092	0.7
123.11697	1.0
127.03922	3.5
129.06975	2.4
131.04913	2.4
131.08574	2.7
133.04932	1.2
133.06496	2.5
133.10141	1.8
135.04417	1.1
135.11699	3.4
137.02371	4.7
137.03288	0.9
137.05971	9.4
139.03882	2.3
143.08516	1.2
145.04951	2.3
145.10132	1.0
147.04399	8.9
147.08025	1.3
147.11644	1.0
148.04749	1.0
149.05969	3.2
149.09608	41.0
151.03868	1.8
151.07524	4.5
153.01817	5.4
153.05455	1.2
153.12724	1.8
155.04901	1.1
157.06453	2.6
159.11635	1.1
161.05957	6.9
163.03940	2.8
163.07562	1.7
165.01851	2.6
165.05478	16.4
167.07098	1.2
167.10716	2.4
171.08015	1.0
173.05898	2.0
174.06746	1.7
175.03943	1.3
175.07555	4.6
177.05498	2.2
179.07021	4.7
183.02852	1.3
185.05977	1.3
189.05475	2.4
189.09081	0.9
191.07040	2.1
199.07539	2.9
201.05473	3.7
203.07045	7.0
205.08598	1.5
207.06496	1.2
209.11705	1.2
217.08566	2.7
219.06517	1.6
221.08083	2.8
227.07054	1.3
229.04919	5.1
233.08009	1.4
239.10748	0.8
245.08122	8.4
251.12805	3.3
257.04453	2.8
257.11859	1.1
263.09198	6.4
281.10263	1.4
285.03955	1.0
285.12286	1.3
303.04962	100.0
303.16788	1.7
304.05362	6.3
313.17935	2.4
429.19299	1.7
465.16876	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01858	2.4
55.05504	2.7
57.03420	4.0
61.02914	2.4
63.07854	2.0
65.03928	3.4
67.05505	5.0
69.03417	9.5
69.07058	8.2
69.87858	14.7
71.04988	3.4
73.02918	9.2
73.58083	2.0
77.26826	2.3
78.04697	2.7
79.05489	6.8
81.03406	6.0
81.05394	2.0
81.07056	8.4
83.04986	5.7
85.02894	18.7
89.03908	4.7
91.05480	11.5
93.07043	20.3
94.83727	2.2
95.04954	4.4
95.08595	7.2
97.02878	9.1
97.06510	4.1
98.21462	2.5
105.07038	5.3
107.04962	7.1
107.08562	12.6
109.02872	4.6
109.10126	5.4
111.04433	2.9
117.03352	15.2
117.07016	3.3
119.04967	4.5
119.08609	4.1
121.02875	3.9
121.06532	6.2
121.10153	7.0
123.04423	7.1
123.11706	2.3
127.03900	33.0
129.06979	4.3
131.04974	2.8
131.08557	5.1
133.04953	5.2
133.10147	4.0
135.04422	2.8
135.11671	12.2
137.02341	4.2
137.05972	9.6
138.05460	6.8
138.09123	2.8
140.04643	2.7
141.06952	3.0
145.02834	39.2
145.04935	2.6
145.06441	3.7
145.10057	2.4
147.04408	8.2
148.04813	4.5
149.05962	8.3
151.03877	3.2
151.07512	7.8
153.01898	3.1
153.05417	5.2
153.12733	4.9
155.07022	5.1
157.06474	6.3
161.05949	13.9
161.09625	4.3
163.03865	6.2
163.07532	5.4
165.05530	5.6
165.06934	2.5
165.09120	3.7
166.05003	10.0
167.07050	26.5
174.06795	5.4
175.07555	6.3
177.05455	100.0
177.08940	3.4
181.08560	21.3
189.09106	22.2
191.07069	3.3
195.26901	2.1
201.09145	2.1
207.10182	4.9
219.10159	14.4
242.11650	2.2
257.12314	3.7
272.11624	5.6
273.53531	2.5
274.09375	3.0
283.09720	5.1
285.12329	13.2
289.50909	2.5
299.05612	3.2
303.04993	52.0
303.13358	38.6
304.05301	3.9
311.13025	3.4
315.12146	4.5
317.13809	10.2
321.09662	7.0
329.13934	4.5
343.15451	10.3
359.14807	2.6
360.15744	9.5
361.16403	31.4
435.19144	2.6
447.10468	3.6
465.17279	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	465.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77794	2.2
53.03945	4.5
54.38892	1.9
55.01868	5.1
55.05495	6.4
57.03427	9.3
59.04993	2.8
61.02917	7.2
65.03938	1.9
67.05500	9.1
69.03426	15.4
69.07065	14.4
71.04976	3.1
71.52591	2.7
73.02911	20.1
79.05478	7.9
81.03420	7.0
81.07044	11.8
83.04977	5.1
83.08593	2.5
85.02903	32.3
85.06509	2.3
91.05461	11.8
93.03391	1.7
93.07033	35.3
95.04939	11.3
95.08604	15.7
97.02892	22.9
97.06532	6.8
97.99454	1.8
99.04465	2.6
105.04511	2.3
105.07019	7.2
107.04952	6.5
107.08596	23.7
109.02888	6.9
109.06526	3.1
109.10151	8.0
111.04463	2.8
111.08093	2.6
114.71156	1.6
115.03915	6.2
115.05442	2.1
117.03374	3.5
117.07059	3.3
119.04943	5.5
119.08585	4.8
121.02830	4.2
121.06541	4.6
121.10141	6.4
123.04414	8.2
123.08041	2.8
123.11674	2.3
125.09717	2.3
126.05418	2.3
127.03910	14.2
129.07001	5.1
131.04988	2.6
131.08568	4.1
133.04941	10.8
133.10114	3.6
135.04370	2.1
135.08128	2.0
135.11688	17.4
137.02319	5.1
137.05971	9.9
138.05519	5.2
138.09129	2.5
140.04646	2.0
145.02856	7.3
145.04915	10.5
145.06480	2.7
145.10149	2.6
147.04430	12.5
148.04771	3.6
149.05994	3.0
149.09613	2.0
149.13181	2.7
151.03963	3.2
151.07507	3.5
153.01836	8.0
153.05530	1.9
153.12746	8.3
157.06451	3.8
161.05965	11.1
161.09656	3.0
163.03891	5.3
163.06038	2.9
163.07549	3.1
165.01770	3.3
165.05450	3.4
166.04932	3.2
167.07019	18.1
173.05876	1.8
174.06674	3.3
175.07568	4.6
175.14859	2.2
177.05463	17.1
177.09126	2.9
181.08553	12.2
189.09050	10.7
201.05397	3.1
207.10159	3.0
219.10069	9.1
219.98996	2.8
229.04932	5.5
253.08627	2.4
257.04388	3.7
272.11493	2.1
283.09790	2.4
285.12015	6.6
299.05475	3.5
303.04968	100.0
303.13269	17.9
304.05353	8.3
311.05304	2.0
311.12646	4.0
315.12253	4.4
317.13950	4.5
335.96677	2.1
343.15314	6.0
360.15686	5.7
361.16455	16.0
372.15210	2.2
435.10553	3.1
447.10675	3.7
465.11569	3.1
465.17133	2.9
465.23044	4.1
479.71341	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59479	1.3
55.05502	1.7
57.03429	3.5
59.88915	1.3
60.81984	1.5
61.02926	2.7
62.59439	1.3
67.05501	3.2
67.29549	1.3
69.03426	4.8
69.07059	3.2
69.59501	11.0
71.04996	4.2
72.35958	1.3
73.02917	16.0
81.03405	2.6
81.07056	4.8
83.04975	1.8
85.02901	13.7
86.72623	1.5
87.04446	1.6
89.03907	1.9
91.05503	2.2
93.07040	6.7
95.04977	2.4
95.08604	3.4
97.02876	6.4
105.07022	2.3
107.04930	2.0
107.08577	4.9
111.08063	2.2
119.08612	2.6
121.10127	2.1
123.04448	3.0
124.07682	1.8
127.03903	2.8
133.04942	3.4
135.04402	3.4
135.11687	4.5
137.02341	3.1
137.05986	3.9
145.02902	1.6
145.05002	1.8
153.01770	3.1
153.12737	11.2
163.03867	14.7
165.01810	2.5
201.05394	2.6
229.04973	6.2
257.04468	3.2
285.03809	2.1
303.04959	100.0
304.05212	7.3
319.04248	2.3
341.05066	1.4
393.44400	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03394	3.5
69.40626	4.6
69.41026	20.0
71.04964	2.7
73.02910	6.4
81.03384	3.5
81.07038	5.0
85.02908	10.0
93.07040	4.6
97.02873	6.1
107.08591	5.4
115.03934	4.0
115.47247	2.7
128.81012	2.4
137.02351	4.9
153.01831	3.6
153.12717	7.1
229.05016	7.4
257.04443	4.9
303.04965	100.0
304.05136	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	465.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.3
53.03932	5.8
55.01867	6.7
55.05503	33.4
57.03430	21.6
57.07063	3.3
59.04986	1.6
65.03929	3.3
66.27277	1.0
67.05497	82.6
69.03423	8.7
69.07060	23.7
69.23354	11.3
71.01346	5.1
71.04982	10.9
72.52758	1.0
79.05483	71.7
81.03411	63.1
81.07044	55.3
83.04972	23.9
83.08607	26.0
85.02896	38.0
85.03432	1.4
85.06547	5.2
91.05470	59.2
93.07032	79.4
95.04957	47.0
95.08594	26.2
97.02886	5.5
97.06521	15.8
97.10152	17.2
99.04430	3.2
99.08061	1.7
105.04480	2.5
105.07015	33.3
107.04948	11.2
107.08579	47.6
108.08893	1.3
109.02859	2.8
109.06508	9.5
109.10139	14.5
111.04430	3.9
111.08078	15.5
113.06002	4.0
115.05426	2.7
117.06992	10.0
119.04942	1.9
119.08565	27.2
121.06503	6.6
121.10123	17.0
123.04426	7.1
123.08082	4.2
123.11688	4.4
125.09669	5.1
127.03897	2.1
128.06221	1.4
129.06998	12.9
131.04974	1.2
131.08551	13.9
133.06488	3.2
133.10103	14.9
135.04518	1.3
135.08015	3.9
135.11671	54.7
136.12093	1.6
137.05945	5.8
137.09579	5.4
139.03888	4.0
142.07765	2.9
143.08549	3.1
145.10091	14.1
147.04382	3.1
147.08015	3.5
147.11670	15.8
149.05928	1.4
149.09607	8.2
149.13266	3.5
151.03883	12.6
151.07500	3.4
151.11134	2.5
153.01886	1.7
153.05460	2.7
153.12799	2.5
157.10123	14.8
159.11696	3.0
161.05974	1.5
161.09547	1.3
163.03873	1.5
163.11148	8.7
165.05530	2.7
165.09171	1.0
165.12743	3.6
169.15933	2.2
171.11656	1.3
173.06012	1.2
173.13271	1.7
175.07513	1.2
175.11165	14.6
175.14648	2.1
181.12221	7.9
183.11670	1.2
187.07495	3.2
187.14841	1.2
189.11177	1.4
189.12767	1.4
193.12224	65.0
194.12560	1.8
203.10806	1.1
203.14299	1.5
205.12195	1.7
211.13261	71.8
212.13660	2.2
223.13297	1.3
229.04865	1.5
229.14276	1.5
233.19029	1.8
249.14690	1.4
251.20012	2.2
255.15883	6.4
255.18201	1.1
267.15765	5.4
303.04987	26.2
303.08588	10.8
327.23083	1.6
329.20996	3.4
355.22754	1.5
373.23709	6.2
403.24707	2.3
421.25937	2.6
429.26184	1.6
447.17874	1.4
447.27411	8.5
465.28433	100.0
466.28738	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63906	7.5
55.05508	37.8
57.07053	26.5
62.28751	8.0
67.05494	68.2
69.07060	61.0
70.65989	26.2
71.08611	8.1
79.05471	18.8
81.07051	100.0
83.08608	49.0
90.53053	8.0
93.07033	29.6
95.08601	75.7
97.10167	43.2
105.57845	8.2
107.08576	21.9
109.10160	40.0
111.11712	19.6
113.57500	7.6
121.10116	33.8
123.11679	25.8
125.13259	10.9
135.11661	24.2
137.13252	13.7
149.13277	11.9
197.95491	8.7
325.90421	8.4
429.44418	27.2
444.10757	9.9
447.06320	7.7
447.45383	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38314	2.0
52.53336	1.9
55.01841	4.3
57.03433	21.2
59.04986	4.2
60.04510	4.1
61.02905	2.5
61.92264	2.0
62.06061	3.0
63.04017	2.1
69.03419	72.2
70.87363	4.4
71.36155	1.9
73.02886	4.3
75.04447	2.8
85.02896	57.0
87.04462	42.1
91.05482	16.7
97.02288	4.2
97.02884	56.0
99.04441	3.0
105.07012	3.8
109.02865	3.6
115.03922	71.6
119.04905	12.0
123.04433	9.2
124.04694	2.3
127.03894	8.1
131.08572	3.1
133.04950	66.3
133.06450	4.3
137.05968	100.0
139.03850	6.0
145.04936	9.2
147.04381	4.7
147.08093	2.6
149.05978	2.9
150.07599	6.5
151.07536	18.3
155.07007	13.4
161.06035	12.2
163.03882	2.8
163.06050	2.4
163.07471	3.2
165.05458	45.6
167.07018	2.6
173.05936	5.2
175.07515	2.2
177.05600	2.2
179.07018	37.6
187.07512	3.2
191.07021	6.2
193.08545	2.7
197.07988	6.7
203.07042	8.1
205.08641	6.7
215.07199	3.5
221.08055	13.1
233.08052	28.2
251.09167	22.9
259.08044	2.4
263.09259	4.2
268.09509	5.4
299.11124	2.8
466.26312	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	466.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.4
55.05492	3.5
57.03434	20.0
57.07069	3.3
61.02927	15.0
66.15721	1.5
67.05491	7.0
69.03077	2.9
69.03419	37.5
69.07059	15.8
69.08298	1.5
71.01334	6.6
71.04974	2.7
71.20088	3.9
72.04484	1.9
73.02907	78.9
79.05473	4.8
81.03387	6.2
81.07048	100.0
85.02892	88.0
85.06547	2.9
85.95744	1.6
87.04433	4.9
91.03941	3.8
91.05444	4.1
93.07021	7.7
95.08594	33.3
97.02879	56.8
97.06539	2.0
99.04410	5.1
103.03938	4.3
105.06990	3.1
107.08563	4.4
109.02864	8.5
109.10126	4.3
111.08066	2.1
111.11697	18.9
114.70239	1.6
115.03144	3.2
115.03912	31.9
121.10138	3.1
123.11726	3.3
127.03907	23.8
131.08545	1.9
132.06544	2.5
133.04942	32.7
135.11658	2.9
137.13239	35.1
137.45871	1.7
145.04947	33.7
150.07605	5.8
153.12677	4.7
155.14310	16.8
161.13177	2.1
163.05992	14.7
165.12715	3.3
179.14331	2.7
191.14204	2.3
193.04886	3.9
203.14099	2.3
213.11230	2.0
223.06012	5.5
233.15358	2.8
241.07088	7.6
251.16463	3.2
259.08005	8.3
433.00833	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01866	3.0
56.41727	0.7
57.03420	4.8
59.04996	0.7
59.34248	0.8
60.57047	0.7
61.02927	4.5
63.32899	0.7
67.05501	2.2
69.03425	11.3
69.07045	1.5
69.95908	1.7
69.96328	2.2
71.01353	0.9
73.02503	1.5
73.02908	20.7
73.74577	0.7
79.05495	4.8
81.03406	3.0
81.07047	100.0
81.51172	0.7
82.07359	0.9
83.04991	0.7
85.02897	30.9
86.39731	0.6
87.04467	1.0
93.06990	0.8
95.08603	9.1
97.02882	19.6
98.20863	0.8
99.04450	2.3
102.27164	0.7
103.03898	1.1
109.02869	3.6
109.10144	1.1
115.03914	8.4
123.04397	1.7
127.03888	10.5
130.36839	0.8
133.04945	15.4
137.05992	1.1
137.13240	64.0
145.04942	13.7
150.07626	1.0
163.06000	10.4
182.72679	0.7
193.04932	0.7
217.06964	0.9
223.05940	4.1
241.06993	3.4
252.27753	0.7
259.08118	7.7
269.92010	0.7
277.09152	1.4
295.10104	3.9
298.45157	0.8
299.18640	0.8
300.09909	0.7
317.19662	2.5
363.63791	0.8
419.88617	0.8
431.61972	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42259	2.0
55.05506	22.3
57.03430	2.4
57.07071	26.9
60.08523	2.1
62.91773	1.9
67.05500	39.6
69.03416	4.9
69.07068	18.6
70.07845	5.0
70.08249	7.1
71.08633	17.5
79.05492	21.5
81.03412	6.4
81.07055	65.6
83.04985	5.4
83.08624	8.1
85.02896	13.1
85.06537	3.1
85.10185	14.1
91.05488	11.6
91.44119	1.9
93.07034	35.7
95.04967	6.3
95.08604	100.0
96.08921	3.1
97.06506	4.8
97.10158	6.4
99.04483	2.5
101.05967	2.6
105.07027	7.8
107.04979	2.1
107.08580	30.0
109.10154	30.3
117.07011	4.4
119.08575	8.7
121.06502	6.3
121.10139	17.9
123.04362	2.3
123.08041	4.2
123.11706	14.5
131.07693	2.2
131.08571	9.8
133.10114	9.7
135.08072	8.9
135.11693	8.9
137.06009	2.7
137.13290	3.6
139.07468	2.3
145.10085	8.1
147.11708	5.4
149.09618	7.8
149.13242	9.2
151.11266	2.8
151.14799	18.0
153.09085	5.0
155.14287	3.5
159.11647	5.2
163.11134	3.8
167.10701	3.6
169.15875	60.1
173.13199	5.0
181.12198	5.0
189.16315	4.6
191.17931	13.0
195.13765	3.3
215.17940	29.9
233.18979	32.1
251.20032	47.3
269.21033	19.6
287.22086	20.0
304.05399	3.6
442.82071	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	22.5
57.03420	3.6
61.02921	6.5
69.03409	12.5
69.68531	22.2
73.02898	5.5
81.03396	3.4
84.96030	5.8
85.02895	28.1
97.02889	17.8
98.53839	3.2
98.97563	47.3
100.99139	4.2
101.00863	12.3
103.02392	4.4
109.02859	6.4
110.97547	11.2
112.99145	5.4
113.00840	5.3
115.00649	3.8
115.02392	7.6
116.98620	21.7
117.03982	4.1
119.01910	35.9
119.49581	3.3
123.30627	3.4
124.39523	4.3
127.03882	6.4
128.98582	15.0
131.00163	12.7
131.01881	33.2
133.03467	43.8
134.99651	7.4
135.05058	4.0
137.02914	3.9
137.05974	4.5
141.03949	4.6
143.00220	4.0
143.01857	17.9
145.03445	20.7
145.05016	4.1
146.99634	5.7
147.01416	7.1
147.03265	8.0
147.05057	10.4
149.01163	8.8
151.04503	8.1
155.01912	30.1
157.03421	12.5
158.99593	10.1
159.03304	6.7
159.05005	21.5
161.02942	28.2
163.02734	6.5
163.04323	6.1
165.06107	6.3
168.99857	4.0
170.99715	4.2
171.01266	3.4
171.05013	26.0
173.02975	32.4
173.06577	6.9
174.02931	5.8
175.02608	3.8
175.04475	11.7
177.00748	11.8
177.04274	16.6
177.06039	13.9
178.04889	11.5
178.55058	4.4
181.03775	3.3
183.04961	9.7
185.02998	8.6
185.06592	9.4
187.04488	9.3
189.02512	4.7
189.04324	8.7
189.06076	24.0
191.03964	3.9
191.05797	3.4
193.03778	4.3
195.05402	8.1
195.07100	5.6
197.02971	13.0
199.04495	3.9
201.04341	8.6
201.06073	20.0
203.03987	13.6
203.05728	3.9
203.07715	7.6
205.05719	4.8
211.04503	4.8
213.06078	8.2
215.04063	3.9
215.07616	3.8
217.01970	5.0
219.01804	25.0
219.05305	6.2
219.07143	22.4
221.05075	45.2
225.06216	4.7
231.07132	28.7
233.08864	4.4
234.88692	3.7
237.02754	42.9
245.05013	32.6
255.03618	3.9
255.07210	9.6
259.06747	9.6
260.06802	4.9
261.08307	27.4
273.08130	12.5
279.04181	4.1
279.09366	39.2
287.06113	4.3
291.09277	19.1
293.05408	7.7
293.08566	3.6
295.06851	4.6
303.09390	4.2
305.07486	5.3
305.10782	7.7
307.08188	4.0
309.10175	6.7
315.01794	5.7
317.06909	4.4
318.10574	14.5
319.08224	4.5
321.10516	100.0
322.10468	5.2
333.10471	3.1
337.08493	4.9
339.09351	23.0
343.01187	3.6
347.08478	5.5
349.08868	6.0
361.02353	4.1
375.03918	9.1
383.61163	3.7
393.05029	4.4
407.08737	7.4
435.09671	15.3
467.12289	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.156
Annotation	Saccharumoside B
Peak:m/z	Relative Intensity
53.03935	1.7
55.01867	1.4
57.03417	1.1
61.02912	1.0
65.03912	2.3
67.05489	3.7
69.03415	2.0
71.04960	0.7
71.52195	0.5
71.52605	0.9
73.02933	0.6
79.05495	0.8
81.03412	2.9
81.07042	1.4
83.79458	0.5
85.02898	5.6
85.06525	0.7
91.05477	2.8
93.07034	1.2
95.04965	1.9
95.08630	1.0
97.02876	2.5
99.04447	0.6
103.05489	0.8
105.07010	2.4
107.04967	1.0
107.08566	0.6
108.02088	2.4
109.02867	1.4
111.04445	2.2
115.05421	1.2
117.07063	0.6
119.04925	2.4
121.06497	1.1
121.10163	0.6
123.04429	4.2
125.05989	1.3
127.03889	0.8
128.06178	0.8
129.07014	2.2
131.04883	1.4
133.06465	1.5
135.04425	1.2
137.02327	0.7
137.05963	6.1
141.05464	2.6
141.07028	0.9
142.03207	2.3
143.04877	0.6
145.04968	0.8
145.06444	1.4
147.04393	7.7
149.05901	3.4
151.03897	100.0
151.04974	6.6
151.07413	2.6
152.04198	1.2
153.01900	1.0
153.05507	0.7
153.07007	0.6
153.85149	0.7
157.06487	2.2
159.09108	0.5
161.06021	4.0
163.03932	1.5
165.05458	9.6
166.08646	0.6
167.07021	0.7
169.04962	2.1
173.06013	1.9
174.06789	0.6
175.07561	3.2
176.32510	0.6
177.05450	1.6
179.07018	5.1
181.04942	0.6
181.06473	1.3
185.05956	1.4
187.07576	0.9
189.05484	1.4
190.53345	0.5
191.03409	0.7
191.07040	1.3
195.06529	0.8
197.05962	0.9
199.07556	1.6
203.07001	6.4
205.08621	1.2
217.08632	1.9
221.08080	2.0
227.07004	1.6
233.07976	1.3
245.08078	6.0
253.07037	3.3
263.09134	5.9
271.09781	0.9
281.10251	1.1
283.02307	0.8
287.13995	0.6
295.08228	1.2
297.03873	0.8
303.04947	5.2
304.05295	4.8
305.05505	11.2
313.08954	0.7
315.04962	0.9
340.20325	0.6
373.05881	0.6
467.19080	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	467.267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
54.04261	0.6
54.80818	0.5
54.89478	0.6
55.01869	3.5
55.05501	4.8
57.03430	5.9
57.07072	1.7
57.31383	0.6
58.03750	1.1
59.04986	1.0
61.02920	3.9
65.03939	0.7
67.05497	6.1
69.03419	13.6
69.07059	7.2
70.03761	2.7
71.01336	1.4
71.04986	0.7
71.52969	1.3
73.02911	17.8
74.03235	3.0
79.05479	7.8
80.05808	1.6
81.03411	6.2
81.07047	100.0
82.03722	0.7
82.07378	30.9
83.04977	1.8
83.08614	2.2
85.02897	27.1
85.06536	2.0
86.03232	5.5
87.04462	1.5
91.03929	0.9
91.05489	3.8
93.07033	6.8
95.04959	2.9
95.08595	16.5
96.08917	3.2
97.02882	15.1
97.03519	0.8
97.06524	2.7
97.10162	5.6
98.03214	4.6
98.97556	0.6
99.04434	2.6
99.08091	1.9
100.04797	0.7
100.11285	0.8
103.03934	1.1
103.05457	0.8
105.07018	3.8
107.04974	1.7
107.08579	7.6
109.02888	5.2
109.06502	1.9
109.10161	6.5
110.03201	0.7
111.04434	1.5
111.08091	1.6
111.11714	1.0
115.03923	8.0
116.04248	2.5
117.07004	0.9
119.04953	1.0
119.08559	4.4
121.02894	0.8
121.06509	1.5
121.10132	6.1
122.10490	1.2
123.04420	5.7
123.08096	1.2
123.11668	4.5
124.04803	1.1
125.09631	1.2
127.03899	10.6
128.04274	2.5
128.10713	0.9
131.04921	0.9
131.08557	2.0
133.04953	10.3
133.10144	2.8
134.05316	3.6
135.04395	1.6
135.08040	1.0
135.11697	2.8
137.05963	5.9
137.09596	0.7
137.13240	36.1
138.13576	30.6
139.03899	1.2
139.11180	1.8
143.08572	1.5
143.10641	1.3
145.04955	11.1
145.06273	0.8
145.06465	0.7
145.10158	1.4
146.05278	4.0
147.04384	2.0
147.11679	1.9
149.05978	1.5
149.09537	1.1
149.13226	3.8
150.07582	1.1
151.03893	1.7
151.07561	1.1
151.11220	1.0
153.05446	1.0
155.16325	0.7
157.10117	1.5
157.12247	1.3
159.11658	1.5
161.06021	1.3
161.13243	1.4
163.03908	2.4
163.06012	6.6
163.14799	1.5
164.06381	2.7
165.05458	1.6
167.07094	1.0
168.13812	0.9
169.04906	0.6
169.10112	0.7
171.11728	0.7
173.13237	1.3
175.07465	0.7
175.11137	0.8
177.05478	1.9
177.16499	0.7
189.09097	1.4
190.09482	0.7
193.04976	1.2
201.12701	0.7
203.10619	0.8
217.07204	1.1
223.06004	1.5
224.06427	2.0
241.07147	2.5
242.07422	2.1
247.02501	0.7
249.18628	0.8
259.08020	3.4
260.08386	4.5
277.09097	0.8
287.20157	0.7
287.23682	1.2
295.10352	2.0
296.10660	2.4
299.09048	1.1
305.24774	1.8
318.19943	1.1
413.26779	1.4
449.28860	2.0
467.18921	2.6
467.29953	2.1
467.35788	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	9.6
57.03426	9.9
57.07072	33.1
67.05501	16.6
67.54173	1.9
69.07076	10.2
71.08620	25.9
71.52245	3.2
72.59015	1.9
81.07044	15.1
83.08632	10.8
84.91494	2.1
85.10168	9.3
91.05488	2.3
93.07018	3.0
93.98822	1.9
94.86939	2.3
95.08601	20.4
97.10167	5.2
98.98453	40.3
98.99044	3.0
105.06971	2.5
109.10140	11.3
115.95772	2.4
123.11637	2.8
127.60237	2.2
134.53793	2.0
137.00000	3.9
155.01033	51.5
173.11696	2.9
239.23717	4.1
265.55920	2.4
313.27335	100.0
314.27661	2.4
449.26624	12.1
467.37424	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	467.2999
Annotation	Virescenoside Q
Peak:m/z	Relative Intensity
53.03934	6.8
55.01860	3.4
55.05506	37.6
57.03431	6.0
57.07067	8.2
59.04998	2.2
62.77565	2.1
67.05495	33.9
69.03418	30.6
69.07060	49.0
71.04978	6.8
71.08630	3.0
71.26690	3.8
79.05488	26.9
81.03412	40.0
81.07046	100.0
83.04975	6.0
83.08604	11.3
85.02887	12.1
85.06538	4.1
91.05460	21.6
93.07034	56.9
95.04938	10.6
95.08599	75.8
97.02877	11.7
97.06522	13.3
97.10154	30.7
99.04447	10.8
105.07025	35.8
107.04926	5.3
107.08582	48.7
109.02869	18.3
109.06531	10.7
109.10146	41.9
111.04428	5.5
111.08079	7.8
111.11726	11.6
115.03901	2.6
117.06989	4.6
118.95920	1.9
119.08561	29.1
119.09360	2.7
121.06503	3.9
121.10130	33.8
123.04432	3.4
123.08058	6.7
123.11691	37.8
125.09626	8.0
127.03876	15.9
129.05431	2.1
129.07033	3.3
131.08566	11.3
133.10118	27.2
135.08038	4.7
135.11671	23.4
135.12596	2.8
137.06003	4.5
137.09595	4.8
137.13261	7.1
137.78497	2.4
139.11163	18.1
142.07796	2.4
143.08537	5.9
143.10597	2.5
145.06487	3.3
145.10109	14.8
147.08054	3.4
147.11670	23.4
149.09616	3.7
149.13251	28.9
151.11169	6.9
151.14801	2.2
153.12775	2.8
157.10147	6.7
157.12247	8.7
159.08064	3.7
159.11696	18.1
161.09557	2.8
161.13234	17.9
163.07477	2.7
163.11131	5.8
163.14801	9.7
165.12750	5.7
169.10077	3.5
171.11699	5.4
173.13264	6.8
175.07462	2.2
175.11211	3.3
175.14816	6.3
177.12764	4.3
177.16386	2.9
179.14265	2.9
181.15797	2.1
185.13228	4.3
187.11087	3.2
187.14767	3.6
189.16350	5.0
191.14319	2.3
195.17433	2.5
197.13182	2.9
199.14825	3.9
201.16342	3.1
203.17953	2.1
213.12764	5.4
213.16165	2.2
217.15984	2.2
219.17433	3.7
225.16391	2.5
229.15906	2.2
235.31606	2.3
249.18486	3.2
259.24185	6.3
269.22525	3.1
277.25278	5.9
287.23587	9.5
303.23367	2.1
305.24640	18.8
317.24863	2.4
329.24579	3.2
343.07831	2.1
371.25659	2.9
376.31717	2.0
395.25659	2.6
413.26901	10.2
431.27777	8.4
449.28894	18.5
467.30011	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3001
Annotation	Virescenoside Q
Peak:m/z	Relative Intensity
53.03946	9.7
55.01854	5.3
55.05274	2.3
55.05506	37.7
57.03424	5.6
57.07077	12.2
57.07756	2.0
67.05497	40.6
69.03423	26.9
69.07063	48.4
69.64775	4.7
69.65175	13.0
71.04973	7.6
71.08631	3.7
79.05477	27.1
81.03413	52.1
81.07050	100.0
83.04964	9.5
83.08596	17.9
85.02901	12.2
85.06519	5.6
87.03269	2.2
91.05482	26.4
93.06482	3.6
93.07039	65.3
95.04971	13.2
95.08599	83.5
97.02879	12.7
97.06506	9.3
97.10149	25.3
98.21491	3.3
99.04442	11.0
99.08086	2.9
99.91158	2.3
105.07026	44.6
107.04929	4.8
107.08585	51.9
109.02876	18.3
109.06522	12.1
109.09457	3.8
109.10149	41.9
110.10432	1.9
111.04434	6.0
111.08059	7.3
111.11693	9.0
117.07011	5.5
119.08557	36.0
120.08928	2.5
121.06464	5.0
121.10133	36.4
123.04462	5.5
123.05484	1.9
123.08060	6.1
123.10838	2.6
123.11700	39.1
125.02330	2.2
125.09592	9.3
127.03918	24.6
129.06981	2.4
131.08551	11.8
133.10117	31.6
135.08015	3.5
135.11676	29.8
137.05951	5.4
137.09595	5.7
137.13235	8.8
139.11150	11.8
143.08549	6.3
143.10634	2.6
145.10123	18.0
147.11676	35.7
149.09622	5.6
149.13251	39.2
151.07555	2.6
151.11134	6.7
151.14816	3.6
153.12738	2.1
157.10081	7.7
157.12247	6.4
159.07991	4.5
159.11691	18.1
161.09665	3.4
161.13251	19.4
163.11176	5.7
163.14787	16.0
165.12756	5.2
169.10194	2.4
171.11702	6.6
173.09631	3.0
173.13219	7.4
175.11137	3.0
175.14790	11.3
177.12709	4.6
177.16379	6.0
183.11725	2.6
185.13261	5.1
187.14790	5.2
189.12723	2.3
189.16325	7.6
191.14272	4.7
195.11627	2.1
195.17262	2.7
197.13187	2.6
199.14729	3.0
201.16434	2.9
203.17938	3.9
205.15875	2.3
211.14877	2.2
213.12672	3.1
213.16374	3.3
215.14304	2.8
217.26564	1.9
229.16008	3.3
249.18324	2.3
259.24255	5.0
269.22711	3.7
277.25241	9.1
287.23633	8.2
289.25320	3.7
303.23251	2.9
305.24762	21.4
323.25876	3.1
383.25470	2.9
395.25616	3.6
413.26706	6.1
431.27826	12.9
449.28815	17.5
467.29990	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3
Annotation	Lemnaloside D
Peak:m/z	Relative Intensity
51.02347	4.1
53.03927	10.3
55.01858	8.1
55.05505	45.8
57.03416	10.4
57.07057	12.6
59.04985	4.6
61.02902	5.8
65.03897	3.0
67.05494	45.0
69.03088	3.4
69.03423	46.4
69.07059	93.3
69.47101	13.2
69.47527	9.3
71.04963	7.9
71.40943	2.9
73.02892	10.3
77.03201	3.0
79.05481	20.4
81.03408	34.1
81.06589	6.2
81.07043	100.0
82.07392	4.3
83.04951	12.4
83.05387	2.9
83.08593	17.2
85.02891	59.8
85.06509	8.2
85.07664	3.4
87.04443	7.7
91.05462	26.4
93.07032	64.1
94.07359	3.9
95.04957	21.0
95.08590	75.4
97.02876	27.9
97.06539	23.5
97.10153	41.4
98.21484	5.4
98.97534	3.1
99.04422	12.0
99.08081	5.0
105.07024	47.4
107.04950	4.2
107.08581	71.7
109.02879	20.4
109.06493	11.3
109.10141	78.1
111.04422	8.2
111.08059	14.5
111.11685	7.0
115.03930	4.9
117.03308	2.9
117.06937	7.2
119.04923	5.1
119.08566	43.8
120.16718	2.6
121.06474	6.9
121.10117	44.4
123.04421	9.0
123.08046	15.3
123.11691	30.8
124.07597	2.8
125.09586	16.2
127.03894	26.9
129.05536	3.7
131.08546	10.2
133.10129	37.2
135.04431	7.8
135.07994	4.3
135.11671	30.8
137.05957	14.4
137.09605	8.7
137.13203	21.4
138.13603	5.7
139.11177	19.6
142.07643	4.2
143.08519	8.4
143.10657	8.2
143.32254	4.0
145.04883	10.4
145.10117	19.1
146.05258	4.0
147.04379	7.9
147.11674	23.5
149.09608	8.9
149.13223	25.2
151.03853	3.6
151.11128	13.7
153.12761	14.3
155.08501	4.0
156.09351	3.7
157.10094	10.3
157.12167	6.4
159.08078	4.5
159.11679	25.5
161.09618	5.1
161.13271	27.2
163.03911	5.0
163.11163	11.6
163.14780	13.2
165.09090	3.6
165.12720	7.9
166.08647	9.9
167.10654	3.9
170.02728	15.3
171.11624	10.9
173.13243	10.5
175.11150	6.8
175.14796	9.6
177.05414	5.4
177.12761	3.5
179.14255	5.0
185.13278	7.0
187.14813	6.8
189.12698	4.7
189.16422	14.2
191.14297	3.9
201.16335	6.5
205.15814	3.8
213.16377	5.4
215.18083	3.4
217.15852	3.7
217.19458	3.3
219.17409	5.1
227.17853	4.8
229.19508	4.8
231.17444	9.3
259.24179	5.2
275.23776	3.2
287.23648	27.9
299.09174	3.2
305.24652	38.8
413.26947	6.0
431.27682	10.1
449.28738	12.3
467.23370	5.1
467.29883	18.2
467.35715	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	467.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95651	1.2
53.03933	1.7
53.05170	1.1
55.05510	11.2
57.03424	1.8
57.07071	31.1
59.04992	4.5
64.18413	1.3
65.03931	3.3
67.05499	100.0
68.05841	1.8
69.07063	8.2
71.04988	2.7
71.08629	22.8
71.52661	1.9
77.49568	1.1
79.05475	2.9
81.07050	28.6
83.08621	14.5
83.18188	1.2
85.06530	4.0
85.10165	12.3
88.59928	1.3
89.06009	2.0
91.05465	5.9
93.07016	3.4
95.08597	24.5
97.10168	5.3
107.08559	2.0
109.10145	74.2
111.08027	3.2
119.08604	3.6
123.11720	3.8
137.09587	2.5
137.13202	2.5
145.80229	1.1
155.10728	1.8
173.11732	25.0
239.23616	7.3
246.51680	1.5
294.99033	1.3
363.70334	1.4
467.37329	75.7
468.37753	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	467.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.05504	12.0
56.34468	1.0
56.51008	0.9
57.03428	2.0
57.07071	35.1
59.04992	3.9
65.03933	2.0
67.05497	100.0
69.03416	0.9
69.07059	10.0
70.47744	2.0
71.04982	3.0
71.08624	24.6
78.51221	0.8
79.05475	2.9
80.46136	0.8
81.07047	25.4
83.08612	14.8
85.06532	2.6
85.10176	13.3
91.05470	6.6
92.17796	0.8
93.07025	2.5
95.08598	22.6
97.10160	4.9
99.08082	1.1
107.08575	1.9
108.87218	0.7
109.10146	73.2
111.08025	2.0
114.54300	0.8
119.08556	5.1
123.11691	3.9
125.13245	1.5
137.09648	2.9
137.13211	2.4
137.21722	1.0
151.07414	1.0
151.14755	0.9
155.10645	3.2
165.16370	1.1
173.11720	27.9
173.13182	1.8
239.23682	9.0
448.44220	1.2
467.37283	84.6
468.37561	2.4
483.00012	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	13.9
57.03416	2.4
57.07071	38.7
57.85083	1.4
58.07418	1.6
59.04993	3.0
59.31631	1.5
65.03923	3.6
67.05498	100.0
69.07053	10.8
71.04972	4.3
71.08626	28.3
71.13573	4.1
79.05475	3.6
81.07048	27.4
83.08609	18.1
85.06532	1.9
85.10172	12.5
89.06033	2.6
91.05473	8.6
93.07038	4.6
95.08599	28.8
97.10174	7.0
107.08613	3.2
109.10143	82.5
111.08106	3.4
111.11711	1.7
119.08556	3.8
123.11696	4.2
125.13264	1.5
133.10146	1.8
137.09607	3.4
155.10632	4.4
173.11719	30.2
239.23637	8.2
294.68787	1.6
321.17313	1.6
467.37311	85.2
468.37375	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	468.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18762	1.2
53.03951	2.2
55.01863	8.2
55.05503	15.9
57.03426	20.7
57.07061	16.4
59.04989	1.9
61.02915	16.3
65.22686	1.2
67.05491	3.9
68.03498	1.1
69.03036	2.3
69.03419	42.7
69.07056	22.3
70.03740	1.4
70.56363	1.7
70.56711	4.6
71.01357	5.8
71.05003	2.1
71.08618	4.2
73.02907	83.6
79.05463	1.6
81.03415	11.2
81.07044	14.5
82.02295	1.2
82.07401	2.2
83.04984	2.5
83.08234	0.7
83.08609	55.1
85.02895	100.0
85.06541	3.0
87.04457	4.9
91.03949	3.3
91.05467	2.6
93.07022	6.3
95.04972	2.6
95.08602	11.0
96.08939	1.6
97.02882	64.7
97.10152	8.9
99.04462	6.0
99.08064	2.8
99.84737	1.5
103.03953	4.7
105.07036	4.8
107.08591	5.7
108.08916	1.4
109.02847	9.3
109.10165	5.2
110.10516	1.5
111.04425	1.8
111.08070	2.2
115.03917	29.5
119.08575	4.1
119.83342	1.2
121.06482	1.9
121.10162	4.0
122.10431	1.7
123.04431	1.2
123.11713	3.2
127.03899	26.1
131.08595	2.2
132.06564	1.6
133.04947	36.2
133.10136	2.7
135.11684	3.1
137.05920	1.4
137.13161	1.4
145.04935	36.6
145.05997	2.2
147.11699	1.9
149.13226	2.1
150.07639	3.6
151.03970	1.6
157.15857	43.5
157.17101	2.3
161.13205	2.4
163.05988	13.4
163.14848	3.6
193.05009	2.5
199.05963	1.8
217.07121	2.1
223.05968	8.3
235.16913	6.3
241.07034	9.6
253.17944	3.6
259.08118	9.0
283.19095	3.2
295.10190	2.1
306.25162	2.7
488.73282	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18762	1.2
53.03951	2.2
55.01863	8.2
55.05503	15.9
57.03426	20.7
57.07061	16.4
59.04989	1.9
61.02915	16.3
65.22686	1.2
67.05491	3.9
68.03498	1.1
69.03036	2.3
69.03419	42.7
69.07056	22.3
70.03740	1.4
70.56363	1.7
70.56711	4.6
71.01357	5.8
71.05003	2.1
71.08618	4.2
73.02907	83.6
79.05463	1.6
81.03415	11.2
81.07044	14.5
82.02295	1.2
82.07401	2.2
83.04984	2.5
83.08234	0.7
83.08609	55.1
85.02895	100.0
85.06541	3.0
87.04457	4.9
91.03949	3.3
91.05467	2.6
93.07022	6.3
95.04972	2.6
95.08602	11.0
96.08939	1.6
97.02882	64.7
97.10152	8.9
99.04462	6.0
99.08064	2.8
99.84737	1.5
103.03953	4.7
105.07036	4.8
107.08591	5.7
108.08916	1.4
109.02847	9.3
109.10165	5.2
110.10516	1.5
111.04425	1.8
111.08070	2.2
115.03917	29.5
119.08575	4.1
119.83342	1.2
121.06482	1.9
121.10162	4.0
122.10431	1.7
123.04431	1.2
123.11713	3.2
127.03899	26.1
131.08595	2.2
132.06564	1.6
133.04947	36.2
133.10136	2.7
135.11684	3.1
137.05920	1.4
137.13161	1.4
145.04935	36.6
145.05997	2.2
147.11699	1.9
149.13226	2.1
150.07639	3.6
151.03970	1.6
157.15857	43.5
157.17101	2.3
161.13205	2.4
163.05988	13.4
163.14848	3.6
193.05009	2.5
199.05963	1.8
217.07121	2.1
223.05968	8.3
235.16913	6.3
241.07034	9.6
253.17944	3.6
259.08118	9.0
283.19095	3.2
295.10190	2.1
306.25162	2.7
488.73282	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.0
63.02377	0.8
65.03932	1.1
69.07073	0.4
70.29064	0.4
70.29409	1.5
78.04728	0.4
79.05441	0.3
81.07035	0.8
83.04990	1.1
85.43987	0.3
89.03913	9.6
90.52554	0.3
91.05473	7.6
95.04951	0.4
95.08587	0.4
103.06548	0.3
106.04150	0.6
107.08633	0.4
111.04436	10.4
117.03369	28.2
118.03692	0.4
119.04935	12.5
121.06478	0.4
121.44268	0.3
134.03639	1.9
135.04398	1.9
145.02834	62.5
146.03210	1.0
147.04395	40.3
148.04662	0.8
149.05978	8.4
163.03931	0.8
177.05453	100.0
178.05763	2.2
185.60561	0.4
186.05489	2.5
207.65956	0.3
225.46524	0.3
233.08095	0.5
272.30554	0.4
287.09085	2.6
288.09402	0.3
388.56110	0.4
407.97531	0.4
451.20648	0.4
469.14606	1.4
477.53317	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
60.22835	0.6
60.74236	0.6
63.02354	0.6
63.76643	0.6
65.75652	0.6
71.32293	0.9
71.79458	0.6
78.04669	0.9
81.07032	2.1
85.06496	0.6
89.03913	8.8
91.05476	6.1
93.07021	1.0
95.04964	0.6
95.08595	1.4
103.63287	0.5
106.04131	0.7
109.10149	0.7
111.04427	8.9
115.77222	0.6
117.03372	22.7
119.04929	9.9
119.08519	0.6
121.06505	0.6
122.57961	0.6
134.03616	2.5
135.04391	2.0
145.02834	53.0
146.03197	0.8
147.04399	30.6
148.04671	0.8
148.50739	0.6
149.05972	6.8
163.03903	1.2
177.05453	100.0
178.05801	1.5
186.05458	2.7
199.29115	0.6
225.84930	0.6
287.09106	2.2
463.25305	0.6
469.14944	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.204
Annotation	Trp Thr Tyr
Peak:m/z	Relative Intensity
53.93614	0.3
55.05492	0.9
56.19906	0.3
57.03416	0.3
58.06177	0.3
61.02917	0.4
67.05495	0.8
68.99819	0.3
69.03422	0.7
69.07037	1.1
70.19645	1.5
79.05473	1.0
81.03396	0.8
81.07053	2.0
83.04976	0.4
85.02891	1.3
85.06518	0.5
89.64691	0.4
90.34264	0.4
91.05470	1.2
93.07019	2.3
95.04954	0.6
95.08605	1.9
97.02859	0.4
97.06528	0.5
97.10102	0.3
105.07024	1.2
107.08583	2.4
109.02883	0.5
109.06483	0.5
109.10142	1.5
111.08018	0.3
119.04984	0.4
119.08559	1.0
121.02806	0.4
121.10113	1.2
123.04417	1.5
127.03920	0.7
131.08580	0.4
135.11702	0.8
137.05945	1.9
137.13153	0.4
139.20984	0.3
141.05403	0.5
141.21498	0.4
145.10085	0.5
147.04338	0.6
147.11693	0.5
151.03900	0.4
159.11626	0.7
161.13185	0.4
163.03854	0.9
165.05447	0.5
201.03696	0.5
275.07339	0.5
299.09091	1.2
301.84933	0.4
307.26266	1.3
333.07874	9.2
335.09442	1.4
337.16174	1.4
469.20361	100.0
470.20688	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	469.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59179	0.5
53.03933	1.2
55.01866	0.6
55.05515	2.5
57.03430	0.7
57.07054	1.0
67.05499	2.4
68.14215	0.5
69.03422	1.8
69.07050	2.2
71.04983	0.7
71.52668	0.7
72.56454	0.5
73.02896	0.5
79.05479	2.6
81.03396	1.9
81.07055	7.4
83.04988	0.9
83.08614	0.8
85.02895	1.3
85.06519	1.0
91.05486	2.3
93.07021	4.8
95.04983	1.3
95.08605	5.8
97.02888	1.0
97.06543	1.7
97.10156	1.1
99.04446	0.7
105.07021	2.0
107.08604	4.3
108.08842	0.6
109.02881	0.8
109.06519	1.4
109.10149	3.5
111.04427	0.8
111.08067	1.1
111.11684	0.6
117.07014	0.6
119.04922	1.1
119.08575	2.1
121.06490	1.2
121.10152	3.2
123.04427	4.5
123.08068	0.5
123.11684	1.4
125.09595	0.8
127.03916	1.0
131.08540	1.0
133.06451	0.6
133.10089	1.4
134.12312	0.5
135.04408	0.5
135.08032	0.5
135.11649	0.9
137.05969	4.6
137.09610	1.2
137.13245	0.9
139.11179	0.7
141.05438	0.8
145.10126	1.0
147.04437	2.9
147.11662	0.8
149.09566	1.3
149.13318	0.8
151.03891	1.0
157.10098	1.0
159.11639	1.1
161.05991	1.1
161.13307	0.6
163.03888	3.3
165.05493	1.6
167.17294	0.5
169.06454	0.6
173.13252	0.7
177.05486	0.8
179.07027	0.5
191.17920	0.5
193.04932	0.7
217.08600	0.5
267.06607	0.9
299.09213	3.4
317.10217	1.0
333.07864	5.2
335.09583	1.1
337.16238	0.6
414.06055	0.6
451.13574	1.0
469.20404	100.0
470.20685	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	469.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.2
53.78149	1.9
55.01859	5.2
55.05504	27.8
57.03421	5.6
57.07077	9.3
57.07314	1.6
61.02909	3.1
63.95637	1.7
67.05499	36.2
68.88942	1.9
69.03421	21.8
69.07058	41.1
69.70149	4.7
69.70565	8.0
71.01337	1.9
71.04989	4.2
71.08603	3.1
73.02895	7.7
79.05482	23.1
81.03403	18.9
81.07047	94.3
83.04944	5.3
83.08606	19.9
85.02891	18.6
85.06532	7.4
86.03223	2.7
87.04477	3.1
91.05463	17.2
93.07034	48.2
93.07629	2.6
95.04945	8.6
95.08597	100.0
97.02888	15.9
97.06510	6.7
97.10149	19.8
98.20749	2.1
99.04413	3.8
99.08080	7.3
105.07026	23.4
107.04945	2.4
107.08582	46.4
109.02849	6.2
109.06501	8.5
109.10145	54.1
111.04449	6.6
111.08089	10.6
111.11703	5.7
115.03896	5.3
117.03361	1.9
117.07011	4.6
119.08575	21.0
121.10138	31.4
123.04393	4.4
123.08047	3.5
123.11682	29.1
125.09583	9.2
127.03899	11.0
129.05464	4.0
129.06973	3.3
131.08540	7.6
133.04968	2.1
133.10112	15.0
135.08063	4.6
135.11674	19.1
137.05940	7.5
137.09607	5.1
137.13176	9.8
139.11186	7.5
143.08560	5.0
145.04947	2.9
145.10092	11.8
147.08022	2.9
147.11688	15.6
149.05959	2.1
149.09613	3.3
149.13237	25.9
151.11203	5.1
151.14804	12.3
153.09102	2.0
155.08487	2.7
157.10146	3.4
157.15826	2.7
159.07974	2.6
159.11653	10.1
161.09534	4.0
161.13200	11.7
163.11145	4.3
163.14742	9.8
165.09082	3.3
165.12737	3.8
165.16400	2.6
169.10060	2.9
171.11659	2.8
173.13261	5.7
175.14861	7.6
177.05522	2.0
177.12791	2.1
177.16373	3.5
179.14334	3.5
185.13222	2.4
187.14842	5.2
189.16394	5.6
191.10693	1.9
191.14233	2.8
191.17940	6.1
193.15826	3.7
199.14824	2.7
201.16365	4.3
207.17519	3.1
213.16397	2.0
215.17876	3.8
233.19203	2.1
271.24261	2.8
277.25131	2.2
287.23712	3.3
289.25131	13.4
291.26736	2.7
305.24594	5.3
307.26233	7.9
319.26187	2.1
331.26227	3.3
355.26263	2.1
397.27371	7.6
415.28250	14.1
433.29449	15.1
451.30521	16.6
469.31488	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	469.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83052	2.3
50.86695	2.0
53.03924	5.4
55.01856	4.9
55.05509	25.8
57.03425	6.4
57.07062	5.7
57.63836	2.2
58.20200	2.7
58.65063	2.2
67.05498	33.2
69.03415	16.9
69.07060	37.7
69.51490	7.1
69.51920	12.4
71.04971	3.5
73.02911	2.7
73.71030	2.5
76.59019	2.4
78.73889	2.0
79.05472	18.6
81.03409	16.5
81.07045	99.9
83.04958	6.8
83.08605	12.6
85.02894	13.9
85.06532	10.5
91.05470	14.9
91.78562	2.1
93.07038	40.1
95.04971	8.5
95.08592	100.0
97.02875	9.5
97.06534	7.5
97.10171	14.9
99.04458	5.4
99.08093	5.3
105.07026	26.8
107.04983	3.0
107.08585	44.0
109.02893	4.9
109.06509	3.2
109.10143	52.5
111.04448	4.3
111.08101	14.5
111.11707	6.4
113.09641	2.4
115.03905	4.0
117.07005	5.2
119.08538	24.4
121.06508	2.5
121.10136	27.2
123.11694	32.1
125.09611	7.1
125.76127	2.3
127.03915	7.0
131.08549	9.7
133.10106	18.8
135.08066	3.7
135.11667	21.4
137.09526	3.6
137.13239	8.6
139.11208	6.7
141.62651	2.6
142.34721	2.4
143.08536	5.0
145.04860	2.3
145.06509	3.3
145.10107	13.3
147.08026	3.1
147.11702	17.8
149.09682	2.9
149.13234	28.9
151.11128	5.2
151.14763	13.8
157.10089	3.4
159.11687	12.3
161.09576	3.4
161.13269	12.8
163.14781	14.3
165.12746	2.8
171.11693	3.1
173.09599	2.4
173.13339	4.8
175.14832	8.4
177.16406	5.4
179.14322	2.6
183.11737	3.4
187.14789	3.6
189.16393	4.4
191.17981	8.0
193.15988	2.3
197.13275	3.0
201.16411	2.5
213.16457	3.3
215.17969	3.5
259.21545	2.2
271.24255	3.7
273.25592	2.6
287.23706	3.5
289.25290	14.0
291.26794	5.5
307.26202	4.6
317.24689	3.0
331.26392	3.5
335.25858	3.1
373.27173	3.3
384.43356	2.4
397.27124	5.5
415.28412	17.2
433.29572	19.5
451.30927	11.7
469.31561	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	470.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.05484	0.5
56.69095	0.3
57.03416	0.3
65.03905	0.3
69.03411	1.3
70.06582	0.5
70.56841	0.3
70.99554	0.4
71.04986	0.8
71.53043	0.6
72.93784	0.3
81.03419	2.1
81.07034	0.7
85.01109	1.3
85.02883	0.8
91.05475	0.4
97.02879	11.7
97.03517	0.6
99.04436	0.9
103.02146	0.4
105.07016	0.4
109.02860	1.3
112.02146	1.8
121.06536	1.5
123.04463	0.3
123.11717	0.5
127.03906	3.4
137.05864	0.3
140.01601	1.6
141.12688	0.6
147.04398	0.9
152.07092	0.3
158.02699	1.2
159.10150	0.5
159.13795	0.4
162.05470	2.4
163.03909	0.5
170.02687	7.5
184.07318	0.5
188.03745	100.0
189.04089	2.1
193.04945	0.6
219.72449	0.3
230.04803	0.9
248.59727	0.3
266.04724	0.4
290.06906	0.3
296.05933	0.4
314.06888	21.7
315.07227	0.8
332.07959	2.1
470.14624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.5
55.01859	13.7
55.05503	8.1
57.07060	8.7
61.66716	3.0
65.93452	3.0
67.05479	5.9
69.03427	14.7
69.07086	6.2
70.02936	6.8
70.06564	4.5
71.04973	12.2
71.52141	4.7
72.04510	28.6
73.02894	10.3
73.52810	2.9
81.03423	22.6
81.07032	7.6
82.91939	2.9
83.04955	14.3
85.02890	11.7
85.06536	5.8
86.09666	6.9
87.08098	3.5
90.05548	44.6
95.04954	11.1
97.02903	17.2
97.06491	3.7
98.02418	21.3
99.04440	6.3
100.03969	7.9
103.07554	4.9
109.02869	28.2
111.04419	4.6
113.05987	6.9
116.03451	25.2
117.03353	4.2
117.05458	3.1
123.04404	8.7
123.11622	3.4
124.07589	30.6
127.03921	21.0
130.08571	3.3
132.06544	9.8
132.10205	3.5
135.04385	9.2
136.04720	4.0
137.05910	2.7
138.05495	7.1
139.03874	10.6
142.08621	19.8
145.02806	5.6
145.04955	7.4
147.04376	7.0
160.09615	6.4
163.03894	37.4
164.04224	10.7
166.08633	6.6
167.03273	3.4
169.04991	4.7
169.12190	10.8
172.09689	4.6
174.05598	2.6
174.11230	3.6
177.05508	3.1
180.06601	4.0
181.04817	3.0
184.09694	36.5
190.03294	3.2
198.07703	3.4
199.05966	4.0
202.10712	100.0
203.11304	4.9
211.09644	11.5
216.08701	5.4
217.07082	5.1
220.11781	23.3
230.10182	13.0
234.09644	10.7
234.96936	2.9
253.98378	5.0
262.12817	20.8
272.13214	5.0
287.11194	4.5
291.08447	3.6
308.15155	7.8
310.12811	8.9
315.20920	3.0
328.13824	64.0
346.14859	13.4
364.15945	26.3
410.02228	4.2
411.02148	6.6
434.20193	4.3
452.20953	3.6
477.52643	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	470.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01873	10.4
55.05511	3.7
56.49766	1.9
57.07074	6.0
60.04513	1.9
64.17307	2.3
67.05490	5.3
68.04137	2.2
68.62514	2.1
69.03413	10.6
69.07051	8.6
70.02949	7.4
70.12699	4.3
70.13086	5.9
71.04985	6.2
72.04509	20.0
73.02905	10.8
75.49048	2.0
81.03413	25.2
83.04958	8.7
84.04489	2.4
85.02872	13.5
85.06524	7.0
86.09677	3.8
87.08113	2.2
88.07645	2.4
89.06035	2.6
90.05544	46.3
95.04955	9.6
97.02864	16.0
98.02402	17.4
99.04426	5.8
99.08086	2.7
100.03948	6.8
103.07600	4.1
109.02868	31.7
111.04430	4.0
112.07627	3.1
113.05981	5.5
116.03437	22.6
117.05544	2.3
120.04500	2.3
123.04428	16.7
124.07569	26.7
127.03927	18.1
132.06551	9.6
137.05984	3.5
139.03882	22.6
141.09135	2.4
142.08623	15.7
145.04976	6.9
147.04387	16.9
151.03978	3.2
156.10213	2.7
160.09660	6.2
163.03864	8.2
164.04219	3.9
165.05484	2.9
166.08623	6.7
172.09709	5.9
174.11258	4.9
177.05458	3.2
181.04987	6.7
184.09666	30.7
186.05869	3.6
190.03395	3.4
193.08629	3.2
198.07669	2.7
199.06046	8.3
202.10730	100.0
203.11391	3.5
204.00581	2.2
211.09602	9.7
216.08600	4.6
217.07150	3.8
220.11778	26.5
230.10207	9.3
234.09608	11.3
262.12836	20.3
272.13071	8.9
287.11319	4.4
291.08572	6.7
308.15332	8.7
310.12833	8.0
328.13849	53.9
346.15012	12.5
364.15936	25.7
370.57285	2.6
441.47006	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	470.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.3
55.05490	1.4
57.03431	15.3
57.07052	1.0
59.04984	1.9
61.02919	16.1
67.05492	1.8
69.03423	35.9
69.07048	2.3
69.44337	8.5
71.01333	4.2
71.04971	2.0
73.02909	62.5
73.91202	0.9
79.05487	2.7
81.03416	6.5
81.07051	5.0
82.07365	1.9
85.02896	100.0
87.04446	3.9
89.81344	1.0
91.03955	5.9
91.05477	2.0
93.07038	3.0
95.08600	7.1
96.04447	1.4
96.08911	1.9
96.49498	1.0
97.02882	50.9
99.04431	3.4
102.70243	0.9
103.03941	2.2
105.07001	1.7
107.08590	2.6
109.02869	8.4
109.10133	2.9
111.08073	1.3
115.03917	25.3
123.11611	1.1
127.03901	28.8
132.06564	1.3
133.04947	29.0
133.10185	1.3
137.05963	1.8
145.04945	47.9
147.11615	1.0
147.94420	0.9
150.07607	1.9
163.06000	13.6
163.07378	1.3
163.14705	1.3
165.09056	2.3
177.16472	1.0
193.04936	1.6
199.05902	1.0
201.43776	0.9
223.05974	4.0
241.07074	4.9
259.08127	4.4
277.09094	1.4
304.42972	1.1
362.96201	1.0
370.90601	1.2
416.28235	1.0
451.76059	1.1
471.19739	6.6
471.25839	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2198
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
53.03940	0.3
55.05520	0.6
67.05486	1.1
69.03415	0.8
69.07050	1.0
69.37785	0.6
69.38187	1.6
72.72691	0.3
79.05480	0.7
81.03419	0.5
81.07054	1.8
83.04955	0.6
85.02866	0.5
85.06525	0.6
91.05473	0.7
93.07038	1.2
95.04935	0.4
95.08620	1.8
97.10141	0.7
98.53525	0.3
105.07008	0.9
107.08568	1.2
109.06474	0.4
109.10163	1.3
119.08576	0.9
121.06496	0.3
121.10123	0.8
123.11726	0.6
125.09648	0.4
126.92204	0.3
127.03896	0.8
128.33304	0.3
133.10110	0.7
135.08128	0.3
135.11708	0.4
137.05957	1.1
137.09642	0.6
145.10170	0.7
147.04309	0.4
147.11668	0.6
151.07516	0.3
151.11177	0.4
156.25278	0.3
160.68796	0.3
161.06033	0.5
163.11136	0.3
165.09103	4.0
187.07491	0.4
199.14783	0.3
205.12193	0.4
207.09833	0.3
209.15355	0.6
219.51433	0.3
221.05072	0.7
229.08536	0.3
257.08276	0.3
265.08658	0.3
265.52985	0.3
275.07297	0.5
303.05124	0.5
321.10971	0.4
333.07718	0.7
335.09427	1.0
339.17706	2.1
436.95963	0.3
471.21951	100.0
472.22354	5.1
496.94391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04914	0.4
53.03923	0.6
55.05503	2.5
55.13599	0.4
57.03429	0.5
57.07055	0.9
67.05491	2.7
69.03410	1.4
69.06779	0.3
69.07059	3.5
69.69540	2.4
79.05479	1.3
81.03406	0.9
81.07035	5.7
81.58891	0.3
83.04979	2.5
83.08591	0.9
85.02884	2.2
85.06533	0.7
91.05457	1.1
93.07030	2.5
95.04928	0.9
95.08593	4.6
97.02856	0.9
97.06514	0.9
97.10149	1.2
99.04395	0.4
105.07040	1.8
107.08591	3.0
109.02865	0.9
109.06479	0.9
109.10139	3.3
111.08089	1.1
111.11719	0.4
119.08558	1.6
121.10124	2.3
123.04416	0.4
123.07982	0.6
123.11694	2.2
125.09620	0.6
127.03896	0.8
131.04945	0.5
131.08517	0.5
132.39908	0.3
133.10127	1.3
135.11676	1.5
136.68663	0.4
137.05943	1.6
137.09579	0.5
137.13223	0.8
139.11162	1.3
145.10101	0.8
147.04425	0.9
147.11659	0.8
149.09561	0.6
149.13275	0.8
151.07538	0.5
151.11134	0.7
153.12636	0.5
155.08658	0.4
157.39355	0.4
159.11696	0.7
161.05943	0.6
161.13216	0.5
163.07379	0.4
163.11168	0.4
163.14807	0.5
165.05522	0.5
165.09093	2.4
165.12787	0.5
173.13226	0.7
175.07541	0.4
177.05424	0.6
177.16449	0.5
191.14334	0.7
193.19499	0.4
201.16389	0.6
209.61952	0.4
221.86519	0.4
274.16406	0.5
291.19382	0.4
291.23483	0.8
291.26746	5.5
309.27911	1.0
339.17618	1.0
341.48566	0.4
351.11954	0.5
355.17154	1.1
471.21924	100.0
472.22299	3.2
481.58716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02143	0.4
53.63610	0.4
55.01863	0.5
55.05495	2.0
55.92961	0.4
57.01919	0.4
57.03428	0.9
67.05494	2.5
69.03401	1.5
69.07065	2.5
69.27123	4.1
69.27547	0.9
71.04979	0.4
79.05474	1.6
81.03403	1.5
81.07050	6.1
83.04951	1.3
83.08602	1.0
85.02907	2.5
85.06525	1.0
91.05461	1.7
93.07030	2.0
95.04952	1.4
95.08593	4.0
97.02875	1.3
97.06510	0.7
97.10146	0.9
99.08089	0.7
101.06031	0.5
105.07003	1.7
107.04906	0.5
107.08582	2.9
109.02863	1.2
109.06543	0.9
109.10162	2.4
111.08083	0.6
111.11734	0.6
117.07029	0.5
119.04916	0.6
119.08578	1.4
121.06480	0.9
121.10119	1.5
123.04361	0.7
123.08022	1.0
123.11684	1.4
125.05974	0.5
125.09560	0.5
127.03882	1.7
131.04861	0.5
131.08530	1.2
133.10100	1.7
135.04379	0.5
135.08032	0.8
135.11661	1.2
137.05995	2.1
137.09618	1.1
139.03847	0.4
139.11095	0.5
141.05479	0.5
142.04294	0.4
145.10095	0.9
147.04390	3.1
147.11610	1.0
149.09599	1.0
149.13197	0.8
151.03964	1.2
151.07457	1.1
151.11139	1.1
161.05954	0.9
161.09627	0.5
161.13213	0.6
163.03888	0.4
163.11215	0.5
163.14764	0.8
165.05486	0.5
165.09129	2.7
165.12752	1.1
167.07047	0.7
169.06409	0.4
175.07550	0.5
189.09073	0.7
199.14714	0.5
203.05266	0.8
203.06989	0.5
209.15349	2.3
215.14047	0.4
222.06624	0.5
265.08542	0.7
275.07260	0.9
291.26758	0.6
297.11151	0.7
309.11392	0.7
309.16928	0.5
317.08356	1.5
333.07840	4.3
335.09454	7.0
339.17480	1.1
365.40091	0.5
471.21893	100.0
472.22156	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	471.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25753	4.4
53.03947	6.5
54.79981	4.8
55.01866	4.6
55.05510	34.1
57.03444	6.0
57.07076	11.2
57.36214	4.2
61.02945	5.3
61.06573	4.0
62.65068	4.4
63.20269	4.3
65.02277	4.7
66.57072	4.5
67.05508	38.8
69.03432	29.4
69.07071	62.9
71.08624	7.4
71.26664	4.1
71.52672	7.6
79.05488	25.2
79.19283	4.2
81.03412	16.2
81.07051	100.0
82.15331	4.9
83.04971	26.8
83.08626	27.2
85.02904	51.7
85.06528	11.8
91.05470	25.1
93.07034	54.2
95.04980	15.5
95.08610	82.7
97.02915	21.6
97.06520	8.1
97.10155	18.5
99.04464	12.5
99.08104	8.0
105.07034	31.6
107.04987	5.6
107.08577	33.5
109.02872	14.2
109.06520	10.4
109.10156	62.9
111.08078	13.0
111.11723	15.1
117.07010	7.4
119.04957	4.3
119.08568	28.1
121.06519	10.0
121.10137	32.3
123.08037	7.2
123.11691	23.9
125.09611	7.0
127.03933	16.9
127.11241	4.0
131.08595	8.6
133.10120	16.4
135.07990	6.5
135.11670	25.5
137.05988	19.4
137.09613	11.1
137.13228	13.5
139.11134	7.9
143.10732	4.5
145.04958	5.8
147.04428	10.0
147.11676	13.0
149.13281	25.0
151.07570	6.4
151.11156	4.9
157.10138	5.9
161.05978	7.0
161.13217	7.9
163.07552	5.8
163.14832	14.4
165.09131	25.1
171.11713	8.4
173.13293	9.7
177.05511	6.3
177.16409	7.0
189.09106	4.5
205.15874	27.4
247.16833	7.9
250.41182	6.0
273.25888	10.0
279.26788	6.8
291.23764	7.7
291.26666	27.3
309.11230	4.4
309.27835	62.5
399.29099	7.1
405.30194	5.4
417.29895	11.2
435.31384	6.7
471.33136	7.7
493.27255	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	471.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25753	4.4
53.03947	6.5
54.79981	4.8
55.01866	4.6
55.05510	34.1
57.03444	6.0
57.07076	11.2
57.36214	4.2
61.02945	5.3
61.06573	4.0
62.65068	4.4
63.20269	4.3
65.02277	4.7
66.57072	4.5
67.05508	38.8
69.03432	29.4
69.07071	62.9
71.08624	7.4
71.26664	4.1
71.52672	7.6
79.05488	25.2
79.19283	4.2
81.03412	16.2
81.07051	100.0
82.15331	4.9
83.04971	26.8
83.08626	27.2
85.02904	51.7
85.06528	11.8
91.05470	25.1
93.07034	54.2
95.04980	15.5
95.08610	82.7
97.02915	21.6
97.06520	8.1
97.10155	18.5
99.04464	12.5
99.08104	8.0
105.07034	31.6
107.04987	5.6
107.08577	33.5
109.02872	14.2
109.06520	10.4
109.10156	62.9
111.08078	13.0
111.11723	15.1
117.07010	7.4
119.04957	4.3
119.08568	28.1
121.06519	10.0
121.10137	32.3
123.08037	7.2
123.11691	23.9
125.09611	7.0
127.03933	16.9
127.11241	4.0
131.08595	8.6
133.10120	16.4
135.07990	6.5
135.11670	25.5
137.05988	19.4
137.09613	11.1
137.13228	13.5
139.11134	7.9
143.10732	4.5
145.04958	5.8
147.04428	10.0
147.11676	13.0
149.13281	25.0
151.07570	6.4
151.11156	4.9
157.10138	5.9
161.05978	7.0
161.13217	7.9
163.07552	5.8
163.14832	14.4
165.09131	25.1
171.11713	8.4
173.13293	9.7
177.05511	6.3
177.16409	7.0
189.09106	4.5
205.15874	27.4
247.16833	7.9
250.41182	6.0
273.25888	10.0
279.26788	6.8
291.23764	7.7
291.26666	27.3
309.11230	4.4
309.27835	62.5
399.29099	7.1
405.30194	5.4
417.29895	11.2
435.31384	6.7
471.33136	7.7
493.27255	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	472.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01850	0.3
55.05481	0.4
58.06576	0.3
69.03402	1.2
69.20969	3.1
70.99602	0.4
71.04977	0.5
81.03418	2.4
82.33374	0.3
85.01119	2.1
85.02889	1.6
91.05476	0.3
97.02882	8.3
99.04436	0.5
103.03944	0.4
103.05461	0.4
107.04930	0.7
109.02872	1.8
110.75644	0.3
112.02155	2.3
115.05472	0.3
119.05019	0.3
121.06440	0.6
123.04411	1.3
126.03093	0.3
127.03928	2.2
137.05946	0.8
140.01654	1.7
141.05438	10.7
144.04750	0.6
147.04410	0.9
151.03969	0.5
151.73923	0.3
153.05446	0.9
157.01894	0.4
158.02701	1.0
165.05438	1.4
170.02669	6.8
175.07533	0.3
175.88704	0.3
177.05457	1.3
178.05754	0.4
179.03223	0.3
179.07057	0.3
183.06490	0.4
188.03741	100.0
189.04047	3.2
190.03163	2.4
191.07005	0.6
193.04965	0.3
203.06987	1.4
205.05057	0.4
207.06516	0.8
219.06548	0.4
230.04741	2.6
231.06544	3.7
237.02779	0.3
249.07628	1.5
290.06882	6.9
291.07437	0.3
314.06897	10.7
316.06833	0.6
332.07953	4.0
436.10678	0.4
454.11612	0.6
472.21713	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01865	0.4
55.05503	0.3
57.03419	0.4
65.03925	0.4
65.53423	0.3
67.05488	0.3
69.03434	1.6
69.07053	0.3
69.23362	3.4
70.06593	0.4
70.99580	0.3
71.04987	0.4
71.80587	0.3
72.54537	0.3
73.02908	0.3
77.78171	0.3
80.05008	0.4
81.03410	1.7
81.07004	0.3
83.04990	0.6
85.01145	1.6
85.01569	0.3
85.02897	1.9
86.09700	0.5
91.05482	0.7
93.07037	0.6
97.02884	11.7
99.04437	0.8
103.02153	0.5
105.07019	0.5
109.02869	2.1
111.04480	0.4
112.02172	2.0
119.04928	0.4
123.04388	0.6
124.36034	0.3
127.03899	3.1
133.02840	0.5
134.05994	0.4
137.05949	0.7
140.01590	1.6
144.04771	0.5
145.02863	0.9
145.04964	0.5
146.06082	0.3
147.04434	0.6
149.06010	0.6
154.08624	1.4
157.01930	0.8
158.02686	1.1
170.02689	8.1
177.05482	2.6
184.67422	0.3
188.03752	100.0
189.04082	1.9
203.07059	0.4
224.06403	0.4
230.04848	1.1
231.06551	1.1
249.98975	0.3
290.06897	1.7
311.07013	0.5
314.06915	17.0
315.07291	0.8
332.07980	0.8
340.05429	0.5
386.78638	0.4
472.19495	0.9
472.36185	0.5
473.20313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.7
54.31767	2.8
55.01854	11.5
55.05503	12.7
57.03424	3.5
57.07063	3.0
63.02443	2.7
65.03917	4.1
65.11007	2.1
67.05499	65.7
69.07063	22.4
71.04984	12.7
71.26560	7.2
74.35362	2.4
79.05488	100.0
81.03428	13.1
81.07050	88.1
83.04970	10.6
83.08608	8.3
84.43755	2.9
85.02898	12.7
85.06522	3.1
91.05476	71.7
93.07040	79.8
95.04964	26.0
95.08601	91.0
97.02871	3.8
97.06524	34.7
105.07026	64.7
106.07304	2.8
107.04961	18.0
107.08576	43.3
109.06512	4.5
109.10145	21.6
111.04431	14.8
113.05994	10.9
113.09673	5.5
117.07018	13.9
119.08566	65.0
121.06507	6.6
121.10130	37.3
123.04409	3.2
123.08052	10.3
123.11683	9.3
125.05989	69.2
129.05482	5.7
129.06987	9.9
131.08554	25.5
133.06503	5.3
133.10118	53.0
135.08028	6.3
135.11702	35.0
137.09602	5.5
137.13239	27.6
139.07513	4.4
139.11127	6.3
141.06969	6.4
143.07027	99.3
143.08298	4.8
143.08565	5.7
145.08391	2.7
145.10129	24.7
147.08032	9.8
147.11691	23.9
149.09596	5.3
149.13234	5.4
151.07509	18.5
151.14787	3.6
153.09129	2.7
153.22981	2.5
155.08521	5.9
157.10133	5.1
159.08096	2.8
159.11655	13.1
161.09586	4.5
161.13229	29.7
165.09073	7.1
167.10626	2.8
169.08600	31.2
169.10127	8.9
171.11642	7.6
173.09566	4.5
173.13268	17.1
175.11191	4.7
175.14809	48.7
176.15126	3.1
177.09094	4.3
177.16393	17.2
179.10716	5.6
179.14246	3.4
181.12291	4.2
183.10153	14.6
183.11667	7.4
187.11205	7.0
187.14798	6.8
189.12752	2.7
191.10652	6.4
193.12239	7.6
197.13202	4.0
205.12305	4.8
209.11710	3.2
211.14967	2.8
213.16371	7.3
215.17958	34.0
216.18224	3.0
219.13817	5.5
229.15843	9.1
229.19476	3.0
239.17981	17.3
247.20546	3.7
257.18976	22.0
275.20050	55.1
287.12689	3.2
293.21115	9.9
471.98221	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	472.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	14.8
55.05494	21.2
55.05750	6.6
67.05499	62.8
69.07064	15.3
70.65227	16.6
79.05480	74.1
81.03398	10.9
81.07037	65.8
83.04971	8.5
83.08607	7.2
85.02903	7.0
91.05466	90.2
93.07031	100.0
95.04932	9.8
95.08605	35.8
105.07019	76.4
107.08582	43.3
109.10164	16.3
117.07014	24.9
119.08578	69.6
121.06495	6.3
121.10123	34.7
129.06999	21.6
131.08539	36.8
133.10110	79.9
135.11700	56.2
141.06975	7.1
143.08551	13.8
145.10126	24.7
146.63554	6.2
147.11652	34.4
149.13206	9.2
155.08621	10.8
157.10176	9.9
159.11659	30.3
161.13252	36.5
161.33873	5.4
167.10576	6.6
169.10135	8.0
171.11661	15.9
173.13251	18.0
175.14825	18.0
183.11711	22.4
187.11209	6.9
193.12180	9.3
197.13254	14.4
211.14856	10.5
215.17917	26.8
229.15923	7.2
239.17949	39.7
257.18964	14.4
275.19992	62.8
450.65601	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	473.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90965	1.3
53.03941	12.6
55.01879	7.6
55.05503	26.8
57.03432	3.4
65.03928	4.1
67.05496	52.9
69.03423	5.1
69.06787	1.4
69.07066	16.3
71.04983	3.7
71.53342	3.3
73.06541	2.1
79.05486	79.8
81.03411	100.0
81.07044	57.3
81.07525	2.6
81.39275	1.7
83.04971	12.7
83.08611	24.5
85.02921	3.5
85.06532	3.1
91.04897	3.4
91.05470	69.4
93.07035	60.7
93.07635	2.7
95.04958	42.9
95.08052	2.7
95.08601	30.3
97.02882	5.1
97.06512	5.6
97.10157	6.3
103.05423	3.6
105.04404	1.8
105.07021	51.4
107.04948	14.1
107.08578	20.0
109.06547	7.8
109.10162	12.8
111.08060	7.3
115.05449	4.3
117.07024	12.5
119.04943	1.6
119.07714	2.1
119.08565	36.7
121.06477	7.4
121.10121	13.3
123.08051	6.3
123.11680	3.8
125.09621	4.5
128.06215	7.2
129.06984	26.0
131.04936	3.5
131.08551	14.9
133.06450	3.9
133.10115	17.5
135.08034	3.2
135.11674	5.6
137.05957	3.6
137.09608	5.2
137.13190	1.9
141.09077	2.3
142.07758	4.9
143.08537	10.3
145.06467	2.6
145.10095	12.2
147.04361	2.4
147.08025	6.6
147.11673	34.3
149.05933	3.3
149.09583	7.2
151.07582	5.8
155.08525	1.7
157.10083	12.0
159.08047	2.8
159.11691	4.6
161.09619	4.5
161.13220	11.6
163.07625	1.7
163.11053	1.9
165.09108	9.4
167.07022	4.9
171.11679	23.5
175.07462	1.8
175.11223	8.1
177.05450	3.5
181.04936	3.5
183.11746	2.2
185.13242	2.7
187.11186	1.6
189.09145	2.6
189.12694	9.2
191.07059	4.4
192.07748	1.6
193.05016	1.6
193.12218	25.5
195.06619	2.1
205.08505	1.8
207.13782	19.6
225.14848	2.6
233.08075	3.6
237.65848	1.7
249.14821	4.1
267.15872	2.6
279.48083	1.7
381.24393	2.3
399.25406	2.6
402.73947	1.8
441.15781	3.2
455.27576	3.1
473.18079	3.7
473.28937	69.9
474.29416	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	473.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.3
55.01863	5.1
55.05505	27.0
57.03425	4.1
57.07072	11.4
57.92690	2.7
67.05500	27.0
69.03416	17.8
69.07059	46.9
71.04984	5.8
71.08629	5.6
71.52557	4.5
79.05464	12.7
81.03397	9.3
81.07047	100.0
83.04977	7.4
83.08606	28.0
85.02898	90.2
85.03292	1.8
85.06538	10.6
91.04890	2.2
91.05463	10.5
93.07043	23.5
95.04963	6.6
95.08598	79.1
96.08988	2.7
97.02856	16.2
97.06519	6.6
97.10154	17.8
99.04428	5.7
99.08086	16.1
100.11236	10.0
102.04655	2.8
103.03944	4.2
105.07016	13.5
107.04898	4.0
107.08585	22.8
109.02865	7.6
109.06485	3.8
109.09457	4.9
109.10149	50.6
109.10851	5.3
110.39844	2.4
111.04423	4.1
111.08073	5.7
111.11712	16.0
119.08553	9.0
121.10170	13.7
123.11685	32.4
125.13235	9.1
127.03890	18.8
129.07001	3.9
131.08563	4.9
133.10130	9.6
135.11644	15.1
137.05975	5.9
137.09618	6.5
137.13234	19.1
139.11128	3.3
139.44788	2.7
142.07765	3.2
145.04941	28.2
145.10149	2.9
147.11684	7.6
149.09676	4.1
149.13245	10.9
151.07527	8.4
151.11200	4.3
151.14778	5.8
159.11710	4.3
161.13284	4.8
163.06006	26.4
163.14803	8.1
165.09109	39.2
167.06995	3.5
173.13260	4.8
175.11111	4.1
182.15509	5.9
191.17868	3.0
209.58031	3.0
210.14760	4.8
219.10068	3.0
219.21169	5.8
265.01987	3.4
271.00818	2.8
275.27386	4.6
293.25363	3.8
293.28250	15.2
295.19760	3.2
311.02643	7.2
441.15417	3.8
443.33328	2.8
473.17365	4.5
473.26602	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	473.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.5
55.01866	4.5
55.05499	26.4
57.03440	4.3
57.07061	10.6
61.02946	3.6
65.03918	4.4
67.05492	33.3
69.03417	14.2
69.07061	50.0
69.42195	7.4
69.42614	20.9
73.02934	3.8
73.07266	3.7
75.58443	2.9
79.05483	17.2
81.03431	18.6
81.06590	5.4
81.07050	100.0
83.04979	8.5
83.08601	16.9
85.02900	25.1
85.06543	17.5
91.05477	19.6
93.07036	27.3
95.04956	12.2
95.08598	76.8
97.02876	9.4
97.06508	7.9
97.10152	18.3
99.04506	4.1
99.08060	10.1
105.07050	20.8
107.04940	8.0
107.08591	32.2
109.02872	7.6
109.06507	5.3
109.09465	5.4
109.10154	53.4
111.04411	4.9
111.08060	13.6
111.11700	7.0
117.06985	4.5
119.08569	18.3
121.06450	6.2
121.10133	22.2
123.04404	6.4
123.08029	4.7
123.11700	28.6
125.13203	4.3
127.03903	12.5
127.11176	3.7
129.05479	7.9
131.08540	10.5
133.10114	10.6
135.11652	17.3
137.05963	8.3
137.09618	10.9
137.13258	18.2
139.03842	4.4
139.11174	8.0
142.07750	3.4
143.08510	4.3
143.14340	3.9
145.06485	4.7
145.10115	6.9
147.04402	5.4
147.11653	8.7
149.05942	3.7
149.09604	6.4
149.13206	15.2
151.07541	4.2
151.14841	4.0
157.10068	5.7
159.08037	4.2
159.11667	7.6
161.09630	5.3
161.13254	6.5
163.14795	6.8
165.09111	39.0
166.09372	4.0
167.06940	5.8
173.13206	5.8
175.14847	4.4
177.05452	5.3
177.09134	6.9
177.16351	6.0
181.04977	3.8
189.09053	5.0
191.17873	4.7
203.10696	5.0
205.12244	6.0
217.32039	3.4
219.10124	5.3
266.76941	3.5
275.23553	4.1
293.24765	11.7
293.28119	5.0
295.09442	3.4
329.10089	5.2
351.12817	3.4
401.30670	8.2
441.15341	5.3
473.23575	99.4
474.23770	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	474.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90796	4.9
54.70638	4.2
55.05512	13.1
60.63820	5.0
63.37037	4.7
67.05498	77.9
69.07058	13.0
70.81426	12.6
79.05490	38.9
81.03395	4.9
81.07050	100.0
81.12110	4.4
83.08613	16.1
85.02888	5.8
91.05469	45.6
93.07043	71.7
95.04966	9.8
95.08598	61.9
102.04147	4.5
105.07012	22.6
106.72123	5.0
107.08591	48.7
109.06539	6.6
109.10139	41.3
117.07033	6.9
119.08561	20.9
121.06492	10.8
121.10144	26.2
123.11716	16.4
131.08553	16.9
133.10126	46.9
135.08014	5.9
135.11650	27.3
137.05974	8.5
137.13225	21.2
139.07495	6.0
145.10153	9.0
147.08043	6.4
147.11633	24.3
149.13246	21.9
153.09174	9.6
157.10022	7.5
159.11714	9.8
161.09653	4.9
161.13266	8.7
163.14819	9.8
165.09146	12.2
167.10692	5.1
169.73970	4.6
171.11717	10.1
175.14822	7.4
177.12714	5.4
177.16301	6.1
189.12740	5.6
193.12242	17.6
207.13852	9.9
217.19472	24.9
221.15543	7.1
230.47733	5.5
241.19472	19.3
259.20572	16.7
277.21576	75.1
295.22583	13.8
348.76672	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	474.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.2
55.05498	19.6
67.05497	100.0
69.07059	20.0
70.49142	5.0
70.56818	5.0
70.57170	16.0
70.84116	4.7
71.04996	4.9
77.32650	4.6
79.05483	76.4
81.03394	13.9
81.07046	86.4
83.04953	9.4
83.08613	10.7
85.02908	7.3
91.05476	46.2
93.07036	85.8
95.04942	23.3
95.08597	65.6
97.06524	35.5
97.10157	7.2
101.11649	4.7
105.07005	40.9
107.04938	15.2
107.08589	46.2
109.10138	20.6
111.04428	8.2
117.06997	6.8
119.08549	30.8
121.06488	13.6
121.10141	36.1
123.04408	5.4
123.11705	20.1
125.05992	53.1
129.06949	4.8
131.08572	12.6
133.10103	48.7
135.08044	7.0
135.11653	22.0
137.09618	6.3
137.13257	20.4
139.07513	5.4
141.56776	4.7
143.07022	80.9
144.44717	5.9
145.10086	7.2
147.04349	5.8
147.08054	8.4
147.11641	25.1
151.07474	8.1
157.10004	5.7
159.11681	9.1
161.13223	11.1
163.11215	4.8
163.14790	23.2
165.09126	9.0
167.10707	6.5
169.08582	6.8
171.11629	7.0
175.11198	8.6
177.16298	13.8
179.10745	6.9
184.23637	5.1
189.12685	6.2
193.12250	13.1
207.13770	8.5
217.19469	31.6
239.62354	4.5
241.19391	23.9
259.20602	13.7
277.21643	79.6
295.22644	25.8
330.04147	6.0
348.61911	6.2
496.87558	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36902	0.7
56.96560	27.5
56.96844	1.3
57.03407	1.1
61.02914	0.8
61.91730	0.8
69.03417	3.2
69.17062	0.7
70.18285	2.6
71.95254	2.5
73.02916	1.2
81.03425	1.3
83.42442	0.7
84.96021	8.0
85.02883	4.8
85.90208	0.8
87.04425	0.8
91.05441	0.7
96.31508	0.7
97.02876	3.8
97.96788	4.1
98.21477	0.7
98.97572	100.0
102.97064	1.5
105.09351	0.7
107.04952	1.0
109.02851	1.0
110.97558	14.0
112.16295	0.7
112.99094	2.2
115.97832	2.5
116.98608	72.4
119.01900	0.7
119.04907	1.7
127.03923	2.2
128.98593	28.3
128.99565	1.4
131.00142	5.0
131.37785	0.7
133.98891	1.4
134.52319	0.7
134.99644	36.5
137.05930	3.6
140.00194	2.9
140.98573	1.2
143.00162	3.8
143.01967	0.8
144.98149	1.1
145.04898	1.0
146.99622	23.5
147.04398	3.2
149.01228	3.2
153.00716	3.9
157.47620	0.8
158.01291	0.9
158.99638	13.5
161.01202	6.5
161.02521	0.7
161.02979	0.6
162.06694	1.4
162.99132	1.6
163.02747	1.0
163.03940	2.1
165.00674	3.5
167.02260	1.4
167.07079	2.0
170.99649	5.2
173.01265	1.1
177.00688	24.0
177.02184	1.5
177.05571	1.3
179.00090	0.9
179.02206	1.9
179.07048	1.0
189.00690	7.7
194.99663	0.7
195.01784	2.4
195.03342	1.0
197.01234	2.0
200.02228	1.6
201.00740	3.1
210.02013	1.5
211.02780	1.4
211.99944	3.0
213.00771	1.2
213.04301	2.7
215.02203	0.9
219.01753	32.3
220.00343	1.0
223.02734	1.4
226.01480	3.4
227.02191	2.5
230.00960	0.9
235.02751	19.3
235.05013	1.3
237.02768	75.3
238.01387	11.5
240.03123	1.1
241.03781	8.0
241.06142	1.0
242.03291	1.7
245.03351	1.4
247.02733	0.9
251.02168	1.2
253.03815	29.6
255.03342	4.5
255.05850	2.0
256.02505	7.6
259.05005	2.0
259.08307	3.1
259.58475	1.0
260.02032	4.7
260.04486	2.5
265.03891	2.6
269.03296	6.6
271.04834	14.8
276.05438	1.8
277.03809	24.0
278.03186	2.7
279.05670	4.7
280.02664	1.2
283.05078	1.0
287.04385	1.3
289.05869	1.0
291.07675	1.0
295.04861	47.4
297.06442	1.3
307.04871	1.4
309.08557	2.0
311.04321	3.7
312.08676	0.8
313.05948	8.0
318.06454	3.7
325.05817	1.0
331.04819	1.0
337.05872	10.6
339.60278	1.5
340.11063	7.2
340.60910	1.7
349.05875	1.1
355.06937	3.8
356.48047	0.8
367.06937	2.9
379.07166	2.6
385.07782	1.3
388.46759	0.8
389.04486	1.0
393.11432	0.9
397.08047	6.0
415.09073	77.0
416.09494	3.3
433.10165	20.2
434.10471	0.8
438.10739	1.2
456.11639	2.4
475.11176	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.9
53.03945	7.6
53.04155	1.6
55.01850	4.3
55.05504	23.1
56.90018	1.1
57.03426	5.9
57.07057	2.8
65.03921	4.9
67.05497	82.4
68.05827	1.3
69.03422	2.2
69.07057	27.7
71.04970	4.0
71.52708	1.2
71.53109	2.2
73.02908	1.4
77.03868	1.5
79.05482	91.6
81.03408	9.9
81.07045	100.0
82.07359	2.0
83.04973	15.6
83.08609	17.1
85.06527	4.5
87.52443	1.2
91.05469	66.8
93.07029	86.0
94.07386	1.3
94.25235	1.1
95.04956	25.8
95.08591	38.9
96.08947	1.5
97.06522	12.8
97.10144	3.8
99.08082	2.9
103.05436	1.9
105.04501	2.4
105.07017	40.3
107.04957	7.4
107.08578	37.2
109.06487	6.6
109.10131	6.9
111.08036	7.3
113.09624	1.7
117.06995	15.0
119.08566	23.7
121.06500	4.5
121.10124	17.6
123.08030	6.7
123.11702	1.2
127.07552	1.4
128.06226	2.2
129.06998	12.3
131.08562	7.7
133.06514	2.8
133.10104	14.1
135.08022	2.9
135.11679	9.0
137.09550	1.4
139.07516	1.6
139.11182	1.4
143.08546	7.2
145.10115	8.7
147.08028	1.9
147.11658	27.8
149.13237	21.4
151.07500	2.4
151.97809	1.3
157.10179	1.2
159.11647	9.8
161.09593	2.8
161.13239	8.8
163.11104	2.6
165.09120	1.8
171.11690	21.8
177.12740	5.2
179.14308	2.2
189.12735	11.2
195.13821	4.9
207.13766	25.8
225.14929	4.0
259.16699	1.3
281.17416	2.9
297.22794	1.3
304.26340	6.9
354.69489	1.4
468.04269	1.2
475.30582	55.2
476.30664	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33165	1.8
53.03927	8.3
54.53107	1.6
55.01868	2.5
55.05506	25.0
55.53760	1.8
57.03423	4.6
57.07077	3.0
57.14178	1.7
57.95606	1.7
59.04977	2.7
59.89629	1.5
65.03926	3.2
67.05133	4.2
67.05497	85.9
69.07057	24.3
69.80025	10.5
71.04985	9.0
73.06535	2.6
79.05489	100.0
81.03418	13.1
81.07047	90.4
83.04975	14.4
83.08609	16.7
85.06512	5.7
91.04898	3.5
91.05474	69.3
93.07037	88.0
93.44931	2.3
95.04949	23.3
95.08596	35.8
97.06525	10.7
97.10132	3.7
99.08073	3.9
103.05447	3.2
105.04500	2.2
105.07026	41.4
107.04942	7.0
107.08589	38.9
109.06514	8.8
109.10140	7.6
111.08061	6.7
117.07000	14.6
119.08577	20.9
121.06490	4.5
121.10130	19.6
123.08044	7.5
123.11723	3.3
125.09643	2.2
128.06241	2.6
129.06970	16.2
131.08549	8.8
133.06535	2.4
133.10117	16.0
135.08022	3.4
135.11725	9.6
137.05933	1.8
139.90091	1.7
141.09109	1.8
143.08595	10.0
145.10066	9.2
147.07970	2.4
147.11678	34.4
149.13252	25.8
151.07530	4.0
159.11693	12.0
161.09653	3.4
161.13243	11.5
165.09068	3.9
166.82245	2.0
171.11678	26.7
177.12689	3.9
189.09045	3.2
189.12706	10.8
195.13794	5.0
207.13759	30.0
225.14810	5.0
262.29489	2.1
265.81448	1.9
266.79337	1.7
295.21558	1.8
311.19406	2.2
314.30450	1.8
374.54465	2.2
475.25046	2.5
475.30524	60.9
476.30841	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.0
53.03938	8.8
55.01860	3.3
55.05505	27.4
57.03422	6.3
57.07058	2.5
62.03783	1.5
65.03928	5.9
67.05495	93.2
69.06718	2.4
69.07060	24.8
71.04985	5.5
71.52828	1.9
73.06558	2.0
73.82803	1.6
77.03915	2.4
79.05486	95.0
81.03408	9.1
81.07047	100.0
83.04972	17.2
83.08609	15.8
85.06532	7.2
86.32799	1.5
91.05474	70.2
93.07031	95.3
95.04958	25.3
95.08599	36.5
97.06522	11.5
97.10183	2.6
99.08060	3.9
103.05479	2.5
105.04492	3.6
105.07017	37.5
107.04949	7.0
107.08588	36.3
109.06524	5.7
109.10146	6.0
111.08065	6.7
113.75603	1.9
115.05444	2.1
117.07000	13.7
119.08569	24.7
121.06493	5.2
121.10143	16.3
123.08066	4.5
123.11748	2.2
124.08363	1.8
127.07564	2.5
127.35339	1.7
129.06972	17.2
131.08562	12.2
133.10107	15.2
135.01239	1.7
135.08043	2.8
135.11696	9.3
137.09537	1.6
143.08542	7.4
145.10114	9.8
147.08070	1.9
147.11658	32.7
149.13249	28.5
151.07550	6.4
159.11708	9.3
159.12878	1.5
161.09636	3.4
161.13223	12.3
163.11340	2.2
165.09048	3.5
166.46149	1.6
171.11674	25.3
177.12784	4.2
189.12750	12.1
195.13853	8.0
207.13770	31.3
215.10710	2.4
225.14847	3.9
229.12144	1.9
231.13846	1.9
435.22113	2.1
475.25031	3.4
475.30502	65.2
476.31015	3.1
493.86438	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.6
55.01857	5.3
55.05507	25.4
57.03424	5.4
57.07071	3.5
62.25243	1.3
65.03928	5.2
67.05499	88.9
68.05822	1.8
69.07063	25.2
69.28223	3.6
69.28638	10.0
71.04987	3.3
79.05485	91.5
80.95805	1.4
81.03413	14.3
81.07048	100.0
83.04972	15.1
83.08611	17.9
85.06546	4.2
91.05472	65.6
93.07035	90.6
94.07378	2.0
95.04959	25.0
95.08599	34.1
95.09164	2.6
97.02882	1.6
97.06510	10.5
97.10158	4.2
99.08076	3.4
105.04539	2.5
105.07020	36.5
105.07677	2.6
107.04949	11.6
107.08590	35.3
107.09301	2.5
109.06505	6.3
109.10148	7.1
111.08082	6.5
117.07008	10.1
119.08569	21.9
121.06516	5.2
121.10132	17.2
123.08075	6.2
125.06004	2.1
127.07554	2.8
128.06200	3.3
129.07016	11.4
131.08539	10.0
133.06490	2.1
133.10133	16.3
135.08003	1.8
135.11681	6.7
138.94392	1.4
141.06929	1.4
141.09154	1.4
143.08543	6.7
145.10132	12.0
147.08011	3.1
147.11661	26.2
149.13257	26.1
151.07510	2.0
159.11670	11.8
161.09641	5.2
161.13225	11.2
165.05389	2.2
165.09096	2.7
171.11664	21.0
177.12772	5.8
181.12245	3.0
189.12758	11.2
193.12325	2.1
195.13805	6.2
200.51157	1.3
200.52968	1.3
207.13777	29.6
225.14899	3.6
227.12819	1.7
263.16476	1.6
269.17612	1.8
281.17535	2.4
304.26184	8.3
346.06079	1.5
403.92172	1.4
475.30673	57.2
476.30838	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	475.305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	2.1
52.79671	1.6
53.03925	7.8
55.01856	4.6
55.05262	2.2
55.05503	25.0
57.03416	6.5
57.07063	4.4
65.03922	3.0
67.05497	93.7
69.06725	2.3
69.07061	26.0
69.29248	1.7
71.04976	6.0
71.42500	1.6
71.52674	1.6
79.05484	100.0
81.03410	12.1
81.07048	99.8
82.79928	1.9
83.04984	18.0
83.08611	16.2
85.06521	4.9
85.16007	1.8
91.05470	69.7
93.07034	89.1
95.04958	23.7
95.08594	37.3
97.06509	11.5
97.10127	3.5
99.08020	2.6
105.04494	3.9
105.07021	45.7
107.04974	8.4
107.08579	37.0
108.01038	1.7
109.06488	5.8
109.10122	6.4
111.08041	7.4
117.07017	15.2
119.08574	25.6
121.06454	4.4
121.10136	18.2
123.08048	6.7
124.03240	1.7
128.06177	2.3
129.06970	11.2
131.08563	10.1
133.10115	13.7
135.04427	1.7
135.08018	3.1
135.11681	9.3
143.08533	7.5
145.10092	10.0
147.08022	3.5
147.11684	32.3
149.13249	25.9
157.10167	2.9
159.11710	9.6
161.09590	3.2
161.13252	12.5
165.09082	3.3
171.11644	28.2
177.12746	5.5
189.12726	13.9
193.08516	3.3
195.13748	5.8
207.13809	32.2
225.14879	5.8
269.17361	3.5
339.07071	2.2
427.62305	2.1
475.30408	85.1
476.30695	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	475.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.7
55.01860	2.3
55.05503	6.5
57.03431	15.4
57.07071	43.5
60.80575	1.7
61.02921	47.8
67.05499	16.5
69.03425	20.5
69.07069	10.7
71.01336	3.1
71.04991	3.3
71.08627	30.4
71.53108	2.9
73.02912	21.8
75.04478	1.7
79.05479	4.6
81.03414	18.7
81.07040	23.4
83.04975	1.8
83.08612	16.1
83.87893	1.6
85.02895	45.9
85.10178	15.9
87.04432	2.4
91.03946	26.0
91.05461	3.2
93.07036	5.5
95.08596	32.2
97.02883	42.8
97.10165	8.2
99.04443	9.0
99.11710	2.2
101.02348	8.7
103.03936	7.7
105.07019	3.3
107.04923	1.8
107.08567	3.3
109.02885	12.4
109.10151	15.2
111.04444	2.8
111.11684	2.0
115.03919	3.6
117.05471	3.2
121.10102	2.5
123.11720	5.1
125.09634	2.0
127.03900	21.0
129.05435	3.8
137.06000	2.3
137.13242	3.6
145.03922	1.7
145.04948	7.4
151.07524	2.8
159.06535	2.2
183.06541	3.6
187.33006	1.6
189.09039	1.8
201.07533	4.4
221.22563	2.2
239.23643	28.6
257.24741	3.8
272.20941	1.6
313.27325	100.0
314.27652	2.5
341.26465	4.0
355.28265	1.7
457.31744	6.0
475.32703	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97401	1.7
55.71073	1.8
57.03437	12.2
58.06601	8.6
59.04987	4.3
60.04505	2.4
69.03419	46.7
70.06588	2.9
70.98930	2.7
70.99256	2.2
71.04990	2.0
73.76051	1.8
81.03401	3.1
83.04959	1.8
85.02895	39.7
87.04459	35.1
91.05467	6.4
92.88104	1.7
97.02874	40.2
104.92063	1.9
107.04919	13.1
111.56815	2.0
115.03906	53.2
119.04934	15.8
123.04408	2.4
127.03870	6.3
133.04939	54.8
137.05959	3.3
143.04869	2.8
145.04929	5.0
145.06409	2.7
147.04384	100.0
150.07597	16.4
165.05458	61.2
165.06860	2.1
171.04396	4.2
175.07486	1.8
180.08612	2.6
188.07016	17.9
189.05428	8.0
189.07794	5.5
207.06516	9.4
237.08997	2.0
243.06476	3.8
254.75777	1.8
279.08664	4.8
296.12726	17.5
314.17499	18.0
342.78534	1.8
403.66788	1.8
476.22766	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	476.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.3
57.03424	6.1
59.06135	1.9
60.04224	3.2
60.04521	54.1
61.02913	4.2
67.05467	2.1
69.03423	9.9
71.01342	2.0
71.04955	3.3
71.22839	4.4
71.51732	1.7
73.02917	24.3
75.02392	1.7
79.64050	1.8
81.03406	4.6
85.02898	26.0
86.09688	2.0
87.04456	4.6
89.06020	17.0
91.05472	3.5
93.07023	3.6
95.04956	3.4
95.64668	1.7
97.02888	12.5
99.04402	1.9
103.03928	2.0
105.07026	12.0
107.04932	3.6
109.02877	3.6
111.04382	1.8
115.03906	7.2
119.04912	3.3
121.06483	15.7
123.04424	4.8
125.05970	3.0
127.03893	8.8
129.06973	3.2
133.04982	9.3
133.08607	12.1
137.05956	3.5
145.04951	7.7
146.09628	15.0
147.04362	2.9
147.08015	14.4
149.06078	2.7
151.03870	2.1
163.07448	2.2
164.10709	100.0
165.09036	2.9
177.05417	2.4
177.11226	3.6
182.11725	7.7
188.03864	2.4
207.06393	2.5
249.70929	1.8
326.15982	19.6
344.16953	3.6
399.79483	2.0
458.20074	5.0
476.21021	9.1
477.17087	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	476.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79288	1.4
55.01846	1.7
57.03437	7.2
60.04522	9.8
61.02913	2.2
69.03427	18.4
70.06594	1.7
70.77012	3.3
73.02930	8.1
75.04456	1.5
79.05502	2.0
81.03413	3.7
85.02424	2.5
85.02901	22.2
87.04462	10.9
89.06016	1.8
91.05484	3.3
93.07047	1.9
95.04946	1.4
97.02885	16.2
104.21528	1.3
105.07035	9.8
107.04890	1.4
107.08588	1.2
109.02885	2.7
115.03922	12.4
118.06525	1.6
119.04997	1.4
119.08562	1.7
120.08115	1.7
121.06504	12.2
123.04434	3.9
127.03937	4.9
129.07028	2.3
131.07300	3.0
131.29539	1.4
133.04977	12.3
135.08026	1.4
136.07526	1.6
137.05907	2.2
145.04948	4.7
146.09662	16.9
147.04375	1.5
147.08028	12.5
163.07550	3.0
164.10704	100.0
165.09106	2.7
168.06607	2.4
173.11092	1.5
176.09230	1.8
177.05476	1.7
182.11755	6.8
188.03809	2.1
307.97516	1.5
314.07141	2.7
326.16019	14.8
326.53925	1.3
344.16968	4.6
476.20929	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	476.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01865	1.7
55.05489	1.2
57.03154	1.3
57.03432	23.2
57.22344	1.0
58.67572	0.9
59.04992	6.1
60.04518	2.2
61.02924	1.9
67.05493	1.1
69.03426	77.7
69.39166	2.8
69.39571	6.7
71.01293	1.0
73.02916	2.6
75.04460	3.2
79.05470	1.1
81.03394	2.6
81.07072	1.1
83.04949	1.1
85.02898	63.2
87.04463	56.2
91.05443	2.6
94.48126	1.1
97.02885	61.4
99.04463	3.1
105.07024	8.7
107.08569	1.6
109.02868	2.8
109.06498	1.3
115.03921	92.2
119.08560	1.2
123.04369	1.1
124.05193	10.8
127.03911	7.4
129.07060	1.8
133.04956	100.0
133.06406	6.4
137.05959	17.8
144.06537	2.2
145.04955	10.6
145.06317	1.4
147.04387	2.7
150.07599	10.1
157.06552	1.2
162.07620	1.3
163.03864	2.4
165.09103	36.1
165.10529	2.1
169.04916	1.6
177.05429	2.1
177.09084	2.4
180.08652	2.1
189.09082	4.4
193.05087	1.7
198.11218	1.9
201.09097	3.1
205.08632	1.3
207.10121	2.8
215.10741	1.1
231.10214	1.7
241.06995	1.9
243.10191	2.8
259.08130	2.8
261.11301	1.4
277.08966	1.4
307.16452	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
55.01864	2.0
57.03435	30.6
59.04995	3.7
60.04513	2.6
61.02915	1.9
69.03427	85.7
70.67780	6.2
73.02901	2.9
75.04493	3.2
75.27034	2.0
81.03421	2.9
81.07066	1.8
81.63340	2.0
83.04984	9.0
84.97466	2.0
85.02901	67.7
86.71726	2.6
87.04466	60.2
97.02885	71.4
103.05485	2.0
105.07024	13.1
109.02886	3.7
109.06545	2.2
115.03927	79.7
127.03909	7.0
131.04997	2.5
132.03004	1.9
133.04958	100.0
133.06435	17.5
137.05963	25.4
144.06584	2.7
145.04924	10.1
145.06512	2.8
150.07588	12.0
165.09103	51.0
177.09160	5.0
180.08638	2.8
189.09142	5.6
207.10214	6.0
231.10216	2.7
243.10138	4.5
273.81628	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	476.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92205	0.3
51.79172	0.3
53.03926	1.7
54.01250	0.4
55.01859	0.7
55.03944	0.3
55.05506	8.8
56.01801	0.4
57.03434	8.4
57.07068	0.6
62.06068	0.6
62.99204	0.4
64.90837	0.4
65.03914	1.4
67.05497	32.1
68.05818	0.4
68.96661	0.3
69.03394	0.3
69.06726	0.5
69.07058	6.9
70.00907	1.9
71.04974	1.1
79.05480	14.9
81.07046	25.5
83.08615	2.8
91.05469	7.8
93.07033	17.9
95.04965	2.1
95.08596	19.9
97.06515	1.1
97.10147	0.7
98.06047	0.5
98.98457	0.7
105.04531	0.5
105.07020	4.4
107.04894	0.5
107.08578	8.5
109.06496	0.8
109.10142	7.6
111.08021	0.5
117.06985	1.5
119.08572	3.3
121.10128	5.7
123.08048	0.6
123.11704	2.1
124.01640	0.5
131.08548	2.3
133.10088	2.3
135.11674	3.1
145.10100	1.5
147.11665	1.3
149.13216	1.3
159.11647	0.8
161.13223	1.0
173.13312	0.8
212.38129	0.4
216.06374	0.7
259.14020	0.4
261.22107	0.9
276.61090	0.4
297.37317	0.4
304.26303	3.5
316.36551	0.4
335.25751	100.0
336.26031	3.3
370.90143	0.4
426.75632	0.4
427.84378	0.4
476.31018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06770	1.4
55.05508	8.6
57.00985	1.6
57.03429	5.3
62.05788	2.8
62.06085	38.2
63.21312	1.5
67.05495	28.7
68.66084	1.5
69.07050	7.6
70.00229	7.3
79.05485	17.7
81.06638	2.3
81.07052	23.2
83.08607	3.5
91.05492	8.6
93.07034	18.0
95.04964	2.6
95.08590	20.5
97.10168	1.9
98.00794	1.9
98.06053	1.5
98.21436	2.3
98.98449	11.5
105.07005	9.5
107.08566	8.0
107.82066	1.7
109.10131	5.1
116.71234	1.9
119.08556	4.4
121.10124	10.2
123.11726	1.8
131.08572	2.8
133.10118	5.7
135.11682	3.0
145.10149	2.6
147.11627	3.5
149.13240	2.6
150.25903	1.9
155.01060	3.5
173.02121	3.5
198.05202	2.4
210.62860	1.8
216.06345	3.4
243.21109	1.9
261.22150	7.6
304.26370	10.5
335.25772	100.0
336.25937	2.9
447.83429	1.9
458.26352	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	477.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53692	3.8
53.03192	6.5
53.03938	14.9
55.01860	18.4
55.05263	6.7
55.05508	74.6
57.03428	18.6
59.04988	5.3
65.03938	8.4
67.05495	79.2
69.03428	12.2
69.07056	21.9
69.44534	4.1
70.48951	6.8
70.49309	14.7
71.04985	7.0
79.05492	92.0
79.05952	3.0
81.03413	100.0
81.07044	77.5
83.04972	27.9
83.08611	54.3
85.02888	19.3
91.05471	90.1
92.61751	4.2
93.07040	56.3
93.37792	4.0
95.04959	63.1
95.08608	37.1
97.06523	12.9
97.10163	54.7
103.05454	4.6
105.07018	67.0
107.04938	46.9
107.08589	37.3
109.05782	3.8
109.06523	16.4
109.10159	21.7
111.08067	15.7
113.05917	4.3
115.05466	6.0
117.07005	24.7
117.18568	4.0
119.04929	3.8
119.08569	40.8
121.06508	33.1
121.10140	18.7
123.08068	12.9
123.11723	7.6
125.05965	6.2
125.09607	44.3
129.06998	33.6
131.04901	6.3
131.08553	35.0
133.06482	11.7
133.10107	27.3
135.08032	19.2
135.11612	6.1
141.06998	7.7
143.08571	12.5
145.06441	23.6
145.10130	18.0
147.08072	12.8
147.11667	27.0
149.09633	13.6
151.07587	5.0
153.09067	7.9
155.08633	5.2
157.10121	29.9
159.11749	5.3
161.05974	5.4
161.09592	6.4
163.11157	15.3
169.10104	6.7
170.86618	4.8
171.08011	5.8
171.11659	11.2
173.09714	4.8
175.11095	22.6
181.10158	5.1
183.11676	5.9
187.14806	5.8
189.11197	30.2
193.12231	75.3
211.13208	35.2
213.12715	6.0
217.12184	4.5
227.12717	24.8
233.15384	17.6
249.14815	6.7
255.13832	7.5
259.13229	4.3
267.15851	41.3
273.14886	19.7
291.15942	4.5
301.42444	4.2
315.19354	5.0
339.23370	8.5
349.21545	21.4
350.21835	4.8
357.24261	11.0
367.22675	61.4
385.23688	96.3
403.24796	21.8
417.25763	5.2
441.26688	9.8
459.27448	94.9
460.27286	6.5
477.28467	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.6
53.81110	2.3
55.01866	16.6
55.05505	74.3
57.03432	20.0
59.05011	3.8
65.03954	4.2
67.05496	83.7
69.03423	12.3
69.07063	27.0
70.23520	2.2
71.04994	8.4
77.03923	3.4
79.05486	100.0
81.03403	79.5
81.03847	4.1
81.07049	81.4
83.04976	22.6
83.08614	46.5
85.02898	16.6
85.06521	5.5
90.94648	2.3
91.04896	5.4
91.05466	85.4
93.07033	58.7
95.04957	52.1
95.08595	37.3
97.02917	3.6
97.06544	8.1
97.10159	58.8
99.04507	2.3
99.08121	5.7
103.05504	6.4
105.03332	2.4
105.04564	3.8
105.07024	57.6
105.07685	4.2
107.04949	48.6
107.08583	46.9
109.02886	3.9
109.06512	17.6
109.10142	26.1
111.04400	3.0
111.08044	12.6
113.05997	3.9
115.05457	7.5
117.07006	22.4
119.04962	8.9
119.08574	35.5
121.06493	44.4
121.10136	17.6
123.04420	7.1
123.08060	13.8
123.11704	6.7
125.06012	5.6
125.09607	49.3
125.10425	3.3
128.06245	6.6
129.06992	27.8
131.04956	8.4
131.08559	32.9
133.06474	22.8
133.07286	2.1
133.10103	26.1
135.04385	3.4
135.08047	12.4
135.11723	7.5
137.05975	7.7
137.09633	7.1
139.04004	2.1
141.07002	4.8
141.09155	2.9
142.07806	4.8
143.08556	15.1
145.02835	2.7
145.06471	21.4
145.10103	15.0
147.04411	10.6
147.08034	19.8
147.11659	33.1
149.06024	4.0
149.09583	15.4
149.13167	3.2
151.03923	3.7
151.07507	5.7
151.11185	4.3
153.01805	4.8
153.09117	12.6
153.12781	5.6
155.07143	2.7
155.08549	5.6
157.06572	4.0
157.10112	23.1
159.08078	8.0
159.11732	7.0
161.05956	16.6
161.09645	6.9
161.13393	2.9
163.03883	3.3
163.11198	7.9
165.05583	4.0
165.06976	2.7
165.09131	4.8
165.12764	6.3
167.07074	8.3
167.08453	3.4
168.04237	4.1
169.06577	3.5
169.10237	6.0
171.08081	7.8
171.11707	12.9
173.09671	6.0
173.13281	5.0
175.07596	3.8
175.11145	24.7
177.05440	4.3
177.12782	3.9
181.01364	5.0
181.10176	6.0
183.06642	2.6
183.08194	2.9
183.11702	4.9
185.09579	4.4
185.13321	6.5
187.11237	5.3
187.14885	8.4
189.09277	4.6
189.11258	23.9
189.12750	4.8
191.07217	3.3
191.10715	2.9
193.08633	5.8
193.12228	53.2
193.13867	4.3
195.08167	3.2
197.13297	6.0
199.11263	6.6
201.12830	3.8
203.14388	4.1
205.12303	6.9
209.00864	3.9
211.11340	4.4
211.13214	26.3
213.12836	5.4
215.14297	11.0
217.12317	6.2
224.03172	14.0
227.12619	13.6
229.37859	2.8
231.13815	6.8
233.15318	20.1
235.13316	3.5
237.12764	4.0
239.05464	12.2
239.14194	2.7
241.12202	3.1
241.14189	6.0
243.13823	3.1
245.15533	4.2
249.15012	6.0
255.13751	4.0
257.15561	3.7
259.13223	4.7
261.15015	3.2
267.04971	31.2
267.15839	19.9
267.18073	2.2
271.16931	3.2
273.14850	22.0
291.15964	4.4
299.16425	3.0
339.23254	9.1
341.21072	3.5
349.21625	19.9
357.24130	11.6
367.22647	63.3
368.23099	3.3
375.25418	4.1
385.23688	100.0
386.24020	4.0
386.90683	2.7
403.24777	35.0
427.10254	3.4
433.25949	5.7
441.26559	10.6
459.27396	91.9
459.33829	5.6
460.28177	4.3
477.13907	13.4
477.28598	76.0
478.28940	2.7
486.01666	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	477.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41372	2.4
52.72909	2.3
53.03933	10.9
55.01868	22.4
55.05506	92.0
57.03426	17.3
59.04984	4.4
65.03926	5.5
67.05498	98.8
69.03427	15.0
69.07066	26.2
71.04990	13.0
77.03884	3.1
79.05484	100.0
81.03410	99.7
81.06583	4.9
81.07046	78.5
81.07524	5.7
83.04975	27.6
83.08614	54.7
85.02887	14.2
85.06548	4.1
85.08643	2.5
91.05466	86.1
91.06017	5.3
93.07034	52.9
95.04959	56.0
95.08596	38.4
96.24603	2.4
97.02905	4.7
97.06529	13.5
97.10162	58.5
99.08097	4.4
100.02135	2.7
100.76730	2.3
101.09697	2.1
103.05440	4.5
105.07025	67.1
107.04945	54.5
107.08581	47.3
109.02914	3.0
109.05836	2.5
109.06511	19.0
109.10147	20.2
111.04442	3.0
111.08061	18.0
115.05468	8.1
116.06230	2.7
117.06985	23.4
119.04892	4.4
119.08576	42.6
121.06486	35.9
121.10143	16.0
123.04411	3.2
123.08073	15.1
123.11681	6.5
125.06024	3.4
125.09621	46.7
128.06219	8.6
129.06982	32.5
131.04898	8.7
131.08563	36.7
133.06470	16.7
133.10121	24.3
135.04437	3.9
135.08032	18.2
135.11681	7.6
137.05945	3.1
137.09590	2.6
141.06985	6.0
142.07780	5.8
143.08502	14.9
143.10672	2.9
145.06458	28.7
145.10103	17.7
147.04413	3.9
147.08046	17.0
147.11690	24.0
149.09589	13.3
151.07484	3.4
151.11191	4.9
151.53586	2.7
153.09096	12.0
153.12708	5.2
155.08522	8.9
157.06485	7.4
157.10133	21.0
159.08134	4.6
159.11670	6.1
161.06012	4.5
161.09641	3.2
161.13223	4.4
163.11235	5.6
165.09119	3.7
165.12711	5.0
168.09303	2.9
169.10088	8.3
171.08044	8.2
171.10303	2.8
171.11722	8.8
173.09618	5.3
173.11792	3.3
175.11156	21.1
177.12811	4.1
181.10101	5.0
183.11656	3.5
185.09593	3.8
185.13329	5.8
187.11174	6.5
187.14825	4.4
189.11230	30.2
189.12799	8.1
193.12213	56.8
195.08054	3.8
195.11781	4.0
197.13277	6.6
199.11217	6.6
205.12122	3.8
211.13260	30.5
213.12761	6.6
215.14322	8.5
217.12291	5.2
225.12523	3.5
227.12633	13.6
232.72774	2.7
233.15297	18.9
235.13077	3.4
237.12727	3.8
241.14307	4.5
245.15407	3.6
249.14751	4.3
255.13957	5.7
259.17142	2.7
267.15894	24.0
271.16873	2.6
273.14801	21.8
275.16391	2.5
291.15851	4.8
309.47839	2.6
321.22397	4.1
331.20450	4.3
339.23175	10.0
349.21716	17.2
357.24271	15.5
367.22577	58.9
385.23666	98.2
386.24292	2.6
403.24756	23.3
421.25906	4.1
433.25821	5.8
441.26431	8.8
459.27362	78.4
459.33914	4.9
477.28494	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	15.7
55.05259	4.8
55.05508	65.2
57.03428	13.3
65.03934	3.3
67.05176	4.7
67.05502	62.4
69.03416	10.0
69.07063	18.2
70.68603	4.4
70.68945	8.4
71.04977	5.2
79.05486	58.0
81.03411	55.1
81.07051	49.1
83.04960	13.2
83.08614	35.9
85.02885	5.8
91.04956	5.6
91.05476	57.1
93.07035	37.7
95.04964	31.1
95.08600	30.9
97.06544	7.4
97.10162	46.9
101.96716	3.1
103.05505	4.8
105.07022	44.6
107.04942	34.2
107.08584	38.5
109.06483	11.8
109.10180	20.5
109.10829	3.2
111.08077	11.3
115.05450	5.9
115.06401	2.9
117.07009	17.4
119.08547	25.4
121.06484	36.5
121.10140	16.4
123.04362	4.3
123.08052	14.1
123.11650	5.7
125.09621	41.6
127.97743	3.7
129.06995	19.6
131.04912	7.4
131.08565	27.5
133.06441	13.0
133.10109	13.3
135.04448	4.5
135.08034	10.6
135.11713	6.5
137.09595	5.1
141.07013	3.9
143.08559	10.3
145.06480	20.6
145.10092	13.8
147.08031	14.3
147.11678	14.2
149.09639	14.4
153.09109	9.6
155.08545	8.1
157.10069	16.5
159.08044	8.8
159.11717	7.0
163.11110	4.5
167.08585	6.1
169.10123	9.6
171.07964	4.0
171.10187	3.5
171.11591	4.8
173.09612	5.0
175.11147	10.6
181.10002	3.4
183.11665	5.0
185.13263	4.2
187.11145	3.8
187.14714	4.4
189.11217	25.2
189.12723	8.2
193.12222	36.3
195.11623	4.1
197.13171	4.4
200.24457	3.3
201.12825	5.4
203.14288	4.5
211.13203	7.5
215.14322	6.0
217.12131	6.9
227.12636	22.2
231.13683	5.6
233.15373	27.5
241.14401	5.0
245.15335	6.8
249.14931	5.7
255.13651	3.9
267.15903	33.4
271.16754	4.7
273.14841	18.0
291.15872	5.8
335.37027	3.8
339.23068	11.1
341.21216	4.4
347.79037	3.9
349.21719	19.2
357.24442	16.4
367.22604	48.4
385.23657	80.6
403.24789	33.4
415.24973	6.6
433.25772	10.6
441.26486	7.9
459.27365	100.0
460.27817	4.5
477.28522	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.3
55.05506	37.9
57.07068	18.6
64.11275	2.5
67.05500	29.5
69.07061	54.4
71.04987	8.6
71.08621	12.1
71.22868	3.3
71.23203	4.7
79.05495	18.4
81.07047	100.0
83.04986	8.0
83.08611	34.5
85.06545	6.3
85.10175	8.0
91.05496	8.8
93.07042	30.9
95.04989	3.5
95.08595	66.2
97.06495	3.8
97.10168	19.4
99.04446	15.1
102.67853	2.9
105.07018	12.4
107.08582	27.3
107.53457	2.8
108.25448	2.4
109.06493	12.7
109.10154	44.0
111.04436	5.9
111.08060	4.4
111.11712	11.0
113.05997	2.4
117.07047	3.0
119.08551	12.7
121.10143	21.1
123.08034	7.4
123.11716	22.2
125.05991	14.8
125.13272	4.7
127.03909	40.8
131.08517	6.7
133.10138	10.7
135.08047	4.6
135.11659	13.7
137.05956	92.2
137.09605	5.5
137.13237	9.2
139.07570	3.1
139.11263	2.9
141.05447	7.5
142.07761	3.9
143.08569	3.7
145.10123	5.1
147.08101	3.6
147.11694	6.9
149.05916	5.1
149.09602	8.5
149.13240	8.2
151.07526	10.8
151.14781	5.6
153.05452	3.8
155.07062	7.1
157.10156	5.2
159.08023	3.0
159.11674	9.5
161.09624	5.9
161.13251	4.9
163.14822	6.1
165.09120	6.1
167.07016	8.7
172.08931	2.6
173.09651	4.6
173.13266	3.9
175.11200	5.2
175.14824	4.0
177.09114	12.8
177.16388	3.8
179.07060	4.6
179.10626	3.1
183.06528	29.9
185.09659	10.0
187.11182	6.4
189.09097	7.1
191.10693	4.3
193.08678	3.6
203.10660	29.4
205.12238	4.4
205.19528	3.0
217.12202	9.1
219.13776	6.8
235.09651	18.0
245.15485	3.4
273.18481	4.1
275.27399	6.8
315.30624	3.7
320.35736	3.1
333.31595	7.4
353.14127	2.8
381.31396	5.7
399.32556	17.6
417.33594	7.3
441.33502	7.2
459.34808	15.4
477.35669	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	477.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68001	3.4
53.03944	4.3
55.05503	42.6
57.07077	28.2
59.50869	3.8
67.05494	39.8
67.35047	3.4
67.55962	3.7
69.03422	7.3
69.07066	60.8
69.54066	19.8
69.54473	9.6
71.05006	7.5
71.08627	17.3
71.24097	3.3
74.61570	3.3
76.06140	3.5
79.05483	28.7
80.25630	3.6
81.03432	5.7
81.07049	100.0
83.04969	4.0
83.08617	39.5
85.10152	9.5
91.05473	14.1
93.07035	36.5
95.08601	70.1
97.10181	26.5
99.04440	18.5
105.07027	17.4
107.08585	25.0
109.06494	18.0
109.10133	34.2
111.04452	9.2
111.08047	7.2
111.11725	9.0
119.08583	13.0
121.06497	4.1
121.10153	22.3
123.08036	10.1
123.11713	20.9
125.05979	15.6
125.13284	5.4
127.03907	31.1
129.07011	6.8
131.08620	6.5
133.10127	10.5
133.35789	3.7
135.08017	4.0
135.11681	13.5
137.05974	63.5
137.06938	6.1
137.09567	4.9
137.13211	5.4
141.05440	10.1
145.10139	7.2
147.11717	10.4
149.05992	5.8
149.09634	6.8
149.13249	13.5
151.07513	11.0
151.14850	5.7
155.07042	7.5
157.10107	5.6
159.11731	6.4
161.13287	7.7
163.14845	5.4
165.09097	4.5
167.07089	5.0
171.08028	5.2
171.20387	3.8
173.09677	5.2
175.11188	4.3
177.09154	7.7
179.07018	6.5
183.06531	39.0
185.09485	4.5
187.11191	6.1
191.10683	5.9
193.08641	4.6
203.10616	19.8
219.13768	4.7
235.09612	26.2
275.27353	10.4
288.22458	4.1
291.33533	4.2
333.20581	4.9
353.13528	5.8
389.25998	5.0
399.32574	14.5
417.33463	8.2
428.98941	4.2
441.33658	6.8
459.34372	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	477.357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21430	3.2
50.46428	3.1
51.48101	2.7
52.48175	3.0
55.01865	5.9
55.05299	3.3
55.05503	33.7
57.07064	15.7
59.46048	3.0
62.17154	3.3
65.03927	3.2
67.05188	3.3
67.05490	24.1
69.07058	54.7
70.12378	7.4
70.12762	7.2
71.04977	7.6
71.08612	11.0
72.19239	2.7
77.27744	2.8
78.65745	2.9
79.05496	21.1
79.05885	3.6
79.18549	2.9
80.66427	2.8
81.07043	100.0
83.04961	4.9
83.08595	20.6
85.06523	4.2
85.10167	5.2
88.77213	3.3
91.05471	9.0
93.07030	24.6
95.04955	3.7
95.08595	62.6
97.06572	3.9
97.10168	16.2
99.04453	14.6
105.07006	14.1
107.08571	23.0
109.06542	15.7
109.10142	37.3
111.04423	6.6
111.11713	8.6
119.08567	12.8
121.06493	6.9
121.10118	17.7
123.11685	14.8
125.05979	13.9
125.09620	4.4
127.03918	30.6
131.08543	6.0
133.10072	4.3
135.07997	4.4
135.11685	10.5
137.05960	80.8
137.09563	4.8
137.13228	10.5
144.09393	3.8
145.05006	3.3
145.10118	8.9
146.04797	3.2
147.11673	6.4
149.06006	6.1
149.09619	4.6
149.13260	9.8
151.07532	15.2
153.05441	4.4
155.06946	4.0
157.10109	7.2
159.11653	8.1
161.09648	6.3
161.13214	4.1
163.07562	7.3
163.14822	6.9
165.05565	4.1
165.09164	7.0
167.06981	7.7
171.08037	6.1
171.11588	4.1
173.09619	11.9
173.13268	3.3
177.09091	10.0
178.09837	7.4
179.06985	3.1
181.08633	3.0
183.06522	18.1
185.09627	13.3
187.11234	9.7
188.08318	8.9
189.09117	12.3
189.12822	3.5
191.10741	6.5
193.08603	4.1
203.10643	31.4
205.12239	4.0
217.12091	7.5
219.13734	6.0
254.09250	4.4
265.12637	3.4
269.11694	5.0
275.27362	10.9
297.11203	9.6
315.30157	5.1
325.14255	11.5
333.31241	5.8
338.11423	4.9
353.13776	36.5
381.31491	7.0
385.53769	3.9
399.32535	17.9
417.33627	10.9
441.33459	7.8
459.34720	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	478.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01851	0.9
57.03430	3.3
57.07070	56.4
58.35981	0.8
61.02917	8.2
69.03416	13.0
69.75990	5.2
71.04964	1.2
73.02898	2.7
81.03404	18.4
81.03860	1.2
85.02894	24.1
85.06531	11.4
91.03951	2.7
91.05444	1.0
92.02637	1.0
93.03391	1.3
97.02877	16.6
98.20803	1.0
99.04462	2.1
103.07567	7.9
109.02867	10.1
119.04960	2.5
121.02833	1.5
121.06433	1.0
127.03898	18.6
131.04889	1.2
137.05978	11.3
145.04935	11.2
147.04343	5.6
149.09592	1.0
151.03903	2.1
153.01797	8.3
163.03925	1.8
170.08199	0.9
179.06955	1.6
203.03383	1.4
211.09540	1.6
217.05011	1.3
228.04221	2.5
229.04980	3.3
229.10684	31.0
246.05278	1.5
247.11742	32.6
257.04410	2.5
273.03772	2.2
274.04770	4.0
285.03790	5.0
287.05753	0.9
302.04135	14.7
303.54102	0.8
317.06516	100.0
322.69165	1.0
329.06247	1.0
383.07291	1.0
478.17236	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01859	11.0
57.03431	25.0
59.04988	2.1
61.02913	16.5
67.05496	11.4
69.03423	42.5
69.07050	3.3
71.01333	4.3
71.04978	8.0
71.52445	2.5
73.02912	100.0
74.66249	2.0
79.05473	9.9
80.75449	1.9
81.03416	10.0
81.07047	14.0
83.04979	5.6
85.02901	93.3
87.04446	8.1
91.03947	4.7
91.05479	10.2
93.07035	16.1
95.04966	5.1
95.08600	8.4
97.02885	70.5
97.06490	2.3
99.04441	7.4
103.03931	3.4
103.05444	2.8
105.07017	7.4
107.04950	5.1
107.08582	7.4
109.02858	8.8
109.06544	2.3
109.10166	3.1
111.04432	26.9
115.03925	45.6
117.06984	2.9
119.04924	6.5
119.08607	2.4
121.06476	3.7
121.10129	18.0
122.03651	3.4
123.04411	6.7
123.11668	3.6
125.05976	5.1
127.03902	26.3
133.04956	45.3
133.10104	5.0
135.04385	2.5
135.07950	2.2
135.11670	3.2
137.05968	25.2
139.03879	3.1
139.11157	2.3
140.07076	3.2
141.06950	2.4
144.06549	3.3
145.04956	37.1
145.10153	2.6
147.04433	11.8
149.05936	2.4
149.09616	22.8
151.03893	3.9
151.07510	17.1
157.06464	2.1
161.05952	9.2
161.09648	2.8
162.07625	3.1
163.06024	9.1
165.05473	8.2
165.09123	2.9
167.10675	40.6
173.08116	2.9
173.13136	2.2
175.07617	2.6
177.05426	6.7
177.16431	2.3
180.08539	3.1
189.09084	4.4
193.05043	2.4
195.10112	8.3
223.05905	4.3
235.13301	3.4
241.06963	9.5
253.08708	2.6
259.08072	4.9
263.12778	5.4
265.08575	5.7
277.09189	2.2
281.13824	6.8
283.09528	3.2
285.11240	2.5
295.94467	2.4
297.11340	5.6
297.68698	2.7
297.86368	2.1
299.08765	3.1
311.12646	3.6
317.06464	9.2
317.09766	2.3
341.06802	2.3
461.14096	2.4
479.13394	5.2
479.20068	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	478.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01862	4.1
55.05494	4.8
57.03433	41.6
59.04978	4.1
61.02921	14.4
65.39657	1.5
67.05495	5.5
69.03425	55.9
69.07058	3.9
71.01345	5.1
71.04984	4.5
71.52929	2.7
73.02914	100.0
79.05476	9.3
81.03408	8.3
81.07059	9.1
83.04961	2.8
83.50878	1.4
85.02900	73.9
87.04472	10.5
91.03957	3.0
91.05476	11.7
93.07036	27.6
95.04952	7.1
95.08597	5.4
97.02884	84.0
98.06042	2.5
99.04451	5.0
103.03954	3.0
104.88412	1.5
105.07036	8.3
107.04981	2.2
107.08588	11.6
109.02880	5.9
109.06513	2.0
111.04427	3.4
111.08089	4.3
115.03923	60.8
117.06995	2.1
119.08587	5.5
121.02897	2.2
121.06483	3.4
121.09317	3.4
121.10140	44.7
123.04418	4.3
123.08069	2.3
123.11662	3.0
125.05914	2.6
127.03912	24.8
131.08574	3.5
132.06544	1.8
133.04947	22.8
133.10127	3.3
135.04407	4.0
135.11681	3.3
137.05939	4.1
138.62784	1.7
139.11162	6.5
144.06552	6.5
145.04938	23.1
145.10097	3.5
147.04428	3.5
147.11673	2.9
149.09624	13.3
149.13239	2.0
150.07637	3.9
151.03949	1.6
151.07535	4.1
151.84920	2.0
161.09677	2.0
162.07625	2.7
163.03909	2.2
163.06020	6.6
163.07391	2.1
165.05467	1.8
165.09062	2.3
167.06941	2.4
167.10674	36.6
170.11421	2.1
177.05479	3.3
180.08675	5.3
184.13036	1.5
187.05936	1.8
193.04901	2.3
223.06078	3.7
241.07062	5.9
259.08157	4.6
311.15015	2.5
317.06479	4.7
366.14017	3.7
384.15247	2.1
459.30362	1.7
479.13034	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	478.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01660	1.4
55.01873	15.0
55.05504	2.4
55.15576	1.3
57.03431	27.7
59.04985	4.1
61.02692	1.4
61.02924	16.6
65.03932	1.5
66.32402	1.3
67.05502	3.5
68.09296	1.4
69.03425	45.8
69.80401	6.4
69.80824	3.3
71.01340	5.6
71.04991	3.0
72.04517	1.5
73.02912	100.0
79.05481	4.6
81.03415	8.0
81.07053	7.4
83.04980	1.6
85.02898	95.1
87.04461	8.9
91.03934	4.8
91.05466	4.6
93.07039	14.9
95.04971	7.0
95.08586	5.3
97.02883	78.4
99.04443	2.9
103.03934	5.4
105.07024	5.7
107.08565	6.9
109.02883	7.6
109.06551	1.9
111.04432	5.8
115.03921	49.3
117.06931	1.5
119.04984	2.2
119.08572	5.0
120.08925	1.6
121.02825	4.1
121.10149	26.7
123.04449	7.3
123.11707	1.5
125.05998	1.7
127.03911	35.5
129.28532	1.4
131.08592	2.9
132.06541	1.8
133.04951	54.7
133.10117	2.0
135.11719	1.7
137.06001	3.8
139.11197	2.4
144.06522	3.8
145.04951	46.1
145.10107	2.9
145.74030	1.5
147.04390	4.2
147.08051	3.3
149.09607	13.2
150.07600	2.6
151.07518	1.8
156.06503	2.0
162.07559	3.1
163.06020	16.0
163.07303	2.8
165.05531	1.4
165.09090	3.0
167.10666	41.4
177.09183	1.5
180.08638	3.9
181.04947	2.3
191.10634	6.5
193.04930	2.4
199.05939	3.4
199.09586	7.1
203.10464	1.4
217.12213	5.2
223.06001	7.5
241.06979	8.7
245.11665	4.6
259.08145	5.6
263.12991	2.5
277.09262	2.0
281.13766	4.6
294.11920	2.0
299.10223	1.7
317.06516	1.5
479.13040	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	478.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45234	2.4
53.03933	4.3
55.01850	5.3
55.05486	3.6
55.46817	2.4
57.03432	26.3
59.04978	4.3
60.04517	2.2
61.02909	3.9
67.05512	4.7
69.03426	80.1
69.07063	4.6
69.69170	9.0
69.69601	7.8
71.04970	3.1
73.02913	15.6
73.51833	2.3
75.04449	2.4
79.05488	9.2
81.03426	4.8
81.07045	13.0
83.04997	3.6
85.02900	60.4
87.04461	55.3
91.05465	13.5
92.30980	2.7
93.07039	44.9
95.04977	15.4
95.05468	2.9
95.08613	5.3
97.02885	64.3
99.04456	4.2
105.07021	14.6
107.04942	5.1
107.08578	30.7
109.02840	3.3
109.06522	3.3
109.10133	4.3
111.04430	3.6
115.03918	95.0
119.04943	4.9
119.08580	9.7
120.09114	2.2
121.06487	2.5
121.10133	62.4
123.04431	5.7
123.08103	2.8
123.11732	2.6
127.03914	12.2
131.08566	2.4
133.04953	100.0
133.10075	6.5
135.04434	2.8
135.08040	2.8
137.05959	6.9
139.11153	3.1
145.04926	10.0
145.10072	4.1
147.04436	4.4
147.08058	2.9
147.11635	3.2
149.09651	15.3
149.13255	26.6
150.07632	5.3
151.07484	5.5
162.07605	3.2
165.05441	3.7
165.09132	4.0
167.07016	4.6
167.10657	27.8
171.11658	3.5
175.07610	3.1
175.11266	2.9
177.05496	5.4
191.07040	7.2
191.10660	6.4
195.06520	2.4
199.11134	2.7
217.12233	3.2
241.07216	2.4
277.09000	3.0
306.09814	2.6
317.06549	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01862	1.6
55.05500	4.5
57.03416	2.4
57.07056	2.6
57.21455	0.8
61.02909	1.8
63.36079	0.7
65.03933	0.8
67.05485	2.1
69.03411	5.4
69.07058	11.2
69.21286	0.7
69.93239	4.3
71.04997	6.0
71.31291	0.6
73.02905	8.1
77.03896	0.7
79.05480	6.8
79.24702	0.7
81.03404	2.4
81.07050	5.3
81.41983	0.7
83.08595	0.8
85.02898	11.3
87.04455	1.4
91.05475	13.8
93.07033	43.2
95.04943	3.6
95.08596	2.8
97.02879	5.2
97.10158	0.8
100.11320	0.7
102.57715	0.7
103.05488	1.6
105.07021	13.4
107.08580	63.0
107.33629	0.7
109.06498	2.4
109.10162	1.7
111.23227	0.9
115.03925	3.2
119.08562	3.5
120.39376	0.8
121.10128	100.0
122.10463	1.7
123.04441	1.8
123.08051	2.1
123.11681	1.3
127.03919	1.6
129.05447	2.8
131.08612	0.9
133.04964	3.7
133.06557	0.9
133.07661	0.9
133.10085	1.6
135.04347	1.0
135.11681	2.8
137.05971	2.4
145.04884	0.7
145.33675	0.8
147.04395	1.8
147.06512	1.4
147.08060	1.3
147.11684	1.0
149.05984	0.8
149.13240	86.8
150.07646	1.1
150.13643	1.2
151.07509	1.0
159.11682	0.9
167.07034	1.7
167.10727	0.8
167.14304	1.6
173.43863	0.8
177.05460	1.5
223.05455	0.7
317.06555	1.6
329.33911	0.8
386.23798	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.05505	3.9
57.03431	3.6
57.07063	3.2
61.02905	1.5
65.03945	1.1
67.05490	2.7
69.03427	5.5
69.07062	9.0
71.04995	8.3
73.02914	8.6
79.05490	6.8
81.03421	1.5
81.07041	4.4
85.02903	12.5
85.06569	1.0
87.04453	2.3
91.05470	12.9
91.16448	1.0
93.07037	46.2
95.04953	3.3
95.08611	3.7
97.02892	4.4
98.20741	2.7
103.02210	0.9
105.07023	14.6
107.04911	1.3
107.08585	62.9
109.06512	2.8
109.10204	1.3
115.03915	4.7
119.08575	3.2
119.09394	0.9
121.10135	100.0
123.04409	1.8
123.08074	2.2
127.03903	2.0
129.05470	3.1
133.04951	4.3
133.10098	1.1
135.11703	2.4
137.05988	1.8
145.04942	1.4
147.04379	2.6
147.06477	1.8
147.11665	1.2
149.13248	80.4
150.07616	1.1
167.06998	1.5
167.10675	1.2
167.14267	1.2
173.03127	1.0
177.05429	1.8
229.33322	1.4
430.13150	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2926
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03933	1.0
55.01864	0.5
55.05512	11.6
57.03436	7.5
57.07073	2.1
62.06065	0.6
65.03922	0.6
67.05501	26.0
69.00020	0.3
69.07064	16.9
69.87299	1.9
71.04987	1.1
71.08628	0.8
79.05489	8.9
81.07050	26.7
82.07376	0.5
83.04963	1.2
83.08128	0.7
83.08608	8.2
85.06543	0.8
91.05470	4.6
93.07038	6.3
95.04969	0.6
95.08598	19.2
97.06511	1.7
97.10161	3.6
98.06030	0.7
98.10532	0.4
98.98459	0.5
99.08100	0.4
105.07025	3.6
105.49660	0.3
107.08593	4.0
109.10145	7.2
111.08086	1.1
111.11742	0.4
119.08576	2.3
121.10117	2.8
123.08075	0.5
123.11655	2.7
124.01572	0.8
125.09638	0.4
133.10123	3.1
135.11682	1.5
137.13223	1.3
147.11659	1.7
149.13235	1.0
151.11142	0.4
151.14835	0.4
161.13249	0.9
163.14867	0.6
165.09181	0.3
175.14781	0.7
198.05305	0.8
245.22557	0.4
263.23615	1.1
306.27924	5.5
337.27344	100.0
338.27661	5.0
383.93207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2926
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03939	1.4
55.05508	14.4
57.03439	5.0
57.07060	2.3
62.06086	30.2
67.05502	28.2
67.05776	0.5
69.06724	1.3
69.07068	14.7
71.04997	0.9
71.19457	1.8
79.05486	8.5
81.07049	28.8
83.08614	7.3
85.05305	1.0
85.71820	0.7
91.05476	4.9
93.07039	10.2
95.04984	1.1
95.08604	20.1
97.06541	1.0
97.10172	2.7
97.12972	0.9
98.06051	3.4
98.21284	0.9
98.98457	10.3
99.08054	1.0
105.07031	3.5
107.08569	4.3
109.10142	7.0
111.08088	1.1
119.08588	3.1
121.10140	3.5
123.11701	3.6
124.01607	2.8
133.10158	2.6
135.11703	2.0
137.13280	1.3
142.02644	1.0
149.13318	1.5
155.01050	6.4
161.13251	1.3
163.14859	1.8
165.08987	0.8
173.02071	1.9
175.14783	1.9
198.05212	2.1
216.06349	3.0
245.22675	2.3
263.23706	6.1
306.27902	34.2
307.28152	1.5
319.26245	1.3
337.27341	100.0
338.27667	4.5
357.91422	0.7
460.28113	3.0
478.29065	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0816
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
55.01855	0.6
57.03431	1.7
58.86066	0.2
65.03921	0.4
67.01828	0.3
68.99783	1.1
69.03424	0.5
71.01340	2.0
71.19094	0.4
71.19447	0.5
73.02564	0.3
73.02918	3.5
75.04456	0.4
81.03419	0.4
82.20222	0.3
85.02901	10.1
89.02336	0.3
92.15099	0.2
94.16994	0.2
95.01322	1.4
95.04966	0.4
95.08589	0.3
97.02870	0.6
99.00803	0.8
101.02358	0.7
102.12971	0.3
103.03908	0.6
105.07000	0.3
109.02869	0.6
111.00803	1.4
113.02367	3.3
121.02854	1.4
127.03964	0.3
131.03386	2.3
135.65425	0.3
137.02333	4.8
137.05923	0.3
141.01816	1.7
144.47227	0.3
145.06487	0.4
147.04381	0.3
148.91335	0.3
149.02339	0.9
153.01810	5.5
155.04778	0.3
159.02846	2.2
161.05931	0.5
163.03931	0.9
165.01833	2.5
166.02623	0.4
173.05966	0.5
179.03395	0.3
183.02899	0.8
183.04376	0.6
201.05432	2.5
203.40695	0.3
228.04189	0.4
229.04958	5.7
232.39200	0.3
232.82182	0.3
247.06020	0.7
257.04446	2.9
258.04895	0.3
274.04715	1.0
285.03906	1.7
303.04965	100.0
304.05267	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	479.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01875	0.5
57.03431	1.0
57.07070	0.6
58.07409	0.1
59.04973	0.1
61.02924	2.5
65.03943	0.3
68.99801	0.3
69.03424	3.9
69.14510	0.1
71.01350	0.1
71.04996	0.6
71.52187	0.1
71.52647	0.1
71.88740	0.1
73.02912	0.5
73.22825	0.1
79.05482	0.1
81.03415	1.9
83.01347	0.2
85.02899	10.5
85.06538	0.2
86.03241	0.1
87.04460	0.4
91.03960	0.9
92.02615	1.3
93.03401	1.4
93.03976	0.1
93.07043	0.1
95.08648	0.1
97.02882	4.2
99.04454	0.6
109.02866	1.4
111.00811	0.2
115.03944	0.1
121.02858	1.2
122.03600	0.1
123.04440	0.2
126.03121	0.4
127.03900	2.0
131.04936	0.1
133.02838	0.1
137.02312	0.2
137.05980	0.3
139.03891	1.0
145.04950	1.4
145.06554	0.1
147.04372	0.2
149.05992	0.1
150.03111	0.1
151.03885	1.0
153.01814	9.4
154.02251	0.1
155.04930	0.1
161.05980	0.1
163.03882	0.2
164.07063	0.1
165.01836	0.7
166.02623	0.2
173.06001	0.2
177.05504	0.5
179.03403	0.1
183.02962	0.2
183.04428	0.1
187.03992	0.2
189.05504	0.1
190.06273	0.1
191.03383	0.1
200.04707	0.4
201.05455	0.9
203.03307	0.6
204.04079	0.2
208.21271	0.1
217.04938	1.4
218.05737	0.7
219.02870	0.3
228.04152	1.8
229.04944	4.6
229.10677	0.2
231.02785	0.6
232.03763	0.1
233.04356	0.1
239.03271	0.1
243.06488	0.2
245.04411	1.7
246.05194	2.2
247.11797	0.2
248.12071	0.1
256.03671	0.3
257.04416	2.8
260.03174	0.6
261.07513	0.3
271.06061	0.2
273.03888	2.4
274.04700	4.6
275.05328	0.1
284.03183	0.6
285.03915	5.2
286.04605	0.3
287.01981	0.2
288.06509	0.1
299.05441	0.1
301.03403	0.2
302.04190	13.8
303.04596	0.4
309.10031	0.1
315.04901	0.1
317.06525	100.0
318.06906	2.2
329.06528	0.5
329.63010	0.1
359.07538	0.4
362.12363	0.1
383.07367	0.2
461.10428	0.1
479.11771	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	479.1179
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03936	0.6
53.12467	0.4
57.03428	0.6
61.02912	1.5
61.37875	0.4
65.03933	0.4
69.03422	2.9
69.47732	3.7
69.48063	0.8
71.04984	0.7
71.90350	0.4
73.02888	0.5
79.76443	0.4
81.03406	1.5
85.02424	0.7
85.02898	8.9
91.03921	0.8
92.02598	1.2
93.03424	0.8
97.02884	3.9
99.04424	0.7
105.86480	0.4
109.02860	1.2
114.03388	0.5
121.02814	0.6
126.03078	0.5
127.03870	1.7
134.32402	0.5
137.02396	0.5
139.03880	0.6
145.04906	1.4
151.03845	0.5
153.01816	6.8
165.01663	0.5
200.04645	0.5
201.05463	0.7
217.04918	0.9
228.04161	1.3
229.04953	2.8
231.02983	0.5
245.04463	1.3
246.05272	1.2
257.04462	1.5
264.73169	0.4
273.03906	1.1
274.04660	4.5
285.03931	4.3
302.04181	11.3
317.06525	100.0
318.06845	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	479.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
67.05505	1.1
69.03412	2.6
69.07058	0.9
71.52277	0.9
71.52657	1.0
72.95567	0.8
74.90633	0.7
79.05483	2.1
81.03423	4.0
81.07048	1.5
85.02888	3.3
89.03915	8.1
91.05462	5.5
93.07044	2.9
95.04951	2.0
95.08592	1.4
97.02890	1.4
100.59291	0.8
103.05494	1.1
105.07027	2.1
107.04955	2.2
107.08602	2.5
109.02887	2.2
109.06496	1.7
109.10120	0.7
111.04415	1.0
117.03373	18.5
119.04920	1.4
119.08597	1.0
121.06487	0.9
121.10120	1.3
122.03633	1.7
123.04428	2.1
123.08104	1.3
125.30800	0.7
127.03967	0.9
129.06966	1.3
131.04967	1.3
133.02838	2.6
134.03654	1.8
135.04391	3.4
135.08073	1.6
137.05962	18.2
141.05466	4.6
145.02835	50.1
145.06438	1.1
145.10173	0.7
147.04408	1.5
149.02301	3.8
149.05956	7.6
149.09575	0.9
151.03932	1.3
151.07530	10.7
153.05466	1.3
161.05995	4.3
161.09674	0.8
163.03893	21.6
163.07594	1.1
163.85599	0.9
165.05440	5.3
171.54689	0.7
175.07501	1.9
177.05463	100.0
178.05800	1.3
181.04988	1.1
183.06538	2.1
186.05489	1.3
187.63655	0.9
189.05318	1.0
189.09096	2.4
193.05016	1.5
195.06529	1.1
195.10168	3.5
196.29568	0.8
203.06912	1.3
203.26103	0.7
205.06458	1.1
207.06552	1.5
207.10121	1.1
219.08162	1.0
231.06487	1.9
237.09221	1.3
249.07378	1.0
253.08702	1.1
254.39580	0.8
263.09311	0.9
265.08496	2.2
283.09729	0.9
285.11243	1.3
297.11154	2.3
303.05045	1.0
317.06573	6.3
321.09647	2.8
339.10825	2.0
426.15512	0.9
479.18683	1.2
500.99438	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
67.05505	1.1
69.03412	2.6
69.07058	0.9
71.52277	0.9
71.52657	1.0
72.95567	0.8
74.90633	0.7
79.05483	2.1
81.03423	4.0
81.07048	1.5
85.02888	3.3
89.03915	8.1
91.05462	5.5
93.07044	2.9
95.04951	2.0
95.08592	1.4
97.02890	1.4
100.59291	0.8
103.05494	1.1
105.07027	2.1
107.04955	2.2
107.08602	2.5
109.02887	2.2
109.06496	1.7
109.10120	0.7
111.04415	1.0
117.03373	18.5
119.04920	1.4
119.08597	1.0
121.06487	0.9
121.10120	1.3
122.03633	1.7
123.04428	2.1
123.08104	1.3
125.30800	0.7
127.03967	0.9
129.06966	1.3
131.04967	1.3
133.02838	2.6
134.03654	1.8
135.04391	3.4
135.08073	1.6
137.05962	18.2
141.05466	4.6
145.02835	50.1
145.06438	1.1
145.10173	0.7
147.04408	1.5
149.02301	3.8
149.05956	7.6
149.09575	0.9
151.03932	1.3
151.07530	10.7
153.05466	1.3
161.05995	4.3
161.09674	0.8
163.03893	21.6
163.07594	1.1
163.85599	0.9
165.05440	5.3
171.54689	0.7
175.07501	1.9
177.05463	100.0
178.05800	1.3
181.04988	1.1
183.06538	2.1
186.05489	1.3
187.63655	0.9
189.05318	1.0
189.09096	2.4
193.05016	1.5
195.06529	1.1
195.10168	3.5
196.29568	0.8
203.06912	1.3
203.26103	0.7
205.06458	1.1
207.06552	1.5
207.10121	1.1
219.08162	1.0
231.06487	1.9
237.09221	1.3
249.07378	1.0
253.08702	1.1
254.39580	0.8
263.09311	0.9
265.08496	2.2
283.09729	0.9
285.11243	1.3
297.11154	2.3
303.05045	1.0
317.06573	6.3
321.09647	2.8
339.10825	2.0
426.15512	0.9
479.18683	1.2
500.99438	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.9
53.03930	2.0
55.01867	1.6
55.05499	2.9
57.03428	1.7
65.03928	2.7
66.04707	1.3
67.05502	5.4
67.81067	0.7
69.03420	4.5
69.07070	4.4
71.04977	0.8
71.52641	0.7
75.43333	0.6
77.03903	0.8
78.51533	0.7
79.05491	6.6
81.03391	2.4
81.07050	8.8
83.04976	1.4
83.08626	0.8
85.02896	4.3
87.04450	1.2
90.84586	0.7
91.05470	22.7
91.13197	0.6
93.07040	8.6
94.04172	3.3
95.04947	4.8
95.08595	6.8
97.02872	2.9
97.06502	1.1
97.10155	0.9
99.04441	1.0
103.05450	3.0
105.07034	8.0
107.04925	5.7
107.08595	6.9
108.05729	2.6
109.02886	1.4
109.06489	5.1
109.10132	3.4
111.04406	1.6
115.03899	2.0
115.05410	5.3
116.06257	1.0
117.03362	0.8
117.07027	4.7
119.04930	9.2
119.08576	4.9
121.02824	0.8
121.06502	6.3
121.10112	3.8
122.03643	8.2
123.04419	8.3
123.08063	7.6
123.11705	2.0
125.09635	1.4
127.03938	1.5
128.06192	2.6
129.07021	6.1
131.04889	2.6
131.08560	3.2
133.04955	2.1
133.06506	2.3
133.10138	3.4
135.04407	2.6
135.08075	3.3
135.11688	2.9
136.05151	3.6
137.02344	1.6
137.05962	100.0
138.06296	2.4
139.03885	1.2
143.04886	2.5
143.08586	0.9
145.06473	3.3
145.10106	2.0
146.03589	1.4
146.07253	1.6
147.04381	3.0
147.07983	1.5
147.11668	1.7
149.05939	4.1
149.09602	2.4
149.13258	3.8
150.06796	0.9
151.03922	6.9
151.07523	66.6
151.11197	1.5
152.07846	1.3
153.05443	1.0
153.06947	1.0
157.06453	5.5
158.07263	0.9
159.04387	1.1
159.08020	1.9
161.05965	22.6
161.09561	4.1
161.13298	1.4
162.06709	1.0
163.03922	2.3
163.07524	6.7
165.05473	4.3
165.06989	2.6
165.09093	7.1
167.07034	3.0
167.08464	1.6
173.05931	0.7
173.13257	1.6
174.06770	2.8
175.07558	7.6
177.05466	2.2
177.06987	2.4
177.09081	8.0
178.07730	1.1
179.08537	1.9
181.04875	1.8
181.06496	2.7
181.37482	0.8
182.07146	1.8
183.08069	0.7
187.07547	2.9
187.14995	0.9
189.05566	1.5
189.09085	13.6
190.07758	0.8
191.06987	1.1
191.08557	1.7
191.10611	1.0
193.06572	1.8
193.08488	1.0
194.07236	2.7
195.08153	2.9
195.10129	34.7
196.10526	0.8
197.06029	1.3
199.07538	2.0
201.12769	0.9
203.11079	0.8
205.06471	4.7
205.08501	1.4
206.07216	0.9
207.08159	1.4
207.10049	8.3
209.05969	2.0
209.07838	1.0
209.09731	0.8
210.06752	1.9
211.07552	1.6
213.09138	1.2
218.07176	1.3
219.08041	2.9
220.08917	0.7
221.05975	1.8
222.06773	2.6
223.07529	2.3
224.08284	1.6
225.05403	0.9
225.09061	2.6
227.07005	0.9
227.10522	1.2
233.05989	3.3
233.09764	0.9
234.06721	2.1
235.07523	2.6
236.08293	1.5
237.05318	1.0
237.09053	7.5
238.06155	1.6
239.07011	2.0
239.10587	1.7
240.07899	1.6
241.08366	1.6
243.10246	1.1
245.09726	1.7
247.07567	1.4
248.08304	1.0
249.09128	2.0
250.06146	2.4
251.07091	2.2
251.10582	1.8
252.07866	1.6
253.06041	1.0
253.08340	5.0
255.06448	1.1
255.10106	1.0
261.09103	1.1
263.06891	1.1
265.08566	18.1
266.09225	1.8
267.06451	1.0
267.10172	4.5
268.07312	2.2
269.08069	3.0
269.11758	1.6
271.09628	1.3
273.11243	2.3
277.08624	2.4
277.12119	1.1
279.10178	2.9
282.08868	0.9
283.09604	7.1
284.10361	1.9
285.11215	12.2
287.12866	1.5
293.11703	1.0
297.11215	19.8
298.11975	1.6
299.12610	2.4
305.11655	2.8
309.11279	1.9
311.12820	12.3
311.16220	1.2
313.07486	0.7
317.06525	3.1
317.10315	1.3
317.13864	6.9
323.12680	3.2
327.15836	1.9
337.14453	4.3
341.13748	2.1
355.15402	1.9
403.15460	1.8
429.16843	1.2
433.16559	1.0
435.18115	1.1
447.18182	1.6
461.13596	0.9
461.19318	3.9
479.14548	1.3
479.20407	6.4
479.26425	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	479.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.05497	6.7
60.43357	2.8
60.43657	2.9
67.05504	20.2
69.07069	19.0
71.52629	3.7
71.53021	4.2
79.05477	18.0
81.03400	4.9
81.07049	100.0
83.08613	5.2
91.04984	3.3
91.05450	15.5
93.07047	14.2
95.04955	5.8
95.08585	7.5
103.05452	14.1
105.07033	11.8
107.04945	7.1
107.08596	7.0
109.10152	29.0
117.07034	5.4
119.08550	3.4
121.06490	43.3
121.10136	11.4
123.04427	3.2
123.08036	4.6
123.11667	4.1
128.06206	5.4
129.06996	12.2
131.04938	10.4
131.08560	10.3
133.10117	8.2
135.08060	6.4
135.11670	4.0
137.05980	11.0
139.07500	3.8
142.07805	5.7
143.08543	7.2
145.06461	12.6
147.04346	3.6
149.05959	79.5
149.09718	5.4
151.07513	20.1
155.08543	7.5
156.09299	3.8
157.06538	6.8
157.10124	9.7
158.07298	8.3
159.08032	17.3
159.11710	4.1
161.05959	16.8
161.09648	5.3
163.07523	22.6
163.73441	2.8
165.09134	5.3
167.07014	9.9
169.10085	6.6
171.08092	5.8
172.08833	19.5
173.05975	7.0
173.09575	16.2
174.06735	9.4
175.07564	19.3
177.05455	58.3
177.09000	17.3
179.07036	4.8
179.08534	5.6
181.08617	7.5
186.10291	4.9
187.07541	14.8
187.11188	6.0
188.08324	14.0
189.09074	85.7
191.07074	7.1
191.10646	18.7
195.06517	24.1
197.09631	7.0
199.07648	4.2
201.09062	24.9
202.09868	14.5
203.10617	25.5
205.12170	20.9
207.06532	5.6
207.10155	6.6
211.11177	7.0
213.09042	4.2
214.09805	6.1
215.10649	69.6
216.11473	4.0
217.12210	47.7
219.13794	8.3
219.60712	2.9
227.10638	5.4
229.08606	8.1
229.12222	46.4
231.13774	36.3
233.08041	39.3
235.09641	50.8
243.06511	3.1
243.10168	33.0
243.13785	8.3
245.11690	4.1
247.09668	4.9
257.11700	10.8
261.11343	6.0
269.15466	3.9
271.16870	43.4
283.16922	4.9
284.17868	5.6
285.09918	7.1
299.16367	13.4
300.95807	3.2
306.14398	3.0
315.10733	6.8
324.11594	4.8
373.55670	3.6
397.16385	11.6
433.23300	4.4
461.23126	9.3
479.24374	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.5
55.01853	5.7
55.05262	3.1
55.05505	28.9
57.03441	12.8
65.03928	5.4
67.05497	81.3
69.03408	2.9
69.07056	29.2
69.18020	10.3
69.18443	17.1
71.04977	7.3
71.08611	2.1
79.05148	2.3
79.05483	69.2
81.03410	48.3
81.07047	100.0
81.07525	5.3
83.04975	17.2
83.08618	28.9
85.02888	19.7
85.06532	5.3
91.05467	55.1
93.07031	62.1
95.04955	30.8
95.08601	34.7
97.02859	3.5
97.06511	14.7
97.10155	4.7
99.08101	4.7
101.15127	2.3
105.07016	33.2
107.04945	8.7
107.08582	35.8
109.06506	9.1
109.10154	9.4
111.04418	2.6
111.08083	12.6
115.20918	2.3
117.07025	9.1
119.04893	2.8
119.08556	22.2
121.06478	6.0
121.10117	19.2
123.11676	4.8
125.09627	2.7
129.07001	10.5
131.08539	18.7
133.06502	2.9
133.10132	19.5
135.04462	2.8
135.08075	5.0
135.11671	11.5
137.05948	3.0
137.09634	2.9
145.10143	4.8
147.11636	15.2
149.09628	5.4
149.13252	30.1
151.07529	9.3
157.10132	9.2
159.08003	2.5
159.11688	12.9
165.09041	4.9
165.12741	3.5
175.07582	3.0
175.11156	11.7
177.05455	3.2
177.12732	7.0
192.50571	2.7
193.12234	47.7
195.13858	11.7
201.08995	2.9
211.13255	46.5
218.59204	2.1
267.15842	3.6
269.17566	4.8
303.05032	2.8
317.06378	2.5
369.24026	3.5
387.25247	3.8
394.52176	2.3
443.27121	2.6
461.28995	11.1
461.35165	2.7
479.14117	2.5
479.19986	6.6
479.24249	3.0
479.29965	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.2
53.41296	1.9
55.01861	6.7
55.05509	25.7
57.03426	14.2
57.07064	3.0
57.12114	1.9
57.36964	2.1
65.03917	3.4
67.05502	85.5
69.03429	4.5
69.06734	2.2
69.07069	29.3
69.55752	12.8
71.04978	9.4
74.30138	2.3
79.05490	60.3
81.03414	55.1
81.07052	100.0
83.04979	19.2
83.08622	27.4
84.03671	1.8
85.02907	27.5
85.06529	5.5
91.05479	49.9
93.07043	62.4
95.04970	33.8
95.08602	31.0
97.02872	3.8
97.06518	15.7
97.10160	4.1
98.20812	4.1
99.08086	5.2
105.04486	2.7
105.07009	31.2
107.04919	7.4
107.08593	30.7
109.02868	2.4
109.06516	6.4
109.10130	8.7
111.04496	2.8
111.08060	15.4
113.06026	3.7
115.05438	3.5
117.06992	11.7
119.08582	21.8
121.06501	6.9
121.10146	23.1
123.11716	6.7
125.09626	2.9
126.71381	1.8
129.06982	11.9
131.08562	21.4
133.06464	2.1
133.10144	20.5
135.08044	3.7
135.11684	10.8
145.10086	4.0
147.08005	3.4
147.11656	19.4
149.05978	3.2
149.09622	8.1
149.13260	30.7
157.10127	8.6
159.11662	14.8
165.12764	3.8
175.11162	14.2
177.12787	3.7
193.12248	57.3
195.10115	2.0
195.13789	10.7
211.13268	64.0
267.15939	5.2
269.17355	8.0
272.37207	2.0
284.49765	2.1
317.06387	2.8
369.24255	4.5
387.25235	2.6
461.29092	6.6
479.29941	84.2
480.30862	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	479.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.6
53.54073	1.9
55.01856	6.0
55.05263	2.2
55.05511	30.8
56.96556	4.5
57.03438	14.6
57.07070	2.5
61.02921	4.2
65.03926	6.4
67.05500	82.9
69.03415	5.9
69.07064	24.8
71.04967	8.6
73.02895	3.9
79.05487	68.3
81.03410	58.9
81.07052	100.0
83.04967	18.6
83.08611	28.6
85.02417	2.9
85.02898	32.8
85.06543	5.1
89.89551	1.8
90.22698	2.0
91.05473	54.4
93.06474	3.5
93.07038	65.5
93.07624	3.5
95.04964	40.7
95.08602	31.6
97.02870	5.9
97.06535	11.8
97.10146	8.3
99.08093	3.8
105.07019	34.4
107.04926	6.4
107.08585	39.3
109.06490	9.0
109.10125	8.3
111.04433	3.7
111.08075	15.0
113.05988	4.3
117.06992	14.7
119.04966	2.5
119.08561	23.0
121.06483	5.9
121.10120	22.3
123.08101	4.4
123.11703	5.3
125.09613	5.6
128.06099	2.4
129.07010	11.3
131.08534	19.4
133.06491	5.3
133.10126	26.4
135.08035	3.0
135.10719	2.6
135.11621	11.1
137.09653	2.7
145.10106	6.4
147.08049	4.7
147.11664	15.7
149.05980	4.1
149.09581	7.7
149.13246	22.3
151.07477	3.3
157.10091	15.1
159.11710	13.8
163.11186	1.9
165.09053	3.7
165.12689	4.0
167.06805	1.9
173.09796	1.8
173.13332	2.2
175.11205	13.9
177.05531	2.9
177.12726	7.3
189.09064	2.8
193.12225	52.4
195.12230	1.9
195.13780	13.7
203.05763	1.9
209.09596	2.2
211.11299	3.9
211.13269	58.5
229.50900	2.4
243.08804	2.8
267.09088	9.7
267.15845	4.8
269.10391	3.5
269.17484	2.8
285.10110	13.8
324.11411	3.0
343.22556	2.9
351.22858	2.7
367.17700	2.6
369.24240	2.5
387.25140	4.3
461.28595	6.8
479.30600	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.5
55.01862	4.6
55.05267	2.0
55.05510	31.0
57.03437	13.2
58.57898	1.6
65.03927	5.1
67.05499	85.4
69.03416	5.4
69.07063	28.4
71.04976	8.6
79.05009	1.8
79.05483	61.5
81.03414	47.9
81.07047	100.0
83.04990	17.7
83.08609	34.3
85.02895	22.3
85.06535	7.8
91.04888	3.2
91.05476	60.6
93.07034	69.2
95.04951	32.5
95.08598	31.3
97.02830	2.0
97.06519	14.8
97.10159	6.0
99.08102	3.4
104.34262	1.7
105.07018	33.3
107.04947	6.8
107.08590	36.9
109.06512	6.7
109.10140	6.8
111.04437	2.2
111.08084	14.7
113.06002	4.2
115.05448	2.3
117.06997	11.3
119.08566	21.8
121.06509	4.7
121.10131	24.8
123.08046	4.3
123.11714	4.7
125.09650	2.6
129.06990	13.0
131.08571	21.5
133.06523	5.4
133.10112	22.7
135.04382	1.8
135.08029	2.6
135.11708	11.6
137.05971	5.8
137.09607	2.4
139.11209	2.7
145.06509	1.7
145.10095	3.1
147.08064	3.1
147.11662	15.9
149.09622	4.8
149.13243	30.9
149.14360	2.4
151.07570	4.9
151.22092	1.5
155.08536	2.1
157.10141	11.8
159.11681	13.4
163.07545	2.1
163.11189	1.9
165.09132	6.8
165.12740	6.4
175.11182	14.1
175.58739	1.8
176.48053	1.7
177.12752	7.1
179.10767	1.8
183.08311	1.8
193.12238	54.4
195.13795	14.6
211.13268	58.6
213.14757	2.1
227.12752	2.0
267.15942	8.8
269.17462	6.4
273.04102	3.0
309.11087	1.9
315.15900	4.1
317.06812	3.1
369.24207	4.6
387.25134	4.0
391.93350	1.7
458.14777	1.8
461.29041	9.3
479.30072	94.1
480.30371	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	479.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	13.9
55.01851	12.6
55.05274	2.7
55.05507	43.6
57.03432	30.7
57.07053	8.0
61.02910	2.8
65.03928	7.7
67.05495	87.8
68.42137	2.7
69.03420	45.0
69.07059	27.6
69.91903	16.5
71.01337	4.2
71.04984	6.2
73.02885	7.9
75.04468	3.4
79.05481	70.3
81.03406	47.7
81.06590	6.0
81.07046	100.0
83.04974	20.2
83.08170	3.3
83.08605	23.3
85.02889	28.6
85.06522	3.4
85.85912	2.5
87.04469	4.4
91.05472	70.8
93.07028	80.9
95.04951	21.6
95.08595	49.9
97.02863	13.9
97.06489	8.5
97.10149	6.1
98.21426	4.0
99.04422	10.3
99.08121	3.3
102.09633	3.8
103.03904	5.4
103.05391	3.5
103.22865	2.6
105.07024	56.5
107.04937	17.1
107.08578	42.5
109.02882	15.5
109.06512	13.3
109.10142	24.6
111.04427	6.9
111.08060	10.3
115.04019	2.9
115.05428	3.6
117.07004	32.0
119.08556	39.1
121.06476	8.9
121.10134	27.3
123.08027	8.6
123.11685	5.7
125.09615	5.2
127.03876	19.1
128.06181	8.4
129.05460	9.1
129.06943	15.6
131.08548	43.3
133.06459	10.0
133.10107	31.8
134.64821	3.1
135.08028	9.5
135.11678	19.4
137.05940	7.9
137.09576	5.1
139.11124	3.6
141.07024	5.0
142.07758	5.2
143.08551	17.8
145.06448	6.5
145.10120	21.4
147.08012	7.9
147.11664	28.1
149.05923	9.4
149.09589	8.3
149.13251	16.2
151.07512	12.4
151.11182	4.2
155.08470	6.8
157.06471	3.6
157.10117	18.2
159.08038	5.1
159.11685	21.7
161.05954	5.0
161.09541	3.6
161.13187	7.6
163.11134	4.3
163.14719	3.0
165.05431	4.6
165.09123	9.6
169.06590	2.8
169.09991	5.8
171.08038	3.2
171.11632	12.0
173.09502	3.7
173.13222	8.1
175.07452	3.9
175.11142	8.0
175.14903	5.6
177.08992	2.9
177.12686	3.3
179.08598	4.0
180.79173	3.3
181.10036	4.3
183.06487	4.8
183.11685	6.3
185.13211	8.5
187.11208	6.0
187.14803	9.0
189.08995	4.3
191.10526	4.6
191.14220	3.7
193.12192	22.7
195.11639	3.7
195.13748	4.3
197.13214	4.0
199.14841	4.9
199.91283	2.9
199.93042	2.9
201.07440	4.0
201.09145	3.1
203.10556	5.5
207.13702	3.5
211.11440	5.1
211.13248	20.2
211.14972	5.3
213.12627	3.1
215.10390	2.7
225.12651	3.3
229.12070	3.2
235.41348	2.6
261.22107	10.7
267.16013	4.9
273.22061	4.6
288.46161	2.8
303.23074	4.9
315.23203	6.1
317.06235	4.2
318.74066	3.2
327.23215	7.0
334.11514	2.8
341.24738	4.3
343.22784	3.9
345.24118	7.8
351.23108	8.7
369.24216	21.3
387.25107	11.2
419.27744	4.8
431.27826	3.7
443.28085	18.6
461.28842	38.8
479.24481	4.0
479.29965	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.6
55.01852	3.5
55.05506	15.6
57.07074	8.2
62.25940	1.3
65.03923	1.5
67.05495	7.3
69.07059	28.1
71.08617	7.2
79.05471	7.8
79.88297	1.1
81.07046	14.0
83.04987	1.5
83.08609	17.9
85.10160	1.7
91.05457	2.7
93.07042	3.4
95.04951	4.7
95.08598	14.4
97.02881	3.1
97.10151	12.5
104.95863	1.0
105.03390	3.2
105.07037	3.7
107.04933	8.1
107.08577	4.2
109.02859	6.4
109.10155	6.8
111.04420	1.9
111.11691	7.0
115.03939	2.3
119.08558	3.7
121.02766	1.3
121.06539	1.5
121.10139	2.1
123.04416	4.5
123.08021	1.3
123.11703	2.7
125.02347	15.4
125.13244	2.2
131.08574	1.9
133.02818	3.7
133.10088	2.2
135.04408	12.6
137.05968	3.4
137.13161	1.8
143.08513	1.5
145.06451	1.7
145.10066	2.0
147.04391	1.5
147.08018	1.7
148.85907	1.3
149.05940	1.6
149.09586	1.1
151.03893	15.2
151.07510	2.2
153.05450	3.4
157.10077	2.2
161.02339	10.2
163.07523	1.4
165.05409	4.2
167.03391	3.6
169.05011	1.9
175.07466	1.6
177.05304	1.3
177.09007	2.2
179.03368	11.7
179.07051	2.6
185.04425	8.2
189.09128	2.4
191.10596	1.3
193.04810	1.2
193.08609	1.9
197.04431	100.0
203.10680	2.6
211.06090	7.7
215.10593	1.4
221.11734	1.2
225.05423	1.1
225.07558	3.9
229.08858	1.2
229.56969	1.3
235.09660	1.8
236.85403	1.2
238.07043	1.7
239.09195	4.0
253.10661	7.5
265.10632	1.9
267.12219	5.1
278.22037	1.3
279.12250	1.2
281.13855	3.0
293.13638	1.9
295.15326	2.6
298.19583	1.1
307.00977	1.1
307.15329	1.3
309.16943	3.7
321.16925	1.3
323.18637	5.8
328.84515	1.2
335.18463	4.0
337.19931	2.9
349.20096	1.7
351.21677	2.3
363.21466	1.9
365.23224	2.3
379.24741	3.0
391.24744	2.4
461.32367	16.7
479.33521	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3728
Annotation	Dendronesterol A
Peak:m/z	Relative Intensity
55.05502	33.8
56.01559	10.9
57.07065	22.9
67.05505	26.8
69.07068	67.7
71.04966	15.8
71.08630	14.3
79.05502	12.5
81.07053	77.0
83.08604	56.4
84.79562	10.5
86.02334	10.8
89.06033	15.4
93.07024	11.8
95.08612	50.8
95.24452	10.6
97.10174	36.5
109.06498	12.7
109.10164	41.0
111.08051	15.8
111.11726	24.8
123.08041	17.7
123.11723	24.8
125.06003	39.7
127.03873	11.5
137.05959	65.8
139.07507	72.6
149.09682	15.0
149.95869	11.1
151.07565	37.8
162.94283	11.4
165.05464	16.7
165.09067	14.2
167.07002	31.8
175.11137	16.5
177.09109	100.0
179.07054	20.2
181.08665	15.1
187.57782	12.3
200.93579	13.7
253.11557	10.9
277.14096	13.6
327.25284	14.1
378.02542	12.0
381.01144	12.0
401.34222	18.4
415.35397	17.2
425.34357	19.8
443.35117	34.6
461.36368	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99855	5.9
54.58152	5.5
55.01884	7.2
55.05507	52.0
57.07064	28.1
67.05500	26.3
69.07063	76.0
69.91788	30.0
71.04984	26.4
71.08619	14.5
79.05504	10.4
81.07047	85.6
82.48865	6.3
83.08608	56.7
85.06557	6.9
85.10179	7.7
86.91541	6.2
89.06039	13.4
89.69888	5.7
93.07047	14.8
95.08604	71.9
97.10161	40.2
99.04452	16.2
107.08593	13.2
109.06541	15.1
109.10146	39.8
111.11714	26.8
119.08608	7.8
120.84942	6.3
121.10107	11.7
122.10411	6.1
123.11665	32.7
125.05987	92.7
125.13281	11.1
127.03910	28.8
137.05962	100.0
137.06958	9.4
137.13202	11.7
145.10155	7.7
149.13188	9.5
151.07541	11.1
151.14861	11.6
157.10152	7.2
159.11717	6.1
163.14790	6.9
165.02142	6.3
167.07028	53.6
171.11696	6.9
188.81232	6.2
189.12720	12.2
205.12328	9.9
213.12793	9.6
243.76416	5.8
397.34531	11.4
399.55350	6.2
443.35535	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	479.3728
Annotation	Dendronesterol A
Peak:m/z	Relative Intensity
55.05507	28.6
57.07066	44.4
67.05496	40.6
69.07055	34.0
70.56762	69.9
71.08628	40.4
81.07042	43.9
83.08612	29.8
85.00368	34.4
89.30013	20.4
92.01959	19.3
93.00268	19.6
93.07010	37.0
95.08586	49.0
107.04954	23.5
107.08578	25.3
109.10118	24.6
121.10098	24.7
264.07520	22.4
401.33948	25.7
425.33975	66.0
443.35049	100.0
461.35959	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	480.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.7
57.03431	10.3
61.02911	2.4
69.03405	2.8
69.66654	2.9
69.67069	7.4
71.04984	69.5
73.02892	2.3
75.04489	7.1
81.03419	2.3
83.04971	9.6
83.06120	1.3
85.02894	100.0
86.03223	1.3
87.04436	2.1
94.87522	1.7
95.04929	1.7
97.02883	5.5
98.21567	2.8
99.04481	1.7
109.02882	1.5
111.04426	5.9
121.02852	3.9
121.06463	1.9
122.81972	1.4
123.04440	6.9
127.03930	7.4
129.05463	42.5
135.04446	1.7
137.02344	8.8
145.04953	3.5
147.04434	3.3
147.06506	28.3
155.03342	12.2
163.03935	1.9
164.09227	1.8
229.80701	1.5
233.39391	1.7
354.18118	1.7
435.16092	1.7
468.47617	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.6
55.01865	14.4
55.05494	2.4
57.03173	2.6
57.03428	19.0
59.04985	5.0
59.29681	1.7
61.02917	17.4
67.05473	7.9
69.03420	47.8
69.07059	57.4
70.57160	6.5
71.01324	4.7
71.04980	4.0
73.02908	100.0
77.45879	1.7
79.05478	4.5
81.03379	7.0
81.07046	20.4
85.02894	96.6
87.04449	5.7
91.03951	4.1
91.05482	2.7
93.07019	6.1
95.04910	2.6
95.08571	6.2
97.02876	78.0
99.04433	3.5
103.03959	4.0
105.07027	2.4
107.08559	6.5
109.02851	8.7
109.06490	4.0
109.10149	12.4
115.03908	41.5
120.08058	2.5
121.10137	7.0
123.04409	2.8
123.11695	72.9
124.11981	3.0
127.03898	33.0
133.04950	47.5
135.04387	2.6
135.11630	3.3
137.05933	7.3
139.03874	2.0
144.06541	3.6
145.02902	2.5
145.04941	35.6
147.04395	2.3
148.91127	1.9
149.05939	2.5
149.09550	5.4
150.07518	2.8
151.11163	72.4
154.08572	2.2
157.04886	3.3
163.03911	2.2
163.05998	12.3
163.07193	2.0
165.05492	3.5
169.12265	11.9
177.05423	5.0
180.08575	3.8
217.06990	2.4
223.05991	6.3
241.07045	7.4
257.42328	1.9
259.08087	6.4
277.22687	1.9
283.15335	23.3
290.27460	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94791	3.4
54.01365	3.8
55.05507	8.3
57.03416	18.2
59.04988	5.0
67.05489	18.7
68.05839	5.4
69.03426	67.9
69.07056	42.1
71.04974	15.0
73.02907	6.8
79.05476	11.8
81.03386	11.8
81.07050	27.5
85.02895	75.0
87.04455	54.1
91.05482	21.9
92.05821	6.6
93.07047	15.2
95.04974	4.4
95.08600	23.7
97.02882	73.0
97.06535	4.8
97.10146	4.2
105.07007	13.3
107.04891	7.4
107.08590	15.2
109.02847	4.3
109.06509	4.8
109.10154	12.1
111.04445	8.0
115.03921	74.5
115.05402	4.1
117.07044	4.2
119.04916	10.2
119.08566	10.6
121.06537	7.5
121.10126	8.5
123.04442	9.9
123.08048	6.8
123.11702	52.1
127.03905	10.3
129.05482	10.1
129.07027	5.6
133.04962	80.8
133.10068	7.4
135.04433	4.2
135.11620	6.4
137.05971	100.0
138.06313	32.4
139.03893	6.7
145.04922	9.2
145.09998	5.7
147.04355	10.2
151.03877	7.5
151.07539	47.5
151.11166	42.3
152.07857	24.2
161.05991	20.9
161.09663	5.4
162.06311	8.5
163.03865	5.1
163.07497	6.4
165.05559	5.3
169.12257	8.2
175.07561	5.5
177.09125	10.1
189.09015	7.0
190.09419	6.4
191.10323	4.3
193.12144	4.4
195.10184	20.2
196.10506	16.7
206.06982	5.0
207.10123	4.9
208.10570	4.1
220.72124	4.3
236.07895	4.3
247.13142	5.6
265.08551	5.9
266.08954	11.4
277.08582	4.4
278.08539	4.4
283.15521	6.7
284.09933	5.0
285.11072	7.0
286.11478	5.6
297.11203	8.5
298.11523	10.7
306.12076	5.6
311.12891	7.7
312.13159	7.7
318.14148	7.5
362.11142	4.3
480.27060	5.0
502.65259	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	481.0965
Annotation	CHEBI:75813
Peak:m/z	Relative Intensity
53.03952	0.8
55.01866	1.0
56.16412	0.7
57.03426	0.8
60.34760	0.7
61.02906	1.2
63.13273	0.7
64.11686	0.7
67.05497	1.0
68.99776	0.9
69.03406	3.3
69.58648	4.5
71.04993	1.0
73.02900	0.7
79.05494	0.9
81.03385	2.0
81.07037	1.5
85.02898	9.3
90.48389	0.7
91.05455	0.8
93.07011	1.0
95.04937	1.1
97.02880	4.5
109.02862	1.7
109.06448	0.7
109.10143	1.0
111.08049	1.4
112.15478	0.7
119.08573	0.9
121.10145	0.8
123.00751	0.8
123.04411	3.1
123.08002	1.3
123.11723	0.9
127.03894	3.0
137.02333	10.6
137.05952	8.2
139.82326	0.8
141.05487	0.7
145.04927	1.7
147.04404	4.7
150.42372	0.8
153.01796	3.6
153.05447	22.1
161.06013	1.0
169.01282	4.1
169.12157	1.6
170.12576	1.0
171.04359	1.3
177.05414	1.8
179.07027	2.3
181.56325	0.8
199.03877	1.7
217.04942	3.4
236.28215	0.7
245.04405	6.8
255.03029	1.1
263.05414	1.0
273.03900	7.9
301.03387	8.0
309.11099	0.8
317.06476	3.7
319.04446	100.0
319.11862	3.0
320.04739	2.7
421.09094	1.2
433.82849	0.8
481.11234	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	481.0972
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
55.01860	0.9
57.03412	0.9
61.02928	2.4
68.38436	0.4
68.99773	1.5
69.03419	3.3
70.97695	0.8
70.98036	0.7
73.02912	0.9
81.03416	2.4
85.02428	0.8
85.02899	9.3
87.04439	0.7
91.03917	1.3
97.02879	4.1
109.02874	2.3
111.00766	3.1
111.04446	0.5
123.81065	0.4
127.03921	2.2
137.02330	2.1
137.05960	8.6
139.03926	0.5
145.04955	1.4
147.04408	1.0
153.01813	10.9
153.05495	0.6
165.01830	3.7
166.02606	0.6
179.03394	1.6
183.02917	1.2
189.05484	1.1
193.01404	0.5
195.02802	0.4
199.03911	0.4
203.03389	1.0
207.02835	0.5
207.10468	0.4
217.04948	4.3
227.03413	0.5
229.05042	0.7
237.09071	0.6
245.04422	6.0
255.02914	1.0
258.05240	1.3
263.05511	0.7
265.08597	0.7
273.03931	4.6
273.07553	7.4
290.04248	1.2
297.11365	0.9
301.03461	0.9
301.10675	1.0
315.12155	1.2
319.04453	100.0
320.04977	2.2
463.16199	0.8
481.16962	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
55.01868	0.8
57.03418	0.8
65.03938	0.6
67.05501	2.1
68.99775	2.6
69.03429	2.8
69.07066	0.6
69.94365	2.7
71.04982	1.1
71.66080	0.5
73.02899	1.4
74.13763	0.6
79.05480	1.9
79.07442	0.5
81.03413	1.3
81.07040	1.9
85.02899	5.1
91.05460	1.7
93.03365	0.7
93.07045	1.4
94.04180	1.4
95.04943	4.6
95.08627	0.9
97.02909	3.3
97.06548	1.0
107.04986	1.0
107.08566	1.0
109.02894	0.8
109.06535	0.8
109.10133	0.9
111.08076	0.7
119.04927	2.5
120.08090	1.9
121.02802	0.8
122.03658	1.5
123.04425	3.4
123.08049	1.7
123.11689	0.6
125.02390	0.6
125.06042	1.1
127.03899	1.0
127.53594	0.5
133.04976	0.5
133.06450	0.5
135.04347	0.7
135.11673	1.1
137.02377	2.9
137.05968	32.4
139.03880	1.6
139.11185	0.6
141.05455	4.6
141.60030	0.7
145.02817	1.2
145.04968	1.1
147.04402	20.5
149.05974	0.9
151.11165	1.1
153.05458	100.0
153.12700	1.0
154.05807	0.8
156.82831	0.5
161.06032	1.0
167.07100	0.9
169.01379	1.1
169.12218	2.1
170.12575	1.2
173.12965	0.8
177.05450	1.9
179.07037	8.8
186.19318	0.5
195.06541	1.5
218.85956	0.6
245.04433	1.6
273.04041	2.7
281.11179	0.9
287.05389	0.8
289.98111	0.5
301.03384	1.9
301.10654	0.9
317.06537	1.8
319.04459	25.8
319.11713	11.6
320.04904	1.2
430.36694	0.6
481.10791	1.5
481.17133	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
53.20590	0.5
53.51044	0.4
55.01865	0.9
57.03418	0.7
58.80497	0.4
61.02916	0.8
65.03951	0.6
66.04697	0.6
67.05473	0.4
68.99774	1.0
69.03429	2.2
70.83406	0.4
71.04979	0.6
71.44721	0.8
73.02915	0.6
79.05470	1.8
81.03396	1.0
81.07057	0.8
85.02901	5.9
85.51760	0.4
87.04497	0.4
91.05476	1.4
93.07018	0.5
94.04173	3.8
95.04951	0.7
95.08585	0.5
96.35751	0.5
97.02866	1.9
99.04459	0.5
100.73652	0.4
103.05428	0.6
105.07020	0.8
107.04931	1.6
109.02866	1.2
111.00795	1.0
119.04955	1.0
121.06480	0.9
122.03638	7.5
123.04374	1.2
127.03904	1.4
131.04916	1.0
133.06641	0.4
135.04413	1.5
137.05968	100.0
138.06323	1.3
139.04013	0.4
145.04901	1.2
146.03636	0.5
147.04419	1.8
149.05971	1.1
149.09644	0.6
151.03888	1.0
151.07536	0.9
153.01819	6.0
153.05540	0.5
158.86649	0.4
161.05975	3.4
163.03944	0.6
163.07571	1.6
165.01854	1.2
165.06975	3.0
166.07726	1.1
166.50122	0.7
167.07066	2.2
167.08435	0.6
169.12410	0.5
175.07561	0.9
177.05522	0.7
177.06949	0.5
179.03348	0.9
179.07019	0.5
179.08566	0.6
181.06517	0.9
182.07297	0.8
183.02985	0.5
183.08064	0.7
189.05508	0.5
193.06503	1.5
194.07286	4.2
195.08055	0.6
203.03426	0.6
205.06514	1.8
206.07169	0.7
207.08023	0.6
209.09692	1.2
210.06833	1.0
211.07471	2.0
213.05490	0.4
217.04930	2.2
221.06033	3.5
222.06749	2.6
223.07576	1.1
224.08408	1.1
225.09055	1.9
227.84593	0.4
233.06139	0.7
235.07547	0.6
237.05411	0.6
237.09106	2.7
239.07069	1.1
239.10623	0.8
241.04764	0.4
245.04355	2.5
250.06171	0.5
251.06929	0.5
252.07883	0.9
253.08435	2.1
254.09308	0.7
255.06506	0.8
265.08588	10.0
266.08966	0.5
267.10150	1.2
270.08926	0.6
271.07062	0.5
271.09485	2.1
273.03894	2.5
277.08517	0.9
282.08896	1.5
283.09720	0.9
285.11224	6.3
290.04254	0.7
297.11209	12.6
309.11307	2.2
313.11163	0.5
315.12231	12.7
319.04465	45.0
319.16479	1.0
320.04767	2.7
327.12402	0.8
339.12448	0.5
403.94150	0.6
430.61664	0.5
431.15033	0.7
433.16412	0.7
463.17477	0.6
481.17136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01861	0.4
57.03420	0.6
61.02912	0.6
65.03912	0.7
66.04705	0.8
68.99767	0.8
69.03413	1.7
71.04975	0.4
71.44518	0.7
73.02898	0.4
78.04700	0.4
78.26604	0.4
79.05466	1.7
81.03391	1.2
81.07036	0.9
85.02898	4.3
91.05464	1.7
94.04166	4.0
95.04928	0.8
97.02906	2.4
103.05451	0.8
105.07022	0.8
107.04954	1.7
109.02877	1.5
111.00778	1.3
111.04396	0.5
119.04909	0.7
121.06497	0.7
122.03631	9.3
123.04415	1.0
127.03902	1.3
131.04904	0.8
135.04376	1.2
135.08002	0.6
137.05954	100.0
138.06281	0.7
145.04926	0.9
146.03517	0.5
147.04390	2.2
149.05960	1.0
151.03850	0.7
151.07500	1.0
152.79568	0.4
153.01781	4.2
153.05545	0.7
153.06918	0.6
160.05064	0.4
161.05922	3.5
163.03951	0.6
163.07515	1.7
165.01845	1.1
165.05550	0.7
165.06956	3.7
166.07712	0.7
167.07005	2.2
167.08418	0.6
177.05507	0.6
177.06970	0.6
179.07031	1.0
179.08514	1.0
181.06464	0.7
182.07254	1.2
183.02898	0.7
183.08081	0.7
193.06494	1.7
194.07237	4.1
203.03455	0.5
205.06546	1.3
207.08075	0.7
209.09647	0.5
210.06810	0.9
211.07504	1.4
217.04929	1.8
219.08086	0.6
221.05852	2.2
222.06702	3.4
223.07574	1.1
224.08211	0.5
225.09076	2.5
227.06960	0.6
233.05956	0.9
235.07545	0.9
237.09084	2.6
239.06990	1.3
245.04494	1.8
249.08957	0.8
250.06342	0.8
252.07841	0.8
253.08575	1.7
254.09146	0.6
255.06638	0.8
256.07349	0.6
265.08545	9.8
267.10196	2.1
271.09619	1.8
273.03918	1.5
279.10260	0.5
282.08865	1.1
283.09662	0.7
285.11224	5.7
297.11179	14.8
301.11722	0.7
309.11243	1.9
315.12219	11.7
319.04431	37.5
319.16403	0.7
320.04849	1.1
327.12244	0.7
463.17218	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.05487	2.3
57.07051	1.2
57.19911	0.6
58.26534	0.5
65.03937	0.6
67.05489	1.3
69.07065	3.1
69.07359	0.5
71.08618	0.8
71.11890	1.6
77.03909	0.6
79.05479	1.7
81.07040	2.0
83.08609	2.5
91.05469	9.5
93.07022	1.7
95.04927	1.8
95.08571	0.6
96.52608	0.6
97.08366	0.6
100.32124	0.6
101.76536	0.6
103.05460	1.0
105.07024	5.1
107.04923	1.0
107.84528	0.6
109.06479	0.7
109.10133	1.1
115.05434	0.9
117.07003	2.5
119.04900	3.2
119.08532	0.8
121.06489	40.9
121.10146	0.8
122.03641	0.8
128.06284	0.8
129.06981	1.4
131.04866	1.5
131.08554	2.8
133.06470	4.8
133.08385	0.5
134.03656	0.6
135.08018	1.9
137.05956	15.1
142.07738	0.9
143.08537	1.5
145.06467	5.4
145.10121	1.1
147.08017	1.4
149.05960	100.0
150.06328	1.9
151.07527	23.9
152.07901	0.8
157.06480	0.9
157.10091	1.3
159.08066	4.6
159.11574	0.6
161.05983	0.8
161.09592	0.8
163.07529	5.7
165.09087	10.4
167.07013	6.6
171.08080	1.6
173.09589	1.8
174.06726	1.4
175.07516	4.7
176.08345	0.7
177.05447	66.9
177.09009	9.5
178.05792	1.0
179.06969	0.7
179.10640	0.6
183.11716	0.7
185.09619	1.4
187.07549	2.3
188.08322	3.2
189.09106	6.6
190.09798	0.6
191.07002	1.6
191.10664	5.5
195.06505	39.4
196.06917	0.7
197.09616	1.0
199.11342	0.6
201.09036	3.1
202.09784	1.5
203.06897	0.7
203.10646	11.6
205.12254	3.8
209.08040	2.2
211.11113	1.2
213.09126	0.7
215.10635	12.3
216.11198	0.7
217.12224	5.9
219.13701	0.7
221.08098	1.0
229.12230	2.1
231.10268	0.6
231.13799	2.4
233.15315	3.9
235.09604	1.7
243.13753	3.9
245.15442	1.5
247.16902	1.8
259.16922	0.8
261.08868	0.8
261.18472	0.8
263.10684	1.2
271.16931	1.4
273.18475	2.5
279.10120	0.7
285.18481	7.5
286.19354	2.0
287.19983	4.4
289.08594	0.7
290.09280	0.6
291.10086	1.8
293.08121	0.7
293.11334	0.8
297.14743	1.2
299.20071	0.9
305.11743	1.4
307.09506	0.8
307.12985	0.8
309.11124	1.0
311.12836	0.7
311.46048	0.6
315.15787	0.6
317.17361	1.0
319.13455	0.8
321.15146	0.7
323.09259	0.6
323.12778	2.5
325.14288	0.9
335.12811	1.3
337.14276	0.9
351.12076	0.8
351.15973	0.9
365.13818	1.1
369.13336	2.4
383.14948	1.7
397.16458	2.8
399.17859	0.9
403.23169	0.7
405.24084	0.6
435.25186	3.7
463.24539	3.7
481.19031	1.3
481.25803	18.8
482.25861	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2581
Annotation	Demethylzeylasteral
Peak:m/z	Relative Intensity
50.58880	0.7
55.05505	1.7
57.07076	1.8
69.07056	3.0
70.67650	2.3
72.83057	0.7
73.20721	0.9
77.03910	0.9
79.05489	1.9
83.08602	2.3
91.05478	7.9
95.04958	2.3
96.85827	0.8
97.10210	1.1
105.07042	4.9
111.11699	0.8
117.07001	2.1
118.63216	0.8
119.04960	3.4
121.06496	38.3
123.08105	1.5
127.26883	0.7
131.04912	1.3
131.08546	1.3
133.06485	5.0
135.08026	1.2
136.05106	0.9
137.05962	13.6
137.06947	1.2
143.08577	1.8
145.06488	4.8
149.05971	100.0
150.06345	1.8
151.07526	24.2
151.08664	1.6
157.06407	1.0
159.08076	2.8
161.06038	1.2
163.07529	5.4
165.09097	13.5
166.09537	1.0
166.56403	0.7
167.05717	1.0
167.06966	4.9
171.08025	1.7
172.08813	1.0
173.09599	2.0
174.06763	1.3
175.07530	4.6
177.05460	83.7
177.08998	11.3
178.05811	1.4
185.09592	1.7
187.07571	1.2
188.08311	2.7
189.09084	7.9
191.07022	1.6
191.10672	6.3
195.06517	44.7
196.06821	1.4
197.09637	1.3
201.09129	3.3
203.10664	11.2
205.12248	3.3
209.08084	3.2
211.11130	2.1
215.10675	13.5
217.08759	1.4
217.12213	6.4
219.13707	1.3
221.07947	1.4
227.10800	0.8
229.12251	3.1
231.13828	2.0
233.15285	4.0
234.83965	0.8
235.09695	1.1
243.13824	2.3
247.16920	1.7
257.76956	0.8
259.17065	1.0
273.18484	3.2
275.10632	1.5
277.08618	1.0
284.88812	0.9
285.18460	8.1
286.19235	2.3
287.19955	4.3
291.10190	1.9
297.14774	1.5
305.11707	2.4
308.10367	1.4
319.13193	1.5
321.10931	1.0
323.12851	2.1
335.12698	1.4
337.14285	1.4
351.12265	1.8
351.16214	1.0
369.13220	3.1
381.17072	1.1
383.14941	2.3
397.16339	3.5
435.25348	4.2
463.24463	4.4
481.19092	1.5
481.25836	22.2
482.26489	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04284	1.1
53.03932	2.3
53.98792	1.2
55.05503	3.0
57.07055	5.4
67.05497	2.2
69.07069	5.0
69.17668	2.9
69.18073	14.1
71.08614	2.5
81.07058	3.0
83.08624	4.6
85.10144	2.1
89.06023	10.5
91.05485	9.4
93.07034	1.9
95.04968	2.0
97.10200	1.5
98.20746	2.8
105.07030	5.5
117.07001	2.7
119.04964	2.5
121.06493	41.6
129.06993	1.5
131.04962	1.9
131.08565	2.4
133.06438	3.3
133.08591	3.6
135.08017	3.0
137.05966	19.5
143.08577	1.9
145.06470	6.3
149.05969	100.0
150.06319	1.7
151.07530	23.5
156.96983	1.4
157.06476	1.7
157.10104	1.9
159.08055	4.8
163.07533	8.1
165.09126	12.1
167.07030	8.6
171.08012	2.6
173.09679	2.0
175.07562	4.1
177.05450	79.7
177.09045	13.7
179.10596	1.8
185.09610	2.1
187.07477	1.9
188.08347	3.8
189.09148	8.0
191.10674	10.1
195.06525	47.8
201.09085	3.3
203.10623	15.5
205.12256	4.1
209.08049	2.3
211.11086	1.5
215.10645	17.8
217.08617	1.8
217.12210	5.8
229.12227	2.7
231.13733	3.1
233.15376	5.6
243.13777	4.6
247.17082	2.8
250.03973	1.3
262.09912	1.8
263.10410	1.9
273.18393	3.9
279.10101	1.7
280.11044	1.7
285.18439	9.7
287.19992	4.7
291.10321	1.6
299.19980	1.6
308.10324	1.7
308.29465	2.0
309.29874	3.9
321.11276	1.9
323.12646	2.6
325.80759	1.6
369.13147	2.6
383.14871	3.6
397.16174	3.2
435.25043	5.5
463.24615	5.2
481.25842	27.5
482.25815	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	481.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.05506	2.3
57.07060	0.8
58.62133	0.4
60.03957	0.4
65.03918	0.8
67.05510	0.8
69.07066	2.4
71.43855	0.7
77.38437	0.4
79.05491	1.3
81.07039	1.2
83.08619	2.7
87.04570	0.5
91.05466	5.1
93.07034	1.7
95.04954	2.5
95.08585	1.3
97.10179	0.7
103.05439	0.9
105.04504	0.9
105.07015	2.1
107.04971	0.7
109.06537	0.5
109.10146	1.0
117.06989	0.9
119.04955	0.5
119.08574	0.7
120.02556	0.5
121.06490	43.0
122.03658	0.6
123.11721	0.5
125.45344	0.5
128.06244	0.6
129.06975	0.8
131.04903	0.8
131.08551	1.3
133.06477	1.7
134.03575	1.0
135.08058	1.2
137.05962	12.3
143.08553	1.1
145.06416	2.6
145.10139	0.6
147.04416	0.6
149.05963	100.0
150.06317	2.3
151.07539	4.3
155.08475	0.5
157.06517	0.6
157.10078	1.0
159.08057	2.8
161.05948	1.1
163.07542	3.3
165.06976	0.5
165.09108	5.4
167.07025	8.9
169.10094	0.5
171.08025	1.8
172.08797	0.8
173.09575	0.9
174.06752	1.4
175.07530	2.9
177.05453	74.5
177.08975	6.4
178.05789	1.6
178.09256	0.5
181.08614	0.8
185.09535	1.0
187.07454	0.7
188.08261	2.6
189.09073	6.5
191.10625	5.3
195.06506	42.0
196.06859	0.9
197.09525	1.3
199.11195	1.3
200.08342	0.8
201.09102	3.2
202.09807	1.0
203.10654	7.0
205.10536	0.7
205.12167	3.3
211.11095	1.6
215.10654	14.8
216.11372	0.8
217.08723	0.6
217.12190	5.1
219.13771	1.3
219.94101	0.6
221.08035	0.7
226.81978	0.5
227.10612	0.6
229.12181	1.5
231.10283	0.7
231.13795	4.1
233.08063	1.6
233.15286	2.8
234.08318	0.9
235.09471	0.7
243.13815	2.5
245.12012	0.5
245.15260	0.9
247.16951	0.6
253.15927	0.6
255.17216	0.5
259.16891	1.3
261.11282	0.9
271.16916	0.8
273.18414	3.2
285.18466	11.8
286.18945	1.1
287.20001	3.9
299.20044	1.5
385.16803	0.6
399.17810	0.8
403.22406	1.0
438.12701	0.5
449.23059	0.6
463.24463	2.7
481.25656	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	481.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42737	0.8
53.03938	1.4
55.05500	2.3
56.43179	0.8
57.07071	1.5
64.45100	0.9
64.75449	0.7
67.05489	1.2
69.07043	2.6
69.34058	4.0
69.34489	4.2
77.33553	0.9
79.05479	1.0
80.05013	0.8
83.08624	1.9
90.66499	0.9
91.05485	8.4
92.83440	0.7
95.04964	2.8
101.05957	0.8
105.07025	5.5
105.53024	0.9
106.70448	0.8
109.10155	1.6
111.90027	1.0
116.07854	0.9
117.07038	1.6
119.04923	2.9
120.53286	0.8
121.06492	39.9
123.08071	1.4
131.04884	1.0
131.08598	1.9
133.06441	3.2
135.08066	1.0
137.05972	13.6
142.07826	0.8
143.08543	1.5
145.06471	3.3
149.05966	100.0
150.06238	1.1
151.07526	20.2
157.06453	1.0
157.10117	1.5
158.31213	0.9
159.08037	3.7
161.06004	1.4
163.07532	5.2
165.09097	10.4
167.06998	5.1
171.08060	1.7
173.09711	1.4
174.06801	1.2
175.07542	4.1
177.05455	67.2
177.09026	9.7
178.05817	1.3
185.09619	1.9
187.07578	1.9
188.08331	3.5
189.09088	6.0
191.06946	1.3
191.10626	4.7
195.06508	40.9
198.27666	0.9
199.11003	1.4
201.09152	2.3
203.10638	10.5
205.12143	2.6
209.08076	2.6
211.11134	1.7
215.10677	10.6
217.08531	1.1
217.12206	5.4
221.08083	1.0
229.12233	3.7
231.13794	2.9
233.15424	2.6
243.13754	3.5
245.15231	1.5
247.16968	2.1
259.16873	1.2
263.10574	1.3
273.18393	1.9
285.18451	7.6
286.19193	1.4
287.20016	5.1
291.10199	2.5
297.14932	1.0
323.12582	2.0
337.14355	1.9
351.15710	1.4
369.13144	2.4
369.62964	1.0
381.16895	1.3
383.14780	1.7
397.16296	3.3
435.25217	2.7
463.24777	3.9
464.25476	1.0
481.25793	20.1
482.26349	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89146	2.3
54.18983	2.0
55.05494	5.0
57.07057	3.3
67.05481	3.0
69.07064	2.8
80.26723	2.1
80.46824	2.1
83.08626	4.8
87.11666	1.9
88.61937	2.0
89.68419	2.0
91.05463	7.4
93.07023	2.4
95.08564	3.3
97.10177	2.8
105.06998	3.9
109.10153	2.7
121.06483	29.4
131.08588	2.7
133.06441	3.7
137.05972	16.2
145.06494	6.3
149.05968	100.0
151.07518	20.5
159.08075	5.3
163.07484	7.2
165.09090	13.9
167.07016	12.1
175.07538	5.8
177.05457	95.4
177.09027	11.7
178.05721	3.0
188.08261	6.7
189.09068	7.7
191.07091	2.5
191.10631	10.4
195.06511	57.4
201.09143	2.3
203.10649	14.4
205.12263	5.4
209.08005	2.7
215.10567	16.6
217.08661	3.7
217.12216	10.9
229.21701	2.5
231.13664	3.6
233.15344	5.9
233.91241	2.7
235.09547	4.1
247.16832	2.9
278.69073	2.6
285.18384	7.4
287.19965	5.3
319.09296	2.1
369.13382	4.9
397.16473	2.2
435.25269	4.0
463.24561	6.1
481.25906	27.1
497.12766	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	482.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27164	4.6
67.05508	9.5
71.52651	5.9
71.53025	6.7
76.38421	5.2
79.05470	14.6
81.03412	8.0
81.07064	9.7
91.05464	9.1
93.07063	9.1
95.04947	10.8
97.06555	9.1
100.12508	5.9
103.05444	8.2
105.06995	14.8
107.04886	7.5
108.05717	7.6
111.08168	5.4
119.04939	8.3
119.08603	6.7
119.09882	4.9
121.06547	13.7
122.07239	9.1
124.05213	13.3
127.15530	5.6
133.02785	5.7
133.06496	13.8
134.07265	7.6
135.04250	5.1
135.07988	11.5
139.03902	14.9
139.07544	53.1
143.47171	5.7
145.02928	5.8
145.06328	5.5
145.78902	5.1
147.04393	11.6
148.05185	9.1
149.05971	8.5
150.06754	31.4
151.07541	59.8
161.05962	7.8
162.06705	33.7
163.03899	6.0
163.07553	32.8
165.09091	100.0
167.07013	29.7
192.29597	5.6
193.08595	93.3
193.82457	6.1
194.09354	15.6
221.96025	5.8
271.17767	5.3
292.09811	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	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
55.05490	4.4
61.02939	1.8
65.20929	1.5
67.05489	3.6
69.03406	5.7
69.07054	3.5
70.02182	7.0
71.04978	2.3
73.02896	5.3
79.05470	3.4
81.03407	2.3
81.07042	7.0
83.04979	2.9
85.02914	7.6
91.05465	6.7
93.07035	25.8
95.04967	3.3
95.08605	4.2
95.92796	1.7
97.02876	8.3
105.07032	2.4
107.08602	13.6
109.02841	2.0
109.10150	4.0
115.03884	2.3
119.04903	4.5
121.10100	2.9
123.04406	20.0
127.03865	2.7
133.02849	5.0
133.04959	2.2
133.10138	3.5
135.04407	4.0
135.08133	1.5
135.11670	25.5
137.05937	6.9
138.06253	1.8
144.04750	2.2
145.04942	4.2
146.68747	1.6
147.04359	8.1
147.11665	2.3
149.02301	6.7
149.05879	1.9
150.69695	1.7
151.03856	2.7
153.12729	2.3
163.03885	78.9
164.04167	3.3
165.05455	4.0
175.14777	1.7
177.05443	6.0
181.04933	3.9
185.61070	1.5
191.03429	2.0
202.26495	1.6
202.68385	1.7
203.03320	7.3
203.05170	1.9
207.53755	1.5
229.04936	4.3
245.04456	15.6
257.04428	100.0
258.05261	3.3
269.04440	5.4
287.05383	6.4
299.05365	5.8
331.08212	8.1
391.07874	2.9
409.09143	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	10.2
55.05469	7.2
57.03424	16.6
57.07058	6.9
61.02925	7.1
63.75317	8.5
67.05484	12.1
67.55677	6.3
69.03412	27.0
69.07045	22.8
70.84309	14.8
71.37852	6.3
73.02890	27.4
79.05514	6.4
81.03415	14.1
81.07042	18.9
83.04951	14.1
85.02893	56.5
85.06501	6.7
91.05479	12.5
93.07034	71.1
94.22991	6.9
95.04939	19.4
95.08588	31.7
97.02868	38.6
97.06531	12.5
101.33658	6.4
105.07037	10.7
107.08566	53.8
109.02824	7.2
109.10149	21.3
115.03912	26.0
117.03367	17.1
123.04397	7.7
123.11671	8.4
127.03909	18.1
133.04951	33.1
135.11649	81.0
137.05960	15.3
144.04747	23.3
145.02818	35.9
145.04929	26.1
147.04404	7.4
149.05949	7.8
153.12685	31.9
163.06030	17.5
177.05458	100.0
211.55515	7.0
257.04465	36.8
259.08188	8.7
259.57639	7.3
356.08289	8.3
409.09186	13.6
482.17212	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73265	0.6
55.01863	1.3
55.05505	1.6
57.03423	2.3
59.04998	1.2
61.02922	0.8
62.37989	0.6
69.03430	6.6
69.07050	2.1
71.04990	10.7
71.07830	1.4
71.08167	0.7
73.02912	6.7
73.06542	3.8
79.05512	3.1
81.03413	1.5
81.07056	14.2
85.02421	1.4
85.02901	14.1
87.04441	0.9
89.69317	0.8
91.05456	1.1
93.07043	8.2
95.08595	1.0
97.02888	9.9
103.15082	0.6
107.08591	7.6
109.02910	0.9
109.10162	1.5
115.03960	3.5
119.11245	0.7
127.03905	4.4
133.04955	4.7
135.11684	13.7
145.04950	5.5
153.12738	100.0
154.13098	1.6
158.22639	0.7
163.06017	2.1
171.13867	0.8
174.18323	0.7
223.05998	1.2
241.07091	1.0
259.08084	2.3
276.37051	0.7
320.07373	0.9
484.22571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01859	7.4
55.05499	4.6
57.03429	15.4
57.07053	1.1
59.04994	5.4
61.02916	13.9
67.05499	6.7
69.03423	27.1
69.07056	8.0
69.70889	3.6
69.71323	2.2
71.01350	4.4
71.04967	1.7
71.80943	0.8
72.63780	0.8
73.02909	71.8
79.05483	4.9
79.76530	0.9
81.03416	5.4
81.07040	11.3
83.08595	2.6
85.02896	58.8
87.04456	3.9
91.03936	2.1
91.05451	3.3
93.07036	19.4
95.04960	1.6
95.08595	52.8
97.02878	41.9
97.03815	0.9
97.06506	3.4
97.10137	1.6
99.04427	3.0
101.02365	0.8
103.03893	1.4
105.06996	2.9
107.04928	1.3
107.08575	19.1
109.02861	5.5
109.10145	18.2
109.16985	0.9
111.04380	0.8
111.08053	0.9
111.11689	1.0
115.03920	25.9
119.04903	1.4
119.08543	2.5
121.06500	1.8
121.10102	3.5
123.04416	7.3
123.08082	0.8
123.11681	8.3
125.13305	1.4
127.03895	19.8
133.04948	31.0
133.10056	1.8
135.04437	1.3
135.11674	36.3
136.12012	1.8
137.05957	3.5
137.13219	0.9
139.03914	2.1
145.04948	23.7
147.04401	4.2
149.05930	1.8
149.09514	1.0
151.03882	3.0
152.04256	1.2
153.12724	100.0
154.13080	1.9
155.18950	0.9
161.05951	1.6
163.06032	7.5
163.07330	1.5
165.05479	8.2
167.06985	2.2
167.10571	1.3
171.13751	2.9
177.05455	3.6
187.05945	1.2
189.05443	1.1
191.06967	1.3
193.04984	1.5
199.05930	0.9
223.05933	3.0
241.07004	5.6
257.04376	3.2
257.11365	0.9
259.08041	3.8
277.08936	1.0
285.14838	0.8
292.73840	1.2
303.15741	1.2
317.10068	3.3
331.18768	1.1
355.13098	0.9
409.09024	2.2
447.20383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
54.91274	1.4
55.01866	1.7
55.05494	5.3
57.03430	15.1
59.04980	6.0
60.04548	1.3
60.41047	1.4
60.97446	1.3
66.77751	1.6
67.05491	7.7
69.03420	53.1
69.07059	8.3
69.91035	1.4
70.06583	2.5
71.52888	2.4
73.02908	10.1
75.04456	2.7
75.25262	1.6
79.05469	5.3
81.03396	4.7
81.07046	19.4
81.30969	1.6
83.04962	2.1
85.02896	37.8
85.06515	2.5
87.04453	35.0
91.05473	6.2
93.07030	24.0
94.53232	1.4
95.04951	3.9
95.08593	51.9
97.02880	41.5
97.06494	4.0
97.10144	3.8
99.04461	1.9
105.07006	6.2
107.08577	19.1
109.02832	2.6
109.06454	1.7
109.10147	22.1
111.04381	2.1
115.03912	50.9
119.08573	4.7
121.06503	1.6
121.10110	3.5
123.04396	6.5
123.08062	1.5
123.11710	8.4
125.09578	2.0
127.03870	6.1
131.04866	1.9
131.08540	1.6
133.04944	49.9
135.08073	1.9
135.11673	32.8
137.05946	4.9
137.09517	1.5
138.06335	1.8
139.03903	2.1
145.05037	3.8
145.10135	3.1
147.04430	3.9
147.11623	2.5
150.07593	3.3
153.05464	1.8
153.12723	100.0
159.11642	1.7
161.09665	1.6
161.19331	1.3
163.07690	1.4
165.05476	4.6
167.06990	3.0
171.13744	2.7
175.11140	1.7
177.05434	4.1
241.06924	1.6
259.08023	1.7
317.10110	1.6
438.68729	1.7
442.12177	1.6
483.18103	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	482.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	2.5
56.05305	3.0
57.07069	59.9
69.07060	10.5
71.08228	3.5
71.08625	54.2
71.53120	3.8
73.06579	2.3
76.70978	2.1
83.08588	5.2
85.10172	38.4
89.06023	100.0
93.07060	2.6
96.92590	2.0
97.10158	3.9
99.11722	4.7
107.07056	6.4
108.68724	1.9
111.11694	2.3
113.13268	5.5
117.09136	2.8
125.13245	2.8
127.14821	5.0
130.08620	3.2
133.08586	58.2
149.05930	2.6
175.11156	2.6
177.11197	23.7
195.12323	4.1
221.13843	2.6
239.14822	4.2
283.17560	25.9
314.27185	2.8
315.29007	3.5
352.67941	2.5
377.32761	2.8
465.37680	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	483.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.1
56.96562	47.5
57.03424	4.3
61.02933	4.4
69.03416	13.7
69.44316	3.0
70.01477	16.0
73.02899	3.0
81.03397	6.7
84.96027	10.8
85.02888	25.9
88.99155	3.7
91.05463	6.8
97.02889	13.2
98.97575	85.3
110.97569	17.1
112.99123	22.4
116.98611	39.0
119.01926	15.6
119.04971	6.5
127.03928	6.1
128.98587	23.9
131.00169	33.2
131.01820	4.6
131.71494	3.9
133.01683	5.7
133.03474	4.1
134.90163	3.1
134.99615	12.3
135.32884	3.2
136.06161	3.8
137.05963	9.6
143.00134	10.6
143.01875	4.9
145.01740	4.3
145.03439	5.6
145.04941	5.1
146.99617	20.4
147.04372	13.9
147.05182	6.6
149.01234	15.4
151.02690	3.4
155.01944	6.8
157.01665	5.0
157.03493	4.7
158.99631	23.4
159.05101	5.0
161.01260	9.9
161.02966	8.9
163.02711	9.4
163.04030	11.0
165.06091	7.1
169.92392	3.6
170.99634	8.9
171.05038	9.7
173.01314	5.3
173.02914	7.9
174.99246	3.5
175.02769	8.7
175.04443	6.1
177.00702	30.1
179.02313	4.5
189.00708	11.8
189.06079	17.9
190.98596	4.2
191.02269	7.1
193.03792	6.5
201.00723	11.8
201.04420	5.4
201.05957	19.6
203.02280	4.2
203.05740	3.5
203.07652	7.1
205.00386	5.6
209.01151	3.8
211.04773	8.7
215.07649	4.8
217.03789	7.8
219.01721	55.1
219.07089	6.6
221.05101	12.8
223.01257	3.9
225.06050	6.3
231.07101	8.6
235.04720	4.1
237.02803	100.0
245.05013	7.1
255.03812	7.7
261.08072	5.3
273.08090	3.5
275.04373	5.2
277.03223	4.8
277.05692	21.9
279.03748	4.9
281.01697	6.5
291.09326	37.4
293.05374	14.2
295.06995	77.2
295.10458	5.2
303.03775	5.2
305.05426	4.0
305.10831	5.4
307.07108	10.3
307.10486	4.1
309.10464	5.2
310.10538	3.8
310.61203	3.2
321.04889	4.8
321.10413	15.8
323.06427	12.4
325.08017	12.1
335.06509	6.0
337.07983	37.0
353.07468	7.9
355.09113	33.3
365.07587	12.4
367.11063	17.6
377.00360	7.6
389.07666	7.9
423.08026	5.0
451.07611	29.9
465.10553	6.4
483.11029	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
64.24203	1.1
69.03422	2.5
69.32700	0.9
69.33007	10.1
81.03421	1.3
82.99842	2.8
85.02881	4.3
97.02866	1.6
98.97586	4.5
101.00872	10.2
109.02841	1.7
113.00861	2.4
119.01920	24.6
127.02441	2.4
127.03922	2.0
129.04010	1.4
131.01883	13.5
133.03461	3.0
137.02939	2.6
143.01869	17.8
144.71434	1.1
145.03468	11.9
147.01437	1.5
147.04988	3.7
149.02966	4.3
155.01901	18.9
157.03467	9.8
158.99550	1.9
161.01413	1.3
161.02948	28.2
163.04498	1.2
165.06058	1.6
167.01871	5.8
169.03505	3.6
171.05031	4.5
173.02950	39.8
174.03069	1.6
175.04497	4.4
177.02411	2.8
179.01921	4.0
183.01422	1.9
183.05020	2.6
184.98294	1.4
185.02939	41.5
187.04440	5.2
189.06027	3.3
191.03999	3.2
195.03387	1.9
196.04417	1.4
197.02943	16.6
199.04532	2.6
201.02420	41.2
201.06036	6.4
203.03976	15.7
209.03078	2.7
211.04704	1.6
213.02417	10.5
215.04060	8.4
219.03494	100.0
220.03590	2.7
221.05028	5.6
225.06018	1.9
227.03891	7.8
229.05650	1.8
231.03459	11.6
231.07239	1.5
236.61743	1.2
237.02525	2.5
237.04552	3.7
242.05032	3.1
243.03514	2.6
245.05055	94.1
246.05255	4.4
247.06595	2.5
249.04492	7.5
255.03572	6.0
257.05048	4.3
259.06952	1.2
261.02219	1.5
261.04599	14.5
263.06146	12.9
264.05838	1.3
273.04559	2.6
275.06110	12.1
279.05786	6.2
279.08432	1.3
285.04657	1.9
286.07843	1.1
291.09204	7.7
293.07172	5.6
303.05612	27.1
305.07178	10.1
309.10172	1.3
321.06683	35.7
321.10257	1.9
335.08057	3.5
337.09991	2.5
339.07727	1.9
363.07632	1.5
365.09210	9.6
465.10699	2.6
483.11679	21.7
484.11789	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	11.1
57.03421	1.8
60.95867	1.1
61.02911	2.3
69.03429	5.3
69.75043	6.3
71.04986	1.2
73.02913	2.3
81.03400	3.0
84.96017	3.2
85.01416	1.4
85.02899	14.0
86.03238	1.1
87.04438	2.3
94.89771	0.9
97.02883	5.8
98.97578	25.5
99.04435	1.4
100.99155	1.7
101.00856	4.3
101.05956	1.4
101.36163	1.0
103.02435	2.5
105.77457	1.2
107.04913	1.0
109.02824	1.6
110.97549	6.4
112.99133	11.0
113.00848	2.1
115.02436	1.7
115.03829	1.0
116.98616	10.7
117.03979	2.3
119.01914	9.4
119.04941	1.2
121.03516	2.2
127.03918	3.3
128.98598	7.4
128.99394	1.3
129.03969	5.1
130.23747	1.1
131.00169	14.4
131.01895	12.3
133.01678	1.2
133.03477	7.1
134.03400	1.1
134.99640	3.3
135.04965	1.4
137.02946	1.5
137.05946	1.6
140.98671	1.2
143.00200	1.8
143.01884	3.1
144.98109	1.8
145.01663	2.4
145.03444	11.3
145.04968	2.6
146.03474	1.2
146.99625	4.7
147.05043	51.6
148.05167	1.2
149.01207	8.1
149.02963	1.8
151.02635	1.2
151.04536	1.8
153.03966	2.0
155.01863	8.1
155.05522	1.0
157.03482	6.1
158.99622	4.6
159.05055	8.1
161.01193	3.8
161.02968	3.7
161.05525	1.4
162.99110	1.9
163.02736	4.0
163.04416	3.5
165.06081	20.5
170.99673	2.4
171.04993	17.3
173.01337	1.8
173.02916	9.7
173.06523	5.7
175.02776	4.4
175.04504	7.0
177.00740	6.5
177.06061	1.3
178.04948	3.2
178.55113	1.1
181.03670	1.9
183.05034	9.7
185.02975	2.1
185.06612	9.5
187.04562	2.5
189.00668	3.4
189.06059	48.1
189.07779	2.3
190.06122	1.8
191.02274	1.8
191.07585	1.7
193.00195	1.2
193.03793	4.8
195.05072	2.8
196.02130	2.2
197.06563	2.7
199.02826	1.5
199.04588	1.2
201.00760	2.5
201.06068	55.7
202.06172	1.3
203.02266	1.2
203.04050	3.2
203.07611	11.2
205.03777	2.7
207.01790	1.6
207.05096	1.5
211.04782	3.7
213.06067	6.0
215.07637	12.7
217.03773	1.2
217.05588	4.3
219.01764	15.3
219.07166	3.8
221.05054	19.7
223.01097	1.4
223.04764	1.9
225.06013	17.0
231.07152	10.1
232.99683	1.1
233.08777	1.5
236.33130	1.2
237.02795	31.3
241.05527	3.1
242.08182	1.4
243.07251	3.2
245.05112	3.4
247.06732	2.7
252.08664	1.2
252.58705	1.3
255.03989	2.7
255.07082	1.6
259.06628	5.1
261.08148	3.6
273.08115	6.3
275.04263	2.6
277.05643	2.5
279.09225	2.5
285.04324	1.4
291.09229	100.0
292.09348	6.0
293.05405	5.9
293.09668	1.1
295.07025	15.4
295.10324	2.0
303.05698	1.3
303.09528	1.3
305.10782	1.8
307.06970	4.6
309.10367	29.9
310.11032	1.5
319.06711	1.3
321.06686	2.6
321.10254	10.0
322.10541	2.6
323.06528	2.3
325.08060	2.8
333.11105	2.5
333.61307	3.9
334.11411	1.6
335.06259	1.9
337.07965	16.0
339.11395	1.3
351.11411	2.7
353.07462	1.5
355.09018	16.0
365.07574	2.5
367.10437	3.7
379.10992	2.1
389.07327	1.4
423.08014	1.5
438.99884	1.2
447.09808	9.1
451.07446	6.8
465.10825	32.9
466.11105	2.5
483.11740	45.5
484.11960	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	26.6
57.03420	7.2
57.07056	10.5
67.05488	4.7
69.07067	24.8
70.41631	3.1
70.61348	3.0
70.61670	9.0
71.08625	8.0
72.28410	2.6
79.05477	4.8
81.07035	7.9
83.08609	22.7
85.02645	2.9
97.06532	2.8
97.10181	16.9
98.98463	16.2
111.11671	4.5
119.04832	3.4
123.11707	2.8
130.14983	2.7
135.04369	6.1
155.01033	6.7
167.55307	3.2
311.25784	100.0
368.11340	3.8
447.24976	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	484.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67449	0.5
53.03944	0.6
55.01871	2.4
55.05513	0.9
57.03439	5.4
59.05000	1.3
60.88858	0.6
61.02922	3.7
67.05511	0.9
68.52074	0.5
69.03426	10.3
69.07058	4.8
70.99434	1.0
71.01338	0.9
71.05006	0.7
71.08626	42.5
73.02915	17.3
79.05486	0.9
81.03407	2.0
81.07050	1.9
85.02901	21.1
85.06510	0.7
87.04456	1.7
91.03951	1.1
91.05495	1.0
93.07035	1.2
95.08595	1.1
97.02881	16.8
99.04453	1.0
99.08085	100.0
103.03917	0.8
107.08582	1.2
109.02869	2.8
109.10175	0.6
115.03919	7.4
123.04438	0.7
127.03921	7.8
129.12749	13.1
131.08434	0.5
133.04953	7.8
136.57610	0.5
145.04948	9.5
147.04370	0.8
149.09589	0.8
155.08569	0.6
155.14293	3.4
156.10173	0.9
159.11717	0.6
160.11945	0.5
163.06013	2.7
173.15359	82.6
174.15640	0.7
223.05940	1.4
241.07033	1.9
259.08054	1.7
384.55490	0.5
456.78024	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54063	1.4
55.01854	2.6
57.03434	7.8
57.07058	1.5
59.05004	3.0
61.02931	3.1
69.03432	10.1
69.07051	2.6
70.76893	1.5
71.02326	3.6
71.02666	1.7
71.04979	5.0
71.08630	41.2
73.02911	15.9
79.05471	3.4
81.03391	3.3
81.07064	9.3
82.07348	2.2
85.02896	21.8
91.05450	2.4
93.07008	4.7
94.07396	2.3
95.08600	4.2
97.02883	15.6
97.06517	3.2
99.04439	1.9
99.08086	100.0
104.10503	1.8
107.08591	3.4
109.02879	4.4
115.03915	5.5
121.10134	19.7
122.10468	10.9
123.11681	5.0
124.11985	2.4
125.05981	2.6
125.09599	4.4
126.06317	2.2
127.03889	7.2
129.12730	9.6
133.04974	5.8
137.05917	2.8
139.11169	6.0
140.11472	4.7
145.04921	6.4
149.09599	4.7
155.14301	2.9
167.10635	11.4
168.10976	7.1
173.15369	66.1
177.05469	2.1
185.11699	2.3
186.12032	2.4
228.14059	1.5
243.00912	1.6
259.08084	2.0
312.15173	2.2
329.15704	1.6
330.16205	2.3
477.09851	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75405	3.5
56.96557	25.7
58.51451	3.5
59.48082	3.3
69.95207	7.5
69.95612	16.3
71.95296	4.8
91.60590	3.6
98.20774	4.5
98.97575	39.6
116.98600	48.3
119.01904	31.4
134.99641	51.4
137.02959	13.9
153.00757	12.2
174.97633	5.3
175.17177	4.1
177.00903	39.2
178.01031	4.7
179.00716	12.3
194.71660	3.9
219.01970	41.1
220.02097	6.2
221.01799	12.8
232.96632	5.3
234.96439	6.0
234.99953	13.7
236.99753	4.6
243.01985	7.6
245.01793	4.6
252.97363	5.6
256.96695	10.1
258.96768	4.5
258.99899	21.9
260.00143	5.7
260.99936	12.2
261.02997	100.0
262.03207	27.3
263.02771	22.8
274.97690	15.6
275.97903	10.0
276.97580	25.8
277.01010	32.7
278.01175	12.4
279.00906	15.1
282.99982	25.5
284.00082	7.6
284.99817	18.6
294.98489	9.0
298.97781	13.2
299.97849	5.4
300.97504	23.8
301.01031	46.2
302.01086	18.5
303.00833	43.3
304.01068	4.9
316.98898	26.5
317.99045	15.9
318.98535	44.4
324.91064	5.7
340.10291	3.9
354.93689	7.3
356.93301	9.6
359.00293	4.8
396.94693	7.4
398.94354	8.1
401.01221	9.2
403.01138	7.0
406.90176	4.8
407.40561	6.4
417.88416	6.3
418.98309	4.7
419.91122	5.4
427.01056	6.5
428.90610	5.2
429.41977	5.1
435.84122	5.2
438.89679	3.5
442.97824	36.2
445.02219	18.6
447.89343	14.3
457.39813	5.9
458.41980	4.0
458.88684	7.5
459.40216	7.6
459.89316	4.7
460.99869	58.1
462.95844	14.1
466.20877	8.0
467.88333	5.5
469.91620	5.8
470.41751	5.7
470.90948	7.6
471.41602	6.0
479.90295	17.2
480.40118	12.9
480.89642	10.2
480.96762	8.9
482.40973	5.2
485.01434	17.7
488.89975	4.5
489.40997	5.4
491.91577	7.8
500.91541	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	485.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58848	2.7
53.03950	3.7
55.01862	4.6
55.05494	4.5
57.07063	5.4
67.05494	22.0
68.09817	3.0
69.03406	11.6
69.07082	4.4
70.06578	6.2
71.53365	5.2
73.02924	3.1
79.05489	10.5
81.03407	11.5
81.07041	18.3
83.04971	27.4
85.02883	10.8
87.04453	3.0
91.05473	18.9
91.48987	3.1
93.07028	15.2
95.04948	15.4
95.08573	15.1
97.02880	6.9
97.06530	5.0
103.05421	3.5
105.07053	4.6
107.04977	5.0
107.08576	11.9
109.02872	5.8
109.06516	12.4
109.10153	36.5
112.07569	3.0
117.07005	4.1
119.04933	4.5
119.08562	22.0
121.02847	2.8
121.06451	13.5
121.10152	3.7
123.04420	7.3
123.08054	5.9
125.09641	3.3
126.03139	3.8
127.03912	6.6
127.07589	3.0
129.65140	2.6
133.06512	3.6
133.10098	2.9
135.04326	3.4
135.08052	11.2
135.11633	3.2
137.05965	21.2
137.09589	17.4
140.06990	2.9
141.05446	100.0
141.06546	5.9
147.04449	15.2
147.08012	21.5
148.97118	2.8
151.03935	4.0
151.07550	6.6
153.05460	8.8
156.14621	3.8
165.05493	17.8
165.09114	35.6
167.07097	3.4
177.05519	12.0
179.06880	3.9
183.06503	21.1
183.10207	2.7
185.91805	2.7
191.07089	6.7
203.07085	8.9
207.06491	13.9
231.06459	13.4
249.07648	8.9
267.12320	6.3
277.78296	2.7
309.47940	3.1
467.17108	3.5
485.13382	3.8
485.23914	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	485.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.1
51.02370	0.1
51.35995	0.1
52.01521	0.1
55.05502	0.5
57.07063	0.2
64.29871	0.1
65.03931	1.1
66.79047	0.1
67.05502	0.2
69.03425	0.2
69.07076	0.2
69.35484	0.9
71.04980	0.1
78.04704	0.4
79.05483	0.7
81.03400	0.4
81.07052	0.4
84.13127	0.1
85.06546	0.3
91.05474	50.2
92.05803	0.3
93.07034	0.4
95.08611	0.2
97.02888	0.4
97.06544	0.1
98.21500	0.2
103.05488	0.6
104.06242	3.7
105.07023	9.7
107.08596	0.2
109.06478	0.2
111.08067	0.5
117.06994	0.3
118.07799	0.2
119.85278	0.1
123.08070	0.5
127.07546	0.2
129.06955	0.1
131.08528	0.5
133.10120	100.0
134.10440	1.5
147.06923	0.2
147.08037	3.3
149.09624	0.5
153.09102	0.4
158.67296	0.1
165.09151	0.1
169.08609	0.2
171.10158	0.4
189.11200	0.2
265.92816	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	485.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.6
55.05508	34.3
57.03431	4.3
57.07063	8.1
57.92543	2.6
67.05497	34.1
69.03422	19.5
69.07064	51.2
69.77404	12.9
69.77816	5.1
71.04986	7.0
74.03339	2.5
79.05486	26.3
81.03414	26.4
81.07047	100.0
83.04965	6.0
83.08602	14.8
83.73814	2.7
85.02896	12.3
85.06532	7.7
89.45122	2.4
91.05465	20.9
93.07036	59.3
95.04929	11.5
95.08597	92.3
97.02880	8.1
97.06535	9.6
97.10162	32.1
99.04442	6.3
99.08067	3.2
102.07472	2.4
103.05431	4.0
105.07021	34.7
107.08582	52.6
109.02888	13.4
109.06517	11.5
109.10140	46.5
111.04422	3.4
111.08060	16.9
111.11719	8.7
117.06940	5.7
119.08562	28.0
121.06446	3.1
121.10131	36.7
123.04468	3.7
123.08054	4.0
123.11700	41.5
125.09641	13.6
127.03915	16.5
129.07008	3.3
131.08568	6.9
133.10118	27.2
135.08005	5.7
135.11714	25.4
137.09618	4.0
137.13239	10.7
139.11174	15.6
139.37909	2.6
143.08493	5.0
143.10678	2.9
145.06430	3.9
145.10120	11.4
147.04405	3.1
147.08005	3.1
147.11684	25.2
149.13232	36.9
151.07491	3.3
151.11102	7.0
151.14754	4.3
153.12776	4.0
154.56071	2.5
157.10089	5.6
157.12170	8.2
159.11691	14.8
161.13205	12.0
163.14848	13.3
165.12762	6.0
167.14264	3.1
171.11746	3.0
173.13210	7.0
175.07553	2.9
175.14767	4.9
177.05431	3.4
177.12732	3.0
177.16356	7.6
185.13396	3.9
187.14702	4.3
189.16336	8.0
203.14391	3.2
203.17934	3.1
205.15842	3.4
213.12711	4.2
219.17323	2.9
249.18553	5.1
259.24191	5.9
269.22720	6.3
277.25198	8.1
287.23691	5.9
293.24908	3.4
305.24698	30.2
323.25705	7.2
326.53769	2.8
367.26376	4.6
385.27328	2.9
413.26755	6.1
431.28033	14.3
449.28629	15.0
459.48984	2.6
467.29858	10.8
485.30853	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	486.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57957	0.1
53.03936	1.0
55.35318	0.2
57.03424	0.2
65.03930	0.4
69.03427	0.9
70.06598	0.2
70.99571	0.5
71.04977	0.5
71.52270	0.2
80.04993	0.4
81.03407	1.3
85.01126	1.4
85.02895	0.5
89.31545	0.2
91.05466	0.5
97.02885	11.2
99.04437	0.7
102.03775	0.2
103.02179	0.4
109.02866	1.6
112.02172	2.2
112.07951	0.2
117.42692	0.2
119.04955	0.2
127.03911	2.7
130.69484	0.2
137.05925	0.6
139.03909	0.2
140.01627	2.3
157.01924	0.5
158.02692	1.2
161.05984	0.2
165.05399	0.2
170.02693	7.4
170.04150	0.4
178.08446	0.2
188.03751	100.0
189.04073	1.3
210.05760	0.3
230.04774	0.6
236.79582	0.2
266.04721	0.3
296.05853	0.5
310.69583	0.2
314.06894	23.2
315.07074	0.5
327.12894	0.2
332.07999	1.8
341.14413	0.2
371.42081	0.2
468.13687	0.4
486.14297	0.4
486.20428	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0842
Annotation	Tjipanazole E
Peak:m/z	Relative Intensity
54.60744	0.4
57.62194	0.4
59.22198	0.4
61.02903	0.6
64.95873	0.5
69.03423	0.6
69.47057	3.8
70.06580	0.8
71.04980	0.5
81.07048	0.4
85.02899	0.8
91.05535	0.4
93.07016	0.5
97.02895	0.6
116.04905	0.4
149.09673	0.7
163.07231	0.4
177.05328	0.4
185.04214	14.9
239.10298	0.7
312.49023	0.4
324.02362	7.8
325.03159	9.0
325.17401	0.8
326.06854	0.9
355.16714	0.5
487.08456	100.0
487.21329	10.2
488.08627	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	487.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.7
53.03944	8.5
53.95293	1.0
55.01855	4.1
55.05503	22.6
57.03424	2.7
65.03915	3.8
65.66463	0.9
67.05497	61.2
69.03407	2.0
69.07059	13.0
69.87561	6.2
71.04977	2.8
73.06538	2.1
77.03907	1.9
79.05486	100.0
81.03408	13.1
81.07047	53.1
81.07525	2.4
83.04967	17.9
83.08614	8.2
85.02892	1.8
85.06530	2.5
91.05473	73.3
93.07033	69.0
95.04961	32.1
95.08598	35.7
97.06512	7.9
97.10140	4.2
103.05437	2.5
105.04472	3.1
105.07019	53.5
107.04941	8.8
107.08578	25.2
109.06523	9.1
109.10115	6.6
111.08049	3.1
115.05431	2.5
117.07005	12.6
119.08573	32.0
121.06516	3.2
121.10140	6.3
123.08053	8.5
127.07539	2.7
128.06184	4.6
129.06993	21.4
131.08562	5.7
133.06465	1.6
133.10117	12.7
135.08061	2.1
135.11658	2.9
137.09618	1.7
143.08522	12.6
145.06506	1.6
145.10124	12.2
147.08026	4.1
147.11667	41.6
151.07521	2.2
151.11212	1.6
157.10097	1.6
159.11653	3.1
161.09601	4.6
161.13232	20.4
162.82762	1.1
163.11182	2.6
165.09088	3.2
171.11670	36.2
172.12039	1.8
177.09117	1.0
179.14346	4.0
189.12727	16.7
207.13773	41.1
225.14796	10.3
249.15897	1.2
263.16327	1.8
281.17593	5.6
301.67334	1.2
385.65152	1.1
388.70123	1.4
487.30481	44.0
488.30872	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	487.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95148	3.7
52.17123	4.4
53.03931	5.0
55.01846	5.1
55.05505	23.5
57.03429	10.1
57.07070	7.3
67.05502	40.6
69.03433	25.5
69.07062	39.3
69.43806	4.4
70.68509	10.7
70.68826	4.0
71.08596	4.4
73.02917	4.7
79.05476	19.5
81.03413	21.1
81.07043	94.0
83.04966	8.6
83.08604	15.6
85.02898	23.7
85.06528	12.8
91.05476	24.7
93.07041	53.5
94.07325	5.2
95.04946	11.8
95.08591	100.0
97.02880	15.3
97.06515	11.0
97.10154	19.0
98.42351	4.3
99.04440	6.4
99.08070	10.0
105.07025	31.2
107.04954	6.1
107.08591	48.1
109.02885	11.0
109.06514	10.3
109.10155	58.1
111.04403	8.1
111.08070	17.9
111.82176	4.6
115.03893	6.0
119.08563	35.1
121.06503	4.1
121.10142	30.0
123.04443	4.8
123.08065	9.1
123.11680	27.8
125.09641	10.4
127.03896	15.5
128.06229	5.5
131.08543	9.5
133.06407	4.8
133.10107	22.0
135.08044	6.1
135.11664	23.4
137.05945	20.8
137.09612	12.1
137.13277	8.2
139.11186	10.0
143.08554	5.3
145.05042	4.4
145.06314	4.5
145.10080	9.9
147.04405	6.2
147.08014	7.5
147.11662	18.5
149.09650	5.6
149.13231	23.1
151.07559	7.4
151.11168	8.6
151.14757	13.1
157.10123	7.4
159.08116	6.6
159.11681	11.0
161.09598	7.1
161.13281	5.8
163.03899	9.6
163.07559	5.1
163.14862	13.8
165.09117	11.5
167.07036	7.2
171.11694	5.9
173.13229	6.3
175.03883	5.3
175.11223	5.0
175.14836	11.4
177.05438	8.0
177.09119	5.7
177.16386	6.1
187.14853	6.8
189.09116	7.0
193.15878	17.5
229.16013	4.8
287.23828	4.4
289.25192	14.1
384.89307	5.2
397.27185	7.7
415.28177	17.2
433.29538	28.3
451.30710	6.0
487.16940	8.5
487.32138	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.4
55.01839	7.9
55.05512	15.9
65.03929	9.2
67.05495	40.8
69.07060	16.5
70.12752	26.8
71.04986	23.6
72.88622	5.4
79.05486	51.7
81.03436	9.7
81.07059	41.0
82.07377	5.4
83.08618	8.7
85.02905	7.1
85.06571	6.2
91.05475	62.6
93.07034	100.0
95.04961	20.1
95.08585	38.7
97.06518	8.5
97.10139	6.2
103.05380	6.4
105.07030	57.4
107.04960	13.0
107.08577	41.1
109.02850	5.8
109.06518	6.7
109.10133	19.3
110.66702	6.1
113.06032	11.5
114.20861	6.0
115.05472	7.4
117.07005	80.7
119.04935	6.7
119.08577	32.0
121.06618	5.3
121.10123	19.0
123.04421	11.2
125.05969	11.6
127.03928	7.1
129.07047	16.3
131.08566	61.7
133.10124	36.5
135.08041	17.6
135.11697	46.7
137.05986	20.7
137.09689	5.7
138.58528	5.1
143.08554	15.1
145.10103	31.6
146.00937	5.5
147.04373	7.5
147.11699	14.5
151.07516	8.7
153.09082	6.7
155.08472	6.2
157.10110	8.1
159.11678	51.9
162.03244	5.9
163.07561	6.2
165.05519	6.1
165.09132	8.8
167.07059	35.2
167.08467	10.0
169.08669	10.5
171.11691	15.0
173.13237	61.1
175.14847	19.2
177.05453	7.4
181.04933	18.3
185.13190	6.0
195.11696	10.0
197.53264	6.3
211.14835	7.8
213.16394	26.1
227.17917	6.2
237.16429	23.5
243.89497	6.5
255.17403	22.5
273.18463	39.8
327.12329	7.7
369.57568	5.9
489.17563	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20574	5.3
55.01857	9.5
55.05506	16.8
57.07062	5.0
67.05505	40.3
69.03419	7.3
69.07051	16.2
70.55144	20.2
71.04968	13.1
71.12532	5.3
79.05478	57.0
81.03416	17.5
81.07050	36.7
83.04991	8.4
85.02898	11.6
87.55421	5.0
91.05467	80.3
93.06466	10.3
93.07034	100.0
95.04956	18.9
95.08598	23.8
97.02900	6.3
97.06515	12.9
99.04400	6.3
105.07014	55.9
107.04951	13.1
107.08565	42.3
109.06517	10.5
109.10159	16.0
111.04434	10.9
113.05981	6.4
114.73829	5.3
115.05497	6.3
117.07003	90.3
119.04930	6.5
119.08553	26.4
121.06499	11.6
121.10152	11.8
123.07982	6.5
123.11822	5.5
125.05999	11.3
127.03867	6.2
129.07057	30.5
130.07709	6.5
131.08548	89.2
133.06500	6.9
133.10115	41.6
135.08044	22.3
135.11702	43.8
137.05966	18.0
137.09569	7.3
139.07530	6.7
141.06950	8.0
143.06975	7.3
143.08543	20.8
145.10077	34.6
147.11684	14.6
149.13257	9.1
151.07533	14.3
157.10078	20.6
159.11676	72.0
165.05571	6.0
167.07027	26.8
167.08418	10.7
169.10046	9.6
171.11688	16.8
173.13248	83.4
174.13495	6.8
175.07474	8.0
175.14787	18.1
177.05426	10.8
181.04991	13.9
181.10106	7.2
185.13342	8.6
189.12695	7.2
195.11705	16.4
207.13724	12.4
209.13251	8.8
211.14801	14.2
213.16348	21.0
237.16374	25.5
253.08772	8.1
255.17403	29.7
273.18448	54.0
291.19482	8.3
327.12408	6.7
489.17673	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	489.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45684	1.8
55.05496	3.4
56.74296	1.6
67.05486	5.9
71.53004	3.7
79.05479	5.5
81.03397	1.9
81.07036	7.5
82.59793	1.7
91.05466	24.5
93.07019	3.7
95.04961	3.2
95.08605	5.3
98.98450	3.0
103.05453	17.5
105.07018	8.3
107.04936	8.0
107.08577	5.3
107.71216	2.0
109.06506	4.2
109.10136	3.1
115.05448	7.5
116.06226	2.6
117.07014	8.9
119.04918	8.1
119.08564	3.1
121.06489	6.8
121.10178	2.0
122.03646	2.8
128.06200	15.6
129.07002	5.3
131.04919	11.0
131.08568	12.6
132.05655	2.8
133.06436	3.6
135.08031	3.2
136.05211	2.2
137.04991	3.7
137.05963	42.9
141.07031	4.4
143.08537	20.0
144.05707	3.1
145.06470	17.8
145.10139	2.3
146.07251	13.0
147.04372	2.0
147.08083	3.3
148.05203	3.6
149.05914	3.0
151.03981	2.3
151.07520	33.7
151.08636	2.5
155.01001	4.7
157.06482	2.5
159.08070	9.7
160.05185	2.3
160.08826	4.6
161.05968	6.6
161.09622	18.5
162.06747	6.0
163.07553	14.5
165.09122	5.4
171.08014	16.0
173.05887	4.7
174.06694	2.1
175.07545	21.7
175.11188	5.7
176.08336	5.0
177.09100	18.2
186.06798	3.6
187.07558	7.0
188.08316	30.7
189.09073	7.0
191.10660	47.5
199.24361	1.8
201.09077	5.1
203.10643	100.0
204.10977	2.2
205.12202	2.6
219.07994	2.0
224.08368	1.9
233.09575	5.1
235.07634	3.9
249.09143	3.1
252.81847	2.3
261.09012	4.4
261.22006	2.4
265.12149	2.9
275.10455	2.3
278.09348	2.9
279.10062	3.6
293.11670	4.3
297.11093	3.1
299.12711	4.0
301.12192	2.0
311.12820	2.3
313.14362	2.7
321.11240	2.8
325.14355	11.9
333.14786	3.9
335.25839	2.7
336.13477	3.0
365.17395	8.5
489.22800	33.3
489.35303	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	489.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22232	1.4
53.03939	1.9
53.46185	1.3
55.01870	1.5
55.05502	3.2
57.03427	3.1
65.03921	2.0
67.05502	12.6
69.07056	3.5
69.12662	1.6
79.05495	10.0
81.07046	10.4
83.08610	2.0
91.05476	30.2
93.07021	9.2
95.04942	4.5
95.08605	8.9
98.98442	9.7
103.05455	15.6
105.07025	11.3
107.04943	10.9
107.08588	6.0
109.06506	2.0
109.10152	7.9
111.93213	1.2
115.05450	8.8
115.52240	1.3
116.06199	2.6
117.06996	11.4
119.04944	8.2
119.08591	5.4
121.06462	8.0
121.10157	5.4
122.03619	2.9
123.08180	1.4
123.11701	2.1
127.99890	1.3
128.06218	10.7
129.06973	6.8
131.04922	12.4
131.08568	16.4
133.06497	3.6
133.10127	4.3
134.18391	1.5
135.08060	3.6
135.11673	3.4
137.05966	40.7
141.06990	3.4
142.07742	1.6
143.04906	1.9
143.08549	17.9
144.05725	2.8
145.06473	16.5
145.10161	3.1
146.07269	13.8
147.04446	2.7
147.08054	3.5
147.11620	2.2
148.05200	5.9
149.05998	3.6
149.09631	3.1
149.13225	2.4
151.03827	2.2
151.07532	33.2
155.01056	9.1
157.06444	2.6
158.07283	3.0
159.08020	9.2
160.05133	2.0
160.08835	5.1
161.05968	5.9
161.09587	17.5
161.13278	3.1
162.06760	7.6
163.07510	18.4
163.14783	1.8
165.09123	4.8
171.08034	23.5
173.05957	6.2
173.09648	2.2
173.13249	2.7
174.06596	1.9
175.07524	22.5
175.11163	4.0
176.08290	7.1
177.09084	17.9
186.06807	1.8
187.07552	5.1
188.08330	32.6
189.09103	6.2
191.10648	40.9
201.09138	3.8
203.10649	100.0
205.12227	3.5
218.07336	1.5
225.09070	1.7
233.09557	4.5
235.07494	2.3
239.10719	2.2
243.21019	3.0
249.09109	2.0
251.10629	1.6
253.08653	2.4
261.09152	5.5
261.22141	4.1
265.12149	1.5
267.10229	3.3
275.10629	1.4
279.10309	2.5
293.11655	5.5
297.11252	3.6
299.12854	7.1
301.12137	1.6
302.16705	1.5
310.11877	2.1
311.12650	1.5
313.14355	3.7
317.24725	1.7
321.11075	1.8
325.14359	12.2
326.14847	2.8
333.14847	5.3
335.25800	12.2
339.15936	1.3
350.15155	1.5
365.17374	8.9
471.24811	1.9
489.22598	26.8
489.35699	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	489.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.1
55.05504	10.7
57.03419	9.4
66.62052	2.3
67.05498	44.3
69.07054	8.5
69.96220	2.2
74.67676	2.2
76.11634	2.1
77.50457	2.0
79.05489	28.1
81.07052	44.8
83.08606	7.0
91.04958	3.9
91.05473	36.9
93.07046	31.0
95.04938	6.2
95.08595	34.9
98.98458	48.2
99.26762	2.2
103.05460	16.1
103.57653	2.3
105.07031	18.6
107.04949	8.8
107.08580	23.5
109.06559	3.8
109.10177	18.0
115.05416	6.6
116.06217	2.2
116.99497	2.3
117.07021	15.9
119.04948	6.5
119.08557	14.8
121.06499	7.2
121.10152	17.1
122.03679	4.4
123.11711	8.7
128.06201	13.0
129.07018	5.1
131.04932	13.3
131.08553	21.7
133.06522	3.8
133.10152	11.3
135.08047	5.3
135.11681	13.9
136.99983	4.9
137.04997	3.6
137.05974	39.3
137.13206	2.6
141.06940	4.6
143.08537	17.4
145.06479	16.1
145.10109	8.7
145.33182	2.4
146.07251	12.6
147.04391	2.7
147.07999	3.3
147.11674	9.6
148.05203	5.1
149.05995	3.5
149.13245	8.7
151.07516	35.4
153.07091	2.8
155.01006	42.7
157.06496	2.9
159.08000	7.1
159.11679	8.3
160.08856	3.0
161.05952	4.8
161.09659	15.1
161.13272	6.5
162.06783	4.0
163.07550	13.3
163.14816	5.1
165.09134	6.6
171.08015	15.1
173.06017	4.6
173.13223	6.6
174.06694	2.2
175.07578	20.6
175.11153	5.7
175.14749	2.8
176.08302	7.1
177.09100	15.9
177.16498	2.2
186.06705	3.5
187.07492	5.2
187.14774	5.1
188.08301	29.2
189.09119	4.6
191.10657	43.2
201.09140	2.9
203.10637	100.0
205.10197	2.6
205.12196	4.1
211.03625	2.6
229.55588	2.5
233.09642	3.4
243.21037	14.0
261.09262	5.1
261.22079	25.4
275.10782	3.1
290.34601	2.6
293.11688	4.6
299.12799	7.3
299.23730	2.9
311.12711	4.0
313.14355	4.1
317.24637	12.0
325.14346	14.3
326.15262	3.0
327.15533	2.5
333.14859	6.0
335.25778	68.0
365.17465	6.7
397.30875	2.5
439.71622	2.4
471.25082	13.2
489.22446	31.9
489.35965	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	489.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55966	8.6
55.05502	18.3
67.05489	33.7
67.70773	7.2
69.03406	16.9
69.07063	30.7
70.87468	18.1
79.05486	40.0
81.03423	14.7
81.07059	98.0
82.07384	10.2
83.04958	8.1
83.08631	15.3
85.02876	15.7
85.06519	12.6
91.05478	40.2
93.07035	62.1
95.04937	15.8
95.08605	72.8
97.02885	11.1
97.06552	7.9
97.08630	7.7
97.10148	12.9
100.51983	9.1
105.07025	39.9
107.04942	23.0
107.08617	40.9
109.06484	13.8
109.10131	47.1
115.05464	14.4
116.67667	8.1
117.06976	24.7
118.09361	9.1
119.08554	28.7
121.10139	28.8
123.04427	16.5
123.08061	11.6
123.11684	25.6
127.03886	10.4
131.04904	11.4
131.08556	31.0
133.10089	28.4
135.08113	8.6
135.11653	26.4
137.05917	47.0
137.09627	21.7
143.08469	12.1
145.06456	15.8
145.10097	13.7
147.04375	16.2
147.11694	14.2
149.09593	10.6
149.13217	19.8
151.07510	23.7
159.11670	11.0
161.05923	17.8
163.07492	11.9
163.14793	14.7
165.05446	17.5
165.06989	8.8
165.09102	73.1
167.07040	100.0
171.06464	10.2
173.05952	14.1
177.05534	13.7
181.04921	99.1
191.06889	12.1
203.06873	9.6
233.08020	13.6
239.09029	19.7
253.08543	10.1
265.08682	8.5
273.25635	10.9
285.11075	11.4
291.26935	13.6
327.12244	22.9
363.31006	8.5
363.39703	8.3
416.14447	12.6
459.16403	17.6
489.17438	82.4
490.18063	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.2
53.68375	6.8
55.05499	30.0
57.07058	8.9
65.03964	8.4
67.05499	53.1
69.03408	9.1
69.07068	51.8
69.60844	49.1
79.05478	39.4
80.23491	6.9
81.03405	14.2
81.07048	100.0
83.04983	10.3
83.08604	17.0
85.02927	16.1
85.06551	7.0
91.05466	41.0
93.07037	60.9
95.04968	14.8
95.08598	71.2
96.08956	7.7
97.06516	7.8
97.10139	7.1
99.08047	11.6
105.07038	39.8
105.09962	7.1
107.04947	16.5
107.08589	33.8
109.02863	11.0
109.06505	13.9
109.10152	44.8
111.04407	9.4
111.08034	8.3
111.11780	6.7
115.05418	7.8
117.06996	24.9
119.04926	6.7
119.08572	32.8
121.06494	13.5
121.10127	33.7
123.04398	16.2
123.11659	15.9
125.05941	7.5
131.04984	6.6
131.08588	15.2
133.10127	18.4
135.08017	7.7
135.11700	33.8
137.05974	34.7
137.09602	18.4
143.08572	8.3
145.06467	13.2
145.10048	14.9
147.04410	10.6
147.11610	9.4
149.09570	11.5
149.13237	21.5
151.07539	21.8
155.45375	7.8
157.10136	8.6
159.11728	17.4
161.13251	12.2
165.05513	16.9
165.09070	46.7
167.07062	80.7
173.06018	16.7
174.13591	8.1
175.07628	9.5
177.05737	8.4
179.06932	8.8
181.04939	44.8
187.07626	8.9
191.07056	12.8
203.07008	13.4
215.14583	8.3
239.09219	10.5
273.25760	14.8
274.18884	8.3
309.28162	8.2
327.12231	22.2
385.12854	7.6
459.16641	9.7
489.17337	51.1
490.18015	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	489.3572
Annotation	Cimigenol
Peak:m/z	Relative Intensity
50.19971	1.1
53.03940	3.6
55.01875	1.5
55.05508	17.5
57.03421	4.8
57.07071	3.2
59.04988	1.5
65.03922	2.8
67.05501	55.6
69.07056	15.8
69.74765	6.4
71.04979	3.6
71.08653	1.6
79.05487	29.7
81.07046	38.0
83.04996	1.9
83.08624	8.0
83.99210	1.2
85.06554	3.0
91.05476	28.1
93.07035	34.6
95.04956	4.2
95.08604	28.9
97.06541	4.5
97.10153	5.1
98.89949	1.4
105.07019	28.3
105.82011	1.2
107.04955	1.5
107.08589	17.6
109.06503	1.4
109.10146	33.6
111.08051	1.8
117.07016	8.8
119.08563	28.7
121.10142	16.0
123.08075	2.1
123.11697	2.5
125.09699	2.3
129.06996	4.4
131.08563	19.7
133.10135	19.0
135.08067	2.0
135.11700	10.2
137.13217	1.2
139.11194	2.4
140.67331	1.4
143.08560	7.1
145.10107	17.1
146.07283	1.3
147.11682	11.8
149.13272	4.7
151.07529	2.3
155.08521	3.6
157.10097	5.6
159.11662	12.4
161.13251	8.0
163.14839	1.9
165.09073	2.4
169.10162	3.1
171.11679	6.3
173.11763	5.3
173.13289	7.2
175.14838	3.7
177.12698	1.6
183.11694	4.4
185.13243	6.0
187.14778	4.0
189.16330	1.7
197.13356	2.5
199.14819	3.8
211.14935	3.0
213.14745	1.8
213.16505	2.0
217.56567	1.4
218.39079	1.4
225.16414	1.8
231.17389	1.9
241.19579	2.0
259.20532	2.9
261.22189	4.3
266.23251	1.2
273.22156	2.3
285.22086	3.1
299.23489	2.7
313.25345	1.8
377.26819	1.7
379.29895	10.5
396.97900	1.5
397.30945	15.8
415.32117	5.1
433.33154	2.2
471.34766	13.9
489.35760	100.0
490.36151	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	489.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
53.88765	1.3
55.01862	1.6
55.05505	16.8
57.03424	4.1
57.07059	1.8
59.04990	3.1
65.03942	3.5
67.05135	3.6
67.05499	74.6
69.07061	12.1
71.04981	3.3
71.51978	1.5
71.52391	3.1
79.05484	32.0
81.07050	38.0
83.08616	9.9
85.06561	2.3
91.05476	23.6
93.07034	33.9
95.04960	4.1
95.08599	27.2
97.06512	2.6
97.10132	2.8
105.07025	19.4
107.04951	6.1
107.08598	16.7
109.06515	2.0
109.10148	41.8
111.08069	2.2
115.05503	2.4
117.07000	11.8
119.08576	26.9
120.36834	1.4
121.06538	1.5
121.10135	17.3
123.08079	2.3
123.11707	1.7
125.09608	1.9
129.07007	5.2
131.04842	2.5
131.08525	13.8
133.10124	16.5
135.04282	1.7
135.08124	1.4
135.11670	9.0
137.09579	2.1
138.09543	1.7
139.11166	2.1
141.06941	2.4
142.07806	2.0
143.08521	6.9
145.10085	14.3
146.07275	4.5
147.11667	11.7
149.13297	4.0
151.07544	14.6
155.08542	2.0
155.10733	1.8
157.10106	4.1
159.08101	1.9
159.11703	10.2
161.06035	2.0
161.13196	7.7
163.07562	6.1
165.09106	4.4
169.10136	2.1
171.08046	4.0
171.11641	4.1
171.42369	1.6
173.01790	1.4
173.11739	12.6
173.13289	7.4
175.07506	3.3
175.14864	2.5
177.09094	3.6
178.09889	5.1
179.10661	2.6
181.10129	2.0
183.11658	2.5
185.13286	6.2
187.14868	4.3
188.08292	2.8
189.08992	2.2
191.10687	3.5
193.08615	1.5
199.14914	3.0
202.10007	2.4
203.10635	7.6
215.10765	10.1
217.12132	2.8
224.89510	1.7
237.08897	1.9
252.11803	1.6
259.20676	1.6
261.22202	3.8
285.22205	1.6
299.23743	1.7
303.23282	1.9
337.14612	2.1
351.19565	2.8
379.30066	9.6
381.38104	1.6
397.31119	11.2
415.32199	3.7
433.33142	2.8
471.34564	9.5
489.35748	100.0
490.36108	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	490.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13287	0.4
58.97539	0.4
60.94451	0.4
61.02903	1.2
64.58244	0.5
68.62677	0.4
68.99770	1.1
69.03397	0.9
69.07074	0.5
71.04967	1.5
71.52604	0.9
72.54916	0.4
79.05476	0.7
81.03397	0.9
81.07038	0.7
83.04949	0.6
85.02888	3.2
91.05469	0.6
93.07041	0.6
95.08605	0.5
97.02859	1.5
105.86080	0.4
109.02837	0.8
109.06475	0.6
110.01464	0.5
119.08551	0.6
121.06498	0.5
121.10121	0.8
123.04446	0.5
123.08044	0.5
125.05952	0.8
127.03874	1.7
131.08473	0.8
137.02289	1.0
137.05952	0.9
145.02802	0.7
147.04419	1.2
153.01813	1.0
153.05444	0.7
153.06859	0.8
163.03941	0.5
163.07590	0.5
164.10693	1.5
167.06953	1.0
169.59065	0.4
171.04297	0.5
177.05432	1.3
181.06461	0.6
189.07565	0.9
195.25903	0.4
209.05943	1.6
213.05438	1.1
227.06984	0.8
237.05423	5.0
249.11285	0.6
255.06610	2.2
265.04922	7.9
266.05658	1.7
282.05096	0.9
283.05948	1.9
287.05560	2.3
293.04385	4.5
294.05200	1.7
300.08551	2.4
301.07092	1.3
311.05463	100.0
312.05820	3.1
313.07224	0.8
328.08115	67.4
329.06680	2.0
490.23355	1.1
490.33356	0.5
491.13141	0.5
491.29706	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.01870	2.1
55.05507	1.5
55.33576	1.2
57.03431	11.6
59.04994	1.0
61.80960	0.9
64.94814	0.9
66.06988	1.1
69.03426	2.7
70.42473	1.0
71.04991	77.5
71.52505	1.8
73.02911	1.9
75.04465	4.2
79.05482	1.6
83.04971	8.1
85.02902	100.0
87.04476	2.3
91.05476	1.7
91.89648	1.1
96.09520	1.0
97.02882	3.9
99.04457	1.5
103.05471	1.1
105.07019	5.8
107.04963	1.3
107.08605	1.4
111.04414	4.9
117.06982	1.5
119.04948	1.1
123.04435	1.3
127.03918	4.1
129.05475	44.0
131.04889	1.3
133.06488	4.7
137.05978	19.7
138.06390	1.0
141.87320	1.0
145.04971	2.5
145.06453	1.7
146.08080	2.3
147.04402	2.2
147.06503	19.3
147.07573	1.7
148.04791	1.5
151.07559	2.1
161.06013	2.1
164.09158	5.0
165.05588	1.3
165.09109	11.0
167.07047	11.1
175.07607	1.5
177.05421	1.1
177.09070	2.3
178.80902	1.1
181.04921	7.2
189.09102	4.2
191.10648	1.8
196.17769	1.0
201.09094	2.1
217.08607	1.4
219.10100	1.8
311.12750	1.3
385.13202	1.3
391.35968	1.0
490.22845	2.3
491.19095	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.05510	2.6
57.03432	11.6
61.02903	1.5
69.03419	5.1
69.38263	8.7
71.04986	85.2
73.02913	3.1
74.49474	1.0
75.04470	3.6
79.05483	2.0
81.03419	2.7
81.07059	2.1
83.04967	7.9
85.02895	100.0
85.06511	1.3
86.03241	1.4
87.04494	2.0
91.05485	2.7
93.07019	1.8
97.02881	4.4
98.21554	2.4
99.04416	2.0
100.11246	1.8
105.07035	5.5
106.78627	1.1
111.04454	3.6
113.89037	1.2
117.06982	1.7
123.04389	1.4
127.03931	3.2
129.05469	38.4
133.06474	7.1
137.05951	22.4
145.04942	2.8
145.06471	2.5
146.08078	1.7
147.04410	3.5
147.06493	16.5
147.38078	1.1
148.04692	1.5
151.07474	2.1
163.07547	1.3
163.21341	1.1
164.09177	5.3
165.09109	11.3
167.07007	11.0
173.06006	1.7
174.06738	1.3
177.09160	2.7
181.04907	6.1
189.09120	5.2
191.07068	1.8
191.10701	1.4
199.39380	1.2
201.09010	1.8
233.08144	2.1
255.08678	1.7
287.05472	3.2
490.23401	1.7
491.18643	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	490.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.01854	6.8
55.05512	19.5
57.07069	3.3
57.13747	3.6
65.03922	8.4
67.05495	49.9
69.07050	11.5
69.99038	20.1
70.56282	3.7
71.04975	15.3
79.05480	52.3
81.03395	5.9
81.07043	56.3
82.31209	3.6
83.08614	6.4
85.02887	4.9
91.05473	71.0
93.07041	47.7
95.04951	19.6
95.08588	45.5
97.06519	4.2
103.05489	4.0
105.07018	82.7
105.25903	3.6
107.04949	9.8
107.08578	18.7
109.06483	4.8
109.10142	10.2
111.04423	9.9
113.05989	14.6
117.06999	19.6
119.08567	53.2
121.06516	12.7
121.10131	20.4
123.04433	4.3
123.08023	6.6
123.11681	7.6
125.06011	6.2
129.06978	10.2
131.08546	39.3
133.06485	4.8
133.10127	29.9
135.07983	5.2
135.11708	18.0
137.06000	7.3
137.13217	6.1
139.07536	8.8
141.07037	6.4
143.06972	4.9
143.08530	8.3
145.06444	5.9
145.10120	37.6
145.58549	3.8
147.08031	4.6
147.11667	12.6
151.07533	5.7
151.34827	3.7
155.08542	8.0
159.11690	18.3
161.13208	12.4
162.13139	3.9
163.07564	5.1
165.09117	6.3
167.07004	10.2
169.08675	6.9
169.10112	9.4
171.11693	5.2
173.09512	8.2
173.13234	10.6
175.14809	65.0
177.09074	9.4
177.16403	8.9
181.04976	8.3
183.11761	4.9
185.13257	5.5
187.11087	7.9
187.14825	8.5
191.07062	4.3
191.10625	7.9
193.12210	7.6
197.13219	5.0
205.12274	7.6
213.16428	7.3
215.17970	26.8
219.13754	6.9
229.15894	5.0
229.19661	5.0
239.17972	10.9
257.18970	24.8
275.20026	100.0
293.21112	6.7
364.70016	3.7
381.48416	3.7
490.17874	4.8
491.19446	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	491.1907
Annotation	5-Hydroxy-7,4'-dimethoxy-6,8-di-C-prenylflavanone 5-O-galactoside
Peak:m/z	Relative Intensity
53.03929	1.6
55.01863	2.9
57.03438	0.9
61.02896	1.0
65.03931	1.4
67.05487	3.0
69.03416	3.6
69.07057	2.5
69.34722	7.9
79.05476	2.6
81.03397	2.6
81.07042	5.5
85.02893	6.8
90.19701	0.7
91.05475	6.6
93.07040	4.2
94.04189	1.4
95.04971	3.0
95.08604	2.1
97.02873	3.2
97.06493	1.3
97.10188	1.2
97.64313	0.8
99.04456	1.2
102.04605	0.9
103.05434	4.7
105.07024	3.4
107.04951	2.9
107.08596	2.4
109.02853	1.4
109.06509	2.5
109.10128	2.4
115.05441	4.9
117.03384	1.4
117.07034	2.1
119.04969	1.6
119.08572	1.9
121.06480	1.8
121.10137	2.3
122.03652	2.4
123.04403	2.7
123.08002	1.1
123.11707	1.0
125.06032	1.3
127.03930	1.3
129.06967	1.5
131.04900	8.6
131.08582	1.3
132.05713	1.1
133.06477	1.6
133.10106	1.9
135.08060	2.3
137.05968	35.2
139.03894	0.9
143.04912	1.4
145.02802	1.2
145.06453	3.6
145.10095	1.5
146.03644	1.0
147.04385	2.8
147.07942	0.9
148.05151	2.6
149.05984	3.1
149.09666	1.5
149.13182	1.1
151.03883	1.7
151.07513	2.7
159.04405	1.5
159.11771	1.0
161.05962	8.5
161.13249	1.1
163.03935	0.9
163.07536	19.0
165.05528	1.3
165.06978	2.1
165.09091	5.0
167.07030	17.8
168.07388	1.3
173.06009	3.9
174.06731	2.4
175.07524	5.9
176.07874	1.8
177.05490	4.4
178.07747	2.8
179.08502	3.0
180.09193	1.2
181.04951	11.5
181.06377	1.5
187.07593	1.0
189.06946	1.3
189.09085	2.5
190.07736	5.2
191.07010	10.7
191.08574	10.4
192.05635	0.8
192.07556	1.3
193.06544	1.7
194.07251	1.1
196.60368	0.9
203.08580	1.6
205.06644	1.2
205.08571	1.3
206.07208	1.2
207.08087	5.8
208.08681	5.7
209.07968	4.8
209.09711	0.9
211.07423	1.0
218.07234	5.5
219.08049	22.0
220.08784	5.8
221.05978	3.4
221.09685	1.7
222.06804	1.4
223.07332	1.3
223.11119	1.2
224.08154	1.1
225.08995	3.3
231.08249	0.9
232.08571	1.0
233.09677	1.2
234.06680	1.3
235.07484	5.7
236.08257	9.0
237.09009	1.9
238.09874	1.3
239.10739	1.3
247.07503	6.8
248.08221	1.9
249.05508	1.4
249.09058	2.9
250.09622	2.5
251.07150	1.0
251.07938	1.1
251.10620	9.4
252.07770	1.4
252.11058	1.0
253.08640	4.0
254.09258	1.0
261.08994	2.6
262.09790	1.4
263.06982	2.2
264.07724	5.6
265.08572	3.7
267.10117	2.5
268.10666	1.1
277.08484	1.9
278.09308	2.7
279.10129	32.3
280.10651	3.1
281.07956	6.8
283.09644	0.8
295.09601	3.7
296.10114	11.0
297.11063	0.9
299.12665	10.4
309.11441	1.0
310.12033	3.1
311.12714	100.0
312.13040	4.7
313.14285	6.8
329.13812	0.9
329.77838	1.0
387.14139	1.6
417.15503	1.2
461.18030	1.8
491.18903	6.7
491.25607	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.05507	3.3
63.02330	2.0
67.05488	3.3
69.07060	6.8
69.28075	16.4
79.05494	16.8
81.07046	4.5
83.08591	3.2
91.05474	21.8
93.07048	8.9
95.04951	3.7
95.08590	4.4
103.05459	7.7
105.07013	23.2
107.04942	4.2
107.08586	23.0
109.06509	2.3
109.10131	1.8
112.39402	1.7
115.05431	5.5
117.07008	5.5
119.04891	2.9
119.08574	7.3
120.05733	2.9
121.06502	29.3
123.04463	1.8
123.08041	4.0
128.06203	3.2
129.06976	5.0
131.04955	8.5
131.08565	6.0
133.06487	3.6
133.10117	6.8
134.07257	2.9
135.08044	34.0
137.05960	11.2
138.06784	2.2
143.08537	3.4
145.06476	9.6
146.07257	16.3
147.04420	2.7
147.08040	5.2
148.05122	2.0
149.05956	28.7
149.09595	5.6
150.06773	3.4
151.07513	21.7
156.09343	2.5
158.07266	4.1
159.08049	8.3
159.11636	2.2
160.08810	25.7
161.05952	5.8
161.09579	3.0
162.06705	3.7
163.07523	50.8
165.05498	2.3
165.06979	4.7
165.09106	16.9
166.07806	4.4
167.07127	3.8
167.08583	9.3
169.06520	3.4
171.08049	5.4
171.11732	1.8
173.09619	2.5
174.06775	3.5
175.07584	12.9
176.08322	4.5
177.05473	25.4
177.09079	25.0
178.07874	2.1
179.08546	8.0
179.10643	5.9
180.07784	4.4
180.09236	1.9
181.06554	2.8
181.10118	2.3
182.07256	2.6
183.08046	7.2
184.08813	7.8
185.09593	3.6
187.07588	4.5
188.08293	3.2
189.09093	18.9
190.10034	1.8
191.07030	29.0
191.10645	100.0
192.11107	2.4
193.08540	5.7
193.10143	3.5
194.07376	2.7
194.10980	4.2
195.08078	12.9
195.09993	15.4
196.08876	8.7
197.05963	11.5
197.09578	5.4
198.06761	4.1
198.10277	2.8
199.07559	4.5
199.11172	8.1
201.09131	7.0
202.09776	3.0
203.10670	8.0
205.08545	11.6
205.12132	2.1
209.09613	22.2
209.13196	11.1
209.14873	1.7
210.10371	3.8
211.07521	6.8
211.11176	3.6
212.08301	59.0
213.09091	12.2
215.07002	3.2
215.10637	4.5
217.08742	2.9
217.12199	8.1
219.13748	2.1
221.07953	2.2
222.10254	4.3
223.07475	3.0
223.11169	3.7
225.09132	6.1
226.09871	7.8
227.06985	5.1
227.10638	71.7
229.08539	5.7
229.12213	4.0
233.08029	14.1
236.11963	3.3
237.08984	2.1
237.12720	6.9
239.10666	6.9
240.07758	5.0
240.11394	4.4
241.08591	6.5
241.12196	6.3
241.15807	4.1
243.13757	4.0
245.11597	2.1
250.09854	2.1
251.14317	2.7
253.12199	3.0
254.12910	10.5
255.10155	54.7
255.13576	4.8
261.11124	5.2
265.12341	5.1
267.13800	3.8
269.15350	73.3
273.11237	2.5
283.17023	3.5
293.11575	3.0
297.14832	52.2
302.00116	1.8
307.16904	3.0
309.18576	2.2
335.16312	2.3
357.74539	2.1
367.15604	3.3
417.16568	2.5
445.23529	3.1
473.23468	11.0
491.24277	26.3
491.30542	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	491.2996
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03931	10.8
55.01859	5.3
55.05507	38.6
57.03430	13.8
65.03931	3.2
67.05497	70.7
69.03419	5.0
69.07063	15.9
70.78522	7.7
71.04971	4.9
77.03903	2.7
79.05482	90.6
81.03407	62.6
81.07047	62.7
83.04972	20.5
83.08611	19.5
85.02879	15.8
85.06546	5.0
85.44891	2.6
91.05468	100.0
93.07030	65.5
95.04951	38.3
95.08594	32.5
97.02885	5.4
97.06542	5.0
97.10147	12.0
98.96032	3.2
103.05428	4.8
105.04507	2.9
105.07016	61.7
107.04927	12.2
107.08569	25.2
109.06498	9.6
109.10139	6.0
111.08081	11.0
115.05441	5.3
115.31065	2.9
117.06991	19.8
119.04958	2.8
119.08559	42.8
121.06464	5.0
121.10116	13.5
123.08037	9.5
123.11710	7.7
125.05948	2.8
125.09632	6.5
128.06180	4.9
129.06973	27.9
131.08521	17.8
133.06482	4.7
133.10103	25.0
135.04369	4.0
135.08015	3.5
135.11655	3.3
142.07826	3.3
143.08586	13.5
145.10114	10.0
147.08002	3.4
147.11673	39.1
157.10130	9.8
159.11690	3.6
161.09593	3.0
161.13245	11.8
163.11182	4.4
171.03818	3.0
171.11662	25.5
175.11136	8.5
181.10088	2.9
185.13342	4.1
187.13127	3.1
189.11246	3.8
189.12772	11.8
193.12204	40.3
207.13803	18.9
211.13264	29.0
230.16916	3.0
243.15964	3.2
249.14864	8.5
267.15866	22.5
281.17477	17.8
363.23169	3.5
399.25275	6.4
421.66849	2.9
473.28876	38.9
491.30066	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	12.9
55.01867	13.9
55.05510	33.8
57.03422	14.0
59.05012	3.3
61.26448	2.9
65.03937	8.4
67.05173	5.8
67.05502	67.9
69.03420	7.5
69.07071	21.8
69.44421	3.1
71.04978	9.5
71.52737	4.8
79.05492	100.0
79.38358	3.0
81.03416	69.1
81.05258	2.9
81.07051	79.5
83.04971	28.1
83.08614	28.3
83.64069	2.9
85.02918	19.1
85.06547	5.7
85.60538	3.7
91.05477	98.9
93.07039	74.3
95.04964	44.0
95.08591	41.9
97.06528	11.0
97.10172	10.4
99.04488	3.7
103.05489	4.0
105.06393	6.1
105.07034	71.2
107.04939	15.3
107.08584	35.1
109.02886	5.4
109.06529	12.1
109.10158	18.8
111.08081	10.8
115.05476	6.4
115.79946	3.8
117.06995	20.5
119.04918	4.8
119.08582	45.2
121.06495	9.5
121.10166	21.1
123.04472	7.8
123.08053	10.0
123.11699	14.5
125.09683	6.6
128.06232	6.7
129.07010	31.7
131.08563	23.7
133.10136	22.4
135.08118	7.8
135.11696	14.3
137.05972	15.3
141.06931	3.1
142.07738	3.3
143.08563	14.9
145.06499	4.2
145.10114	23.3
147.04390	10.5
147.08028	6.7
147.11694	42.5
149.09557	6.6
151.07578	5.6
155.42175	3.8
157.06506	4.6
157.10110	10.0
159.11745	5.2
161.05978	5.0
161.09604	7.4
161.13252	14.0
163.11169	18.0
165.05464	6.6
165.09082	8.2
167.07030	21.4
171.11696	28.3
173.13216	3.1
175.11177	8.3
176.85481	3.0
181.04987	9.5
181.12300	3.7
183.11601	4.1
187.13269	4.7
189.09052	7.5
189.11266	6.8
189.12759	11.5
191.07056	8.7
191.10677	3.5
193.08580	3.3
193.12233	42.0
206.24474	3.6
207.13795	26.3
211.13260	32.3
211.14717	3.2
225.14786	4.5
226.67035	3.5
227.12706	24.5
243.15919	3.6
248.36212	3.8
249.14825	11.7
267.15891	23.7
281.17557	22.1
399.25415	7.9
473.28882	43.2
486.28391	3.4
491.19083	10.2
491.30423	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3002
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03938	7.0
55.01855	6.0
55.05512	30.7
57.03426	10.7
57.07029	2.9
65.03922	4.2
67.05500	70.2
69.03426	3.7
69.07058	21.4
69.87204	14.6
71.04975	10.8
73.06503	3.6
79.05484	83.2
81.03415	49.9
81.07050	74.9
83.04973	17.0
83.08617	27.5
85.02873	16.9
85.06523	9.1
91.05474	100.0
93.07035	72.8
95.04962	36.5
95.08603	37.0
97.02891	5.6
97.06514	10.9
97.10157	10.8
98.02181	3.0
98.84853	3.4
99.08080	6.2
103.05447	4.5
105.07022	61.0
107.04902	17.3
107.08574	23.9
109.06512	13.1
109.10148	13.4
111.04465	3.2
111.08054	7.3
115.05464	6.4
117.07053	21.9
119.08566	36.5
121.06431	5.7
121.10134	12.1
122.35741	3.5
123.04414	6.9
123.08063	7.3
123.11690	12.3
125.05984	5.1
125.09619	8.2
128.06165	5.2
129.06996	27.3
131.04897	4.2
131.08543	20.7
133.06488	5.5
133.10114	25.2
135.08070	5.6
135.11661	5.5
137.05997	9.0
137.09668	4.9
142.07713	5.4
143.08505	14.3
145.06468	8.3
145.10143	17.9
146.07233	3.6
147.04362	4.5
147.08020	8.1
147.11673	37.9
149.09647	7.8
149.13281	3.8
151.03922	3.7
151.07539	8.4
155.08505	3.5
157.10115	12.0
159.08069	4.8
159.11674	6.4
161.06020	5.1
161.13251	10.0
163.11165	3.6
165.09116	10.1
165.12848	4.3
167.07077	22.1
171.08119	3.6
171.11699	26.2
173.05945	3.5
173.13284	4.0
173.56758	3.3
175.07430	4.5
175.11180	10.3
181.05013	8.5
183.11757	3.9
187.13351	5.9
189.11176	4.9
189.12733	10.7
191.07031	4.3
193.12234	31.7
207.13837	20.3
211.13271	20.0
213.12506	3.8
233.07854	5.0
249.14688	6.1
267.15891	17.3
267.84680	3.5
281.17426	16.5
399.25302	7.3
473.28967	50.0
491.19165	10.1
491.30197	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	491.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15482	3.9
51.27121	3.9
54.45527	3.8
55.05502	19.8
57.07067	10.7
67.05499	39.4
69.03408	6.5
69.07063	52.3
70.58620	13.0
71.04984	7.0
71.08628	6.0
74.21980	3.9
79.05486	20.6
81.03412	8.6
81.07043	88.4
83.08609	27.4
85.02899	18.5
85.06529	8.7
91.05480	11.2
92.49933	3.6
93.07038	21.6
95.04961	7.8
95.08597	100.0
97.10153	20.1
99.08092	6.2
105.07001	8.0
107.04949	6.4
107.08578	14.9
109.02863	8.3
109.06561	4.7
109.10130	59.9
111.11723	16.5
113.09676	4.0
119.08575	7.2
121.06480	5.5
121.10099	15.0
123.04417	10.7
123.11692	38.4
125.09581	5.5
125.13287	7.3
127.03974	5.1
131.08592	5.6
133.10062	5.1
135.11659	11.8
137.05974	9.8
137.13254	19.8
143.14357	6.9
145.06502	6.5
145.10114	4.9
149.13242	18.0
151.03891	4.4
151.07564	4.9
151.14810	17.7
163.07419	5.7
163.14813	8.9
165.09177	19.1
165.16399	11.6
167.07040	32.1
173.05989	8.2
177.05457	10.4
177.09224	4.5
179.17949	3.7
181.04999	8.6
185.56831	3.9
191.06996	5.7
267.27036	4.4
275.27271	13.0
279.92090	4.0
281.28445	4.1
293.28403	21.1
311.29431	8.7
329.09949	6.0
349.52933	4.3
360.71783	4.3
415.72989	4.4
491.18655	13.1
491.25150	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	491.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.1
55.01862	5.7
55.05511	19.4
57.03410	3.1
57.07057	11.1
63.78100	3.0
65.03924	3.4
67.05495	41.4
69.03410	10.4
69.07058	49.1
70.74121	2.3
71.04990	3.1
71.08624	3.2
71.53090	4.7
79.05498	15.9
81.03403	8.5
81.07048	97.3
83.04996	4.0
83.08602	26.2
85.02889	20.1
85.06525	10.6
91.05457	15.8
93.07037	26.9
95.04942	10.6
95.08598	100.0
95.71127	2.2
96.88377	2.8
97.02876	5.0
97.06499	3.8
97.10159	21.0
99.04455	3.2
99.08083	11.6
100.61665	2.6
102.84765	2.6
103.05460	7.7
103.18688	2.7
105.07030	14.1
107.04947	5.6
107.08594	17.5
109.02874	5.0
109.06506	7.3
109.10140	69.0
111.08054	3.7
111.11712	12.0
117.06997	5.3
119.04912	2.8
119.08563	9.5
121.02870	3.7
121.06481	6.0
121.10106	17.6
123.04410	14.5
123.08059	6.7
123.11681	32.2
125.05981	4.6
125.13255	7.9
127.03914	3.2
127.11153	4.8
129.06960	3.3
131.04901	2.8
131.08569	5.6
133.06523	4.8
133.10112	8.5
135.04391	2.6
135.08020	3.8
135.11671	11.9
137.05984	11.2
137.09592	5.0
137.13234	18.2
139.07529	4.6
139.11186	2.6
139.14760	3.6
145.05066	3.4
145.06435	5.7
145.10088	7.7
147.04407	5.5
147.08037	3.2
147.11661	5.4
149.06024	5.1
149.13228	19.4
151.03911	4.7
151.07504	8.7
151.14857	16.6
159.07988	3.3
159.11688	3.9
161.06030	4.0
161.09572	4.7
161.54955	2.8
163.07507	5.6
163.11099	3.4
163.14816	12.3
165.05426	5.6
165.09065	22.7
165.16403	10.6
167.07039	39.1
168.07440	4.7
170.90483	2.5
171.11700	2.8
173.05957	9.4
177.05432	7.5
177.16383	5.6
179.17902	3.6
181.04991	16.1
181.06317	3.4
189.09149	3.4
191.07007	7.9
207.06454	7.6
207.21129	2.9
209.08020	4.0
219.13623	3.1
254.23485	2.7
275.27316	11.2
281.28357	6.4
293.28369	21.1
311.09421	3.3
311.12903	4.0
311.29398	7.8
329.10202	12.7
329.30447	3.7
387.14404	3.5
459.27390	3.7
461.17975	4.5
473.32193	3.9
491.18701	17.2
491.24954	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	492.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	3.5
57.07050	2.3
61.02924	1.2
65.03944	0.7
69.03424	1.5
71.04974	3.7
71.52343	0.9
73.02901	3.2
81.03415	1.2
85.02879	5.8
88.51065	0.8
91.05453	2.8
93.07041	1.2
95.04948	1.1
97.02855	1.9
105.07003	3.4
107.04939	1.6
117.03349	1.7
119.04939	1.0
121.06492	1.2
123.04427	0.9
127.03896	1.3
128.26833	0.8
129.05476	1.2
131.04884	2.9
133.10135	6.3
137.05954	17.1
137.06960	1.7
138.06287	1.0
147.04411	1.6
149.05960	1.4
150.06714	2.1
151.03888	1.0
151.07526	2.9
161.05943	9.5
161.09633	2.9
162.06770	2.9
163.07510	1.6
165.07001	2.1
167.07016	6.9
167.08461	1.9
168.07350	2.8
174.06548	1.8
175.07605	1.8
177.05486	1.1
177.06947	1.1
178.07767	1.7
179.08543	1.6
181.04951	1.2
181.06450	1.5
187.07512	1.2
189.09114	3.7
191.08469	1.3
192.09259	1.0
193.10115	0.9
194.07269	1.8
195.08055	5.7
195.23224	0.9
202.07753	0.9
205.06589	1.8
206.07210	2.1
207.08212	1.7
207.10115	8.0
209.05916	0.9
209.09587	1.5
210.06685	2.1
211.07559	2.3
212.08302	1.9
218.07248	1.2
219.08002	2.1
220.08807	3.1
221.05951	3.6
221.09601	3.9
222.06706	2.4
223.07542	5.7
224.08284	1.3
225.09117	4.3
227.10657	1.7
234.06650	2.0
235.07503	1.8
237.09013	4.4
238.06194	1.4
238.09793	2.0
239.06970	1.9
239.10751	1.0
240.07689	2.4
240.95952	0.9
248.08261	4.9
249.09088	3.3
250.06319	1.1
250.09631	0.9
251.07010	3.7
253.08624	7.2
254.09222	1.3
255.10197	3.0
263.10571	1.0
264.07727	1.3
265.08566	6.2
266.09387	7.7
267.10077	2.6
268.07437	1.2
271.09601	1.3
277.08517	1.6
279.10080	1.1
280.10916	1.2
281.08047	5.1
281.11392	2.1
282.09033	1.9
282.12277	1.9
283.09705	6.7
283.12558	1.3
285.11050	2.0
286.11969	3.9
293.11505	0.9
294.08856	1.7
297.11145	2.7
298.11981	3.3
299.12714	2.4
309.11185	5.1
310.11935	11.7
311.12650	5.8
312.13113	1.6
326.11301	1.1
327.12256	42.0
328.12625	1.0
329.13852	3.1
330.14545	18.3
341.13754	1.5
342.14587	100.0
343.14984	3.2
350.59320	1.1
370.04819	0.9
388.14890	0.8
411.05692	0.9
492.19229	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	492.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	3.5
57.07050	2.3
61.02924	1.2
65.03944	0.7
69.03424	1.5
71.04974	3.7
71.52343	0.9
73.02901	3.2
81.03415	1.2
85.02879	5.8
88.51065	0.8
91.05453	2.8
93.07041	1.2
95.04948	1.1
97.02855	1.9
105.07003	3.4
107.04939	1.6
117.03349	1.7
119.04939	1.0
121.06492	1.2
123.04427	0.9
127.03896	1.3
128.26833	0.8
129.05476	1.2
131.04884	2.9
133.10135	6.3
137.05954	17.1
137.06960	1.7
138.06287	1.0
147.04411	1.6
149.05960	1.4
150.06714	2.1
151.03888	1.0
151.07526	2.9
161.05943	9.5
161.09633	2.9
162.06770	2.9
163.07510	1.6
165.07001	2.1
167.07016	6.9
167.08461	1.9
168.07350	2.8
174.06548	1.8
175.07605	1.8
177.05486	1.1
177.06947	1.1
178.07767	1.7
179.08543	1.6
181.04951	1.2
181.06450	1.5
187.07512	1.2
189.09114	3.7
191.08469	1.3
192.09259	1.0
193.10115	0.9
194.07269	1.8
195.08055	5.7
195.23224	0.9
202.07753	0.9
205.06589	1.8
206.07210	2.1
207.08212	1.7
207.10115	8.0
209.05916	0.9
209.09587	1.5
210.06685	2.1
211.07559	2.3
212.08302	1.9
218.07248	1.2
219.08002	2.1
220.08807	3.1
221.05951	3.6
221.09601	3.9
222.06706	2.4
223.07542	5.7
224.08284	1.3
225.09117	4.3
227.10657	1.7
234.06650	2.0
235.07503	1.8
237.09013	4.4
238.06194	1.4
238.09793	2.0
239.06970	1.9
239.10751	1.0
240.07689	2.4
240.95952	0.9
248.08261	4.9
249.09088	3.3
250.06319	1.1
250.09631	0.9
251.07010	3.7
253.08624	7.2
254.09222	1.3
255.10197	3.0
263.10571	1.0
264.07727	1.3
265.08566	6.2
266.09387	7.7
267.10077	2.6
268.07437	1.2
271.09601	1.3
277.08517	1.6
279.10080	1.1
280.10916	1.2
281.08047	5.1
281.11392	2.1
282.09033	1.9
282.12277	1.9
283.09705	6.7
283.12558	1.3
285.11050	2.0
286.11969	3.9
293.11505	0.9
294.08856	1.7
297.11145	2.7
298.11981	3.3
299.12714	2.4
309.11185	5.1
310.11935	11.7
311.12650	5.8
312.13113	1.6
326.11301	1.1
327.12256	42.0
328.12625	1.0
329.13852	3.1
330.14545	18.3
341.13754	1.5
342.14587	100.0
343.14984	3.2
350.59320	1.1
370.04819	0.9
388.14890	0.8
411.05692	0.9
492.19229	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	492.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81306	0.5
51.68262	0.6
53.03918	0.7
61.02887	0.7
69.03394	1.9
69.82559	1.4
69.82972	2.5
70.06561	0.8
71.01261	0.6
73.02902	0.6
79.05437	0.7
81.03385	1.2
85.02905	3.3
85.03294	0.6
91.05477	3.1
95.04893	0.7
97.02863	2.0
99.04449	0.8
109.02827	0.9
109.91833	0.6
115.04813	0.6
115.05446	6.8
117.06949	0.8
119.04910	1.6
121.02834	1.9
122.03590	2.1
127.03909	1.6
131.04887	0.8
137.05957	41.0
138.06297	0.7
138.28197	0.7
139.03874	0.7
143.04912	21.8
144.05504	0.7
147.04326	0.9
149.05899	1.1
151.03960	0.6
151.07523	6.0
160.05128	3.4
161.05956	1.2
163.03920	1.0
163.07469	2.0
164.07028	1.8
167.08514	1.2
175.07520	24.1
177.07826	12.2
177.09277	0.9
178.08606	1.8
179.08484	1.3
181.06441	0.9
192.10164	100.0
193.10515	1.1
195.07979	2.3
196.09154	0.6
207.08000	3.5
210.07608	1.3
227.10661	2.5
234.55319	0.7
235.07492	2.1
239.08319	0.6
239.10500	2.7
255.10126	1.3
267.10114	2.5
269.08194	0.6
287.12881	1.0
298.14294	1.4
299.12726	8.7
330.16980	23.0
354.15417	33.9
355.15466	1.0
421.30530	0.6
492.22226	61.4
493.22644	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1697
Annotation	Monnieraside II
Peak:m/z	Relative Intensity
53.03938	2.0
69.03418	3.9
69.65033	7.2
69.65444	4.1
71.04976	2.0
73.02903	3.3
79.05478	2.1
81.03389	4.0
81.07021	5.8
85.02885	7.7
85.06539	2.3
86.75462	1.7
89.03905	10.2
91.05464	5.2
93.07008	5.2
95.04946	2.3
95.08595	2.6
97.02882	4.1
103.05451	1.8
105.06992	3.9
107.04955	2.5
107.08596	4.1
109.02887	2.3
109.10126	2.1
117.03360	26.2
119.08585	2.3
121.02841	4.6
121.06477	4.0
121.10068	2.7
123.04438	2.4
123.08040	2.2
123.11697	3.6
129.69339	1.9
134.03577	2.7
135.04405	1.7
135.11670	1.8
135.17680	2.2
137.05952	13.9
139.03908	2.1
145.02829	53.7
147.04362	5.8
149.05945	10.9
151.03896	14.4
151.07520	4.7
151.11211	1.9
161.05925	6.5
163.03819	3.9
163.07492	5.1
165.05457	2.7
167.07008	4.3
177.05455	100.0
177.08971	10.3
179.06973	3.4
181.04903	2.0
181.08594	2.1
185.11681	2.5
189.09023	2.2
193.04916	2.9
193.08499	2.4
203.07111	3.1
221.11575	2.2
245.07939	2.1
253.08452	1.9
266.09344	2.3
267.10141	2.7
284.10022	2.5
285.11234	1.9
311.12421	4.1
312.12921	2.3
327.12271	4.5
328.12479	10.2
330.14349	2.1
331.15076	5.6
342.14548	6.5
343.14969	30.6
361.16208	3.1
493.20535	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07542	0.4
51.02367	0.5
53.03930	0.5
55.01856	0.3
55.05495	0.8
65.03917	1.0
65.15401	0.3
66.04716	1.0
67.05489	1.0
69.03406	1.0
69.07045	0.5
71.04990	0.4
71.53133	0.3
73.02905	0.6
75.93257	0.3
76.83342	0.3
79.05480	2.4
81.03402	0.6
81.07054	1.9
81.50494	0.3
83.04952	0.4
85.02888	1.4
85.06543	0.4
91.05476	8.9
91.06069	0.4
93.07033	2.1
94.04176	4.9
95.04962	2.6
95.08600	0.9
97.02887	0.4
97.06539	0.5
103.05447	5.6
105.07037	2.9
107.04932	1.3
107.08562	1.3
109.02880	0.4
109.06504	1.6
109.10142	0.6
111.04407	0.9
115.05433	0.9
117.07024	1.3
119.04927	4.7
119.08599	0.6
121.06520	2.1
121.10126	0.6
122.03637	10.6
123.04428	1.1
123.08045	0.4
123.11682	0.3
125.05957	0.6
127.03892	0.7
128.06236	1.1
129.06952	1.8
131.04918	7.0
131.08531	0.7
133.02898	0.5
133.06465	2.6
133.10114	0.5
135.04387	1.3
135.08034	2.2
135.11693	0.6
136.05185	1.2
137.05965	100.0
138.06306	1.4
141.06969	0.9
143.04974	0.4
143.08630	0.4
144.05655	0.5
145.04909	0.5
145.06480	2.3
147.04378	1.6
148.05116	0.4
149.05983	4.2
149.09557	0.6
149.98714	0.3
151.03912	0.8
151.07533	22.9
152.06133	0.8
153.06955	0.4
157.06488	1.3
159.08130	1.0
160.05168	0.6
161.05945	3.5
162.06737	0.6
163.03902	0.6
163.07527	14.3
165.06985	2.7
165.09073	1.9
166.07736	0.9
167.07037	2.3
167.08572	4.2
169.06445	0.9
171.08061	0.4
174.06779	1.3
175.07547	3.1
177.05440	0.9
177.06973	0.8
177.09079	1.5
179.08546	0.5
181.05035	0.5
181.06369	1.6
181.10083	0.4
182.07259	1.2
183.08055	0.5
184.08757	0.4
187.07494	2.3
189.09103	4.3
191.08575	0.8
191.10583	0.5
193.06480	1.2
194.07208	0.7
195.08047	5.4
196.08867	0.4
197.05975	1.1
197.09639	0.5
199.07521	0.6
201.09088	1.4
202.07661	0.4
203.08626	0.6
203.10643	1.4
205.08463	0.4
207.08057	0.6
208.08841	0.5
209.06071	0.4
209.09662	0.8
210.06769	2.2
211.07625	0.6
212.08281	1.1
213.09151	0.5
219.08136	0.7
219.10153	0.7
221.06012	2.9
221.09586	0.9
223.07570	2.3
224.08319	1.8
225.09160	2.7
227.10660	6.8
227.12830	0.3
231.08006	0.6
233.09521	0.6
235.07613	0.9
236.08305	0.4
237.09001	0.9
238.06239	1.4
239.06975	0.4
239.10722	0.8
240.07884	0.5
247.07669	0.7
249.09091	0.6
250.09926	0.4
251.10707	1.7
253.08598	3.4
253.12189	0.6
254.09337	0.5
255.10126	7.2
256.10779	0.5
261.09320	0.6
263.10516	0.6
265.08698	0.5
267.10083	2.7
269.11908	0.5
270.08774	0.4
272.10587	0.5
273.41782	0.4
277.12271	0.4
278.09442	0.4
279.10208	0.5
281.11697	0.7
285.11169	6.1
287.05600	0.5
287.12762	14.7
291.13617	0.4
301.14508	0.5
305.11594	1.0
307.13278	0.8
313.14514	2.3
315.04910	1.0
319.13214	0.7
325.14359	1.0
331.08212	2.2
337.14304	0.6
351.15857	3.6
352.15891	0.4
369.17245	0.4
406.03448	0.4
415.18945	2.4
443.18665	2.2
475.20953	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77452	5.1
54.35688	4.7
58.48888	7.4
67.05484	17.5
69.07042	21.2
71.53046	10.1
79.05471	13.0
81.07047	56.9
85.06873	4.8
91.05455	17.2
93.07014	11.4
95.04946	5.8
95.08571	6.7
97.10152	6.0
105.07018	11.4
107.08581	11.0
109.10141	21.9
118.97861	5.5
121.06490	47.0
123.11682	10.4
129.06953	14.7
131.08560	4.8
133.06445	8.7
133.10161	5.1
135.08014	7.0
135.11667	8.0
136.20355	5.6
137.05957	10.9
145.06465	11.1
146.07231	10.0
147.08060	6.7
149.05956	86.3
150.06703	14.8
151.07564	38.5
158.07178	6.7
159.08017	15.2
161.05991	13.1
162.06712	13.9
163.07510	10.4
165.05415	8.2
165.09106	52.3
171.08047	6.4
172.08818	21.3
173.09631	12.4
174.06757	11.2
174.10362	5.4
175.07503	18.2
177.05447	62.6
177.09073	21.7
177.98869	5.1
179.10664	7.6
185.09636	6.0
187.07512	11.0
187.11238	9.7
188.08319	11.7
189.09100	100.0
190.09854	8.0
191.07001	9.4
191.10652	23.4
193.08623	43.4
195.06444	26.4
195.08102	5.8
199.11151	8.3
201.09076	15.3
202.09836	10.1
203.10620	28.3
204.11469	7.5
205.08623	6.3
205.12189	24.6
207.06305	5.9
207.10231	7.1
215.10666	69.3
216.11433	15.9
217.12218	51.2
219.13770	24.0
229.12073	25.4
230.12961	6.2
231.13776	36.5
233.08057	31.7
233.15425	11.5
235.09587	54.6
243.10103	18.7
243.13817	43.9
245.15254	38.2
247.09694	6.4
255.13869	11.9
257.11646	9.8
257.15213	9.7
261.11221	11.9
271.16943	13.0
283.16809	7.8
285.18423	10.3
297.18103	8.4
298.19250	12.6
299.16382	5.7
325.14050	6.6
346.11826	5.1
353.13779	6.0
383.14401	5.2
447.25156	26.1
451.25177	12.1
475.24445	23.0
493.25299	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.4
55.05508	3.5
67.05486	10.9
69.07064	13.0
69.30368	25.2
69.30769	6.8
69.40615	2.7
77.03938	3.3
79.05480	9.0
81.06586	5.0
81.07049	87.9
83.08583	4.6
91.05474	10.6
93.07061	3.2
95.04923	4.0
95.08589	8.4
97.10147	2.9
103.05437	4.3
105.07018	10.5
107.08570	3.8
109.10133	26.5
115.05458	5.2
117.07003	5.5
121.06493	49.4
123.08106	3.3
123.11696	3.2
128.06189	8.2
129.07001	10.6
131.08554	3.7
135.08052	15.5
141.07002	3.8
142.07751	3.2
143.08517	5.1
145.06476	6.7
146.07291	8.0
147.08058	3.9
149.05971	100.0
151.07512	11.0
156.09259	4.3
157.06456	7.0
157.10152	5.6
158.07271	9.2
159.08028	9.9
161.05974	22.1
161.09584	5.9
162.06717	5.2
163.07507	18.9
165.09099	12.7
167.07050	5.1
171.07979	7.7
172.08807	25.4
173.05943	3.0
173.09598	12.0
174.06778	3.6
174.10327	3.9
175.07510	15.1
177.05460	59.4
177.09061	19.3
179.10600	4.2
184.08662	3.4
185.09631	8.1
186.10385	4.1
187.07523	12.0
187.11095	13.7
188.08272	10.8
188.11903	3.8
189.09097	89.6
189.10767	6.3
190.09860	4.5
191.07100	6.5
191.10634	24.4
193.08643	4.0
195.06505	22.7
195.10136	6.6
196.08777	3.6
197.09602	9.3
198.31987	3.1
199.11145	6.9
200.08429	2.8
200.12013	3.6
201.09071	16.6
202.09837	10.4
203.07004	3.4
203.10585	17.2
204.11440	3.2
205.08594	6.0
205.12215	12.1
207.06490	6.7
207.10083	3.8
211.11203	8.4
213.09010	4.0
214.09897	5.8
214.24123	2.9
215.10661	69.5
216.11438	16.0
217.08673	6.8
217.12207	43.8
219.13779	30.8
227.10657	4.5
228.11368	5.0
229.08598	4.4
229.12204	28.3
230.13066	5.0
231.13753	30.7
233.08052	43.3
233.15379	10.2
235.09616	47.3
239.10742	4.4
241.12096	4.2
242.13097	3.5
243.10187	34.0
243.13783	51.9
245.11697	5.1
245.15384	39.3
247.09685	2.7
255.13783	5.8
256.14420	5.4
257.11618	15.7
257.15302	8.0
261.11066	5.1
263.12833	4.1
271.16882	38.0
283.16922	5.9
285.18466	6.8
297.18466	7.3
298.19272	9.0
299.16464	14.5
299.19418	3.7
311.20065	4.7
406.69196	3.1
411.17896	12.6
447.25323	4.8
450.17029	3.3
475.24756	17.5
482.83789	3.0
493.25775	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87520	1.9
55.05501	8.2
65.03916	2.9
65.70918	1.8
66.91822	2.1
67.05484	10.9
68.64300	2.2
69.07065	11.8
71.52286	3.3
78.83524	2.3
79.05487	12.6
81.03404	2.2
81.07047	21.0
81.85492	1.9
82.82204	2.5
83.08605	5.1
91.05474	13.2
93.07045	6.3
94.82449	2.0
95.04965	3.5
95.08591	11.2
97.10168	2.9
101.99057	2.2
103.05455	3.1
105.07053	11.6
107.04946	6.1
107.08579	7.9
107.45854	2.1
109.10149	16.3
119.08529	5.0
121.06493	30.5
121.10148	9.6
123.08127	3.4
131.04936	2.4
131.08597	4.0
132.05766	2.1
133.06462	3.9
133.10124	3.3
135.04405	3.7
135.08025	9.4
135.11745	2.8
136.05205	8.6
137.05984	6.5
138.06754	5.6
139.07538	2.7
143.08504	2.6
145.10092	3.2
146.07259	4.5
147.08075	6.2
147.11656	2.1
149.05962	42.6
149.13179	3.1
150.06837	5.2
151.07530	75.5
159.08090	5.0
161.05986	5.5
161.09575	3.8
163.07555	12.2
164.08311	9.2
165.05426	5.3
165.09096	28.6
167.07062	5.2
171.08109	4.5
172.08844	6.0
174.94969	2.3
175.07578	6.3
177.05478	34.3
177.09119	7.9
179.10660	100.0
180.10880	2.1
187.07553	4.7
189.09128	9.5
189.37122	2.1
191.07091	6.2
191.10677	6.0
193.08623	2.7
195.10179	7.9
201.09097	5.2
203.10693	6.6
203.14363	2.2
205.08578	4.1
205.12245	3.7
209.08096	3.8
211.11047	2.8
213.09163	5.1
213.60980	2.1
215.10674	15.7
217.08524	2.2
217.12167	5.5
217.14333	5.7
219.13860	5.9
225.09154	3.1
225.12671	2.7
229.08603	3.6
229.12268	10.2
231.13828	7.6
233.07996	2.5
241.19392	3.5
243.10133	7.2
243.13969	2.9
245.15358	2.9
247.83899	2.2
259.20587	5.0
260.56226	2.1
261.11331	2.8
267.10263	2.6
271.13361	3.2
271.16913	13.5
299.12766	6.2
299.16327	6.8
315.16000	3.9
323.12463	2.4
327.19614	2.3
369.13138	5.2
447.25330	5.5
465.26163	2.6
475.24561	7.5
493.25998	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	493.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.8
53.58393	1.6
55.01872	10.6
55.05508	34.0
57.03436	11.1
59.04984	2.3
65.03922	4.7
67.05498	52.2
69.03410	7.4
69.07057	18.0
71.04974	7.3
71.52386	1.8
79.05485	52.5
79.46493	1.7
81.03410	61.6
81.07047	56.0
83.04977	22.1
83.08608	28.9
85.02888	19.2
85.06504	2.9
91.05469	38.1
93.03371	2.0
93.07031	55.3
95.04957	39.8
95.08593	50.0
97.02904	8.9
97.06533	10.1
97.10159	13.7
99.04440	5.9
99.08069	3.4
101.06000	2.5
105.04511	2.3
105.07017	36.5
107.04948	17.3
107.08580	37.5
109.06510	8.3
109.10139	16.7
111.04424	8.2
111.08089	14.9
113.05984	2.9
115.05418	3.2
117.06999	15.6
119.04942	3.2
119.08568	29.3
121.02853	6.7
121.06482	12.3
121.10125	25.9
123.04404	4.2
123.08078	4.5
123.11689	2.3
125.05986	5.3
125.09630	8.8
129.06975	11.9
130.07736	2.1
131.04916	2.9
131.08551	15.8
133.06459	7.0
133.10104	12.5
135.04367	4.0
135.08044	6.4
135.10686	3.1
135.11676	45.0
137.05948	11.2
137.09573	1.6
139.03889	6.8
139.07573	2.9
142.07755	2.6
143.08563	2.5
145.10107	27.7
147.04381	2.6
147.08041	4.3
147.11653	13.9
149.05920	1.7
149.09598	5.9
151.07535	3.5
153.12752	6.7
155.08568	2.8
157.10095	13.1
159.07985	2.1
161.05986	2.7
161.09657	2.0
163.07524	2.8
163.11160	53.8
165.09106	3.1
165.12727	2.4
167.07011	2.9
173.09579	2.8
173.11819	2.3
173.13275	2.6
175.07558	2.0
175.11185	13.8
179.07057	2.9
181.12218	19.4
183.11714	3.2
183.13686	1.8
185.13235	1.8
189.11169	2.7
191.10649	5.2
193.12222	45.1
205.12236	2.2
209.11765	7.8
211.11357	2.2
211.13261	51.0
212.13493	1.6
219.13747	3.9
227.12756	100.0
228.13007	1.9
229.12178	2.8
229.14384	2.6
231.13866	2.1
247.13252	12.9
249.14780	3.9
267.15869	16.7
283.15341	9.5
285.10187	3.5
321.16956	4.7
355.22668	2.5
365.20300	1.6
372.39975	1.8
373.23941	1.9
383.21951	4.3
391.24689	2.2
401.23309	5.4
449.41653	1.9
464.35785	2.0
475.26749	17.6
482.22150	1.7
493.22574	7.8
493.28918	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2792
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03934	7.9
55.01863	15.2
55.05264	3.9
55.05505	37.9
57.03433	14.4
57.07056	4.2
59.04995	4.0
65.03929	6.1
67.05496	71.2
69.03413	7.9
69.07052	16.6
71.01323	3.0
71.04996	10.8
76.93578	2.1
77.03939	2.4
79.05016	2.5
79.05482	57.5
81.03410	76.8
81.07048	54.5
83.01338	3.9
83.04974	34.5
83.08611	33.3
85.02901	24.6
85.06538	5.6
91.05471	48.9
91.06017	3.5
93.07034	55.4
95.04958	42.2
95.08593	23.4
97.02884	7.0
97.06528	9.2
97.10182	13.2
99.04436	4.3
99.08111	3.3
103.05463	4.9
105.07017	36.5
107.04948	22.1
107.08595	28.9
109.02830	3.1
109.06487	12.7
109.10133	19.8
111.04426	12.8
111.08089	14.7
113.05996	2.7
115.05445	4.0
117.07000	14.3
119.04951	3.2
119.08572	27.9
121.02844	4.7
121.06499	9.8
121.10134	20.6
123.04430	5.5
123.08063	8.8
123.11713	2.8
125.05972	3.2
125.09597	11.9
129.05511	2.8
129.07005	15.9
130.07707	2.6
131.04948	3.8
131.08556	19.0
131.31389	2.3
133.06451	4.6
133.10089	11.9
135.08028	4.9
135.11678	14.6
135.42613	2.7
137.05960	15.3
137.09630	5.1
139.07539	4.1
139.11108	2.8
141.06963	3.1
142.07770	2.6
143.08546	4.6
145.06512	2.6
145.10101	17.9
147.04344	2.3
147.08046	5.5
147.11664	15.9
149.05951	3.0
149.09622	9.7
151.07571	4.3
153.12752	10.9
157.10118	15.0
159.08055	3.9
161.05887	2.6
163.11176	29.9
165.12805	2.9
167.07112	3.7
171.11758	3.4
173.09599	7.5
173.13196	2.7
175.07654	2.7
175.11130	16.8
179.10661	2.2
181.12167	5.2
183.11847	2.7
185.06548	2.4
189.11337	2.8
191.10672	9.3
193.12221	48.8
193.13887	4.2
201.12798	3.1
209.11760	21.2
209.13503	3.9
211.13280	52.3
219.13881	3.2
227.12772	19.7
229.14432	3.2
229.61475	2.3
247.13293	15.4
249.14839	6.4
267.15964	10.3
283.15341	10.7
321.17032	4.9
355.22720	2.9
365.21021	3.2
383.22147	8.4
401.23376	8.6
411.13474	2.7
475.26855	29.6
493.28024	100.0
494.28677	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	493.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81549	2.1
53.03931	3.7
55.01860	2.2
55.05506	23.2
57.03428	10.6
57.07071	49.6
65.03918	3.2
67.05139	3.0
67.05499	60.2
69.07057	19.1
71.01360	3.4
71.04978	3.9
71.08621	40.9
71.26109	3.8
79.05488	38.2
81.03398	7.6
81.07045	45.4
83.04969	8.8
83.08614	22.5
85.06518	3.5
85.10162	22.6
91.05466	15.3
93.07027	50.8
95.04961	5.8
95.08598	42.9
97.06506	11.0
97.10161	15.5
105.07011	3.6
106.57189	2.4
107.08591	27.9
109.10140	22.8
111.11709	2.3
117.07022	5.8
119.08571	6.0
121.06451	2.7
121.10137	6.0
123.11690	7.2
133.10109	3.6
135.11673	51.2
137.13179	4.0
145.10121	6.9
151.07614	3.1
163.11182	4.2
181.12184	11.4
205.45187	2.3
239.23672	15.8
258.32092	2.1
261.79895	2.3
348.01776	2.1
493.30231	11.1
493.38788	100.0
494.39081	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	494.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.1
55.01863	5.9
55.05499	8.0
57.03428	7.7
57.07060	2.5
60.04529	10.5
61.02917	9.6
65.03931	2.7
67.05495	7.8
69.03426	21.4
69.07042	4.6
71.04980	4.7
71.52608	3.7
73.02906	7.2
79.05491	18.1
81.03410	10.0
81.07049	8.3
83.04967	6.8
85.02900	74.0
87.04457	5.3
89.03936	2.4
91.03938	3.2
91.05476	29.5
93.07036	77.1
95.04958	7.8
95.08597	7.1
97.02883	28.6
99.04448	3.9
105.07000	12.6
107.08590	100.0
109.02876	8.2
109.06518	5.3
109.10123	3.8
115.03992	3.8
117.03375	6.9
117.40025	2.1
119.06074	3.7
119.06909	2.4
119.08537	3.1
121.10132	6.6
123.04452	4.6
124.07552	2.6
126.02130	2.1
127.03893	17.3
131.04964	2.6
133.04958	5.2
133.10167	2.8
135.11685	61.6
137.05959	4.6
145.02884	12.9
145.04950	28.3
147.04427	6.4
149.13242	2.4
151.03893	4.7
153.12750	6.6
163.03918	14.6
163.06015	6.9
165.06996	6.9
165.58926	2.2
177.05441	22.8
191.07027	4.9
193.04800	2.1
200.09303	96.2
254.24812	4.0
256.36630	2.2
296.25632	2.5
314.26917	5.1
332.13440	16.8
332.27829	24.4
362.14581	3.8
464.75897	2.4
494.18753	7.8
494.33093	6.6
495.12497	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03935	4.5
55.01865	1.6
55.05507	7.2
57.03430	2.0
57.07074	1.0
60.04533	0.8
61.02916	4.3
65.03938	1.3
67.05491	2.3
69.03420	7.3
69.07056	3.5
71.04991	1.6
71.41821	0.6
73.02912	1.6
77.03909	0.9
79.05485	14.4
81.03413	3.5
81.07054	3.7
83.04993	0.5
85.02896	44.0
87.04456	1.1
91.03947	2.9
91.05470	24.1
92.05811	0.6
93.07033	89.9
94.07320	0.7
94.07844	1.0
95.04961	6.7
95.08607	2.6
97.02875	12.8
99.04459	2.4
103.03934	0.9
105.04500	1.6
105.07019	8.0
107.08579	100.0
108.08918	1.6
109.02877	4.0
109.06494	2.5
109.10156	0.9
115.03925	0.7
119.06054	1.3
119.08560	1.5
121.10143	2.2
123.11677	0.6
124.07574	0.5
127.03916	11.7
131.08546	0.5
133.10109	1.1
135.11674	61.5
136.12027	0.9
137.05948	0.9
137.09605	0.5
139.45470	0.4
144.06602	0.6
145.04939	20.3
145.10156	0.5
147.04396	0.7
149.05966	0.5
151.03970	1.0
153.12704	0.7
163.06006	6.9
165.05473	1.5
167.07083	0.5
176.50745	0.4
177.05540	1.1
180.08647	0.6
191.06926	1.0
192.07481	0.5
207.10118	0.5
219.10478	0.5
277.43295	0.4
332.27960	1.8
372.05756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01872	1.8
55.05509	6.2
57.03409	1.4
65.03915	1.3
67.05495	14.0
69.03414	2.3
69.07058	7.2
69.50656	7.2
71.04973	1.9
79.05480	8.4
81.03414	7.4
81.07050	21.7
83.04983	2.1
83.08601	6.3
85.02898	7.4
91.05464	6.4
93.07034	12.0
95.04948	4.2
95.08592	18.8
97.02860	2.0
97.06514	2.3
97.10175	2.8
105.07042	7.0
107.04941	1.4
107.08588	9.5
109.02874	1.7
109.10144	10.5
111.04430	2.1
111.08064	2.3
111.11710	1.2
117.06989	2.4
119.08555	5.8
121.06490	2.2
121.10120	7.2
123.04427	1.1
123.08095	1.2
123.11694	4.3
125.09605	1.3
127.03935	2.0
131.08560	4.0
133.06438	1.0
133.10112	4.0
135.04401	1.0
135.08025	2.2
135.11662	3.3
137.05988	3.6
137.09596	1.6
137.13254	1.3
138.06258	1.3
139.03882	1.3
139.07506	1.2
145.10138	3.2
147.11679	4.3
149.09633	2.8
149.13257	1.4
151.03885	1.2
151.07513	1.8
151.11179	1.6
151.14894	1.1
153.09035	1.2
159.11659	2.4
161.13232	2.6
163.07527	1.4
163.11165	2.1
165.09082	2.5
165.12720	2.2
165.16383	1.6
167.07031	1.6
173.13263	2.6
175.11374	1.1
177.05406	1.7
177.12750	1.4
180.06317	5.1
180.07684	1.0
181.12189	1.5
187.14896	1.3
191.06944	1.0
193.12262	2.1
211.13228	2.5
219.21100	1.4
227.64011	1.0
243.21080	5.7
248.09183	1.2
261.22156	5.0
279.23175	4.5
297.24203	24.3
315.25308	3.3
329.06378	1.9
342.11734	1.9
355.17639	1.2
473.38635	1.0
476.33676	1.2
494.23526	100.0
495.23871	7.3
495.29642	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
54.16019	0.7
55.05484	1.7
65.03934	1.3
67.05501	1.4
69.03423	7.9
71.04967	1.1
71.53116	1.2
77.03919	1.1
78.84429	0.8
79.05465	1.5
79.10590	0.7
81.03394	3.4
81.07050	1.5
85.02898	2.6
89.03874	1.8
91.05471	25.6
92.30147	0.7
93.07030	2.2
95.04950	2.1
95.08576	1.3
97.02877	1.7
97.06509	0.9
99.04443	1.2
103.05450	0.9
105.07018	2.0
107.04921	1.6
107.08557	2.2
109.02867	2.1
109.10119	0.8
117.03371	1.2
119.04929	32.6
119.08526	1.4
121.02847	3.0
121.10150	1.4
123.04460	1.5
126.05585	0.9
127.03903	38.0
131.08519	0.7
132.02016	1.5
133.02847	1.1
133.10023	1.2
135.04433	1.6
135.11668	1.0
137.05984	4.1
145.02820	1.6
147.04401	30.4
151.03889	4.1
151.07523	1.2
152.04279	1.5
157.03938	2.8
163.03906	2.0
163.07570	1.2
164.04620	1.3
165.05379	1.4
167.07018	1.4
169.04932	1.1
173.13226	0.7
175.03894	50.7
175.07513	2.1
175.14720	0.8
177.05421	2.9
179.07005	2.5
193.04944	2.8
193.08655	0.9
207.06506	100.0
208.06787	1.6
251.06850	0.9
270.80923	0.7
324.09125	0.7
351.10718	7.9
369.11862	5.1
435.06793	1.3
495.18243	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	495.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.05515	3.7
57.03415	1.9
65.03916	1.7
67.05502	4.6
69.03429	4.1
69.07045	3.2
71.04968	2.1
71.52963	1.3
72.91442	0.6
79.05484	8.1
81.03417	4.9
81.07042	10.0
83.04984	1.9
83.08607	1.9
85.02897	7.9
85.06527	1.9
86.79227	0.7
91.05461	6.2
93.07020	5.9
95.04938	4.1
95.08606	5.1
97.02877	2.8
97.06530	1.1
97.10150	2.1
99.08069	0.8
103.05483	0.9
105.03381	1.5
105.07014	4.6
107.04948	4.3
107.08566	4.9
109.02866	2.0
109.06503	14.6
109.10138	4.6
111.04428	0.9
111.08062	0.8
115.24435	0.8
117.06982	1.9
119.08569	3.7
121.02843	0.8
121.06488	2.8
121.10130	4.1
123.04436	1.2
123.08028	2.5
123.11679	1.9
125.05994	1.3
125.09584	1.6
127.03899	2.7
129.07008	1.4
131.04910	3.7
131.08537	2.1
133.06415	1.5
133.10112	2.4
135.04399	67.1
135.08034	2.0
135.11649	2.2
137.05957	11.4
137.09595	1.8
139.03891	0.9
139.07520	1.8
145.04877	1.0
145.06525	1.0
145.10091	1.7
147.04404	2.1
147.08022	1.0
147.11679	2.3
149.05962	2.2
149.09558	1.4
149.13239	0.8
151.07538	1.7
153.12750	0.9
155.07010	4.6
157.10155	1.0
159.08000	0.9
159.11678	1.5
161.05965	12.9
161.13245	0.9
163.03880	1.1
163.07544	1.2
163.11168	1.4
165.05409	2.2
165.09116	2.2
167.07024	100.0
169.10074	1.0
173.02000	0.7
173.09587	0.8
173.13271	1.4
175.11241	0.9
177.05466	1.7
179.06981	3.3
181.09935	0.8
185.09647	0.6
189.09103	0.9
191.06972	1.7
193.08502	1.1
201.12735	0.9
203.07033	1.1
207.06364	1.3
209.08026	1.2
219.13805	2.4
231.06326	0.9
233.08009	1.3
248.27672	0.8
259.15509	1.3
275.09091	0.9
279.26871	0.8
293.17407	0.9
315.08862	1.2
315.12277	13.0
315.19376	0.7
327.12131	1.0
333.13382	4.6
333.20346	1.0
374.22577	0.9
385.23666	1.4
459.27228	1.2
495.18948	1.5
495.25262	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	495.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.05503	1.5
57.03429	0.7
61.02917	0.8
66.04719	0.7
67.05489	2.1
69.03424	4.0
69.07045	2.5
69.35012	6.2
69.61648	0.6
71.04985	0.8
77.03938	0.9
79.05476	6.0
81.03407	1.5
81.07041	5.0
83.04982	1.0
83.08656	0.8
85.02893	6.3
91.05472	5.8
93.07042	4.1
94.04147	1.2
95.04971	3.7
95.08609	4.2
97.02882	2.6
97.06483	1.1
97.10187	1.0
99.04459	0.7
103.05458	1.0
105.06998	3.3
107.04942	2.1
107.07954	0.7
107.08557	4.1
108.05733	1.0
109.02859	1.4
109.06508	11.4
109.10131	2.6
111.04446	1.0
117.06965	1.0
119.04916	3.3
119.08559	1.1
121.02840	1.3
121.06476	1.1
121.10113	1.8
122.03644	1.9
123.04443	3.7
123.11643	0.9
125.09637	0.9
127.03894	1.7
129.07053	0.8
131.04889	1.8
131.08531	1.0
133.02837	0.7
133.06459	0.7
133.10118	2.1
135.04408	17.3
135.07976	0.7
135.11667	1.0
137.05969	30.7
138.06274	2.0
139.03879	0.7
139.07544	2.7
145.10121	1.1
147.04387	17.0
147.07933	0.6
147.11682	1.3
149.05957	2.1
149.09610	0.8
151.03746	0.7
151.07523	2.8
151.11133	0.7
152.04771	0.6
153.05396	0.7
155.07036	5.8
161.05989	3.9
161.09592	1.0
163.03902	0.8
163.07529	2.0
164.07846	1.4
165.05533	1.1
165.09081	1.0
167.07024	100.0
168.07321	1.3
174.06590	0.9
175.03932	1.0
175.07416	0.9
177.05473	2.2
179.07022	9.0
181.08514	1.2
182.34802	0.7
183.17441	1.1
187.07590	0.7
189.05522	1.4
189.09123	1.3
191.07007	1.4
197.08076	0.7
203.07178	0.7
207.06439	0.8
209.08064	2.3
210.06688	0.7
271.06000	3.5
271.09119	0.6
297.27692	0.8
315.12234	3.1
315.19254	0.8
325.10706	0.8
329.06458	1.3
333.13318	4.9
357.09589	0.8
477.11948	0.8
495.12784	4.5
495.25656	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	495.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.01855	0.5
55.05498	0.8
57.03421	1.0
57.45351	0.5
62.04361	0.5
65.03927	0.9
66.04697	0.8
67.05486	2.3
69.03423	3.2
69.07055	1.4
71.04979	0.8
71.52547	0.8
73.02908	0.7
78.04713	0.5
79.05482	4.2
81.03404	1.9
81.07053	4.1
83.05005	0.5
85.02899	7.2
91.05466	4.1
93.07043	2.5
94.04169	1.8
95.04952	2.1
95.08590	2.2
97.02888	2.9
97.10167	0.5
98.97533	0.5
99.04412	0.6
101.73064	0.5
103.05467	0.5
105.07035	1.3
106.82996	0.5
107.04937	1.1
107.08605	1.3
108.05705	2.2
109.02872	1.5
109.06517	9.6
109.10118	1.6
111.04457	0.9
111.08075	0.8
119.04939	3.8
119.08591	0.9
121.02859	0.6
121.06481	1.0
121.10125	1.6
122.03631	1.9
123.04440	0.9
123.08005	0.8
123.11686	1.0
125.05994	1.4
125.09621	0.6
126.03316	0.5
127.03892	1.8
131.08553	0.6
133.06467	0.5
133.10187	0.6
135.04390	2.0
135.08012	0.6
135.11725	0.8
137.05963	31.9
137.09630	0.7
139.07500	2.8
141.05392	0.8
145.04988	0.7
145.06410	0.7
145.10139	0.9
147.04390	26.5
149.05928	1.0
149.09615	0.7
151.03902	1.2
151.07497	1.5
153.05434	0.9
155.07014	4.7
159.11671	0.8
161.05896	0.6
161.09677	0.5
163.03885	1.1
163.07430	0.5
163.11264	0.7
165.05473	0.6
165.09096	1.6
167.07021	100.0
168.07359	1.1
175.07501	0.7
177.05463	1.3
179.07010	10.4
181.08546	1.0
197.08023	1.3
209.08020	1.4
227.06795	0.6
233.08015	0.7
315.12222	1.2
333.13248	4.9
421.46210	0.5
495.24551	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.4
57.03420	2.6
61.02899	4.1
67.05492	3.7
69.03423	14.2
69.07063	13.1
70.57689	2.3
70.58046	6.1
71.04967	5.1
73.02905	3.1
79.05497	2.7
81.03388	6.0
81.07034	5.2
83.08623	2.5
85.02895	60.1
91.03969	4.0
91.05460	3.2
93.07019	18.3
94.26207	1.8
95.08615	14.6
97.02885	13.2
97.06522	31.9
97.79161	1.8
99.04424	2.7
107.08576	32.9
109.02863	6.8
109.10145	12.8
119.08471	2.0
127.03905	11.6
135.11670	39.5
145.04950	17.3
153.12723	100.0
163.06004	5.1
171.13785	41.6
181.05003	2.6
287.09067	22.8
315.12204	4.1
319.04465	11.0
333.13290	11.6
495.18906	4.8
495.26837	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88811	16.4
61.02927	19.2
69.03422	32.7
69.07056	41.5
70.06588	43.1
71.04981	16.5
71.52975	25.3
81.07074	31.0
83.04918	15.6
85.02917	100.0
91.05481	39.0
91.71797	16.7
93.07039	55.4
95.08600	30.3
97.02903	38.8
97.06548	16.7
105.07043	39.0
107.08599	41.2
112.07604	35.8
119.08578	21.0
121.10100	19.7
123.04511	19.9
127.03915	30.9
135.11716	25.5
137.06006	38.6
145.05003	37.7
147.04367	28.9
151.03865	30.5
152.04266	18.0
153.12747	54.4
165.91513	16.0
167.37221	20.5
177.05507	19.4
315.04700	17.2
333.06134	22.4
404.53098	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	495.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05475	3.5
65.03916	3.5
69.07056	25.9
71.19732	2.7
71.98697	1.8
81.07061	5.1
91.05468	9.3
93.07008	3.1
95.08567	2.6
103.05439	2.3
105.07015	9.2
107.04934	2.1
107.08573	2.3
109.10152	2.7
109.61948	2.3
111.11698	3.8
117.07012	3.8
121.06490	67.1
121.07375	3.7
123.08051	4.1
123.11700	11.6
131.04863	5.4
135.08035	23.8
137.05943	7.9
138.06712	3.5
142.76657	2.0
146.07251	8.6
149.05963	100.0
149.09561	3.1
150.06512	2.9
151.07527	25.0
160.08795	2.4
162.06737	6.1
163.07524	35.8
165.09135	7.2
167.06976	3.4
172.08875	2.4
173.09494	2.6
175.07520	8.8
177.05455	74.5
177.09032	16.6
179.10652	8.4
180.07764	2.9
186.10376	2.0
187.11089	3.3
188.08255	3.6
189.09050	18.0
191.07031	9.5
191.10667	26.6
193.08571	2.7
195.06578	6.2
195.10149	26.5
199.11159	2.5
202.09875	3.8
203.07018	3.7
203.10652	16.6
205.08829	2.2
205.12206	35.7
216.11395	8.3
217.08627	12.2
217.12158	22.6
219.13773	10.5
230.12839	3.1
231.10152	7.9
231.13799	13.9
233.15289	3.6
235.09543	2.7
245.11703	6.6
245.15356	23.9
273.18445	36.9
299.19885	3.3
353.13776	4.3
477.26373	5.4
495.27042	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	495.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02965	0.6
53.03935	1.2
55.05495	2.4
55.06593	0.6
57.07067	1.1
65.03931	0.9
67.05487	0.7
69.07068	4.5
71.08631	0.6
71.19623	0.7
78.04695	0.8
79.05471	1.1
81.07033	0.8
83.08605	1.7
89.05946	0.6
91.05477	6.2
92.07732	0.6
93.07027	1.2
95.04961	1.9
95.08606	0.9
98.36608	0.7
103.05459	1.3
105.04535	0.6
105.07011	2.1
107.04922	0.8
107.08548	0.7
109.10113	0.9
117.06979	1.1
119.08534	0.6
121.06493	40.5
123.08035	0.8
129.07053	0.9
133.06490	1.3
134.03609	1.1
134.07280	0.9
135.04410	0.7
135.08061	2.7
136.05180	1.9
137.06029	0.6
138.06755	0.6
143.08562	1.1
145.06380	0.9
146.07224	0.8
147.07990	1.6
149.05965	100.0
150.06767	3.2
151.07524	15.4
151.08665	1.3
157.06474	0.8
158.07278	1.1
159.08119	1.4
160.08783	2.1
161.09660	0.7
162.06796	1.2
163.07497	4.7
164.08328	1.4
165.09097	19.1
167.07019	8.2
171.08067	1.3
172.08781	1.0
173.09616	1.9
174.06805	1.1
174.10413	1.7
175.07582	3.8
176.08186	1.0
177.05452	72.3
177.08980	5.4
178.05760	0.8
179.10638	8.7
185.09615	1.0
186.10442	1.9
187.07516	1.8
188.08342	2.3
189.09096	5.7
190.09940	1.4
191.07048	1.4
191.10646	10.7
193.12242	0.8
195.06512	42.2
196.06944	0.9
197.09706	0.8
199.11142	1.0
201.09114	2.1
202.09917	3.6
203.10664	7.2
205.12248	7.4
209.08066	2.3
211.11107	0.8
213.08971	0.6
214.10040	0.9
215.10638	3.7
216.11391	1.2
217.08728	0.8
217.12213	9.5
218.12842	1.4
219.13821	2.5
220.32805	0.6
221.08066	1.4
223.09555	0.8
227.10672	0.9
228.11432	1.0
229.12196	11.2
231.13763	6.0
233.15256	1.5
235.09663	1.1
242.13098	0.9
243.13803	2.4
245.15382	2.0
247.16919	5.2
257.15341	4.8
259.17050	0.7
261.18475	2.4
273.18588	1.3
275.20044	1.1
287.20105	1.6
291.10300	1.8
297.14969	0.8
299.19998	8.3
300.20844	2.3
301.21576	4.3
305.11761	1.5
306.12488	1.1
307.09790	1.0
313.21738	1.0
319.13123	0.7
321.11249	0.9
322.12195	1.2
333.31259	0.6
335.12939	0.8
336.13519	0.7
337.14462	2.0
349.14395	1.1
351.12057	0.9
351.15686	1.1
365.17578	1.2
383.14798	2.8
395.18411	1.4
397.16620	2.9
398.08121	0.6
411.18057	3.0
413.19592	2.1
449.27121	4.2
477.26251	4.5
495.27362	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	495.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34386	1.4
53.03936	6.5
55.01859	6.2
55.05506	26.0
57.03429	15.6
57.07068	2.0
59.76633	1.7
65.03934	3.8
66.63117	1.7
67.05495	40.6
69.03425	8.0
69.07063	13.6
69.71026	11.6
70.96872	1.4
71.04987	9.7
74.11576	1.5
79.05012	1.7
79.05483	46.1
81.03409	94.4
81.07046	44.9
83.04970	22.3
83.08615	33.8
85.02897	50.0
85.06538	5.3
91.05470	50.5
93.07036	31.9
95.04961	43.8
95.05560	2.7
95.08599	20.5
97.02911	6.8
97.06499	7.6
97.10181	6.2
103.05444	2.7
105.07020	43.9
107.04934	9.3
107.08571	14.1
109.02863	2.8
109.06475	9.5
109.10156	7.9
111.04439	3.7
111.08070	17.2
113.06034	4.4
117.07011	2.8
119.04946	1.8
119.08577	29.3
121.02892	7.3
121.06530	5.1
121.10130	22.8
121.10940	2.6
123.04453	2.0
123.08079	6.7
123.11724	6.0
125.09676	2.7
127.03960	2.7
129.06998	17.7
131.08553	14.7
131.09459	2.0
133.06520	6.2
133.10107	18.6
135.08049	3.6
135.11649	3.4
137.05995	5.0
139.03914	2.5
139.11195	2.7
142.07785	5.1
145.10150	3.9
146.55760	1.8
147.04453	4.6
147.08078	3.6
147.11690	23.6
149.09604	11.9
151.03886	2.2
151.07550	2.1
157.10077	21.1
161.05983	1.8
163.11279	3.2
165.05473	2.0
165.12798	5.8
167.07098	6.6
173.09808	2.2
175.11156	25.2
193.12230	84.4
211.13263	100.0
241.12881	1.7
267.15991	7.4
280.62729	1.6
285.16791	3.5
329.06561	2.7
347.34131	1.5
459.27548	1.7
477.28683	5.2
495.19061	2.6
495.29697	64.5
496.29419	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17791	1.2
52.21767	1.0
53.03942	5.9
53.45888	1.2
55.01857	5.2
55.05505	19.3
57.03429	17.3
57.03881	1.1
57.07044	1.4
61.02896	1.1
65.03925	2.6
67.05498	40.5
69.03431	6.7
69.07056	10.5
70.82138	3.2
71.04977	8.5
79.05482	42.8
81.03407	93.6
81.07044	47.7
83.04971	16.9
83.08610	29.7
85.02895	49.3
85.06522	3.7
87.04446	1.3
91.05471	48.3
93.06475	2.0
93.07036	27.1
95.04953	42.1
95.08599	22.2
97.02885	5.3
97.06513	5.6
97.10173	5.6
99.04482	1.4
99.08108	1.9
105.07018	38.7
107.04944	7.4
107.08581	14.0
109.06509	7.9
109.10132	7.3
111.04448	3.6
111.08063	16.3
113.05973	3.9
115.05466	1.7
117.06978	3.0
119.04901	2.0
119.08562	30.9
121.06476	2.3
121.10135	14.8
123.08049	6.4
123.11684	2.8
125.09621	3.0
127.07578	1.1
128.06158	2.4
129.06987	16.4
131.08560	15.2
133.06454	5.3
133.10110	15.4
135.11671	2.4
137.06001	1.4
137.09593	3.5
137.39790	1.3
142.07712	5.6
145.10094	5.4
147.08032	5.3
147.11658	22.1
149.09628	9.3
151.07468	1.7
151.11182	2.9
155.08594	1.4
157.10112	20.0
159.11662	2.0
163.11136	1.6
165.09053	2.3
165.12712	4.1
175.11159	21.2
193.12222	86.1
211.13258	100.0
212.13608	1.8
249.15044	1.4
264.63913	1.2
267.15964	8.6
277.01453	1.3
285.16968	3.9
444.32578	1.1
459.27933	3.0
477.28262	6.1
495.29480	79.1
496.29691	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31330	0.5
53.03938	3.6
55.05502	21.1
57.03432	12.7
57.07053	0.8
59.04987	1.1
60.47414	0.5
65.03924	2.2
67.05495	32.2
69.03423	5.3
69.07050	8.3
69.44334	2.1
69.44764	1.8
69.53147	0.5
71.04979	8.3
79.05480	34.9
81.03406	86.3
81.07043	37.9
82.03731	1.4
82.07359	0.5
83.04966	16.7
83.05462	1.1
83.08606	30.8
85.02892	44.8
85.06527	2.7
87.04456	0.9
89.25878	0.5
91.05466	47.5
93.07026	23.5
93.07630	0.7
95.04955	36.2
95.08593	13.8
97.02881	4.5
97.06512	4.9
97.10151	5.8
99.04477	0.6
99.08075	1.5
103.05444	0.9
105.04562	0.8
105.07014	31.5
107.04943	7.9
107.08572	10.6
109.02853	0.6
109.06510	6.7
109.10134	4.5
111.04427	3.6
111.08068	17.6
113.05994	4.6
115.05428	1.6
117.06985	3.2
119.04919	1.2
119.08566	27.0
121.06487	2.2
121.10134	13.5
123.08053	3.7
123.11699	3.3
125.06000	0.7
125.09592	1.5
127.07495	0.6
128.06207	1.7
129.06987	14.9
131.08548	15.6
133.06479	3.2
133.10104	11.8
135.08040	1.2
135.11667	1.0
137.05960	0.7
137.09633	2.5
141.06972	0.6
142.07767	3.4
143.08485	0.8
145.06503	0.6
145.10121	2.5
147.08008	4.5
147.10489	1.1
147.11658	19.7
149.09607	8.0
151.11185	1.0
155.08601	0.5
157.10104	16.7
159.11568	0.5
163.11186	1.1
165.09041	0.7
165.12752	4.6
175.11147	22.6
193.12215	86.3
194.12613	2.2
211.13255	100.0
212.13635	1.6
249.14886	0.9
252.35184	0.6
267.15848	5.8
285.16861	3.9
367.22668	0.9
385.23697	1.6
406.49036	0.5
459.27292	1.9
459.55734	0.5
477.28381	3.1
495.29468	68.2
496.29645	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	496.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	7.1
61.02922	3.5
63.31673	1.8
69.03422	8.4
70.96388	2.4
70.96707	2.9
71.04987	49.5
73.02914	2.4
75.04480	5.2
81.03410	3.0
83.04958	6.2
85.02896	100.0
91.05486	5.5
97.02873	10.8
109.02835	4.0
111.04449	3.6
119.04963	2.6
123.04390	2.8
127.03912	9.0
129.05461	33.8
131.04889	2.1
133.58423	1.7
135.04416	1.9
137.05962	54.4
137.89262	2.3
145.04947	10.1
147.04440	2.3
147.06531	19.4
153.01816	29.2
155.07014	4.7
163.03897	2.5
167.44344	2.0
171.02873	32.9
179.06989	2.2
188.03719	9.5
198.90294	1.8
263.09241	3.1
281.10284	2.2
331.38043	2.2
350.09042	2.3
356.56009	2.4
409.50763	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.7
62.16736	1.2
67.37090	1.3
69.03417	13.5
71.52370	2.5
72.54286	1.4
75.04484	1.3
81.03397	1.4
85.02904	8.9
87.04472	6.6
97.02866	9.3
109.02873	1.7
110.03645	2.1
115.03925	9.4
125.05979	19.3
127.03893	2.8
133.04939	9.6
139.03853	2.6
149.09732	1.3
153.05446	35.7
153.06599	2.8
154.06232	9.6
163.03952	1.4
165.61697	1.4
166.06186	1.8
167.07045	5.1
170.05754	6.3
175.93073	1.2
177.05319	1.4
178.06290	4.4
179.03403	2.8
181.08621	1.9
182.05731	5.2
185.08075	100.0
194.05765	6.9
197.08122	6.6
209.08083	19.2
221.08115	2.2
227.09109	13.9
251.09077	3.9
263.09174	5.8
281.10141	12.7
299.11401	3.0
311.11209	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
56.28415	0.6
57.03430	1.7
60.58531	0.6
61.02904	2.0
65.03947	0.8
69.03436	5.0
70.51735	2.5
71.04960	1.1
73.02894	0.8
81.03423	2.1
85.02899	28.4
88.19205	0.8
91.03958	1.3
91.05470	12.6
97.02880	7.7
98.97585	0.8
99.04474	1.8
109.02864	2.3
109.06547	0.9
112.05098	1.0
112.29601	0.7
119.04932	7.3
123.04406	1.0
127.03928	6.8
131.04912	0.8
133.06447	0.9
137.05968	100.0
138.06308	0.8
143.40630	0.7
145.04953	11.2
147.04399	1.4
151.07489	1.4
155.07007	10.5
161.05981	1.2
162.07585	0.7
163.03859	1.5
163.06009	2.0
167.06975	1.2
175.07469	1.0
179.07043	4.0
192.52745	0.8
203.07057	2.4
217.08641	1.3
221.08076	2.6
233.03703	0.9
245.08134	2.5
251.09100	1.1
263.09100	5.0
281.10193	1.9
299.11276	1.4
317.12134	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
57.03432	4.6
58.06308	1.2
58.06592	20.4
59.04996	1.0
59.07373	6.9
60.08148	7.6
65.03920	1.6
67.05502	4.1
69.84763	5.0
72.44429	0.8
74.24946	0.9
75.04469	3.2
79.05474	2.3
81.03400	0.9
81.07044	2.6
85.02916	1.9
87.04453	3.7
91.05468	9.2
93.07041	2.8
95.08604	1.6
103.05464	1.5
105.07020	2.8
107.04939	3.2
107.08583	1.3
108.05736	1.3
109.10152	1.1
113.06009	2.0
115.05445	2.1
117.07055	2.5
119.04938	2.1
119.08592	1.3
121.06483	7.4
124.05154	1.2
125.06011	2.6
128.06161	0.9
131.04897	2.4
131.07001	1.5
132.05672	1.4
133.06502	1.1
135.04417	2.0
135.08070	1.9
136.05174	9.7
137.05995	2.6
137.09598	1.5
137.18668	0.9
138.06744	7.0
139.07541	2.7
144.10210	3.7
145.06502	1.2
146.07249	3.2
147.08057	6.6
148.08865	4.1
149.05968	3.9
150.06766	3.5
151.07524	69.2
153.06972	1.0
162.11238	2.1
163.07556	4.1
164.08315	9.9
165.06993	1.5
165.09093	23.5
172.08870	2.7
173.05957	2.4
174.06821	1.4
177.09087	6.1
179.10652	100.0
180.11012	1.4
181.10078	0.9
183.08081	2.0
188.08316	3.6
189.09090	3.3
195.08112	2.6
196.08688	1.3
201.09157	2.0
203.10632	13.6
209.09592	4.2
210.10408	2.8
211.07498	2.3
219.84143	0.9
223.07556	1.3
225.09035	1.4
226.09833	2.2
227.10632	2.8
236.14906	71.8
237.09042	1.8
238.09853	2.4
239.07016	1.9
239.10593	2.1
241.12251	8.3
243.10220	1.2
254.09325	1.6
255.10161	7.2
269.11697	8.1
270.12442	13.6
271.09506	2.4
273.14996	1.2
286.11871	5.8
287.12808	1.1
301.14310	60.4
302.14752	1.3
341.17630	1.1
398.18613	0.9
447.21829	1.1
478.35220	17.1
496.36285	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
54.56129	1.0
55.01867	2.8
55.05490	2.7
57.03438	6.6
57.07061	3.6
61.02922	7.9
65.91864	1.1
67.05504	6.1
69.03429	19.7
69.07062	18.2
69.85789	2.9
69.86198	4.1
71.05001	1.7
73.02897	4.5
79.05489	7.1
81.03428	6.8
81.07053	80.9
83.08585	1.6
85.02901	100.0
85.06521	2.0
91.03950	3.7
91.05462	4.0
93.07043	5.2
95.04876	1.0
95.08598	29.7
97.02294	2.1
97.02885	28.0
97.10132	2.1
99.04414	4.0
99.08087	2.8
103.03939	1.8
105.07011	2.7
107.08559	2.9
109.02881	8.8
109.10137	6.0
111.08073	1.2
111.11717	19.2
115.03903	2.2
119.08573	2.3
121.10120	3.1
121.90756	1.3
123.08042	1.4
123.11679	1.5
127.03914	21.7
130.17000	1.2
131.08499	1.7
133.04861	1.4
133.10150	1.4
135.11664	1.9
137.05945	1.4
137.12192	1.5
137.13246	30.1
139.11165	1.5
145.04951	36.2
145.10071	1.4
149.09595	1.2
149.13145	1.4
153.12717	2.4
155.14290	15.9
163.06020	17.0
165.12769	1.4
167.07166	1.7
177.05414	1.5
179.14259	2.1
191.06784	1.4
263.16241	1.8
281.17477	1.5
303.04980	2.5
395.97916	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01849	2.4
55.05505	2.3
57.03436	2.8
61.02918	3.1
67.05487	3.6
69.03426	10.2
69.07057	4.1
69.26881	7.0
69.27306	8.3
71.01364	2.3
71.04984	5.5
73.02910	2.9
77.80511	1.4
79.05491	7.3
79.63355	1.4
81.03413	7.5
81.07051	100.0
82.07425	1.8
83.04983	2.7
85.02901	62.7
86.03293	1.5
87.04446	2.3
91.03943	2.9
91.05475	5.1
93.07038	4.1
95.04988	3.5
95.08607	12.5
97.02881	15.2
99.04456	4.2
107.04955	1.8
107.08572	3.0
109.02884	6.0
109.06557	2.1
109.10184	3.4
115.03922	2.7
119.04955	5.4
121.10143	2.2
123.04427	10.0
124.07580	3.8
127.03911	20.4
135.04373	1.9
135.11662	2.6
136.07539	1.5
137.05954	9.7
137.09599	1.6
137.13249	92.3
138.06300	3.3
145.04956	27.1
147.04388	10.6
148.04713	3.0
149.02293	1.9
149.13193	1.9
151.03969	1.7
159.26456	1.4
163.03905	12.8
163.06030	14.5
163.07381	3.3
165.05473	4.1
167.07004	5.4
167.14281	5.9
172.08643	1.7
175.03838	1.6
177.05444	2.5
179.06973	1.6
181.04936	4.7
187.07394	5.5
191.03378	18.8
199.07426	3.1
207.06522	3.7
216.07715	1.9
216.09976	2.7
239.21266	1.4
243.08766	13.1
244.09521	28.0
257.09882	1.5
260.14685	1.6
269.22098	1.6
271.05771	2.2
315.09201	1.6
317.19186	2.1
325.11530	2.5
343.08072	4.5
345.09500	3.5
357.09644	6.2
378.15198	6.0
379.16095	19.3
496.18692	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	496.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
55.05503	0.8
57.03416	0.8
57.07074	1.0
59.32393	0.5
60.04517	1.4
61.02922	2.4
63.52976	0.5
67.05498	3.4
69.03429	3.9
69.07056	1.5
71.04971	1.1
71.52927	0.6
73.02931	1.0
79.05489	6.3
81.03414	2.3
81.07052	100.0
82.07359	0.9
85.02898	25.5
91.03933	0.7
91.05493	1.1
93.07047	1.9
95.04968	1.1
95.08604	12.4
97.02889	5.9
99.04462	1.5
103.03946	0.6
105.07032	1.1
107.04939	0.7
107.08575	0.5
109.02881	2.3
109.10149	1.2
117.07076	0.6
121.10151	0.8
123.04437	2.1
127.03912	8.2
133.06436	0.4
135.04422	1.3
137.05975	2.7
137.13251	21.6
139.03931	0.8
145.04950	13.0
147.04417	2.1
148.04834	0.5
149.06020	1.2
151.03926	0.9
153.12746	0.7
155.07036	0.5
161.05893	1.0
163.03938	0.7
163.05991	4.8
165.05513	0.7
165.09154	0.6
167.06995	2.6
174.56577	0.6
177.05507	1.8
181.04999	1.0
191.03415	5.2
207.06450	1.0
210.15976	0.5
303.05014	0.5
334.29486	1.2
343.08273	1.7
345.09677	1.0
420.68967	0.5
433.16400	0.9
457.84424	0.5
478.87555	0.5
495.11191	0.6
497.14505	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3392
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05494	0.4
55.73593	0.2
56.05019	1.4
57.03419	0.5
57.07068	3.1
58.06583	1.5
58.06824	0.2
59.07380	0.4
60.08156	17.8
63.26343	0.2
67.05489	0.9
69.07057	0.3
69.56199	0.4
69.56596	1.2
71.06980	0.4
71.07365	6.9
71.08627	2.2
71.87338	0.2
80.97551	0.2
81.07041	0.8
83.08609	0.4
83.42791	0.2
85.10178	1.0
86.09693	52.6
87.10035	0.3
95.08592	0.9
97.10178	0.3
98.98455	4.6
104.10727	100.0
105.11050	0.3
109.10139	0.5
112.88240	0.2
124.99984	28.5
143.01035	0.3
163.01530	0.8
181.02597	0.2
184.07315	96.1
185.07707	0.4
189.46074	0.2
258.11020	1.2
284.32755	0.2
313.27374	2.1
331.37158	0.2
338.76151	0.2
393.17401	0.2
407.47641	0.2
415.14960	0.2
419.25122	0.5
462.36514	0.2
478.32852	10.1
496.33911	30.4
497.34299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.3
57.03428	0.3
57.07073	0.9
58.06615	0.5
60.08159	6.3
60.56239	0.2
67.05490	0.2
69.30697	1.8
71.07368	2.7
71.08631	0.5
73.51908	0.2
81.07050	0.2
83.08635	0.2
86.09697	28.6
91.47214	0.2
95.08602	0.3
96.52171	0.2
98.98460	2.7
104.10732	3.0
109.10159	0.3
124.99989	21.7
141.83788	0.2
143.01024	0.4
151.07562	0.3
184.07323	100.0
185.07646	0.2
258.10910	0.3
299.24841	0.2
313.27512	0.2
351.16199	0.2
478.32806	1.1
496.34085	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	10.8
57.03431	5.1
61.02937	3.3
69.03423	16.0
71.52374	5.1
76.75362	2.9
81.03423	5.6
82.76059	2.3
85.02895	32.0
87.04458	2.6
88.71952	2.6
89.86447	2.8
91.05476	2.6
97.02882	23.8
98.97567	28.2
99.04398	3.0
101.00858	6.8
110.97622	4.6
112.99121	6.2
113.00851	2.9
115.02450	3.5
116.98618	13.7
119.01886	16.8
119.04919	3.3
119.21299	3.0
127.03922	10.3
128.98579	6.6
129.04002	6.1
131.00188	10.0
131.01854	18.4
131.05527	8.0
133.03476	20.2
135.05147	2.8
136.06175	2.5
137.05968	10.8
143.00165	7.4
143.01907	7.5
145.03464	11.6
145.04988	7.8
146.99672	3.5
147.03375	4.2
147.05119	39.3
149.01215	7.0
149.06590	12.8
153.03941	2.7
155.01906	17.2
155.05504	2.9
157.01663	3.2
157.03476	11.0
158.99690	4.9
159.05038	11.4
161.01236	3.2
161.02969	12.0
161.06593	12.7
162.99106	2.8
163.02705	2.6
165.06088	11.8
171.03729	2.5
171.04991	17.7
173.01465	4.4
173.02968	18.7
173.06560	19.7
175.04544	9.7
177.00761	8.3
177.04349	4.7
177.06010	3.5
178.04916	5.6
179.01939	3.9
181.03830	2.9
183.05057	10.1
185.03009	3.5
185.06609	18.4
187.04436	4.3
189.00644	4.2
189.04387	5.8
189.06044	39.1
199.04549	3.5
199.08206	6.8
201.04349	5.0
201.06049	52.4
201.07744	5.3
203.04025	8.3
203.07634	27.9
205.04015	3.9
206.03421	3.1
209.06607	3.1
213.06113	3.2
215.07637	28.3
217.05676	3.4
217.09341	4.2
219.01750	10.2
219.07097	8.4
221.05026	34.2
221.06822	2.1
225.06033	13.8
227.07466	3.2
228.08539	3.8
231.07161	10.6
237.02789	33.3
239.07663	7.1
243.07623	3.1
245.05011	9.7
257.08875	4.9
259.06494	5.5
261.02789	4.0
261.08237	6.3
273.08243	12.7
275.09775	7.7
279.09265	5.3
289.07568	3.1
291.09244	100.0
292.09369	3.4
293.05386	7.8
305.10797	79.5
306.10754	3.2
309.10422	39.3
311.06537	3.0
316.08911	3.3
321.10596	29.8
322.10373	6.4
323.10397	10.8
337.09393	5.0
339.10876	5.5
348.11316	7.9
350.10587	3.6
351.11166	12.2
355.09061	8.0
377.08807	3.9
381.12030	4.3
437.11420	5.2
461.10788	3.3
465.10648	19.4
467.12296	4.0
479.12320	16.8
497.13327	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75583	1.0
63.88913	1.0
69.53212	8.8
77.00886	1.5
82.99872	2.3
85.01431	1.1
85.02855	1.1
94.99891	1.3
97.02850	1.4
101.00860	12.0
103.02426	3.7
105.00427	1.2
109.02879	1.4
113.00861	3.4
119.01910	33.1
121.03481	3.0
127.02376	7.6
131.01898	19.7
133.03467	1.7
137.02922	5.0
139.02431	2.5
142.03485	1.2
143.01874	20.0
145.03455	53.0
147.01372	4.4
149.02956	4.4
155.01875	29.2
157.03452	21.0
159.05026	1.5
161.01700	2.1
161.02945	26.4
163.04536	8.2
167.01886	10.6
169.03442	3.6
171.01376	8.4
171.05028	4.8
173.02953	60.1
175.04556	5.8
176.50594	1.1
179.01854	3.5
181.03418	2.3
183.01389	1.9
184.04485	1.2
185.02939	54.9
186.03087	1.8
187.04466	5.8
189.02406	12.6
191.03973	3.4
191.79434	1.1
193.01949	1.2
196.04538	2.2
197.02936	21.5
199.00861	4.6
199.04526	4.0
201.02434	3.4
203.03992	19.2
208.04477	1.4
209.02979	4.1
211.04369	1.5
215.03986	11.3
217.01913	55.1
217.05344	2.5
218.02048	1.7
221.05000	5.9
227.03961	11.5
228.04132	1.1
229.01913	13.5
229.05536	1.9
230.02042	1.2
235.02995	27.3
239.04031	1.6
245.05058	100.0
246.05206	3.2
247.02948	14.3
247.06575	2.9
253.04117	2.2
257.05045	16.0
258.04562	1.8
259.02991	1.4
263.06073	10.1
265.03934	2.6
273.04669	1.1
275.06107	15.2
277.01279	2.0
277.04044	21.9
293.07144	4.3
295.05194	1.2
301.04050	11.1
305.07120	9.4
307.08603	3.5
319.05072	27.8
320.05112	1.0
335.08173	4.0
336.54352	1.1
337.06122	32.5
365.09293	9.6
425.48395	1.1
481.10123	1.9
499.11438	27.1
500.11182	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01231	0.7
61.11563	0.7
64.91183	0.9
71.51694	1.2
71.88271	0.7
72.33224	0.8
81.03447	0.8
82.99834	1.7
86.33942	0.8
94.99850	1.4
97.02866	1.0
101.00861	13.2
103.01794	0.8
103.02435	3.1
107.15836	0.8
109.02856	1.4
113.00847	3.8
119.01914	25.9
121.03471	1.5
124.15480	0.8
127.02408	8.3
129.03917	0.8
131.01895	15.9
133.03430	1.7
137.02934	2.7
139.02409	2.0
142.03444	1.3
143.01878	19.5
145.03447	43.2
147.01360	3.1
147.04951	1.1
149.02957	3.1
155.01871	21.4
157.03452	17.4
161.02943	22.9
163.04497	5.0
167.01863	9.2
169.03462	3.1
170.74231	0.8
171.01413	6.3
171.05055	3.4
173.02946	45.5
174.03188	1.5
175.04533	4.8
179.01904	2.7
183.01369	2.1
185.02934	45.5
187.04495	4.8
189.02446	7.8
191.04033	2.3
197.02948	15.6
197.04753	1.0
198.03217	1.0
199.00827	4.7
199.04518	2.3
201.02448	3.3
203.03978	12.8
209.02917	2.9
215.03989	9.0
217.01913	57.1
218.02007	1.7
221.04961	4.9
227.04034	10.1
229.01936	12.9
229.05408	1.3
235.02972	21.6
239.04022	1.5
239.06331	1.0
245.05048	100.0
246.05244	2.6
247.02957	16.7
247.06593	2.5
253.04082	1.9
257.05014	12.5
258.04483	1.0
263.06088	11.8
265.03940	5.2
275.06107	15.3
277.04016	21.3
277.06882	1.6
286.07687	1.2
293.07101	5.2
301.04022	13.2
305.07153	9.9
317.07327	1.1
319.01349	1.6
319.05069	28.5
335.08145	5.5
335.43387	0.8
337.06113	33.1
347.08197	0.9
365.09229	9.4
379.07352	1.1
383.10013	0.9
411.37619	1.0
481.10080	1.0
499.11349	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	499.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54350	1.6
53.03935	4.0
55.01859	4.0
55.05505	28.0
57.03450	1.6
57.07069	8.6
59.51506	1.6
65.03921	2.4
67.05493	33.6
69.03420	11.8
69.07063	38.0
71.04969	5.9
71.08624	2.6
71.53398	2.2
73.02934	1.8
79.05487	20.1
80.64510	1.4
81.03407	6.6
81.07046	97.3
81.19119	1.6
83.04979	3.2
83.08608	19.2
85.02898	7.1
85.06515	6.8
85.10156	1.5
91.05464	14.9
92.26109	1.7
93.07032	32.8
95.04958	8.8
95.08595	100.0
97.02901	4.3
97.06522	7.1
97.10158	19.2
99.04452	3.8
99.08099	9.0
101.02367	4.5
105.07023	21.4
107.04930	2.5
107.08579	37.8
109.02869	6.2
109.06503	7.3
109.10142	60.2
111.04438	1.5
111.08089	5.7
111.11705	7.5
113.06046	2.0
113.09667	1.8
117.06992	3.9
119.08566	21.9
121.06508	3.6
121.10126	30.1
123.04462	4.1
123.08059	4.3
123.11693	25.9
125.09618	7.0
127.03846	3.9
127.11241	1.8
129.06996	2.9
131.08559	6.5
133.10100	18.4
134.10413	2.3
135.04391	7.2
135.08069	4.7
135.11673	16.7
137.05983	3.7
137.09605	4.5
137.13217	7.4
139.11139	10.3
143.10625	4.5
145.10120	12.2
147.04391	6.1
147.08122	2.5
147.11674	12.4
149.05957	2.8
149.09581	4.0
149.13242	18.1
151.03917	3.4
151.11151	6.1
151.14815	11.3
153.05482	2.6
153.12724	2.5
155.10672	2.2
157.10049	2.3
159.11646	10.3
161.05952	2.5
161.09653	3.5
161.13228	9.5
163.03918	1.9
163.07578	1.9
163.11205	4.6
163.14812	10.6
165.05467	3.1
165.09073	2.6
165.12755	3.5
165.16348	2.0
167.07079	3.6
169.10086	2.3
170.10498	2.3
171.11652	3.1
173.13193	7.6
174.02547	1.5
175.07477	2.5
175.14806	8.9
177.05432	3.6
177.12776	2.3
177.16321	3.8
179.14297	3.2
180.39268	1.5
185.13268	2.5
186.13585	3.2
187.14838	8.1
188.15581	2.8
189.16354	5.0
191.14261	2.7
191.17963	6.3
201.16362	5.7
203.14351	3.5
203.17906	2.1
204.14787	4.7
205.15608	4.3
207.06374	2.1
207.17456	2.8
209.15327	2.0
215.07184	2.9
215.17903	5.6
219.17415	5.3
221.15213	2.4
222.15761	2.2
231.20982	1.6
233.19101	2.9
241.35732	1.6
271.24277	8.0
289.25253	27.3
301.21426	3.6
307.26239	4.5
319.22711	5.0
319.26260	2.7
337.10629	3.0
481.27988	7.2
499.18713	2.7
499.29388	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	499.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.0
55.01858	6.9
55.05505	37.7
57.03436	25.9
57.07066	8.8
58.98506	1.9
61.02921	62.7
65.03933	2.5
66.60352	2.2
67.05499	91.0
69.03426	42.6
69.06725	3.2
69.07064	41.8
71.01347	4.1
71.04975	7.8
71.08622	5.4
71.53036	3.2
71.70521	1.9
73.02907	34.1
79.05483	33.6
81.03414	24.8
81.07050	100.0
82.07395	2.4
82.57148	2.3
83.04962	8.1
83.08607	22.8
85.02896	60.8
87.04426	2.2
91.03941	39.0
91.05470	26.9
93.07031	41.4
95.04947	7.2
95.08594	77.6
97.02879	56.0
97.06502	9.1
97.10158	15.3
99.04430	12.8
99.08062	5.0
101.02361	15.7
103.03930	9.3
105.07031	20.1
107.04962	3.9
107.08578	26.2
109.02823	11.5
109.06504	5.9
109.10140	35.0
111.04433	2.8
111.08095	3.0
111.11701	4.3
115.03928	7.0
117.05532	4.4
117.07005	4.3
119.08592	16.9
121.06496	5.2
121.10131	19.2
123.11680	19.9
125.09581	4.2
126.47638	2.4
127.03902	22.5
129.05441	4.4
131.08531	5.6
133.10118	14.7
135.08032	3.0
135.11662	10.4
137.09613	2.7
137.13251	6.5
139.11165	2.7
141.07014	2.4
145.04935	6.5
145.10127	4.2
147.11681	14.1
149.13223	8.5
151.07541	3.0
151.14778	3.2
153.12785	2.5
157.10068	3.4
159.06503	3.2
159.11687	2.3
161.09499	2.5
161.13223	11.7
163.14816	7.1
165.12724	2.9
165.16331	2.4
169.10016	3.8
171.11670	2.2
173.13264	3.6
175.14784	9.1
177.12848	2.9
179.14264	3.0
183.06520	5.5
185.13246	3.3
189.11215	2.2
189.16309	5.4
193.15852	2.6
201.07617	4.2
201.16469	2.6
245.22626	16.9
261.22034	2.9
263.23584	23.2
303.23026	4.3
317.24640	3.0
337.27332	86.8
338.27847	3.2
347.44003	2.4
353.24664	4.0
355.28253	2.4
365.26874	5.0
371.25754	6.9
379.28018	3.2
389.26837	4.0
407.27765	2.8
445.29840	2.5
463.30887	3.3
481.31277	7.0
499.32983	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61077	0.3
66.04707	0.5
69.97865	1.8
72.30254	0.3
81.03417	0.5
85.02891	1.1
91.05483	0.6
94.04179	1.3
95.04943	0.4
97.02888	0.8
109.02884	0.6
122.03636	3.6
137.05966	100.0
138.06345	1.1
147.04414	0.4
149.05984	0.9
149.07155	0.4
151.07515	0.4
153.07027	0.7
171.90041	0.4
179.07025	1.4
179.76988	0.3
181.06512	1.2
202.10727	1.0
209.06010	0.6
213.09081	0.9
241.08618	0.8
253.08629	0.5
273.11301	3.4
275.92734	0.3
285.11258	1.7
303.12219	1.1
307.20871	0.3
402.76154	0.3
445.72253	0.3
525.12579	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70028	4.9
67.05486	10.0
69.03406	10.5
69.07053	7.6
71.04984	20.9
71.53365	9.2
76.63924	4.7
79.05472	16.5
81.03399	14.3
81.07050	45.9
83.04974	8.0
85.02897	12.2
91.05473	8.9
93.07029	16.7
95.04973	7.1
95.08595	15.9
97.02883	13.5
97.06514	11.3
105.07028	13.3
107.04944	6.9
107.08588	13.8
109.02881	13.5
109.06531	4.9
109.10140	7.0
116.85218	4.6
119.04928	5.9
119.08561	6.2
121.06654	5.5
121.10141	100.0
123.08063	5.9
123.11700	28.1
125.06023	7.5
125.09618	10.4
127.03893	14.6
137.05949	19.3
137.09523	5.2
139.11150	24.7
147.04367	22.8
149.09613	8.8
153.48117	5.8
165.08989	6.0
167.07034	5.8
167.10699	64.0
170.91324	4.8
177.05515	13.2
185.11754	33.3
227.12802	7.8
311.14917	16.1
329.15857	53.3
347.16907	19.4
501.12100	6.3
501.23236	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07045	5.1
67.05499	7.7
69.03411	9.8
69.07044	7.0
71.04982	24.1
71.36964	10.3
79.05467	15.9
81.03401	15.4
81.07048	44.2
85.02892	10.4
91.05465	10.9
93.07008	17.1
95.04936	6.8
95.08581	14.4
97.02885	19.7
97.06538	11.5
97.10132	5.7
105.07041	7.3
107.08565	11.5
109.02876	11.4
119.04981	4.7
119.08598	8.5
119.73854	4.4
121.10126	100.0
123.08080	8.9
123.11714	30.9
125.05977	17.1
125.09602	17.5
127.03892	16.3
133.10130	5.1
135.11658	8.3
137.05957	18.1
139.11145	26.1
147.04359	16.9
149.09550	10.4
167.10637	50.7
177.05495	5.9
185.10252	5.5
185.11679	33.1
188.03780	29.5
189.04109	6.0
193.04964	7.8
293.13739	6.7
311.14865	18.7
314.06955	6.4
329.15894	41.6
333.08438	6.4
347.17081	8.2
355.08667	4.6
410.68817	5.4
501.23456	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.5
55.01864	7.6
55.05507	52.9
57.03421	8.1
57.07070	8.3
57.72021	4.2
58.74475	4.3
67.05223	4.1
67.05505	39.6
69.03415	27.9
69.07065	50.2
70.44963	13.5
71.04983	9.0
79.05481	30.0
81.03415	35.3
81.06583	6.1
81.07045	100.0
83.04967	15.4
83.08602	14.3
85.02887	14.8
85.06534	12.9
91.05476	40.8
93.07032	65.1
95.04955	43.6
95.08598	92.6
97.02892	13.2
97.06510	19.2
97.10160	71.6
97.98849	3.5
99.04438	7.6
99.08092	6.2
105.06369	3.2
105.07015	62.6
107.04932	6.3
107.08573	57.8
109.02870	22.6
109.06506	21.0
109.10141	70.5
111.04381	7.3
111.08064	14.5
111.11713	8.3
117.06996	10.0
119.08557	42.5
121.06492	12.7
121.10122	39.2
123.04456	3.6
123.08063	8.6
123.11701	38.7
125.05943	3.7
125.09612	17.3
127.03860	20.4
129.07004	8.8
131.08537	17.8
133.10121	28.3
135.08028	9.8
135.11670	30.3
137.05960	11.2
137.09598	12.7
137.13243	4.7
139.11191	22.5
141.07037	4.4
143.08563	7.5
143.10655	20.7
145.10092	29.3
147.04381	7.3
147.08017	6.4
147.11647	40.6
149.09610	9.7
149.13245	15.5
151.07486	7.1
151.11163	8.6
153.09131	3.4
153.12671	3.7
155.08574	4.2
155.10620	5.0
157.10117	10.1
157.12206	8.7
159.07990	5.8
159.11617	19.2
161.05991	4.0
161.09628	7.7
161.13231	18.7
163.11163	10.3
163.14728	9.9
165.12799	8.1
171.11644	4.4
173.05968	4.8
173.13167	18.6
175.11168	6.4
175.14813	14.5
177.05435	8.7
177.09068	4.6
177.12723	8.6
177.16379	5.3
183.11707	3.9
187.11169	6.7
187.14813	9.4
189.11220	6.9
189.16376	7.0
191.14297	6.9
201.12775	5.5
201.16452	4.6
203.06871	5.4
203.14345	4.0
205.15909	5.8
209.15338	7.8
213.12770	6.3
247.17059	4.8
257.22644	4.7
267.21002	4.1
285.22205	6.6
291.23193	7.3
293.25125	4.4
297.11072	6.9
298.97772	4.0
303.23038	28.5
303.73431	4.1
315.14447	6.0
321.24161	15.0
401.26892	4.2
411.25055	8.7
429.26199	16.3
435.27136	3.7
447.27582	28.6
465.28464	23.5
483.29297	13.5
501.18317	7.1
501.29532	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	503.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44632	3.6
55.05490	11.7
57.03416	4.0
57.07067	4.1
63.40511	3.4
64.56178	3.8
66.89435	4.0
67.05489	6.1
69.03411	10.3
69.07045	17.5
69.29562	3.8
69.56070	7.7
69.56474	21.0
71.04975	6.3
79.05450	8.5
80.15846	4.2
80.27741	3.9
81.03391	11.9
81.07040	31.7
83.04951	4.4
85.02869	11.8
85.06533	8.0
91.05458	12.6
93.07019	15.7
95.04925	5.4
95.08597	23.3
97.02868	10.3
97.10187	7.0
98.97562	9.0
98.98161	4.6
103.05345	4.0
105.06997	14.4
107.04909	7.0
107.08572	18.6
109.02869	7.1
109.10155	17.8
111.08032	4.0
117.06996	4.8
119.08540	11.4
121.06490	4.7
121.10122	16.5
123.04417	11.4
123.08099	6.1
123.11691	8.9
127.03871	12.6
130.06479	5.2
131.04919	9.2
131.08571	9.8
133.10120	16.8
135.04407	64.5
135.07994	4.0
135.11674	8.9
137.05957	30.2
137.13214	5.1
145.02759	4.6
145.06441	7.5
145.10110	9.4
147.04387	13.3
147.08015	5.1
147.11697	9.4
149.13235	9.8
151.03876	7.9
151.07530	8.8
157.10133	4.3
159.11656	6.1
161.05957	6.3
163.07512	5.1
167.05551	5.9
167.06956	6.4
173.13213	3.5
177.05437	7.4
179.07057	4.2
181.08568	10.8
191.06949	5.7
191.14273	7.4
263.07141	4.2
299.06171	7.6
305.24875	4.7
311.09085	6.1
321.11380	4.9
341.10172	33.0
503.18674	100.0
503.31363	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2481
Annotation	Eriojaposide A
Peak:m/z	Relative Intensity
50.80118	1.0
55.05524	0.9
57.03429	1.5
61.02925	1.6
69.03424	4.2
69.76283	4.3
71.04987	0.8
73.02907	1.8
81.03409	4.1
81.07037	0.9
83.04990	1.9
85.02896	10.3
87.42196	1.0
93.07021	1.2
95.04964	2.7
95.08589	1.8
97.02868	3.3
98.20847	1.1
107.08604	3.8
107.31172	0.9
109.02801	1.0
109.06512	3.1
111.08118	0.7
119.08598	0.9
121.06538	1.0
121.10102	4.8
123.08051	3.4
123.11704	2.6
127.03915	2.8
133.10121	1.2
135.08064	1.2
135.11755	0.9
137.09608	4.6
138.24960	0.8
144.59422	0.8
145.04955	2.4
145.10054	1.0
147.11691	1.6
149.09587	3.4
149.13243	3.0
150.71234	0.8
151.11159	11.4
158.10841	0.8
165.12735	31.4
173.13297	1.3
191.14297	9.6
193.15823	1.6
209.15350	100.0
210.15663	2.7
237.28896	0.8
371.20654	4.8
390.36288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2481
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
51.97196	1.4
51.97477	1.4
53.03928	1.8
55.05497	3.0
67.05493	3.2
69.03408	5.0
69.07036	3.6
69.54463	6.2
69.54891	3.6
71.04972	2.7
81.07040	4.5
83.05007	7.0
83.71175	1.3
85.02904	2.2
93.07024	3.5
95.04956	2.4
95.08593	12.1
97.06502	3.9
98.97544	1.4
99.08071	3.0
105.07052	3.1
107.08592	18.9
109.06493	3.5
109.10136	9.3
121.06484	1.6
121.10121	17.7
123.08091	1.3
123.11674	1.4
125.09620	10.5
131.08566	2.7
133.10045	6.8
135.08049	7.4
135.11667	2.3
137.05957	1.7
137.09576	3.9
139.11131	3.7
147.11661	5.1
149.08572	1.4
149.09538	7.7
149.13240	13.2
151.11169	51.6
152.11555	1.7
158.10834	1.5
163.14775	8.1
165.12721	4.9
173.13237	10.3
177.98344	1.5
191.14285	55.2
209.15334	100.0
210.15691	2.4
381.82596	1.5
402.67685	1.3
405.02426	1.4
485.58099	1.8
494.04498	1.4
503.19028	17.4
517.51709	1.4
524.80280	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75145	2.0
53.03933	5.4
53.33449	2.2
55.01865	3.8
55.05511	29.5
57.03420	5.0
57.07062	8.2
67.05505	31.0
69.03424	12.1
69.07066	47.3
70.41925	2.0
70.97316	4.4
70.97656	2.8
71.04985	7.3
73.02904	2.2
79.05482	20.9
81.03412	18.8
81.07052	100.0
83.04988	5.9
83.08609	10.1
85.02894	9.8
85.06541	15.2
91.05474	14.5
93.07046	50.6
95.04951	8.9
95.08603	78.8
97.02880	9.6
97.06523	8.1
97.10160	29.7
99.04440	7.6
99.08089	5.8
105.07025	23.5
107.08583	51.4
109.02881	17.6
109.06490	5.5
109.10144	40.3
111.04421	4.7
111.08073	18.3
111.11727	10.1
115.03953	3.9
115.07504	2.8
117.06993	3.9
119.08556	20.3
121.10134	29.0
123.04479	2.2
123.08078	5.1
123.11701	47.1
125.09621	6.7
127.03883	15.5
131.08548	4.5
133.10130	16.0
135.08051	2.8
135.11678	21.2
137.05968	10.3
137.13252	19.4
139.11163	14.5
141.12741	3.4
143.08583	4.2
143.10649	3.2
145.10100	9.6
146.49754	2.3
147.08069	4.2
147.11655	15.0
149.09584	3.3
149.13248	38.5
151.11151	6.5
151.14864	3.5
153.12724	7.8
155.10780	2.8
155.14326	2.8
155.91769	2.2
157.10130	4.7
157.12263	7.8
159.08099	3.7
159.11693	7.7
161.09621	4.2
161.13266	12.8
163.11166	3.2
163.14810	10.6
165.09204	3.3
165.12732	5.3
167.07141	3.6
169.12207	3.0
171.11659	3.4
173.09610	5.2
173.13251	5.5
175.14810	6.1
177.12741	3.7
177.16304	3.2
179.10664	2.9
179.14345	3.9
185.13246	2.2
187.11189	3.5
187.13248	6.7
187.14792	3.8
189.16444	5.5
191.14328	4.1
203.10805	3.3
203.12749	3.8
208.06918	2.5
213.16469	2.6
219.17407	3.6
249.18472	3.7
275.23795	3.6
277.25241	5.4
287.23471	4.6
293.24744	6.8
305.24716	19.0
313.16449	3.5
323.25723	10.0
329.24817	3.3
413.26852	9.8
431.27896	10.3
437.28983	6.0
449.28912	13.0
455.30057	3.6
467.29999	9.3
503.31705	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	503.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.0
55.01860	1.6
55.05508	47.8
57.03418	2.0
57.07076	18.6
60.60582	1.5
67.05502	18.4
69.03386	2.1
69.07065	45.1
70.19766	3.1
70.20164	3.5
71.04999	1.8
71.08621	10.1
79.05480	14.9
81.03412	100.0
81.07057	16.2
82.29513	1.7
83.04967	3.6
83.08616	55.9
83.09119	3.0
85.10168	4.2
91.05482	21.3
93.07053	7.8
93.07558	1.5
95.04955	27.6
95.08590	5.0
97.02882	2.7
97.10165	33.7
98.21494	1.8
105.07019	13.2
107.04964	6.5
107.08592	3.1
109.06601	2.3
109.10187	1.7
111.08080	8.7
111.11682	10.7
117.06992	2.7
119.08572	15.6
121.06482	2.0
121.10139	6.2
123.08069	1.9
125.13298	2.5
129.06982	10.0
131.08565	10.2
133.06474	3.1
133.10123	3.0
137.09621	2.2
142.07761	3.6
145.10175	2.2
147.08058	3.7
147.11678	6.2
149.09636	5.3
157.10147	10.0
175.11128	10.0
193.12242	40.5
193.13867	2.9
237.22163	2.6
249.14893	6.2
342.89157	1.4
371.27252	2.1
419.33679	1.7
503.37363	98.8
504.37888	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	504.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.05503	6.7
57.03423	1.6
58.38009	0.9
58.42977	0.7
59.09170	0.8
59.90046	0.8
61.02919	1.1
63.16467	0.8
67.05496	3.8
69.03423	3.2
69.07064	13.4
70.06591	1.3
73.02921	7.6
74.27040	0.8
79.05489	5.8
81.03415	2.0
81.07050	16.0
83.08616	3.4
85.02887	5.2
86.13972	0.8
91.04900	1.4
91.05470	21.6
93.07032	8.4
93.07573	1.1
95.04985	2.2
95.08593	19.4
97.02863	4.1
98.20734	2.1
99.04464	0.8
103.05468	2.2
105.07021	33.4
107.08576	13.8
109.02869	1.6
109.06531	1.0
109.10165	2.7
115.03906	2.7
115.05452	1.8
117.07010	6.0
119.08568	85.6
120.08882	1.0
121.10147	4.2
123.11736	2.3
127.03896	3.0
131.08571	4.0
133.04962	3.2
133.10118	51.1
135.11691	2.4
137.05997	1.5
145.04953	3.1
145.10146	4.1
147.11667	11.2
148.12111	0.9
150.07619	0.9
160.12418	2.8
163.06021	1.4
173.13297	1.8
175.14804	100.0
177.16434	1.3
192.17484	9.4
193.15871	2.8
229.25977	1.0
232.90561	1.0
259.08023	1.7
261.43549	0.9
286.97485	0.9
295.10297	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66633	2.0
56.96556	33.9
57.03417	2.4
60.04464	1.9
61.02903	2.0
65.45384	1.9
68.75254	1.6
69.46786	16.5
71.95278	2.0
78.65957	1.8
84.96034	8.2
85.02883	6.1
97.02877	3.1
97.96803	4.3
98.97566	93.3
99.05556	3.0
105.23759	1.8
107.12450	2.1
110.97556	13.6
112.99130	3.4
116.98607	66.6
119.04959	1.8
123.04438	3.3
126.26455	2.0
127.03946	3.5
128.98590	32.8
131.00104	4.5
134.99641	36.6
135.04387	2.4
139.03812	2.0
140.00183	3.4
143.00131	3.1
144.98045	2.8
146.99622	29.5
147.04358	2.5
149.01204	4.6
153.00778	3.4
153.45311	1.9
158.99638	7.2
161.01219	7.2
162.99110	2.5
163.03900	2.3
165.00653	3.8
167.05649	3.4
167.06946	5.2
170.99693	5.4
177.00684	10.5
177.05530	3.1
189.00696	8.6
197.01234	2.6
219.01709	27.8
227.02209	6.0
237.02779	77.2
238.01430	2.4
241.03749	2.8
242.00972	7.9
243.05424	6.3
255.03914	6.5
256.02563	3.8
260.02069	9.2
260.04547	2.8
265.03827	24.9
265.11151	4.0
268.02518	15.9
271.04871	6.6
274.03500	2.9
275.04486	3.4
277.03854	2.1
281.03278	3.7
283.04846	30.7
283.12292	2.4
285.06378	7.6
286.03568	15.5
289.05777	4.1
295.04819	2.8
297.02716	6.7
299.04373	8.2
301.06033	14.1
307.04810	36.5
307.12119	3.5
309.06369	8.0
325.05905	64.4
325.09808	3.1
327.07538	4.9
343.07086	5.0
348.07449	3.5
367.07095	18.8
377.48239	2.0
385.08020	4.6
387.95380	2.0
394.05405	2.1
397.08014	3.2
401.49243	1.9
415.08990	4.1
427.09070	10.4
445.10153	100.0
445.16763	4.5
463.11191	19.9
505.12021	18.5
505.19019	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	505.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
54.68981	0.8
55.01855	1.0
57.03415	1.2
63.52941	0.7
67.05502	0.9
69.03416	5.9
70.06556	1.1
71.52975	1.0
79.05475	2.1
81.03407	6.5
82.23042	0.7
83.04988	0.7
85.02894	4.7
85.06543	0.9
87.04490	0.9
89.07149	2.5
91.05463	7.0
93.07017	1.2
94.04174	1.6
95.04929	1.6
97.02873	2.1
99.04422	0.8
99.08115	0.9
103.05457	3.2
105.07027	7.2
107.04939	1.0
109.02858	3.8
109.06518	0.9
109.10184	1.0
111.04372	0.9
117.07027	1.8
119.04942	6.1
121.06463	1.4
122.03637	5.4
123.04424	1.1
127.03926	4.0
129.06985	1.2
131.04880	4.1
131.26653	0.7
133.06467	7.5
135.04364	0.9
136.05174	1.2
137.05960	100.0
137.39442	0.7
138.06329	1.2
145.04942	1.1
145.06444	1.6
147.04344	4.5
149.06029	1.3
151.03903	2.7
151.07518	30.9
159.08156	1.1
161.05948	3.5
161.09583	0.8
163.07497	5.2
164.04657	1.7
165.05492	0.8
165.09103	4.0
167.07079	1.4
175.07512	3.9
177.05484	2.6
177.09163	2.0
179.07016	31.9
187.07484	1.5
189.09087	2.7
191.03325	1.3
191.07021	2.8
191.08641	0.9
193.08577	1.8
195.08200	0.9
195.10149	1.2
201.09091	1.3
203.06938	1.6
203.42116	0.8
205.08522	1.1
207.06508	0.9
207.10117	1.0
209.08203	0.8
213.09099	1.4
217.08568	1.7
219.10182	0.7
229.08659	0.9
231.10089	1.1
265.08728	0.9
273.11200	0.9
297.11255	1.3
325.14224	1.2
330.11957	3.2
343.07974	1.0
343.15454	2.4
457.60074	0.7
505.14597	1.9
505.21918	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	505.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.01883	0.9
55.05496	1.4
57.07076	4.1
57.65642	0.7
63.52080	0.6
65.03937	1.5
67.05510	3.9
69.07056	1.4
69.66821	0.6
69.79987	4.1
71.08630	3.2
79.05491	3.9
81.03410	7.0
81.07047	6.2
83.08606	3.1
85.10175	1.5
91.05463	15.8
93.07043	2.6
94.04126	0.6
95.04974	3.9
95.08607	3.8
97.10136	1.0
102.31175	0.6
103.05453	11.8
104.06252	1.0
105.07024	5.7
105.25086	0.6
107.04948	7.1
107.08552	0.9
108.05733	1.2
109.06487	2.4
109.10140	2.1
115.05428	2.6
117.07007	5.9
119.04949	3.2
119.08549	4.3
121.06487	6.0
122.03643	1.9
123.04417	1.6
123.11707	0.6
124.05168	0.8
128.06195	7.0
129.06973	2.1
131.04919	8.0
131.08553	1.5
132.05692	3.5
133.06497	3.2
133.10117	0.9
135.04399	1.4
135.08083	1.4
136.05191	11.7
137.05963	26.2
138.06744	5.7
139.07526	2.2
141.06885	0.6
142.07660	0.7
143.08543	12.1
145.06488	6.3
145.10132	1.9
146.07249	2.3
147.08031	8.0
147.11754	0.8
148.05165	1.9
148.08765	4.7
149.05977	2.9
149.09589	1.1
151.07533	64.9
157.10104	1.2
159.08060	1.7
160.08807	1.1
161.06062	1.1
161.09666	3.2
161.13399	0.7
162.06689	1.3
163.07536	12.9
164.08319	11.3
165.09122	5.5
165.53075	0.6
171.08038	11.5
172.08820	1.5
173.05998	1.8
173.09599	2.6
175.07553	5.3
175.11189	1.9
177.05534	1.0
177.09064	4.6
179.10657	100.0
187.07521	2.4
187.11134	0.7
188.08293	13.5
188.11987	2.5
189.09024	1.7
190.09854	2.0
191.10686	1.1
193.12155	4.2
194.37497	0.6
195.28946	0.7
203.10648	39.2
204.11169	1.1
217.12119	1.1
219.13789	12.0
220.09023	0.7
235.11145	1.0
239.23721	1.0
243.13789	1.2
255.10036	0.8
263.10574	0.7
279.86362	0.6
281.12045	0.9
283.09625	2.4
289.85110	0.7
295.13284	1.1
298.12015	1.3
299.12772	1.8
327.15863	31.4
448.26950	0.7
505.25482	2.0
505.38980	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	505.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03414	1.1
55.01863	1.7
55.05489	2.5
57.03428	3.3
59.03220	1.3
61.02913	3.5
61.45728	1.1
69.03416	7.3
69.07052	3.0
69.28506	8.9
69.28917	3.4
69.49804	1.1
71.01359	1.6
73.02908	14.3
79.05477	2.0
81.03405	1.5
81.07050	10.5
83.08642	1.1
85.02901	13.6
91.05468	5.1
93.07025	4.5
95.08588	13.7
97.02882	8.1
98.21540	2.0
99.08078	2.5
105.07027	9.1
107.08595	8.1
109.02911	2.1
109.10157	1.7
115.03929	4.6
119.07686	1.9
119.08566	40.3
119.58101	1.2
121.02791	1.4
123.11704	2.7
127.03884	4.5
133.04962	5.8
133.10115	49.3
135.11661	9.9
137.05940	2.7
145.04938	3.1
147.11629	2.1
174.28900	1.2
175.14809	100.0
176.15102	1.3
189.24690	1.4
193.15845	12.9
211.17001	7.7
303.04947	4.2
310.75046	1.6
327.04941	5.4
333.88611	1.5
343.06207	2.1
344.07513	4.9
449.01404	1.3
455.38284	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44951	1.3
55.01861	2.6
55.05486	2.0
57.03422	5.7
58.63047	1.4
61.02909	1.4
67.05488	2.4
69.03429	7.2
69.07063	3.5
69.65205	10.2
71.04954	2.1
73.02906	5.0
74.57835	1.3
79.05457	2.5
81.03410	2.6
81.07040	8.8
84.21229	1.3
85.02908	11.5
85.58020	1.5
85.99750	1.3
91.05462	7.7
93.07027	5.7
95.04945	2.0
95.08601	12.3
95.89764	1.4
97.02891	6.9
99.08068	3.4
105.07037	11.2
107.08590	8.4
109.10187	2.7
115.03895	3.7
119.04927	3.4
119.08570	37.4
121.10136	1.9
123.11640	1.8
127.03900	4.0
131.08545	1.6
133.04927	5.1
133.10118	48.7
135.11664	9.5
137.05963	5.3
145.04924	3.0
147.04430	11.2
147.11673	4.4
149.05978	1.5
175.14816	100.0
193.15884	13.1
200.43025	1.3
211.16924	13.6
237.63029	1.4
327.05084	2.2
344.07693	2.7
487.81345	1.5
505.20645	7.8
516.14685	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33892	1.4
55.01844	1.6
55.05506	14.8
57.03432	8.6
57.07068	3.5
59.04982	4.0
65.03928	2.7
67.05496	100.0
68.56471	1.4
69.07056	7.7
71.04971	3.9
71.53138	2.0
75.65250	1.4
79.05489	22.9
81.03370	2.7
81.06588	1.7
81.07049	27.8
83.08607	7.1
85.06525	2.8
91.05465	29.9
93.07033	31.2
93.07610	1.7
93.46590	1.3
95.04938	4.0
95.08594	17.9
97.06490	1.7
97.10149	3.4
99.08097	1.7
105.07017	30.9
107.08575	18.1
109.06436	1.9
109.10143	62.9
111.08060	3.1
117.06978	10.1
119.08569	33.3
121.06452	1.6
121.10109	11.9
123.11669	1.8
125.09582	2.0
126.95039	1.6
129.07007	5.1
131.08557	15.1
133.10106	21.5
135.11697	10.8
137.05914	1.5
137.09578	2.9
143.08501	5.0
145.10089	11.6
147.11671	22.1
149.13211	7.6
151.07474	4.8
155.10622	3.3
157.10086	4.7
159.11687	6.0
161.13208	17.1
163.11086	1.7
165.05423	2.6
165.06749	1.4
165.09096	1.6
166.66582	1.4
171.11630	5.5
173.11694	23.6
173.13248	5.5
175.14832	7.3
179.10620	1.7
185.13242	6.2
187.14763	2.6
189.11176	2.5
199.14793	2.7
205.10371	1.3
212.54529	1.5
213.16418	2.1
227.12766	5.8
229.14305	50.7
231.21045	3.9
241.19482	20.4
259.20541	51.5
261.22000	2.0
315.23090	3.6
333.24216	25.6
374.72977	1.4
395.29599	1.7
487.34384	9.8
505.35217	6.0
523.80988	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04524	1.0
51.32966	1.0
53.03935	4.7
55.01863	2.2
55.05506	13.3
57.03428	2.5
57.07072	47.0
59.83879	1.0
60.01168	0.9
65.03941	1.8
67.05498	34.2
69.03400	1.8
69.07059	12.3
71.04282	2.0
71.04981	1.3
71.08627	30.0
77.37095	0.9
79.05485	17.1
81.03412	100.0
81.07047	32.0
83.04961	4.5
83.08611	32.0
85.06554	1.3
85.10174	17.6
91.05478	20.9
93.07033	11.7
95.04959	25.3
95.07979	1.7
95.08598	34.8
97.02892	2.2
97.06499	1.3
97.10155	7.2
99.11752	2.0
105.07024	15.0
107.04928	5.4
107.08568	3.0
109.06544	1.9
109.10136	15.9
111.04431	2.1
111.07413	1.5
111.08066	7.6
111.11736	2.0
115.05437	2.4
117.06986	2.9
119.08573	12.8
121.06499	3.3
121.10134	5.3
123.04456	1.9
123.11729	6.1
125.13226	1.7
129.06982	10.3
131.08583	8.1
133.06505	4.2
133.10085	5.2
135.11670	1.7
137.13281	4.7
142.07747	2.1
147.08046	4.3
147.11679	7.2
149.09584	3.2
151.07487	1.4
157.10100	11.0
161.39513	1.2
165.12759	1.3
175.11169	10.4
193.12225	62.3
211.61954	1.3
214.02249	1.2
221.22667	1.7
231.13887	1.8
239.23677	10.4
249.14932	4.8
259.20599	1.2
343.71204	1.0
367.03625	1.2
408.96332	1.1
505.38895	85.0
506.38892	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	505.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.3
54.04560	1.2
55.01861	2.9
55.05507	11.8
57.03439	1.9
57.07071	44.1
62.10968	1.2
65.03947	1.6
67.05138	1.8
67.05499	37.2
69.03435	1.9
69.07063	11.2
69.56625	9.5
71.08627	30.2
73.13802	1.2
78.88796	1.5
79.05487	16.6
81.03412	100.0
81.07052	31.5
83.04973	4.3
83.08615	33.9
85.10181	15.3
91.05473	23.4
93.07047	11.2
95.04963	24.5
95.08599	36.2
97.02889	2.6
97.10152	7.8
105.07018	14.6
107.04964	7.8
107.08606	3.9
109.06516	3.2
109.10139	13.8
111.04447	1.8
111.08057	6.3
117.06991	2.3
117.84879	1.4
119.04995	2.6
119.08559	14.9
121.06519	3.4
121.10149	5.1
123.04440	1.8
123.11708	5.4
129.07004	12.4
131.08560	10.6
133.06496	5.5
133.10136	3.8
137.13266	2.0
142.07777	2.8
147.08051	3.9
147.11700	4.8
149.09615	3.8
151.07520	2.0
151.14874	2.2
157.10147	8.8
165.12810	2.9
175.11172	10.7
179.10695	1.4
193.12238	58.2
194.10448	1.2
239.23586	9.5
249.14772	6.4
253.69637	1.3
409.25729	1.6
505.38901	90.0
506.39279	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.05499	1.9
57.03404	1.1
60.04507	1.4
68.05023	1.3
69.03424	5.0
70.06570	2.8
71.04954	1.2
71.11824	2.2
71.22181	0.9
73.02907	2.3
75.90155	1.0
79.05470	1.9
80.05013	1.1
81.03424	5.0
81.07032	2.8
83.01296	1.0
84.04041	1.5
84.04501	15.5
85.02886	3.5
91.05438	1.6
93.07008	1.7
94.87221	1.0
95.04954	1.1
95.08595	1.8
96.04483	19.5
97.02893	6.6
98.06044	9.8
99.04427	2.2
105.07024	1.2
107.08589	1.9
108.04476	1.3
109.02859	5.9
109.10133	1.7
114.05534	1.4
121.02856	2.3
121.10124	1.7
123.11637	1.3
126.05508	26.8
127.03878	3.3
133.05029	1.0
133.10066	1.2
137.05956	2.7
138.05490	100.0
140.07053	1.5
142.03137	1.6
144.06548	24.1
147.04329	1.4
149.09607	1.6
151.11160	2.4
163.03951	1.5
165.12732	2.4
166.13051	2.6
168.06543	26.0
169.12190	3.0
177.05484	1.7
179.03059	1.2
186.07600	25.1
192.14545	1.3
204.08653	25.3
209.15309	5.5
210.15715	8.0
211.15938	3.4
212.16295	2.8
229.05054	2.0
237.58047	1.1
252.97751	1.2
286.04755	1.3
302.06674	1.3
303.04959	17.0
326.06479	1.3
344.07477	3.2
374.26044	1.1
506.19781	2.0
506.26434	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58733	1.0
55.01857	1.1
55.05499	1.3
57.03433	10.6
59.04985	1.7
60.04520	2.2
69.03426	33.3
69.07075	1.3
70.97247	1.4
70.97575	2.1
73.02914	1.3
75.04467	1.0
77.74927	1.1
79.05454	3.2
81.03395	2.1
81.07034	2.3
83.04963	4.0
85.02894	23.9
85.34163	1.0
87.04460	20.6
89.46084	1.0
89.77304	1.1
91.03940	1.4
91.05483	3.4
93.07067	1.2
95.04976	2.2
97.02882	26.5
99.04401	1.3
103.05447	2.9
105.07011	4.1
106.50250	1.2
107.04954	34.6
107.08578	1.2
109.02895	1.6
115.03926	33.3
115.05424	2.3
117.07030	1.2
121.10099	1.3
123.04395	1.7
127.03903	2.9
131.02853	1.1
131.08554	1.3
133.04953	31.8
133.06459	1.2
133.10080	1.1
135.08060	12.3
137.05978	8.1
138.06285	1.5
144.06525	1.8
145.04990	2.5
145.06418	1.1
147.04355	2.6
150.07616	4.7
151.03845	1.8
151.07544	1.2
159.08006	1.7
162.07570	1.3
163.07535	39.6
165.05435	1.7
165.09074	1.5
167.07010	9.2
169.04939	1.1
175.05995	1.0
175.07521	1.8
177.05444	1.5
180.07591	1.4
181.08650	1.3
187.07545	3.0
195.10158	100.0
196.10519	1.3
205.08612	1.3
207.10179	5.4
237.11134	4.3
273.11017	1.4
291.12234	1.2
365.06812	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56425	1.1
50.62927	1.2
55.05502	8.6
57.03438	2.5
57.07048	1.4
61.02921	2.5
67.05500	12.0
69.03430	7.5
69.07062	14.4
69.49566	8.7
69.49972	2.4
71.08614	1.3
72.27026	1.3
73.02911	15.4
77.91445	1.3
79.05486	7.1
80.48538	1.1
80.80764	1.1
81.03403	2.7
81.07048	14.4
83.08614	7.2
85.02900	17.7
85.05472	1.1
91.05448	7.7
92.17289	1.2
93.07026	17.8
95.04900	1.8
95.08595	100.0
97.02904	8.8
97.19781	1.2
105.07005	7.7
107.04917	1.7
107.07871	2.0
107.08579	31.1
109.02858	1.8
109.10154	17.1
115.03900	5.3
119.08559	3.0
121.06508	1.5
121.10132	61.3
123.08059	2.0
123.11710	2.6
127.03907	6.3
133.04953	5.5
135.11687	9.0
137.05945	4.3
141.67938	1.3
145.04916	5.9
145.06573	1.4
147.04353	1.7
149.13252	6.0
151.07500	2.2
163.05992	3.3
165.09143	2.4
167.07091	2.6
177.16368	87.8
359.92426	1.3
404.85580	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.04549	0.6
63.16642	0.4
65.03915	0.9
67.05476	1.2
72.98354	0.4
77.03923	0.5
79.05477	2.5
81.07029	1.0
91.05472	16.2
93.07030	1.0
94.04149	1.5
95.04961	3.5
95.08590	1.0
98.20776	0.9
101.97466	0.5
103.05460	3.0
105.07006	2.0
107.04931	4.6
107.08537	0.6
109.06475	1.3
115.05441	1.6
117.07001	0.7
119.04932	12.1
119.08543	0.6
121.06469	1.1
122.03618	3.4
123.08047	0.6
128.06207	8.6
129.07007	0.9
131.04878	2.3
133.06465	1.3
135.04422	0.6
135.08026	0.7
136.05154	1.6
137.05963	55.4
141.06955	0.7
143.04916	0.7
143.08543	25.9
144.05713	0.7
145.06453	3.5
145.10124	1.9
146.07271	0.8
149.05981	1.1
151.07529	58.5
155.06070	0.6
157.06487	1.0
158.07254	0.5
159.04362	0.5
159.08023	1.3
160.05240	0.4
160.08798	1.0
161.05960	1.5
162.06844	0.7
163.07504	3.6
164.08301	1.0
165.05466	1.3
165.09059	3.9
166.91843	0.5
171.08034	28.2
172.08826	4.1
173.05986	3.2
173.09534	0.7
174.06750	1.2
175.07564	3.7
175.11079	0.6
177.09052	1.7
179.07011	0.5
179.08530	0.6
181.08632	0.5
187.07454	0.8
188.08308	24.5
189.09004	1.1
191.10646	0.7
192.09302	0.7
195.08064	1.2
201.09044	0.9
202.07875	0.5
202.09814	1.5
203.10643	67.5
204.10977	1.1
205.06497	0.6
207.11681	0.9
211.07526	0.6
220.08824	0.7
223.07500	1.0
225.09079	1.3
227.10594	0.6
233.09610	0.8
235.07590	0.7
235.11172	1.6
237.09064	0.7
238.09865	1.0
239.10612	1.2
240.07742	0.8
248.08318	0.7
249.09024	0.6
251.07002	1.1
252.11360	0.5
253.08577	1.1
255.10097	2.2
261.08780	0.6
263.10556	2.1
265.08575	1.1
266.09360	1.6
267.10092	1.6
267.13705	1.1
269.08051	1.5
280.10892	1.1
283.09625	11.3
284.10382	0.8
285.14853	1.0
293.11636	1.4
295.13162	3.3
297.11325	0.8
298.11932	9.2
299.05557	0.6
299.12527	0.9
312.13498	1.1
312.18051	0.5
325.14377	2.4
327.15869	100.0
328.16193	1.9
507.23477	3.3
509.12460	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2719
Annotation	Amoritin
Peak:m/z	Relative Intensity
50.61623	3.2
53.03950	3.0
54.20950	2.8
55.05503	13.4
57.03432	11.0
67.05503	54.7
67.35263	3.0
69.07062	15.3
71.52191	3.3
79.05492	21.4
81.03394	3.0
81.07057	37.8
83.08648	5.7
91.05479	17.5
93.07037	24.7
95.04932	4.1
95.08618	32.5
97.10240	3.9
98.98460	71.9
100.86921	3.0
105.07011	6.0
105.98801	3.5
107.08569	16.6
109.10155	19.9
119.08586	9.2
121.10141	9.7
123.11671	5.9
131.08551	6.6
133.10132	9.2
135.11685	8.6
137.05936	4.0
147.11600	4.8
149.13205	5.0
151.07492	8.5
155.01027	7.1
165.09117	6.8
171.15910	3.2
173.02139	12.3
243.20966	5.1
261.22092	8.0
335.25769	100.0
515.52148	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	507.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.2
55.01819	3.8
55.05497	17.5
57.03416	5.5
57.07066	9.5
65.03951	4.5
67.05492	30.9
69.03413	12.6
69.07054	38.2
69.35180	27.9
69.35590	10.5
71.04987	5.0
72.30302	3.8
73.02905	5.6
79.05476	27.1
81.03387	7.1
81.07053	88.1
83.08598	20.9
85.02895	17.8
85.06504	8.6
91.05479	28.1
93.07039	47.7
95.04961	10.4
95.08601	100.0
96.08917	11.5
96.97836	4.0
97.02863	8.6
97.06480	5.6
97.10149	15.2
105.07014	31.0
107.04921	7.5
107.08585	38.0
109.02882	5.8
109.06510	5.1
109.10150	51.0
111.11679	8.1
113.94649	4.8
117.16061	4.1
119.08549	17.8
121.06514	5.7
121.10139	37.4
123.04437	7.9
123.11663	19.1
127.03883	8.8
131.08641	5.5
133.06433	5.9
133.10135	22.4
135.04300	5.5
135.11670	15.8
137.05954	19.4
137.09560	6.0
137.13269	5.8
139.03873	5.6
147.11661	7.6
149.13228	26.9
151.03871	5.6
151.07533	12.4
161.13255	7.7
163.07487	5.1
163.14780	13.0
165.05521	4.7
165.09099	12.6
167.07071	7.0
171.72351	4.3
175.07474	16.0
175.14696	5.2
177.09196	6.2
177.16399	13.5
178.16699	15.1
179.17880	4.5
185.23210	5.2
191.06978	6.1
193.08583	12.5
232.26006	5.1
273.25739	11.8
279.26773	12.0
291.26712	21.2
309.27802	11.2
310.24377	4.3
507.29605	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	507.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52127	1.3
53.03940	2.8
55.05510	15.0
57.03439	1.5
57.07073	18.6
65.03921	1.9
67.05498	50.5
67.41985	1.5
69.07069	14.6
69.35699	14.0
69.88215	1.4
71.08632	11.4
79.05492	17.7
81.03419	3.7
81.07049	45.6
83.04964	2.0
83.08615	16.0
85.10176	6.6
91.05466	14.4
93.07027	23.3
95.04958	2.6
95.08596	26.8
95.09167	1.8
97.06544	4.2
97.10163	6.5
105.07034	9.3
107.04948	1.7
107.08584	14.8
109.10154	24.6
111.08076	4.0
117.07018	6.7
119.08575	4.5
121.10125	11.5
123.11717	4.6
125.09642	3.8
131.08557	3.6
131.58064	1.5
133.10117	10.0
135.07996	1.8
135.11714	6.9
137.13214	2.5
145.10094	3.2
147.11664	1.9
149.13251	10.1
159.11621	7.3
161.13335	2.0
165.28096	1.3
173.11751	3.6
173.13135	2.3
181.74431	1.3
187.14792	1.8
189.11232	2.9
195.13861	6.1
223.58958	1.4
227.12799	4.2
229.14287	10.5
239.23811	3.9
261.22235	7.2
335.25797	6.1
415.32175	1.7
433.32965	2.4
471.35492	1.7
489.35754	13.4
507.27209	100.0
507.40494	41.2
508.27484	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	507.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52127	1.3
53.03940	2.8
55.05510	15.0
57.03439	1.5
57.07073	18.6
65.03921	1.9
67.05498	50.5
67.41985	1.5
69.07069	14.6
69.35699	14.0
69.88215	1.4
71.08632	11.4
79.05492	17.7
81.03419	3.7
81.07049	45.6
83.04964	2.0
83.08615	16.0
85.10176	6.6
91.05466	14.4
93.07027	23.3
95.04958	2.6
95.08596	26.8
95.09167	1.8
97.06544	4.2
97.10163	6.5
105.07034	9.3
107.04948	1.7
107.08584	14.8
109.10154	24.6
111.08076	4.0
117.07018	6.7
119.08575	4.5
121.10125	11.5
123.11717	4.6
125.09642	3.8
131.08557	3.6
131.58064	1.5
133.10117	10.0
135.07996	1.8
135.11714	6.9
137.13214	2.5
145.10094	3.2
147.11664	1.9
149.13251	10.1
159.11621	7.3
161.13335	2.0
165.28096	1.3
173.11751	3.6
173.13135	2.3
181.74431	1.3
187.14792	1.8
189.11232	2.9
195.13861	6.1
223.58958	1.4
227.12799	4.2
229.14287	10.5
239.23811	3.9
261.22235	7.2
335.25797	6.1
415.32175	1.7
433.32965	2.4
471.35492	1.7
489.35754	13.4
507.27209	100.0
507.40494	41.2
508.27484	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	507.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	14.0
57.07072	36.7
60.71867	2.6
63.88480	2.5
67.05177	3.4
67.05504	43.4
69.07057	17.5
69.28844	18.2
69.29249	7.5
71.08624	29.0
79.05482	26.1
80.77301	2.5
81.07046	65.1
83.04988	4.1
83.08613	21.7
85.10181	15.2
91.05468	13.6
93.07040	38.0
95.04933	4.9
95.08595	37.7
97.06521	6.6
97.10176	7.8
99.08009	2.7
103.97269	3.3
105.07017	7.4
107.08607	20.4
109.10165	12.2
111.08066	5.1
117.06981	6.1
121.10158	11.7
121.50608	2.7
123.11693	8.8
131.08540	2.9
133.10077	7.6
135.11674	4.2
149.13242	21.9
159.11732	8.3
177.12779	6.4
195.13869	16.9
197.60065	3.0
239.23700	9.6
265.03076	2.7
271.68298	3.1
331.23978	2.7
414.67117	2.8
474.59125	2.9
507.40424	100.0
508.40793	7.4
521.26642	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	507.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84733	1.3
52.52734	1.4
53.03941	2.0
55.05503	13.6
57.03424	3.6
57.07071	41.7
67.05496	55.0
69.07059	19.8
71.04992	2.9
71.08625	24.3
79.05480	23.3
81.03401	1.5
81.07043	66.2
83.04983	3.1
83.08611	23.4
85.06516	2.6
85.10161	13.1
91.05480	12.9
93.07034	32.1
95.04960	5.4
95.08598	39.3
95.09175	2.6
97.06513	7.2
97.10152	7.3
99.08098	2.0
99.11673	1.3
105.07027	4.7
107.08564	17.5
109.10150	17.2
111.08110	4.1
111.11722	2.0
113.09688	1.5
117.07021	4.0
120.56528	1.4
121.10126	11.7
123.11669	7.4
131.08546	5.3
133.10127	4.0
135.11670	5.5
136.95709	1.4
137.13261	2.2
149.09724	1.5
149.12065	1.5
149.13232	28.4
159.11696	8.9
165.16347	1.4
168.46408	1.5
177.12791	7.1
195.13817	7.2
213.14882	3.1
221.22566	1.7
239.23672	10.7
329.37781	1.6
383.54895	1.4
507.40445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
54.54211	0.8
65.03935	2.3
69.03426	2.8
71.52000	1.4
73.02888	1.1
79.05498	8.7
81.03413	6.7
81.05781	2.3
81.07029	1.2
83.04992	1.2
85.02899	2.8
89.03894	5.2
89.35655	0.8
91.05465	1.1
92.04996	6.1
94.06582	1.1
95.04940	1.4
96.08120	6.1
97.02863	1.4
100.16524	0.9
105.04496	0.9
106.06541	47.6
107.04939	1.3
108.08121	10.0
109.02911	1.2
109.05301	1.4
110.06040	1.0
117.03358	18.5
118.32099	0.7
120.08105	3.7
123.06796	6.7
124.07578	28.5
130.06572	1.0
134.03665	0.9
134.06010	24.3
135.04420	2.7
136.07573	2.7
137.05974	2.5
145.02826	50.4
149.05978	6.8
151.03850	1.7
152.07053	70.7
163.03964	1.4
165.05417	6.3
165.09125	0.9
167.06970	1.1
170.08105	51.2
170.77783	0.8
177.05455	100.0
182.08014	1.1
186.05528	3.1
250.08714	1.0
250.37321	0.7
254.88144	1.0
267.08823	0.9
282.11279	2.0
308.20261	0.8
310.10828	2.4
314.12354	3.3
321.09592	4.2
328.11832	1.7
332.13358	7.9
339.10922	2.5
406.88885	0.9
486.86069	0.9
490.16943	20.1
508.18121	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
53.78456	1.1
55.05504	1.3
57.03440	1.1
60.04530	1.8
65.03919	1.9
67.05492	2.9
69.03416	3.9
69.07065	2.6
69.37896	5.5
69.38332	4.8
73.02893	3.9
74.46288	1.0
79.05485	4.3
81.03419	2.6
81.07050	3.4
82.52813	1.3
85.02928	6.5
91.05470	10.4
93.07026	3.2
94.04167	1.4
95.08600	2.3
97.02896	2.8
98.09673	1.3
103.05453	7.5
103.78966	1.1
105.07021	5.6
105.38741	1.1
107.04995	2.0
107.08579	4.1
109.06494	2.4
109.10144	2.3
114.27224	1.1
115.03902	1.2
115.05455	5.4
117.07005	4.4
119.04922	3.4
119.08585	1.9
120.05686	1.2
121.10210	1.6
122.03622	4.6
123.04416	1.6
123.11668	1.4
123.62344	1.2
127.03910	2.3
129.07002	3.2
131.04913	17.0
133.06447	1.2
135.08035	7.2
135.11728	1.1
137.02167	1.1
137.05962	70.8
138.06352	1.8
143.04878	1.8
145.02757	1.2
147.04362	4.3
147.08035	1.4
148.05037	1.3
149.05943	1.4
151.07487	1.9
153.12711	1.7
157.06438	2.9
161.05960	2.4
162.08994	1.1
163.07526	100.0
164.07889	1.3
165.05496	1.7
165.09142	4.0
175.03870	4.7
175.07556	5.2
177.05373	1.5
177.09047	4.4
179.08582	2.0
187.07463	2.0
189.09096	11.0
196.16936	2.9
207.06541	4.7
207.08241	2.0
208.43182	1.4
214.17903	2.7
219.07971	2.4
227.12619	1.3
235.07486	1.2
236.08162	1.7
239.10701	2.5
251.10999	1.3
257.04446	1.1
273.10269	1.0
279.10034	5.9
296.10385	1.2
299.12827	6.9
311.12836	10.4
313.14291	15.8
339.13538	1.1
367.12906	1.2
376.23492	1.4
461.37967	1.2
508.20706	2.0
508.27264	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	508.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.5
57.03434	4.1
57.06786	5.1
57.07072	100.0
67.05474	2.7
69.03426	26.8
71.05012	3.3
71.52818	3.2
79.05481	4.4
81.03405	41.4
85.02901	38.6
85.06524	21.7
90.55498	2.7
91.05478	3.7
93.07022	4.3
96.36199	2.3
97.02884	27.3
99.04462	6.8
103.07545	12.6
105.07029	3.2
107.04910	3.2
107.08488	2.6
109.02869	17.6
120.60516	2.7
121.06541	6.3
121.10074	2.7
127.03896	33.9
131.04915	4.1
135.11736	2.7
137.05936	11.8
145.04950	16.3
147.04323	2.5
149.05969	4.5
151.03879	22.9
155.20905	2.5
159.04446	3.4
161.05978	4.4
167.07059	30.1
177.05405	13.8
192.06557	8.8
193.08463	4.2
196.09650	6.5
209.08099	10.1
211.07759	2.4
211.09683	6.7
227.09138	13.4
228.20956	2.6
229.10689	45.5
247.11739	58.2
285.17212	3.7
315.12854	3.1
373.27390	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	508.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05642	2.5
57.03418	7.0
58.69969	2.7
58.78583	2.3
63.25921	2.8
67.05497	3.6
69.03428	13.1
69.07059	10.2
69.40047	11.4
69.40475	12.5
71.04965	3.7
73.02897	11.8
79.05485	3.1
81.03406	4.1
81.07038	7.3
85.02895	18.1
87.04470	3.3
91.05481	4.3
93.07045	18.7
95.08588	8.7
97.02861	13.5
97.06524	28.0
105.07047	4.8
107.08582	22.3
109.10159	14.5
110.17648	2.3
115.03927	9.6
121.06522	2.6
121.10138	3.5
123.04402	3.2
127.03918	5.6
133.04944	6.9
135.11676	44.9
137.05980	3.3
138.83925	2.6
142.08684	2.6
145.04959	3.2
153.12740	100.0
171.13792	75.1
176.49483	2.9
177.05429	6.1
179.10683	3.1
188.03667	3.9
192.10094	3.3
295.10168	3.0
365.14478	7.4
434.64774	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53417	1.4
55.50290	1.6
67.68343	1.3
68.95550	1.5
69.82638	9.4
79.05481	4.3
91.05481	12.2
93.07032	2.1
94.04153	3.1
95.04952	2.9
103.05386	2.0
105.07018	4.4
107.04936	5.6
107.08573	1.9
109.06501	2.9
115.05441	3.8
117.06984	2.6
119.04919	8.7
119.08569	2.4
121.06503	5.2
122.03622	7.3
122.43283	1.5
123.08097	2.6
128.06190	3.3
129.07002	7.1
131.04897	5.9
131.08543	2.2
133.06450	2.5
135.07988	5.3
136.05180	2.1
137.05963	100.0
143.04918	3.2
145.06467	3.9
146.03595	1.7
146.07246	2.8
147.04358	4.2
147.08009	2.1
148.05132	1.7
149.05942	4.3
151.03897	25.6
151.05006	1.3
151.07521	35.2
153.05428	2.1
157.06448	4.2
160.05193	2.1
161.05968	44.3
161.09576	6.8
162.06711	1.7
163.07544	9.2
165.06970	2.5
165.09074	5.2
167.07025	2.8
169.04906	3.0
174.06723	3.5
175.03981	2.0
175.07541	24.6
177.05396	1.9
177.09065	5.3
187.07359	1.9
189.07272	2.5
189.09090	27.7
193.06490	1.5
194.07228	1.8
195.08235	3.1
195.10149	20.8
205.06422	3.5
206.07231	2.1
207.06516	2.2
207.10130	25.7
209.05994	1.9
210.06802	2.1
219.07973	4.2
221.05908	2.7
222.06720	2.1
223.07428	2.1
224.08374	1.6
225.09126	3.3
233.05949	2.3
235.07437	3.4
237.09100	4.7
247.07513	2.1
249.09006	4.6
251.06900	2.3
251.10780	3.1
253.08598	5.7
261.09103	2.1
265.08508	10.6
266.09534	2.0
266.18307	1.6
267.10089	2.6
270.08908	3.6
277.08560	9.4
277.12012	1.8
279.10126	4.8
281.08047	2.7
283.09561	2.8
285.11282	8.4
293.11526	1.9
295.09637	3.2
296.10379	1.8
297.11206	18.0
299.13028	3.6
305.11694	3.0
308.10385	1.6
309.11121	3.9
311.12750	15.9
317.13773	4.9
323.12939	7.4
337.14276	12.5
341.13632	2.4
349.14182	3.3
355.15472	14.6
355.94806	1.9
357.10669	2.2
367.15402	5.7
372.13458	1.9
435.17883	2.0
445.16217	1.6
449.75949	1.7
461.19196	3.4
465.18835	1.8
479.20380	5.3
491.20038	3.3
509.21646	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	509.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.0
59.21613	1.7
68.29382	1.4
69.07057	5.9
69.82493	3.5
69.82885	4.6
73.94070	1.7
77.03922	1.7
79.05492	5.4
81.07050	4.6
81.15984	1.4
89.03881	2.1
91.05471	14.6
93.07027	2.3
94.04189	2.4
97.18802	1.6
98.21415	2.3
103.05469	2.7
105.07021	7.2
107.04941	6.9
107.08579	3.3
109.06455	3.0
111.04399	2.2
115.05479	3.9
117.07004	3.1
119.04951	7.7
119.08528	1.5
120.73499	1.4
121.06506	5.8
121.10123	1.8
122.03612	4.8
123.04355	1.6
123.08112	2.3
128.06227	3.5
129.06963	9.0
131.04916	7.6
131.08569	4.6
133.06485	2.4
133.10118	1.5
135.07994	1.6
136.05190	2.2
136.96393	1.9
137.05963	75.0
145.02890	4.3
145.06490	5.5
146.03697	3.5
146.07236	4.4
147.04384	3.9
147.08127	1.9
148.05223	4.4
149.05997	3.8
149.09541	2.1
151.03842	2.9
151.07512	31.5
153.12703	4.6
157.06473	3.0
161.05972	100.0
161.09613	24.0
163.07535	6.0
165.05591	2.5
165.06982	3.6
165.09096	3.5
167.07005	1.8
173.05965	2.2
174.06786	4.6
175.00520	1.5
175.07562	20.3
177.05466	9.2
177.09073	4.4
189.07314	1.5
189.09084	47.6
191.06976	2.0
194.07356	3.4
195.10159	18.1
205.06519	2.5
207.10147	61.3
210.06688	2.8
219.08092	1.8
221.05904	2.4
222.06781	2.2
234.06680	1.7
235.07504	1.9
237.09068	3.8
239.10703	3.4
243.96277	1.6
249.09085	6.3
251.06926	1.7
252.07777	1.9
253.08537	2.5
255.06607	1.7
261.08978	1.9
265.08578	6.7
267.10184	2.1
270.08850	1.9
277.08521	4.6
279.10028	4.1
283.09668	5.9
285.11258	7.6
291.10083	3.2
295.09668	3.1
297.11301	12.9
299.12714	3.9
309.11179	3.9
311.12756	12.4
317.13763	3.9
323.12714	6.3
337.14435	11.7
341.14102	1.9
343.15469	2.0
349.14279	3.1
355.15417	10.0
367.15305	5.5
403.15186	2.1
435.17783	1.8
479.20581	7.0
491.21304	2.0
509.21796	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	509.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50631	4.9
55.05510	30.9
57.03402	7.6
57.07074	13.0
57.15860	5.2
59.37635	5.9
65.03957	6.3
67.05511	39.5
69.03421	13.2
69.07065	67.9
71.04205	8.5
71.04536	7.7
71.04981	9.0
71.08613	8.6
76.35233	5.9
79.05482	28.4
81.03403	14.3
81.07055	100.0
83.04953	7.2
83.08614	31.8
85.02912	12.5
85.06532	12.8
88.33868	5.2
91.05471	22.6
93.07047	29.0
95.04944	16.6
95.08605	74.7
97.02876	11.1
97.06522	7.4
97.10167	28.1
99.04446	7.1
99.08048	11.8
105.07009	19.4
107.04952	9.6
107.08628	28.7
109.06520	7.1
109.10159	52.6
111.11710	18.0
119.08561	12.1
121.10139	14.9
123.04424	11.2
123.11698	38.2
125.09586	8.9
125.13205	8.4
126.66165	6.3
127.03888	8.7
131.08580	9.3
133.10114	11.7
135.11734	16.1
137.05960	24.1
137.13258	11.4
139.03976	9.8
145.06432	8.0
145.10100	8.5
147.04428	7.2
147.11659	9.5
149.05923	7.7
149.09627	7.3
149.13237	23.8
151.03970	6.6
151.07498	13.8
151.11188	9.4
163.14859	7.0
165.09097	6.7
167.07016	11.0
181.04970	9.5
193.19545	6.5
203.29741	6.3
219.20921	6.8
275.27158	8.0
293.28366	45.8
303.08777	8.7
311.29419	46.2
319.47089	6.6
398.50919	7.0
510.21326	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	509.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.1
55.01864	8.4
55.05506	36.1
57.03425	9.0
57.07053	5.9
65.03934	4.8
65.49816	3.3
67.05189	3.0
67.05505	41.0
69.03418	16.8
69.07065	22.9
69.57890	2.7
71.01314	7.2
71.04972	7.0
71.08633	3.1
71.52242	3.3
71.52660	6.1
73.02892	4.5
77.03904	3.7
79.05481	34.6
81.03403	43.3
81.07050	62.1
82.08208	4.0
83.04955	11.6
83.08603	16.7
85.02896	28.1
85.06527	7.4
91.05470	50.3
93.07035	36.7
94.04143	5.1
95.04952	26.0
95.08601	42.0
97.02881	12.7
97.06512	7.7
97.10150	10.9
99.04429	4.1
99.08044	4.7
103.05493	4.2
105.03403	4.8
105.07024	44.4
107.04942	15.4
107.08579	24.7
109.02859	12.9
109.06508	18.5
109.10143	41.3
111.04405	8.7
111.08051	7.6
115.05432	8.5
117.07004	8.9
119.04911	18.9
119.08592	17.6
121.02967	3.6
121.06480	12.1
121.10123	21.0
122.03597	8.0
123.04413	15.0
123.08072	12.3
123.11714	10.1
124.93605	3.3
125.09629	6.6
125.13291	4.5
127.03925	7.6
129.06963	8.9
131.04974	5.2
131.08568	14.1
133.06494	8.3
133.10107	34.8
135.04431	17.7
135.08047	9.3
135.11662	9.1
137.05969	100.0
137.09613	4.6
137.13220	5.7
138.06314	4.0
145.02853	4.6
145.06462	4.7
145.10101	7.6
147.04416	23.0
147.07996	6.4
147.11687	12.2
149.02345	3.5
149.05997	5.4
149.09599	17.7
149.13258	7.3
151.03909	13.5
151.07510	39.3
151.11147	11.3
157.10104	7.6
161.05962	19.5
161.09654	10.1
163.03845	5.2
163.07614	6.3
163.11151	4.7
165.05487	5.6
165.06953	4.2
165.09087	8.5
165.12740	5.0
167.07030	57.2
167.10631	6.1
175.03882	5.6
175.07520	10.4
175.11134	10.5
177.05489	29.5
177.09140	5.4
179.07031	4.6
181.04886	9.8
181.08670	4.3
181.10083	7.9
185.05911	3.6
189.09058	12.7
191.07079	4.3
191.10788	3.8
193.12245	37.7
195.10191	18.2
201.05751	4.8
207.06433	5.8
207.09996	6.4
211.13283	41.6
221.05969	5.1
225.11150	6.0
233.08028	8.1
236.96187	3.5
250.09686	3.9
265.08652	10.9
267.10083	5.1
278.08957	4.1
283.09531	5.8
285.11288	12.0
293.28244	6.7
295.09430	5.4
297.11169	14.7
307.11731	4.2
309.11081	6.6
311.12561	4.4
313.10782	4.6
331.11707	13.8
479.20154	4.0
491.18784	5.9
509.20465	9.3
509.27676	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
55.01865	6.8
55.05500	20.4
57.07066	45.6
59.30170	2.6
67.05499	74.0
69.07066	25.5
71.04982	5.4
71.08274	4.3
71.08631	37.0
79.05488	19.0
79.99574	3.2
81.07048	64.2
83.04980	6.5
83.08604	15.5
85.06522	10.4
85.10186	19.9
91.05466	37.4
93.07023	18.6
95.04953	4.9
95.08597	35.2
97.06499	4.9
97.10138	7.8
99.04472	3.7
105.07027	45.1
107.08575	40.8
108.40839	3.1
109.06498	8.1
109.10150	85.6
123.11712	13.4
127.07533	5.7
133.08603	4.5
133.10110	91.4
151.11172	63.6
169.12215	16.1
179.10748	4.5
215.12811	6.9
239.23726	6.1
253.14316	64.1
316.17734	3.2
395.93597	3.2
509.38324	100.0
510.38635	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	510.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10293	1.8
50.31245	1.7
50.74637	1.7
53.76787	2.0
54.30939	2.0
55.05503	2.7
57.03432	2.1
57.86127	1.9
65.73327	1.7
67.05491	4.8
67.23238	2.1
69.03421	5.4
71.53197	3.7
72.52274	1.8
79.05489	5.0
81.03398	5.5
81.07042	6.1
85.02902	5.5
86.09718	3.4
91.05473	9.4
93.07018	4.7
95.04961	4.0
95.08603	3.8
97.02892	2.6
97.06522	2.9
104.10761	3.7
105.07014	4.6
107.08566	2.8
109.02866	1.9
109.06508	10.9
109.10181	4.7
119.04932	15.0
119.08619	3.0
121.10156	2.3
127.03924	2.5
133.04979	1.8
133.10127	3.0
135.04416	44.5
137.05989	12.5
139.03877	2.1
139.45491	2.4
147.04410	43.6
148.40366	1.9
149.09596	3.0
151.03844	2.7
155.07042	7.9
165.09105	2.2
167.07024	100.0
167.10695	3.0
177.05475	43.0
178.05832	2.2
181.10112	6.9
184.07320	3.4
191.07071	2.5
191.48738	2.2
194.14560	2.0
194.32848	1.9
214.11931	2.1
223.08287	2.0
224.58206	2.1
251.11673	2.4
263.11749	6.1
265.13367	5.7
279.11194	3.9
297.12378	3.0
309.12399	10.4
310.13058	2.3
313.10367	3.2
331.11731	29.1
337.11896	15.5
338.12372	5.4
369.14365	6.1
445.16855	2.1
478.19656	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97904	2.0
57.03425	4.1
65.21379	2.2
71.53307	2.1
73.02895	3.8
79.05474	3.0
81.25302	1.9
91.05450	3.7
93.07017	2.6
95.04972	2.0
95.08578	2.0
97.02870	2.2
99.08139	3.0
102.15978	1.8
103.05447	8.1
105.07009	2.2
119.04889	2.7
121.10072	2.0
131.04922	13.8
135.08005	1.9
137.05946	23.0
145.02820	2.0
147.04430	2.0
149.09586	2.5
151.03929	3.2
151.07547	14.3
161.05840	2.3
162.06711	3.7
163.07523	40.3
164.01630	2.8
167.07156	2.5
175.07541	4.2
177.09090	100.0
189.09146	3.9
195.10088	2.2
221.11655	14.5
227.10556	2.6
287.12750	4.4
313.14249	3.7
331.15372	15.3
348.26941	1.9
444.47568	1.9
453.62836	2.2
511.17557	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	510.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96992	1.5
57.18164	1.3
58.35993	1.5
66.95686	1.3
68.86782	1.4
69.03383	1.7
69.86433	3.4
69.86842	5.8
73.02901	12.9
74.12473	1.5
75.54093	1.6
76.18115	1.5
79.44496	1.5
81.68530	1.5
85.02874	3.0
87.02134	1.5
90.45419	1.7
91.05460	5.1
95.04990	2.4
97.02891	1.7
103.05457	8.4
107.08575	2.3
109.06414	1.7
115.05480	1.9
117.07010	2.1
119.04945	3.3
121.06461	1.8
122.03640	1.8
131.04916	18.0
135.08020	1.9
137.05960	28.5
149.02339	1.8
151.07530	13.4
157.06456	1.9
159.98891	1.5
161.06024	2.9
162.06767	1.7
163.07527	42.3
167.07137	1.8
175.07510	4.2
177.09081	100.0
189.09099	2.2
195.08089	2.5
195.10130	3.8
221.09657	2.8
221.11674	13.8
227.10663	3.7
253.12360	2.1
255.10104	2.5
285.11258	2.7
287.12744	3.8
311.12680	3.0
313.14429	5.0
321.29718	1.8
324.87704	1.9
331.15332	18.5
337.89972	1.7
343.15356	4.1
505.98019	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97904	2.0
57.03425	4.1
65.21379	2.2
71.53307	2.1
73.02895	3.8
79.05474	3.0
81.25302	1.9
91.05450	3.7
93.07017	2.6
95.04972	2.0
95.08578	2.0
97.02870	2.2
99.08139	3.0
102.15978	1.8
103.05447	8.1
105.07009	2.2
119.04889	2.7
121.10072	2.0
131.04922	13.8
135.08005	1.9
137.05946	23.0
145.02820	2.0
147.04430	2.0
149.09586	2.5
151.03929	3.2
151.07547	14.3
161.05840	2.3
162.06711	3.7
163.07523	40.3
164.01630	2.8
167.07156	2.5
175.07541	4.2
177.09090	100.0
189.09146	3.9
195.10088	2.2
221.11655	14.5
227.10556	2.6
287.12750	4.4
313.14249	3.7
331.15372	15.3
348.26941	1.9
444.47568	1.9
453.62836	2.2
511.17557	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	510.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.4
55.05500	4.2
62.06084	7.6
67.05504	5.4
69.03407	2.0
69.07061	6.1
71.04993	1.9
71.53101	2.0
79.05490	5.8
81.03392	2.8
81.07049	20.8
83.04969	4.2
83.08597	3.0
85.02896	1.7
85.06501	1.3
89.16618	1.0
91.05460	6.2
93.07033	6.7
95.04972	2.5
95.08585	8.9
97.06500	2.7
98.98449	2.0
105.07008	5.0
107.04897	1.3
107.08559	4.7
109.02850	1.3
109.06491	10.2
109.10161	3.7
111.04436	15.8
111.11758	1.2
119.08537	3.6
121.06474	1.9
121.10140	6.3
123.04414	1.3
123.08099	1.3
123.11675	2.3
125.05967	4.1
131.08536	2.6
133.04860	1.2
133.10100	5.6
135.04364	1.2
135.08047	3.6
135.11670	4.7
137.05962	100.0
137.09546	1.7
137.13228	3.5
138.06293	1.2
139.07562	1.2
141.05447	1.6
142.02551	1.5
143.08514	1.3
145.10080	1.5
147.04385	3.0
147.11650	6.0
149.09592	2.4
151.03871	1.3
151.07521	3.9
157.10051	2.6
161.09621	6.4
161.13234	2.7
163.07576	1.2
163.11121	2.7
163.14792	1.4
165.09081	2.8
167.07010	2.1
167.10651	1.4
171.11592	1.7
175.11177	5.0
175.66127	1.1
177.05452	2.4
179.03288	1.3
179.10663	2.3
181.10097	4.1
189.12724	1.8
190.08507	1.0
193.12309	2.0
198.05240	1.3
203.17897	7.4
213.16405	2.5
216.06351	2.6
221.18878	1.5
231.17403	8.2
249.18472	7.2
273.98444	1.2
277.17963	61.8
278.18265	1.9
295.19040	16.5
320.22171	7.9
322.22781	1.4
328.95703	1.1
337.12003	1.5
351.21643	61.0
352.21921	1.8
369.22614	4.7
394.25433	1.2
431.18250	49.5
432.18930	2.5
449.18900	1.9
469.43890	1.1
474.22403	12.5
492.23505	19.4
510.24969	2.6
531.13037	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.8
56.05016	1.2
57.03430	0.6
57.07065	3.8
58.06590	1.7
60.08157	15.9
64.38619	0.4
66.16010	0.4
67.05479	0.5
69.07046	0.8
71.07368	6.4
71.08613	1.6
71.52486	0.5
77.93365	0.4
81.07039	1.8
85.10172	1.1
86.09695	49.6
87.43008	0.4
91.05484	0.9
91.83107	0.4
95.08593	1.4
98.98442	4.4
104.10728	100.0
109.10211	0.8
116.06204	0.6
124.99986	29.2
129.06976	0.7
135.08051	0.8
144.05705	0.7
145.06494	1.4
159.08041	1.8
163.01590	0.6
163.07523	1.4
177.09070	1.2
178.09833	0.9
184.07317	96.3
187.07532	14.4
188.08305	2.0
189.08980	0.8
215.10672	0.9
226.35048	0.4
233.08060	20.6
233.10414	1.0
234.08388	0.8
243.10060	0.6
258.10989	1.3
300.45065	0.4
327.28906	1.5
365.48044	0.4
409.16397	3.2
427.17422	11.5
427.23035	0.7
428.17764	1.3
433.26785	0.5
492.34427	9.0
510.35495	29.7
511.35852	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64617	5.2
69.07056	15.7
71.52618	7.7
79.05492	8.4
81.07045	14.1
91.05469	9.3
95.08572	7.4
98.21354	5.6
100.29774	4.6
105.07011	12.8
107.08676	5.8
109.10168	8.0
119.08543	5.5
121.06502	25.6
133.06477	6.3
135.08020	15.4
145.06424	5.9
147.04443	6.2
149.05948	43.3
150.06769	22.2
151.07512	29.2
159.07941	5.1
162.05663	5.4
162.06779	30.1
163.07542	8.9
165.05490	12.9
165.09082	76.7
172.08875	9.8
173.04404	5.0
174.10406	5.6
177.05444	22.4
177.09048	8.0
187.07568	11.9
189.09100	23.3
191.10693	15.7
193.08585	100.0
195.06505	8.7
195.10143	12.6
203.10719	12.9
205.12228	11.3
215.10574	25.0
217.08659	5.6
217.12218	9.1
219.13699	13.1
231.13779	10.2
233.08102	55.9
234.08421	33.0
243.10161	5.5
245.15250	6.1
299.09024	7.4
301.17743	6.4
383.14819	8.9
428.17654	9.5
451.20169	8.3
451.25241	7.2
475.24426	7.3
511.17639	8.5
511.26758	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
55.05514	8.3
67.05470	15.8
69.07063	11.0
71.53154	7.1
79.05476	11.1
81.07032	16.5
91.05486	12.1
95.08649	6.2
105.07005	12.5
107.08549	7.6
109.10121	20.5
111.11649	5.8
121.06476	22.7
123.11690	15.6
133.06490	8.6
134.07185	6.4
135.08046	10.9
142.75481	5.5
149.05980	32.8
150.06714	11.0
151.07547	8.3
161.05939	12.2
161.09602	7.9
163.07480	17.9
165.05470	22.6
165.09099	100.0
175.07478	12.0
177.05438	18.3
177.09102	13.9
189.09114	37.3
193.08586	15.1
195.06355	7.8
201.09109	7.5
205.08595	7.5
215.10651	5.4
217.08543	20.0
235.09654	12.5
271.16821	31.5
273.18430	11.1
276.58310	5.6
299.16406	7.5
306.94424	5.3
311.12582	6.1
317.17447	11.4
327.19495	12.7
341.13702	7.1
369.13507	7.9
465.26123	6.9
475.24396	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	511.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46620	2.5
53.03936	8.2
55.01863	35.4
55.05504	60.0
56.93735	2.5
57.03204	2.3
57.03437	20.4
57.07065	16.0
60.20464	2.8
61.02916	2.8
64.10304	2.4
65.03923	5.9
67.05128	4.1
67.05497	79.9
69.03413	14.3
69.07069	26.8
71.01337	3.8
71.04975	10.5
71.52535	3.5
71.52927	2.6
73.02908	8.5
79.05013	3.2
79.05487	81.5
81.03410	100.0
81.06586	5.0
81.07047	81.9
82.04186	9.2
82.98109	2.7
83.04972	45.6
83.08617	39.6
84.02144	2.8
85.02892	37.1
85.06523	4.9
91.05469	73.2
93.07030	53.1
94.07810	2.8
95.04956	59.2
95.08588	28.2
97.02881	8.4
97.06513	21.3
97.10156	18.3
98.07307	11.3
99.04487	2.8
99.08057	3.7
105.07020	54.5
107.04939	18.5
107.08589	27.0
108.16704	2.8
108.19067	2.6
109.06518	13.2
109.10130	24.2
111.04440	9.1
111.08084	27.3
113.05984	5.4
115.03925	3.6
115.05444	5.2
116.04723	5.2
116.06255	4.3
117.07004	11.7
119.08576	40.9
121.06507	11.1
121.10130	23.9
123.04402	4.0
123.08019	14.1
123.11722	5.5
125.05946	5.1
125.09621	19.4
127.11166	6.1
129.05475	6.6
129.06989	21.2
130.54790	2.6
131.08525	22.5
133.06487	4.3
133.10123	25.2
135.08054	7.6
135.11705	6.6
136.08859	3.2
137.05949	9.3
137.09627	6.4
142.07686	3.6
145.10141	7.3
147.08057	8.0
147.11668	30.8
149.05925	2.9
149.09576	14.7
149.13318	2.9
151.07671	2.9
151.11203	3.5
153.09015	3.6
157.10104	27.0
158.05740	12.7
159.11708	4.0
163.11198	6.6
165.12730	7.5
167.07016	8.2
171.06529	16.5
173.11780	3.7
175.11186	26.5
181.12221	4.7
185.08144	4.8
190.04745	4.0
191.10680	3.2
193.12225	85.3
195.10168	3.7
199.09647	9.1
199.13333	7.6
201.14896	3.4
209.11748	6.4
210.12404	2.9
211.13271	84.9
227.12672	16.1
241.14449	4.3
242.15155	2.9
255.15952	10.5
267.15909	10.9
269.17230	4.3
283.15353	4.6
285.16986	11.1
298.17770	5.2
311.18823	5.4
311.22171	7.4
321.16864	2.7
326.24509	4.5
339.17972	13.5
339.21667	6.4
367.21097	8.4
382.27051	6.0
409.25729	5.8
439.26807	11.9
456.32916	2.7
465.28668	3.6
493.27756	9.3
494.28625	5.7
511.29401	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38066	1.2
55.05497	2.5
57.07067	11.9
67.05495	2.7
69.03428	1.8
69.07074	6.9
70.06582	6.9
70.44156	4.6
71.08624	6.0
73.02911	1.2
79.05483	4.3
81.07044	23.7
83.08601	2.0
85.10163	5.8
86.66152	1.2
88.07607	7.8
89.06030	8.9
89.06484	1.2
90.14933	1.1
91.05495	2.2
95.08611	8.0
98.21429	1.5
98.48457	1.1
101.15577	1.1
102.09168	6.4
105.03375	2.0
109.10176	1.4
111.11736	2.3
111.70238	1.1
113.13861	1.3
115.68267	1.3
117.07004	2.7
133.02855	10.9
133.08614	5.2
137.05939	1.8
137.13202	2.3
138.06721	1.4
145.06464	18.2
151.07573	5.3
153.19154	1.4
161.05940	12.8
165.05452	2.7
173.05968	46.7
174.06682	1.9
175.07544	6.6
177.11244	2.8
187.07538	4.2
189.09077	3.0
195.07939	1.7
199.07478	1.7
201.05426	22.6
202.09882	2.5
209.09656	2.1
211.07614	1.6
212.08160	1.3
213.09061	6.6
215.07094	4.3
215.10724	5.2
219.06505	38.4
219.08534	2.4
221.08072	3.8
223.11159	1.6
225.09021	2.9
227.10641	2.7
228.23279	2.0
229.12331	1.8
233.08061	78.1
237.09184	3.4
238.09917	3.3
239.10703	2.4
241.08621	2.9
241.12167	2.7
247.09647	7.3
249.09087	1.7
250.09811	1.6
251.10811	3.0
252.11443	6.8
253.08725	4.2
254.09380	4.7
256.26361	17.6
259.09521	2.0
262.09927	2.5
265.08545	9.7
268.10910	7.4
269.08182	2.2
269.11661	5.0
273.11130	6.8
274.27484	1.6
275.12738	2.5
278.09326	1.6
279.10223	5.1
280.10938	18.8
281.08090	2.3
283.10251	1.5
283.13397	5.7
283.26294	19.7
287.12555	1.8
293.11670	7.6
296.10361	8.2
297.18472	14.9
311.12753	100.0
311.29471	2.3
312.13168	3.1
327.11209	1.4
327.20270	2.9
351.16089	3.3
357.20593	5.0
371.14853	46.9
402.06903	1.5
411.18082	2.6
435.25333	34.7
512.50372	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	10.3
61.56155	1.8
65.68900	1.8
67.05494	4.3
69.07071	5.2
69.52396	8.6
69.52814	6.0
70.06578	6.4
71.08633	4.5
79.05523	2.3
81.07039	12.2
88.07618	10.5
89.06034	27.1
91.05477	2.6
95.08611	5.3
97.10183	2.2
102.09160	6.2
109.10159	2.4
121.06465	2.6
123.11723	2.5
129.07031	3.2
133.08595	21.9
135.07994	2.1
137.13257	2.2
144.05708	4.6
149.06035	4.4
151.07423	2.3
159.08047	28.4
168.32283	2.0
175.07524	2.4
177.11223	5.7
187.07526	49.1
189.09116	8.8
193.08505	2.3
195.06355	2.4
201.09064	2.7
207.36772	1.9
215.07019	24.4
229.08592	2.9
229.12239	3.3
233.08063	100.0
239.10706	2.0
247.09723	2.9
256.26273	23.4
256.35297	2.0
267.10229	3.1
279.10172	6.6
282.12457	3.6
283.26361	21.7
293.11639	3.6
294.12674	11.3
295.09808	3.8
295.12982	2.3
297.14487	2.0
310.11926	1.9
311.19968	12.9
311.29736	2.1
325.14316	45.1
327.20093	11.7
345.33896	2.1
449.26828	32.7
512.38647	3.1
512.50317	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07158	1.2
56.96552	10.9
58.41946	1.1
60.04198	1.1
61.02903	1.5
66.25554	1.1
69.03426	2.9
69.83630	7.8
72.95901	1.3
76.00018	1.3
81.03397	1.3
84.96007	1.5
85.02877	5.1
91.03958	1.2
97.02878	5.5
98.21464	1.6
98.97575	21.0
100.99137	3.2
101.00867	4.3
103.02470	1.3
110.97564	6.9
112.99110	5.5
115.00661	1.4
115.02457	6.2
116.98635	9.6
119.00145	1.5
119.01925	8.6
127.02431	1.9
127.03923	2.3
128.98592	4.7
131.00169	5.5
131.01920	8.3
133.03458	29.8
137.05983	2.2
141.03932	2.4
143.00121	2.5
143.01909	5.9
145.01712	4.4
145.03496	6.2
146.99603	2.7
147.03288	1.9
147.05096	7.8
149.01215	2.2
151.04454	3.9
155.01923	12.3
157.03464	7.2
158.99637	5.1
159.03262	3.0
159.05025	15.6
161.01160	1.9
161.02960	7.5
163.02773	10.7
163.04396	1.7
165.06020	1.4
167.05611	1.5
169.03386	3.0
170.99596	2.4
171.05038	12.1
173.02910	12.5
173.06557	1.7
175.02939	1.4
175.04532	4.6
177.00764	3.1
177.04324	5.0
177.06073	8.6
178.04857	2.7
179.01900	2.4
181.03802	3.8
183.05031	6.9
185.02917	3.8
185.06607	4.9
187.02733	2.9
187.04495	2.8
189.00726	2.6
189.06064	4.0
193.03546	2.3
195.05255	2.3
195.07124	3.1
197.02960	7.9
197.06651	2.6
199.04489	2.8
201.00650	2.0
201.04295	3.7
201.06079	6.5
203.04068	5.3
203.07616	2.6
205.01945	1.7
205.03835	3.7
211.04611	3.6
213.06113	2.6
218.06274	1.4
219.01758	14.2
219.05089	1.9
219.07133	25.7
221.05042	16.1
223.05034	1.5
225.06178	3.4
231.07137	26.8
233.08705	5.5
237.02802	22.2
245.05069	23.9
245.08749	4.1
250.06912	1.4
255.04546	1.9
255.07086	10.6
256.07367	1.3
259.06711	2.2
261.08282	2.5
273.08234	7.3
291.09253	5.8
293.05444	2.0
295.06967	1.4
305.10776	2.9
307.07007	12.0
307.10693	3.6
309.10367	2.1
321.10373	100.0
322.10629	2.2
325.08008	10.7
325.11356	2.2
337.08252	3.8
339.11523	12.9
351.07315	1.8
353.07715	2.1
355.09137	2.6
367.09167	4.1
383.08478	2.1
477.10574	7.0
481.08606	3.6
495.11673	23.5
513.12817	52.7
514.13269	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.9
57.03438	4.5
57.07060	3.5
67.05492	19.6
69.07054	19.7
71.19917	6.2
79.05480	7.1
81.07042	12.1
83.08599	4.3
88.07605	3.8
89.24384	3.1
90.68070	3.1
91.05466	7.6
93.07051	6.8
95.08592	4.2
105.07018	11.3
107.08572	4.3
109.10151	100.0
119.08501	3.2
121.06482	36.7
127.11192	49.6
133.06468	5.5
135.08061	20.1
137.05968	4.9
145.10118	6.5
149.05974	52.5
150.06737	10.5
150.82994	3.6
151.07516	18.7
157.10014	3.6
160.08867	4.1
163.07516	17.0
165.09106	62.7
167.07016	5.5
169.10164	3.9
175.07462	6.2
177.05449	45.9
177.09056	6.2
179.10706	4.5
188.08325	3.6
189.09132	7.8
190.09880	4.5
191.07059	6.2
191.10657	14.9
193.08563	11.6
195.06587	19.4
195.10135	42.1
203.10623	11.6
205.12193	8.6
217.12256	7.8
219.13788	6.4
229.12193	5.0
231.13712	6.2
245.15402	8.3
273.18405	5.6
283.26324	9.2
358.17740	3.4
381.11697	3.4
407.18604	3.9
410.17313	3.7
451.24689	5.3
477.26291	9.5
489.70364	4.1
512.50177	5.3
513.35864	18.6
513.50494	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	513.3054
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
51.90295	2.3
52.33989	2.4
55.05499	10.0
57.03426	5.9
61.02913	14.5
63.42133	2.6
65.10956	2.2
67.05496	26.6
69.03411	6.4
69.07063	12.9
69.25195	2.1
70.09055	11.6
73.02919	3.6
79.05479	33.0
81.03401	6.9
81.07051	30.6
83.08596	5.8
85.02882	12.2
91.03930	6.8
91.05470	22.9
93.07034	43.3
95.04946	5.5
95.08601	21.3
97.02885	9.6
97.06487	3.3
97.10136	3.3
105.07015	30.2
107.08583	25.9
109.10141	8.5
117.07006	8.2
119.07799	3.1
119.08585	26.8
121.10126	21.4
128.06189	2.7
129.07013	5.1
130.48999	2.2
131.08559	17.1
133.10121	25.1
135.11661	25.5
143.08548	6.6
145.10103	14.8
147.11711	26.0
149.09552	2.7
149.13231	14.1
155.08514	2.6
157.10138	5.5
159.11673	12.3
161.09630	2.8
161.13219	20.1
163.14792	6.8
171.11694	9.3
173.13219	9.7
175.14781	8.5
185.13255	5.5
187.14865	2.6
199.14655	3.9
231.21071	5.2
241.19453	16.4
259.20551	43.9
277.21530	7.0
333.24136	8.3
349.23578	4.0
351.25250	100.0
352.25690	4.2
354.23618	2.6
363.10159	3.3
363.25381	2.7
385.23969	2.7
429.26230	3.6
441.26166	3.4
459.27112	3.8
477.28305	4.7
495.29605	6.1
517.86548	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	513.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.9
55.05496	18.4
57.03435	7.0
57.07069	4.9
61.02625	4.1
61.02906	20.8
62.34485	3.6
67.05502	36.7
69.07049	12.9
71.04983	8.4
71.53338	6.2
73.02901	5.7
77.41924	4.1
78.05717	3.6
79.05483	38.5
80.30144	3.6
81.03386	10.1
81.07050	48.4
83.04965	7.3
83.08578	6.6
85.02880	12.2
91.03932	8.4
91.05470	39.4
93.07027	41.7
95.04969	6.6
95.08613	25.5
97.02882	13.2
97.06474	5.0
97.10150	4.4
105.07028	42.2
105.68439	3.7
107.04961	5.2
107.08586	33.4
109.10137	21.6
117.07002	15.6
119.08575	37.3
121.09226	3.6
121.10107	25.0
125.09647	6.1
127.03910	7.8
129.06990	6.1
131.08531	16.1
133.10118	28.0
135.08127	4.0
135.11687	23.5
143.08528	10.0
145.10123	16.1
147.11702	30.9
149.13196	11.0
151.07507	5.3
157.10094	5.8
159.11671	13.7
161.09541	5.7
161.13184	23.5
163.11140	5.5
163.57887	4.5
171.11687	11.9
173.13211	11.6
175.14803	12.6
185.13318	8.0
187.14778	5.9
199.14749	4.1
231.21063	7.0
241.19484	19.3
259.20535	47.7
273.72235	4.7
277.21399	4.2
307.29474	4.7
324.79663	4.4
328.67169	4.4
333.24121	5.3
351.25241	100.0
375.25201	4.6
441.26221	6.3
454.83737	4.4
459.27429	6.3
477.29056	7.8
495.29736	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.9
54.46968	2.7
55.05503	9.3
57.03428	6.6
61.02916	15.9
67.05244	2.2
67.05498	26.3
69.03407	7.6
69.07053	11.6
70.48341	5.4
70.48704	5.8
73.02901	5.0
79.05492	34.1
81.03396	9.7
81.07047	35.9
81.74248	2.8
81.85842	2.3
83.04958	4.8
83.08605	4.5
85.02900	16.0
85.06497	3.7
89.26072	2.8
91.03965	6.4
91.05474	26.2
93.07034	43.2
95.04939	4.7
95.08598	24.2
97.02888	9.0
97.06519	6.6
97.10190	3.0
99.04380	2.6
100.18443	2.6
105.07023	27.8
107.05012	3.2
107.08587	32.9
109.06521	4.3
109.10159	13.0
117.06987	8.7
119.08568	30.3
121.10140	24.6
123.11731	4.4
127.03883	5.1
129.06996	6.3
131.08522	14.4
133.10118	29.6
135.11705	22.7
137.09537	4.0
143.08554	6.1
145.10139	21.2
147.11700	26.3
149.13213	14.4
151.07555	3.9
157.10127	8.8
159.11757	12.6
161.09608	8.1
161.13243	20.6
163.14763	8.2
171.11707	9.1
173.13258	9.3
175.14796	9.9
177.12787	3.9
185.13258	8.6
187.14790	3.0
199.14825	2.8
227.95778	2.7
241.19489	22.8
259.20566	44.8
277.21643	6.6
281.07947	2.5
301.21692	3.2
311.12219	2.8
333.24130	8.6
349.23743	6.1
351.25272	100.0
367.22821	3.0
441.26392	5.1
495.29184	4.5
513.34082	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	514.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.99273	0.2
69.03432	0.8
71.04984	1.8
71.09849	0.5
72.44194	0.2
73.02917	0.3
77.27366	0.2
78.72102	0.2
85.02894	4.7
87.04451	0.3
97.02878	0.9
99.04438	0.5
109.02841	0.4
118.85159	0.2
128.89879	0.2
129.05437	0.3
132.04430	3.1
145.04961	0.6
147.04378	0.8
157.38867	0.2
160.03932	0.4
163.03976	0.3
178.04974	43.8
179.05334	0.7
185.66391	0.2
201.06511	0.3
206.04463	100.0
207.04865	1.4
240.82384	0.3
368.09692	10.0
369.10123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.2
55.01859	3.1
56.96300	4.2
56.96555	48.3
57.03415	2.7
58.99239	2.1
66.69792	2.7
68.93033	2.6
69.03412	12.2
69.52059	19.5
73.02882	3.5
84.96025	14.6
85.02892	18.4
97.02877	13.3
98.20807	5.1
98.96942	5.1
98.97570	90.4
100.99128	23.4
101.00836	6.9
103.00585	4.1
110.97547	32.6
116.98603	40.4
119.00156	5.8
119.01896	21.5
121.01651	3.2
126.96987	3.5
127.02349	3.8
127.03876	9.6
127.28236	2.1
128.98582	41.5
131.00070	5.5
131.01848	9.0
133.03397	3.9
134.99637	11.6
136.06131	2.7
140.98547	12.7
143.00168	12.2
143.01846	23.0
144.98042	11.4
145.01616	6.3
145.03404	27.0
145.04935	5.2
146.99634	31.0
147.03152	3.5
149.01120	4.6
152.98537	8.0
155.01878	14.3
157.01656	4.1
157.03409	11.4
158.99634	30.3
161.01288	13.7
161.02939	26.9
162.99164	11.9
163.02657	5.1
165.00752	13.4
167.01880	9.9
169.01738	2.5
169.03378	5.2
170.99634	39.6
171.04951	7.4
172.97533	19.8
173.01292	3.6
173.02904	25.0
175.02678	4.8
175.04446	4.3
177.00694	30.2
179.02097	4.3
181.01648	2.8
182.99571	9.7
183.01698	2.7
185.01357	3.2
185.02911	31.9
187.02632	7.5
187.04425	6.8
189.00685	38.8
189.05986	3.8
190.98596	45.3
191.02298	5.3
191.03905	13.8
197.02895	14.5
199.02629	3.6
199.04456	3.2
200.04366	3.4
201.00673	65.3
201.02541	3.3
202.54968	3.3
203.02260	2.9
203.03717	12.7
204.04124	2.4
205.03645	3.8
207.01678	7.1
208.99655	64.2
213.00685	4.2
214.98589	17.5
215.03911	10.4
219.01744	71.5
220.04668	2.6
221.04976	5.8
221.06920	3.6
227.00597	5.6
227.03932	11.1
231.01581	6.4
232.03453	2.8
232.97429	4.4
232.99672	58.9
233.03033	5.8
233.05194	19.8
237.02802	42.3
243.01689	25.5
244.99580	6.5
245.05049	100.0
246.05136	4.6
247.04750	17.3
249.02769	3.3
251.00713	37.7
255.07112	2.6
257.04935	6.0
261.02768	69.0
263.00726	18.1
263.05719	11.9
268.06024	3.6
272.06485	3.0
273.02756	9.1
275.06012	20.1
275.29288	2.7
279.03830	39.3
281.01611	3.0
281.06989	6.7
291.03879	19.3
293.02072	13.7
293.07220	5.7
299.00876	3.7
302.05283	3.2
305.07062	14.4
317.01797	25.3
317.06940	3.9
321.04871	36.6
323.10001	10.7
333.04666	4.9
335.02850	44.0
335.08423	11.7
351.05991	12.7
353.03836	48.8
353.08093	3.3
365.09241	19.6
367.09589	3.1
381.07092	24.5
381.11850	4.7
399.07965	25.0
455.10593	3.7
497.07709	10.5
497.14029	3.8
515.08868	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.6
55.05504	17.3
57.03432	9.4
57.07059	2.8
61.02932	4.9
63.79650	2.5
65.03935	2.7
67.05501	94.3
69.03428	6.1
69.07056	18.0
69.30859	2.6
70.83626	8.8
71.05000	5.2
73.02916	2.8
79.05483	47.7
81.03391	5.4
81.07050	100.0
83.04990	3.2
83.08615	10.1
85.02892	8.0
91.03955	5.2
91.05473	32.5
93.07034	62.6
95.04969	7.2
95.08602	72.2
97.02900	6.8
97.06562	3.4
97.10178	4.8
99.04412	2.9
105.07011	28.4
107.08581	37.9
109.06522	7.3
109.10144	36.9
111.08084	3.2
117.07018	9.2
119.08574	21.6
121.10149	33.9
123.11713	15.8
129.07054	3.8
131.08559	25.1
133.10107	21.5
135.08104	3.6
135.11693	26.3
139.11201	3.5
143.08540	4.0
145.10100	20.0
147.11667	17.1
149.13213	22.1
151.07414	3.1
151.11235	3.5
151.14822	3.9
155.08582	3.2
159.11662	17.0
161.13229	16.7
163.14809	11.0
171.11652	4.0
173.13277	18.0
175.14891	3.8
177.12816	4.6
177.16403	2.9
185.13281	4.7
187.14816	11.7
199.14821	3.3
201.16483	2.7
201.61502	2.6
243.21034	23.1
261.22119	63.2
279.23236	5.2
287.74176	2.6
301.21442	3.1
303.23093	3.3
303.95096	2.8
335.25778	24.8
353.26776	10.2
369.24158	3.6
387.25009	2.6
419.27765	2.8
431.63754	2.9
497.30615	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	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43368	4.0
52.51128	3.6
53.03941	6.6
53.20740	3.9
55.05509	21.3
57.03411	5.6
61.02900	6.2
67.05496	100.0
69.03424	9.1
69.07055	10.9
78.74536	3.5
79.05484	59.0
81.03418	5.1
81.07046	96.9
83.04993	4.6
83.08614	12.1
85.02917	8.0
87.64026	3.8
91.05477	42.3
92.37537	4.0
93.07039	74.6
95.04965	7.1
95.08601	77.4
97.02876	5.0
97.06505	6.5
97.10179	6.5
105.07005	30.6
106.23579	3.7
107.04934	3.6
107.08574	49.9
109.10148	39.7
111.08041	5.9
117.07028	17.6
119.08565	27.5
121.10136	41.3
123.11698	18.3
129.07008	7.0
131.08540	32.7
131.52094	3.7
133.10123	26.0
135.11687	35.0
139.11089	4.6
143.08551	4.9
145.10098	27.1
145.73000	4.0
147.11682	19.5
149.13220	23.9
149.41803	4.0
151.11121	4.6
159.11653	19.1
161.13252	14.7
163.14838	18.7
171.11693	5.6
173.13239	23.3
177.16248	4.3
179.14230	4.4
185.13243	4.3
187.15004	9.1
243.21016	35.6
261.22113	96.8
272.82956	4.5
303.23364	5.2
335.25830	16.2
353.26831	22.9
408.65674	4.9
423.32547	4.4
515.36383	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	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.3
55.01865	4.3
55.05507	20.1
55.49602	3.1
57.03426	15.6
57.06397	3.5
61.02918	10.9
67.05497	94.1
69.03414	11.7
69.07066	20.3
69.80869	10.9
69.81279	9.8
71.05000	4.9
73.02921	3.4
79.05483	48.5
81.03414	15.6
81.07048	100.0
83.04964	5.3
83.08618	11.3
85.02898	14.5
91.03952	5.0
91.05476	42.3
93.07031	72.3
95.04958	17.7
95.08594	77.4
97.02879	13.2
97.06522	7.2
97.10179	6.6
98.21538	3.7
99.08082	6.4
103.04000	3.3
105.07008	32.2
107.04950	4.6
107.08575	40.1
109.06506	13.7
109.10140	32.9
111.08061	6.0
117.07036	15.2
119.08591	22.4
121.10104	31.4
123.08067	4.5
123.11718	12.8
127.03935	3.9
129.07027	4.2
131.08563	32.0
133.10071	22.2
135.08031	7.9
135.11667	20.5
137.09593	5.1
137.13245	4.3
143.08522	6.9
145.10121	19.4
147.11713	19.0
149.09607	5.8
149.13239	11.4
151.07510	6.8
155.08638	3.7
157.10162	6.1
158.17896	3.7
159.08054	4.7
159.11697	17.9
161.13290	13.6
163.11147	5.5
163.14833	9.7
165.12798	3.4
171.11684	5.2
173.13254	13.9
175.07613	4.7
175.11017	5.1
185.13254	3.8
187.14803	8.2
199.14899	4.4
200.62779	3.7
243.21030	10.0
255.21068	4.2
261.22079	30.2
301.21472	5.2
303.23434	5.2
304.66373	3.9
315.22992	3.8
327.23093	5.5
335.25903	17.0
345.24109	10.9
353.26758	16.1
369.24042	7.7
377.26834	5.4
387.25342	5.8
419.27679	7.8
461.29105	7.5
480.30093	4.8
482.09091	3.5
497.31039	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	515.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.8
55.01859	5.1
55.05499	25.4
57.03429	10.2
57.07063	4.9
61.02902	5.3
67.05494	77.8
69.03411	15.8
69.07059	26.1
70.70650	11.5
71.04993	3.9
73.14285	3.5
79.05486	64.2
81.03397	12.0
81.06587	6.5
81.07047	100.0
83.04958	10.4
83.08595	7.1
85.02897	8.8
85.06508	4.9
91.03974	4.7
91.05459	48.3
93.07024	66.3
95.04946	16.8
95.08598	73.8
97.02872	5.9
97.06522	6.7
97.10135	4.6
99.08080	5.3
102.88027	3.9
105.07014	37.8
107.04960	7.3
107.08584	39.0
109.06481	10.5
109.10150	35.9
111.08035	5.1
117.06994	18.8
119.08578	31.0
120.08955	4.3
121.10123	41.0
121.35115	3.9
123.08067	7.2
123.11678	17.4
128.58188	4.2
129.06993	7.6
131.08556	34.2
133.10112	18.4
135.11681	22.8
137.13254	4.8
143.08534	9.7
145.06523	4.6
145.10103	27.6
147.11641	18.7
149.09604	4.7
149.13214	18.4
151.07512	10.7
155.08440	5.9
157.10136	9.1
159.11678	24.9
161.13219	15.3
163.14793	13.0
165.09126	5.0
168.48798	3.9
169.10115	4.7
171.11610	11.5
173.13239	23.8
175.14787	6.7
177.16293	3.9
185.13278	6.9
187.14771	6.1
189.12753	6.4
191.14285	4.7
199.14836	5.1
243.21017	16.1
247.16943	4.5
261.22125	58.5
273.22235	4.3
301.21707	4.7
303.23041	8.9
319.22705	4.4
327.23029	7.5
335.25711	6.5
345.24475	9.4
353.26752	18.9
366.12119	5.7
369.24158	7.1
387.25482	6.7
419.27728	8.2
461.28970	6.3
479.29755	7.7
515.23969	14.3
515.36719	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	515.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
54.31244	1.1
55.01867	2.0
55.05503	21.3
57.03437	8.1
57.07059	2.4
65.03931	3.1
67.05498	60.8
69.07058	18.0
69.77222	2.8
69.77631	2.7
71.01338	2.0
71.04980	4.3
73.83757	0.9
77.03916	1.1
79.05485	59.8
81.03407	3.2
81.07046	48.6
83.04990	6.2
83.08614	7.2
85.06546	3.7
91.05470	34.9
93.07032	60.9
95.04939	7.7
95.08598	26.2
97.06519	8.6
97.10151	7.9
98.20825	1.4
99.08080	1.2
105.04528	1.7
105.07020	21.2
107.08582	36.6
109.06515	1.5
109.10149	10.5
111.08084	3.2
115.05421	1.3
117.06993	10.0
119.08574	16.4
121.10120	22.2
123.11665	2.4
125.09628	1.5
128.06178	1.7
129.06998	3.8
130.07751	1.6
131.08560	16.0
133.10115	11.7
135.11673	42.1
137.09595	1.6
141.06966	1.3
143.08540	5.8
145.10097	17.1
147.11665	4.8
149.13249	4.0
155.08588	2.2
156.98894	1.1
157.10127	6.4
159.11679	10.3
161.13264	3.8
163.11177	4.8
163.14847	1.7
169.10106	2.9
171.11707	4.3
173.13260	7.0
175.14809	2.4
181.10101	1.1
181.12230	5.4
183.11673	3.4
185.13242	3.7
187.14824	3.3
195.11690	1.0
197.13235	2.4
199.14848	1.8
209.13330	1.4
211.14803	1.6
212.60797	1.1
213.16452	1.4
225.16646	1.1
227.18047	1.5
243.21078	1.2
261.22141	4.1
285.21939	1.5
315.23108	1.4
317.24667	1.3
323.23621	1.1
353.75208	1.0
356.92258	1.0
405.31528	1.9
423.32532	7.5
441.33527	2.9
497.36368	3.4
515.37280	100.0
516.37573	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	515.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
54.32248	1.3
55.01856	2.8
55.05508	15.8
57.03423	8.3
57.07059	3.1
59.37535	1.3
64.86678	1.4
65.03922	2.9
67.05502	53.8
69.07070	16.9
70.87867	3.8
71.04993	3.1
79.05486	46.2
81.03407	1.9
81.07056	35.9
83.04960	4.6
83.08598	4.2
84.63134	1.5
85.06539	2.1
91.05473	34.1
93.07037	54.5
95.04958	8.8
95.08601	23.6
97.06532	10.1
97.07056	1.7
97.10168	7.2
104.05567	1.8
105.07012	15.7
107.08589	26.4
109.06528	1.7
109.10123	10.2
117.07009	10.7
119.08566	13.8
121.10152	16.0
125.09677	1.5
129.06934	2.1
131.08534	12.7
133.10126	10.1
135.11684	36.8
138.47221	1.8
143.08560	4.5
145.10095	17.4
147.11679	4.5
149.13220	3.6
157.10141	4.2
159.11678	8.4
161.13280	3.0
163.11212	3.8
171.11705	4.8
173.13234	7.3
175.14734	1.7
181.12239	4.6
183.11613	1.6
185.13303	3.7
187.14844	3.7
195.11728	1.6
197.13394	1.8
218.75185	1.4
238.25732	1.5
261.22229	4.7
301.15799	1.4
366.59668	1.6
405.31598	1.9
412.08801	1.6
423.32605	5.3
441.33527	2.6
497.36490	2.2
515.37341	100.0
516.37500	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96169	2.1
55.05491	3.3
66.08717	2.3
67.05495	5.8
69.07056	7.0
69.86412	3.5
69.86822	9.9
79.05479	3.8
81.07032	7.9
91.05481	10.8
93.07068	2.8
95.04911	3.0
105.07027	10.8
109.10155	7.4
121.06493	40.0
121.10122	2.8
123.11699	4.5
133.06477	7.7
137.05957	26.3
145.06525	4.4
149.05954	100.0
151.07538	32.9
159.08002	4.3
161.06018	3.8
163.07492	5.5
165.09108	23.0
167.07031	5.8
175.07539	6.7
177.05444	83.5
177.09058	8.9
187.07520	6.1
189.09079	9.3
191.06973	2.7
191.10687	7.3
195.06490	47.3
203.10596	12.8
209.07991	3.3
215.10664	14.2
217.12233	5.5
233.08061	2.8
236.94827	2.8
239.70412	2.7
261.11365	2.6
271.17001	5.1
273.18341	5.7
285.18600	4.4
287.20071	3.3
299.16306	3.8
317.17258	3.1
363.04904	3.1
398.11020	2.8
469.61075	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	516.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53942	1.0
55.05489	2.5
57.07076	1.7
57.85631	1.0
67.01909	1.3
67.05493	4.1
69.07056	6.8
74.10242	1.2
75.68631	1.1
79.05473	2.4
81.07043	7.6
83.08598	1.8
91.05471	9.5
93.07022	2.2
93.73479	1.0
95.05021	2.1
95.08578	2.9
105.07024	10.7
109.06525	1.5
109.10127	7.4
117.06982	1.4
119.04926	3.5
121.06493	40.5
121.10128	1.4
122.03646	2.5
123.11671	4.8
123.12505	1.4
126.58427	1.1
131.04868	1.3
131.08525	2.2
133.06479	7.3
134.03674	1.3
135.08051	1.9
137.05969	30.1
145.06450	1.4
149.05965	100.0
150.06363	1.3
151.07539	24.0
159.08046	3.6
161.05969	3.5
163.07516	3.6
165.05479	3.2
165.09106	21.1
167.07022	8.4
171.07959	1.4
173.09598	1.2
174.06642	1.5
175.07561	5.0
177.05458	76.8
177.08908	5.5
187.07520	6.4
188.08287	2.2
189.09091	5.7
191.07027	3.0
191.10632	5.2
193.08377	1.2
195.06520	44.2
201.09135	3.2
203.10638	12.7
205.12277	1.9
215.10687	10.7
217.12209	4.0
219.06465	1.9
221.08142	1.7
229.12241	2.5
231.13890	2.0
233.08136	6.2
233.15381	1.7
241.39851	1.2
243.10263	1.4
243.13705	1.2
247.09578	1.4
271.16818	6.8
285.18530	3.5
286.19135	1.4
287.19934	2.0
299.16403	4.0
311.19934	1.2
317.17294	2.6
332.13916	1.6
357.13266	1.2
381.16779	2.5
397.16586	2.6
435.25354	2.3
463.24564	1.4
481.25732	3.9
517.25793	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	517.3886
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
52.67093	1.4
53.03939	1.9
55.05508	14.5
57.03419	4.9
57.07070	2.2
57.94524	1.3
62.11167	1.3
65.03939	1.4
67.05502	31.9
69.07067	13.5
69.58828	1.3
71.05006	1.7
79.05487	24.7
81.07048	41.0
83.04986	1.7
83.08608	6.8
84.41864	1.2
85.06538	2.7
90.31266	1.4
91.05471	22.3
93.07038	32.4
95.04964	5.0
95.08598	29.6
97.06530	4.6
97.10139	3.1
98.37811	1.4
99.08106	1.7
103.53484	1.5
105.07026	25.6
107.08589	19.8
108.22358	1.3
109.06516	1.4
109.10147	14.4
111.08087	2.6
115.05399	1.4
117.07024	8.2
119.08575	21.7
121.10133	16.7
123.08015	1.8
123.11726	4.0
125.09634	1.9
125.66279	1.3
129.06979	6.2
130.07803	1.4
131.08545	15.0
133.10109	16.0
135.11667	10.2
137.13214	1.3
143.08543	7.2
145.10112	14.7
147.11693	12.7
149.13240	6.5
155.08566	3.4
157.10135	5.9
159.11670	13.0
161.13219	6.6
163.11188	1.6
163.14783	3.3
168.67902	1.3
169.10138	3.1
171.11687	4.1
173.13263	8.7
175.14839	4.9
177.16293	1.7
183.11742	3.8
185.13313	3.7
187.14865	4.4
191.14346	1.8
195.71843	1.5
197.13246	2.1
199.14848	5.4
211.14807	2.5
213.16489	2.3
219.17508	1.7
229.32198	1.3
241.17836	1.8
259.20581	3.5
273.22107	2.1
276.12894	1.7
299.23758	3.2
301.25223	1.4
313.25220	1.9
333.24243	2.4
355.26318	1.8
357.23517	1.5
405.29895	2.2
407.33209	4.6
425.34067	11.2
443.35150	4.4
447.30798	1.5
461.36493	3.4
499.37881	18.7
517.38898	100.0
518.39307	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	518.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59249	1.0
53.03931	5.2
55.01862	9.6
55.05489	2.2
57.07064	8.4
59.05002	1.1
60.01929	1.0
60.85243	1.2
65.03887	1.2
66.68391	1.1
67.05500	5.2
69.03430	7.7
69.07063	9.3
69.66953	7.6
70.02935	7.6
71.04978	2.6
72.04509	24.1
73.02913	13.3
73.04795	1.4
74.02454	1.2
81.03410	19.3
83.04984	5.4
85.02901	6.8
85.06532	7.5
86.09700	4.5
87.08089	2.7
90.05544	36.1
90.06077	2.4
91.05456	4.8
95.04964	8.8
96.08102	3.3
97.02894	10.1
98.02406	19.8
99.04440	4.7
100.03963	7.9
103.03924	1.8
103.07556	3.4
109.02869	28.6
112.07584	2.0
113.05956	5.4
116.03433	18.9
119.04907	6.6
123.04427	1.5
124.07574	28.1
127.03920	14.4
131.07028	1.7
132.06540	9.7
132.10150	1.5
137.05965	6.7
138.05447	2.1
138.88901	1.2
142.08604	17.6
145.04906	6.0
147.04396	22.6
156.10204	2.0
160.09657	7.4
163.03911	1.2
164.07065	8.1
165.05431	1.3
166.08624	3.7
172.09705	6.4
174.11235	6.9
180.06494	1.2
181.04910	2.6
184.09676	37.2
188.03676	1.3
198.07655	5.2
199.05969	4.0
202.10724	100.0
203.11348	3.0
210.07607	8.5
211.09642	11.1
216.08711	5.0
217.07066	4.3
220.11784	19.0
226.10622	1.8
230.10187	11.3
231.06497	2.9
232.06956	1.9
234.09695	9.3
244.11852	2.4
262.12817	18.7
288.05853	3.1
310.12851	10.5
328.13858	61.4
330.85675	1.1
346.14883	9.2
364.16019	21.7
506.33499	1.2
518.11615	1.9
519.18347	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48108	0.1
55.05504	0.2
56.05022	0.6
57.03421	0.1
58.06626	0.5
59.07372	0.1
60.08154	7.0
67.05492	0.5
69.07045	0.1
69.91096	0.1
70.06555	0.2
71.07362	3.6
73.62679	0.1
79.05481	0.3
81.07053	0.4
86.09692	34.6
87.10021	0.1
91.05464	0.2
93.07024	0.2
95.08595	0.3
98.97785	0.1
98.97917	0.1
98.98444	3.2
104.10723	3.2
107.08572	0.2
109.10121	0.2
119.08585	0.1
121.10106	0.1
124.99982	23.1
129.85338	0.1
143.01035	0.3
166.62411	0.1
184.07312	100.0
185.07672	0.6
192.19586	0.1
231.95193	0.1
233.56857	0.1
258.11020	0.3
335.25974	0.2
363.73227	0.1
500.31161	0.9
518.32349	1.5
519.32349	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.2
55.05499	0.8
56.05016	1.1
57.03429	0.5
58.06561	1.5
59.07394	0.4
60.08159	17.4
63.21280	0.2
65.03938	0.3
65.16990	0.2
67.05508	2.4
69.07061	0.4
71.07366	6.6
78.29042	0.2
79.05487	2.0
81.07047	2.1
83.08615	0.4
83.92059	0.2
86.09698	52.2
87.84564	0.3
91.05479	1.1
93.07029	1.7
95.08596	1.4
98.98447	4.1
104.10735	100.0
104.71642	0.2
105.06991	0.6
105.11082	0.5
107.08585	0.6
119.08562	0.4
121.10126	0.6
124.99993	29.1
143.01053	0.4
147.96086	0.2
163.01555	0.5
172.98294	0.3
181.02618	0.3
184.07324	97.7
185.07663	0.3
258.10910	1.4
335.25760	0.7
500.31363	8.5
518.32404	22.6
519.32379	0.5
525.92987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01868	2.5
55.05507	25.4
57.03419	3.6
57.07074	1.6
61.02904	1.3
63.19255	1.4
65.03937	2.8
67.05489	6.0
69.03425	8.6
69.07069	3.2
70.83707	4.0
71.04988	2.0
72.93785	1.8
73.02906	4.2
73.06571	1.5
79.05491	5.5
81.03411	8.8
81.07053	11.0
83.04982	2.8
85.02910	19.3
85.06544	3.0
89.03912	9.6
90.94772	1.4
91.05446	21.6
91.44189	1.3
93.07033	13.9
95.04934	4.0
95.08603	6.9
97.02886	6.0
97.06512	3.0
99.04448	3.1
103.05458	3.1
105.07034	9.3
107.04946	3.3
107.08581	6.2
109.02879	6.0
109.06521	3.4
109.10136	4.4
111.04420	1.7
117.03388	19.3
117.06983	1.8
119.04937	6.7
119.08570	4.3
119.27634	1.3
121.02828	2.8
121.06480	2.2
121.10142	4.7
123.04439	6.4
123.08058	3.3
123.11725	2.8
125.09568	1.6
127.03906	8.4
129.07022	3.3
131.04874	2.5
131.08568	6.0
132.95859	2.3
133.02795	1.8
133.06502	2.8
133.10115	6.2
135.04414	3.3
135.11681	4.5
137.05971	41.8
137.09590	1.6
139.03934	1.6
143.08551	1.8
145.02838	46.6
145.04962	4.4
145.06412	2.1
145.10185	3.4
147.04407	12.1
147.08066	2.5
147.11731	1.8
148.04773	2.0
149.02342	67.2
149.06024	8.6
149.09601	4.4
149.13297	2.1
151.03883	3.1
151.07574	3.5
151.11270	1.6
157.06535	2.1
158.97389	2.4
159.08049	2.0
160.11426	1.5
161.05948	7.3
163.03877	3.1
163.07536	3.2
163.73773	1.5
165.05431	9.0
165.09137	3.1
167.05544	1.5
167.06993	4.5
174.96947	3.3
175.07567	10.1
175.14694	2.0
177.05460	100.0
179.07054	2.5
181.08598	2.2
186.96834	1.5
187.07513	2.5
189.09071	5.0
191.10619	4.2
191.14319	2.7
193.04985	4.8
203.07010	17.3
205.08559	4.7
207.06557	1.9
209.11728	2.5
221.08017	4.0
234.98914	9.3
245.08084	2.5
267.06726	2.1
299.06247	3.9
303.23090	1.5
307.09677	1.4
321.24200	2.1
339.25223	4.0
357.13232	1.6
369.09763	2.4
387.10968	3.2
501.18863	2.2
519.22131	9.1
519.29187	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.05504	4.0
57.03431	4.3
59.58847	1.0
67.05500	2.4
68.93461	1.2
69.03419	3.4
69.07050	3.9
71.04990	23.2
71.52923	1.5
73.02912	3.2
75.04474	2.4
79.05489	2.4
81.03427	2.2
81.07050	13.4
83.04975	4.8
85.02898	37.1
91.05452	2.6
93.07025	5.6
95.08604	12.7
97.02879	3.3
99.04471	1.3
99.08081	2.1
105.07021	10.9
107.08579	10.1
109.02908	1.5
109.06548	1.5
111.04462	2.8
113.09630	1.4
117.03382	1.5
117.06997	1.7
119.08580	43.3
121.10120	3.2
123.08007	1.8
123.11696	1.6
127.03898	3.9
129.05478	7.9
131.08543	2.8
132.95860	1.3
133.10120	44.1
135.11684	9.4
137.05972	11.1
145.02795	1.9
147.04402	2.1
147.06506	5.8
147.11670	3.8
151.03918	1.3
152.37199	1.1
161.05925	1.6
163.04005	1.6
167.05594	2.6
167.07047	3.7
175.14813	100.0
177.05446	5.4
181.08580	1.8
188.03708	1.5
193.15863	8.0
199.67709	1.3
207.69937	1.0
211.16948	4.6
234.98932	2.8
252.21156	1.5
299.05991	3.4
362.12097	1.4
369.10422	1.5
387.10938	2.7
438.07925	1.3
501.19052	1.3
514.53571	1.4
519.24884	7.2
524.34949	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66399	2.4
53.03942	8.6
55.01847	7.0
55.05501	27.5
55.67208	2.5
57.03431	5.1
57.07048	3.2
59.04971	4.3
59.12881	2.4
59.59981	2.4
62.38831	2.4
62.44731	2.6
65.03936	3.9
67.05492	34.7
69.03426	14.3
69.07061	39.6
69.82835	14.2
70.87755	3.1
71.04974	10.2
73.02892	5.6
73.86366	3.4
79.05487	28.7
81.03416	33.3
81.06586	5.6
81.07050	100.0
83.04964	10.7
83.08615	8.5
85.02921	13.6
85.06522	6.2
91.05426	26.5
93.07032	58.7
95.04955	25.2
95.08598	72.5
97.02879	11.3
97.06513	12.5
97.10143	20.2
98.21432	5.2
99.01732	3.3
99.04445	8.0
103.05450	3.2
105.07019	49.3
106.62112	3.4
107.04941	10.7
107.08584	53.0
109.02875	23.7
109.06480	13.9
109.10152	51.5
111.04414	7.3
111.08078	7.6
111.11711	4.3
115.05408	2.9
116.82494	2.9
117.07015	9.5
119.04921	4.6
119.08569	41.8
121.06508	8.4
121.10127	46.7
123.04439	9.0
123.08030	8.7
123.11692	33.5
125.09602	8.9
127.03905	17.3
128.99986	2.9
129.06993	7.2
131.08517	13.9
133.02855	3.4
133.10097	25.5
135.08044	6.6
135.11703	25.4
137.05946	36.7
137.09610	10.6
137.13271	6.7
139.11147	12.5
142.07765	5.4
143.08565	7.1
145.02863	4.3
145.10136	25.2
147.04395	12.9
147.08054	7.2
147.11697	28.4
149.06035	4.0
149.09630	7.1
149.13261	12.5
151.03906	4.4
151.07529	5.3
151.11192	9.2
153.12711	6.2
157.06435	3.3
157.10117	10.3
157.12215	4.7
159.11664	20.2
161.05972	7.6
161.09584	3.2
161.13277	16.2
163.03923	4.0
163.07520	3.9
163.11168	11.3
163.14825	8.4
165.05487	5.4
165.12715	7.9
167.05618	5.9
167.07043	6.3
167.08502	3.4
167.14403	3.6
169.10156	3.6
171.11671	5.8
173.13258	9.6
175.07487	5.7
175.14853	11.7
177.05482	9.6
177.12752	6.5
177.16345	5.5
179.07030	4.0
179.10585	3.3
185.13284	3.5
187.07526	5.2
187.11218	3.6
187.13284	4.8
187.14830	14.4
187.16321	3.1
191.06978	4.2
191.14345	5.3
193.15919	4.2
197.13345	3.5
199.14822	3.2
201.12706	3.1
201.16394	3.5
203.07086	3.6
205.08604	6.4
205.15898	5.3
209.15375	9.0
213.16403	4.0
251.10855	3.8
257.22629	7.5
275.23639	9.5
285.22083	9.1
291.23199	5.9
293.24622	5.3
299.06131	9.3
303.23178	44.3
319.22839	3.9
321.24127	20.0
344.97430	5.9
357.13248	10.3
411.25031	8.1
415.04092	3.1
429.26260	5.6
447.27368	11.3
459.18829	3.5
465.28476	13.2
483.29391	6.1
487.17358	3.6
501.18906	3.8
519.19434	9.6
519.27783	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	520.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.4
53.80717	0.7
55.01868	2.0
55.05499	2.4
56.05025	0.7
57.03432	12.8
57.73993	0.7
60.04520	1.2
61.02927	1.4
67.05491	0.8
69.03429	4.0
69.76353	4.0
71.04987	82.8
72.05318	0.9
73.02904	3.4
75.04467	4.1
79.05474	0.9
81.03424	1.4
81.07028	1.4
83.04982	7.3
84.04476	0.8
85.02896	100.0
87.04455	1.9
91.05461	7.8
93.07049	1.0
95.04953	1.9
97.02868	5.5
98.21537	1.1
99.04447	2.3
103.05471	1.5
103.27826	0.7
105.07022	3.1
107.04947	23.1
107.08604	1.7
109.02863	1.0
109.06507	1.2
111.04424	4.1
115.03943	0.9
115.05441	2.1
117.07014	1.4
122.03642	0.8
123.04410	1.8
127.03922	2.9
129.04503	1.7
129.05466	29.3
129.07002	2.7
131.08539	8.8
133.06487	0.7
133.10126	0.8
135.04404	0.7
135.08038	5.2
137.05962	3.9
144.06598	1.0
145.02893	1.4
145.04965	2.2
145.06482	1.3
146.08162	2.1
147.04445	1.6
147.06512	10.9
153.05513	1.1
159.08015	5.0
159.64461	0.7
161.05956	0.9
162.07669	2.6
163.07521	20.6
164.07954	1.1
164.09116	4.6
167.07016	45.2
173.13341	0.8
175.07521	3.1
177.05450	2.4
180.08751	1.7
187.07538	8.6
189.09053	1.9
195.10149	36.4
196.10199	0.7
204.07825	2.5
205.08667	2.1
207.10158	8.7
209.11719	1.2
219.10153	10.6
221.11693	6.6
225.11237	2.8
227.10640	0.9
231.10184	1.9
233.11678	1.3
237.11240	1.3
237.99748	0.8
245.11638	1.8
247.09680	2.3
249.11223	3.7
261.11264	0.9
263.12762	2.0
287.12650	1.8
305.13852	2.9
326.14517	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98302	1.0
55.01859	2.5
55.05500	4.2
55.72004	1.1
57.03430	12.9
63.35955	1.2
67.05489	1.6
69.03418	6.6
69.71780	7.9
71.04986	86.7
71.63425	1.2
73.02906	4.7
75.04468	2.8
79.05461	2.2
81.03412	1.8
81.07055	3.0
83.04972	13.0
83.08653	1.2
85.02896	100.0
86.03203	1.3
87.04466	2.4
91.05472	3.3
93.03388	1.1
95.04959	1.7
95.08620	1.6
96.86252	1.0
97.02878	5.0
98.21539	1.3
99.04456	4.6
103.03918	1.3
103.05453	6.3
105.07014	5.0
107.04935	6.1
107.08575	4.4
109.06507	2.6
109.10176	1.8
111.04443	4.1
115.05459	1.2
117.07018	1.8
119.08574	2.4
121.06470	1.8
121.10114	3.1
123.11690	1.3
123.88480	1.2
127.03896	3.5
129.05469	31.7
131.04903	2.6
131.08568	4.6
133.10103	3.6
135.08014	7.6
137.05965	2.6
139.03893	2.1
143.08545	1.9
145.02846	1.3
145.04933	2.7
145.06487	1.8
145.10139	1.6
146.08139	2.3
147.04443	3.0
147.06517	15.0
147.07819	1.6
149.13261	1.8
151.03818	1.6
154.06235	19.2
158.10817	1.8
159.11761	1.1
161.05930	1.5
162.07588	2.4
163.07538	19.6
163.91707	1.2
164.07988	1.4
164.09114	5.3
167.07062	3.6
173.05867	1.5
173.13289	7.1
175.07542	1.5
177.05479	4.4
180.08817	1.7
191.14322	7.9
195.10141	57.3
205.08546	2.2
207.10219	3.3
209.15291	1.4
219.10118	2.0
221.08086	2.5
249.44350	1.1
259.13287	1.4
262.51190	1.3
275.59244	1.1
287.12750	2.4
290.38843	1.2
305.13800	5.4
326.14264	1.1
330.59518	1.1
350.10001	1.1
376.56659	1.1
396.10425	1.3
417.61179	1.2
520.18182	4.3
521.19086	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.05505	8.0
57.03420	7.4
60.08158	3.2
61.08499	1.1
61.87786	0.9
63.24800	1.0
67.05498	32.8
69.07068	6.5
71.07359	1.4
79.05486	16.4
81.03387	1.0
81.07047	26.7
82.78283	1.0
83.08604	2.9
85.06535	1.3
86.09700	14.5
87.10023	3.1
88.03973	6.8
89.51809	1.1
91.05433	6.4
93.07033	17.5
95.04951	2.3
95.08598	21.9
95.09165	1.6
97.10187	1.4
98.20702	2.5
98.98456	8.5
104.10753	2.4
105.07040	4.6
107.04922	1.6
107.08592	7.5
109.10156	7.3
117.07015	1.5
119.08582	3.4
121.10117	5.5
123.11742	2.1
124.99992	13.8
126.00340	1.8
127.00435	2.3
131.08572	2.0
133.10114	3.5
135.11699	3.4
136.35191	1.3
137.05946	2.8
140.06248	1.1
151.07552	5.1
165.05443	1.5
173.02094	1.6
184.07321	43.3
185.07687	18.0
186.07771	13.3
189.09032	1.1
229.60504	1.3
232.58614	1.2
243.20909	1.1
261.22141	1.6
327.60556	1.1
335.25775	100.0
336.26062	2.3
348.25287	2.1
357.42703	1.1
399.24429	1.1
431.50223	1.2
520.33160	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	520.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.3
56.05035	0.7
57.03427	0.2
57.62917	0.1
58.06311	0.2
58.06623	0.5
59.07383	0.1
60.08159	6.6
60.49735	0.1
67.05495	0.6
69.07055	0.4
70.06582	0.2
70.83523	0.3
71.07366	3.3
74.03815	0.1
75.35905	0.1
79.05478	0.2
81.07040	0.6
83.08612	0.1
86.09697	32.3
87.10017	0.1
91.05485	0.2
93.07037	0.1
95.08601	0.5
97.10190	0.1
98.98456	3.2
104.10732	3.0
105.07036	0.1
119.08559	0.1
124.99991	22.6
143.01007	0.2
163.01775	0.1
166.02666	0.1
184.07320	100.0
185.07709	0.5
258.11020	0.3
282.77612	0.1
331.65140	0.1
337.27209	0.2
502.32724	0.8
516.22479	0.1
520.26520	0.1
520.33942	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
56.05026	1.5
57.03432	0.3
58.06566	1.4
59.07372	0.3
60.08155	17.1
67.05491	2.8
69.07061	1.2
69.97273	0.7
71.07361	6.7
79.05470	1.1
81.07039	2.8
83.08603	0.6
86.09695	50.1
91.05484	0.6
93.07018	1.0
95.08588	2.1
98.98450	4.4
98.99040	0.3
104.10728	96.0
105.06927	0.4
105.11066	0.5
109.10137	0.8
119.08578	0.4
121.10130	0.3
124.99986	30.2
127.15032	0.2
133.10094	0.2
143.01057	0.3
147.11658	0.2
157.99075	0.2
163.01535	0.7
172.80472	0.2
177.07112	0.2
184.07315	100.0
185.07681	0.6
231.62988	0.2
258.11124	1.1
292.06290	0.2
337.27417	1.0
443.25751	0.3
502.26505	0.2
502.32819	7.7
520.33917	23.9
521.34491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04748	5.2
66.43687	3.7
70.96035	12.5
72.46666	4.6
85.02882	13.7
91.05821	5.7
91.24528	4.2
97.02873	6.7
118.06520	15.6
127.03896	6.8
132.08038	5.0
137.06046	4.5
139.03899	5.6
144.08023	7.5
146.06003	61.0
147.04398	19.8
163.03868	13.5
167.05504	9.6
188.05525	3.9
188.07045	100.0
205.09737	32.0
237.02727	6.6
299.06326	5.9
301.06055	5.4
378.47049	5.4
450.10077	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	521.2508
Annotation	Antimycin A7a
Peak:m/z	Relative Intensity
55.05514	0.7
67.05498	1.5
68.71844	0.5
71.52515	0.9
75.37698	0.6
79.05503	1.3
81.07064	1.3
86.09665	0.6
95.08561	0.6
104.10783	0.7
107.08585	0.8
109.10156	0.9
119.08595	0.7
135.11668	0.8
151.03893	0.6
151.07523	1.0
165.05565	0.6
165.09125	1.0
168.74146	0.5
184.07370	0.9
187.07402	1.0
217.04774	2.1
271.09433	3.0
295.16675	2.7
296.17471	6.9
340.16473	14.3
341.17236	3.8
503.23877	6.6
521.25092	100.0
522.25391	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	521.3318
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.05491	36.5
67.05495	33.7
69.03408	39.3
69.07045	44.9
70.99039	11.7
79.05482	36.9
81.03420	27.5
81.07053	100.0
83.08617	19.6
85.02910	19.5
91.05463	25.4
93.07030	44.5
95.04927	22.6
95.08607	62.2
97.06527	22.1
97.10205	15.0
98.21520	28.8
98.84106	13.6
99.04453	22.3
99.08031	13.2
104.60893	12.3
105.07023	54.2
107.04936	21.1
107.08570	66.2
109.02870	24.1
109.06541	14.3
109.10153	48.6
111.11713	15.9
117.07032	15.2
118.23476	13.8
119.08561	44.5
121.06494	12.5
121.10112	52.7
123.11696	50.1
127.03924	18.9
129.06969	13.0
131.08537	15.5
133.10120	17.0
135.03351	12.6
135.11676	36.3
137.05940	62.9
145.06483	17.7
145.10083	26.2
147.04413	13.5
147.11691	37.6
147.37874	14.3
149.13231	27.5
151.07558	22.0
161.13239	19.0
163.11266	14.2
173.06044	15.2
173.09586	13.4
177.05431	22.8
177.16409	19.8
195.08006	15.2
195.17538	13.3
197.06052	21.7
202.05002	31.6
217.51181	12.6
249.90321	15.5
305.24649	66.7
323.25842	13.8
521.19720	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	521.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.05499	10.9
57.03423	3.5
57.07062	4.6
60.08157	5.8
65.03928	3.3
67.05504	37.9
69.06725	4.6
69.07062	53.3
70.08360	8.6
70.08763	4.6
77.61684	3.2
79.05477	16.6
81.07041	47.6
83.08596	8.8
86.09689	17.7
87.10043	4.8
91.05455	32.0
93.07038	30.7
95.04955	5.4
95.08598	49.7
97.10184	4.3
103.05484	5.8
105.07010	43.3
107.04968	5.3
107.08585	34.5
109.06534	3.0
109.10135	44.8
111.11681	7.5
117.07024	7.4
119.04915	3.2
119.08562	30.6
121.06478	41.9
121.10123	21.9
123.08065	14.0
123.11686	26.8
124.99984	14.1
131.08554	12.2
133.06476	5.4
133.10106	42.8
135.08070	9.3
135.11668	13.3
136.05183	9.4
136.62570	3.7
137.05943	12.3
137.13248	6.5
138.06715	4.6
139.14925	2.9
142.07799	4.3
143.08522	7.3
145.06490	3.2
145.10115	12.6
147.11647	28.2
149.05954	97.7
149.13231	8.5
151.07518	76.3
151.08665	4.6
155.08511	3.0
157.10129	3.6
159.08118	3.1
159.11679	8.9
161.05962	6.9
161.13199	8.2
163.07487	31.9
163.14804	5.1
165.05501	5.6
165.09076	17.9
167.07033	8.0
171.07954	4.1
173.09590	4.5
173.11774	3.1
173.13190	7.1
175.07521	16.9
175.11159	3.9
175.14798	7.1
176.08318	6.1
177.05431	72.4
177.09081	9.9
177.16338	9.7
179.07001	38.0
179.10683	4.4
184.07332	48.7
184.08948	4.3
185.07680	12.6
185.09377	3.9
187.14798	6.8
188.08289	4.1
189.05435	5.4
189.09096	14.2
189.16360	53.4
191.07030	27.2
191.08716	3.6
191.10612	20.7
191.17952	3.6
193.08641	5.1
195.06519	32.9
199.11002	3.0
201.09003	6.2
201.16389	10.6
202.09779	4.4
203.06982	13.9
203.10641	19.6
203.17894	30.7
205.12144	7.1
207.06496	100.0
209.08049	10.1
215.10616	7.5
217.08582	6.9
217.12238	16.0
217.86369	3.0
221.08093	9.7
221.11673	5.1
225.00977	2.7
229.12177	5.4
231.10165	5.3
231.13824	5.6
235.09608	7.1
235.13269	7.7
242.13023	3.2
243.13644	6.6
245.11664	4.8
247.09651	12.6
249.11136	14.9
253.15904	4.5
255.17441	4.6
257.11630	3.7
261.11157	4.5
263.12775	9.9
271.13248	4.1
271.24002	4.6
273.18280	2.8
275.20029	4.9
285.18475	10.0
291.70190	2.8
303.19586	8.0
313.17926	7.7
331.19037	37.3
337.27325	24.9
379.22778	7.1
402.67685	3.1
486.99927	3.4
521.36139	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	521.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98636	1.5
53.03942	4.7
55.01863	3.2
55.05504	33.9
57.03435	10.7
57.07072	10.6
60.07930	1.4
60.08163	14.6
65.03934	2.6
67.05499	49.9
69.03418	4.0
69.07063	31.9
71.04978	6.4
71.07365	5.0
71.08629	4.2
71.53024	1.8
79.05485	33.2
79.94796	1.3
81.03407	43.2
81.07050	61.4
83.04974	6.2
83.08611	54.8
83.09116	2.0
85.02895	20.5
85.10144	1.5
86.09697	40.1
91.05471	26.8
93.07029	33.6
95.04949	21.7
95.08593	33.3
95.09169	2.3
97.02891	2.6
97.06505	7.1
97.10169	6.3
98.98455	3.5
99.08094	4.1
104.10730	86.2
105.07026	18.8
107.04958	7.3
107.08573	15.2
109.06524	4.1
109.10152	9.7
111.04420	4.0
111.08070	9.8
113.05997	2.2
115.05446	1.8
117.07007	3.2
119.08574	13.3
121.06596	2.1
121.10136	25.4
121.10941	2.6
123.11682	7.6
124.99995	24.3
125.09595	3.0
129.07004	4.9
131.08595	8.4
133.06488	2.1
133.10126	7.5
135.11693	17.3
137.09547	2.2
137.13251	6.2
139.11185	3.4
142.07796	3.2
145.10141	4.4
146.47383	1.5
147.08064	2.3
147.11685	8.0
149.09645	5.1
149.13272	5.1
151.07570	8.1
152.09625	1.8
154.94173	3.1
157.10127	8.2
159.08058	1.9
165.09108	2.4
165.12726	1.9
172.95221	11.2
175.11157	8.8
184.07317	79.1
185.55321	1.7
190.96289	6.7
191.10657	3.1
193.12236	39.7
205.12248	2.0
209.11687	9.8
210.97853	3.6
211.13252	50.1
219.21060	7.4
227.12796	3.5
228.97847	3.5
237.22162	6.6
246.98935	2.0
267.15927	5.3
285.17050	3.0
311.25909	4.6
339.29114	1.9
447.18320	1.9
465.19220	3.6
504.34613	6.9
521.21979	7.8
521.38367	100.0
522.35254	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82667	1.5
51.63581	1.3
53.03958	1.2
55.01870	3.6
55.05505	13.2
57.03423	2.6
57.06796	1.6
57.07069	25.2
58.46019	1.1
67.05500	23.6
69.03424	1.7
69.07065	9.6
69.78761	6.6
71.04977	2.1
71.08627	16.5
73.02904	1.4
79.05483	19.1
81.03397	3.4
81.07053	27.0
82.79725	1.3
83.04961	3.1
83.08613	12.4
85.10169	9.2
91.05450	8.4
93.07033	29.9
95.04937	6.6
95.08601	40.3
97.02875	2.2
97.06516	2.7
97.10170	5.7
99.04424	2.1
105.07030	8.2
107.04954	6.4
107.08581	21.5
109.10178	10.2
117.07015	7.2
119.08598	6.6
121.06501	5.2
121.10117	8.4
123.11678	2.5
125.05988	2.5
133.10109	2.3
135.08061	2.0
135.11673	33.9
145.10103	24.3
147.15021	1.2
163.11166	48.4
181.12193	10.2
189.36443	1.2
191.10698	1.6
209.11763	4.2
227.12759	100.0
228.13222	1.7
239.23676	4.9
352.17996	1.3
358.47342	1.4
404.87564	1.5
434.60571	1.4
521.38361	64.9
522.37958	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.9
57.03194	1.0
57.03434	6.5
57.07061	1.3
60.08160	6.8
61.08463	1.3
67.05498	28.3
69.07063	14.4
69.80421	4.2
69.80846	1.9
71.04958	1.2
71.07361	2.8
79.05491	6.9
81.07050	26.4
82.07388	1.1
83.04977	1.3
83.08628	6.2
86.09698	22.7
87.10028	6.3
88.03971	6.7
91.05483	4.2
93.07043	6.9
95.04935	1.0
95.08606	18.1
97.06509	2.3
97.10126	2.2
98.98472	6.3
104.10735	38.5
105.07018	3.9
105.10397	1.5
105.11069	11.9
106.04977	1.2
106.11218	1.6
107.08592	4.1
109.10146	7.8
111.08117	1.2
119.08555	3.6
121.10137	3.0
123.11696	3.3
124.99998	12.1
126.00342	1.4
127.00368	2.3
133.10126	4.1
135.11658	1.8
147.11618	2.1
149.13254	1.1
151.07550	2.2
153.79486	0.9
163.14845	1.5
165.09087	1.2
173.02084	1.2
183.75235	0.8
184.07317	39.0
185.07678	15.9
186.07753	9.7
228.45972	0.9
263.23584	1.9
265.91489	1.0
337.27341	100.0
338.27585	1.3
350.26855	2.1
504.33282	3.3
519.32312	1.2
522.34473	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	522.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07952	0.8
67.05495	1.2
69.76168	4.6
91.05455	4.9
98.21455	1.5
107.04932	6.1
108.05733	2.5
115.05461	1.1
117.07018	1.4
121.06473	4.1
128.06146	1.1
129.06998	1.3
131.04965	0.9
132.05707	1.5
133.06461	1.0
135.04407	2.0
135.08124	0.8
136.05200	7.6
137.06003	1.3
138.06754	1.8
139.07550	1.2
144.05774	1.2
146.07257	1.6
147.08078	1.9
149.05968	1.2
151.07530	100.0
152.07860	2.1
158.07281	8.0
159.04425	2.3
159.08058	3.4
162.06778	1.2
163.07620	1.8
164.08331	3.1
165.09052	7.8
172.08875	1.1
173.06000	1.2
174.06766	10.8
174.10368	2.6
175.07520	1.3
176.08234	1.2
177.09087	6.5
179.10660	23.4
188.08360	2.8
189.09093	34.1
190.09592	1.0
191.10721	1.5
198.10291	1.5
203.10678	6.8
205.12234	6.1
214.09850	1.3
221.09685	1.2
229.12207	7.8
249.09109	1.0
287.12698	6.5
301.14264	2.0
327.15854	7.8
344.89215	0.8
367.18982	6.9
505.25406	1.0
545.70026	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01867	2.9
55.05502	3.5
57.03436	9.2
59.04991	2.3
61.02925	4.2
67.05495	3.5
67.75631	0.8
69.03426	14.0
69.07060	10.7
69.41910	6.5
71.01326	1.6
71.04988	4.7
73.02907	16.3
74.06075	1.3
74.09710	1.6
79.05480	4.5
81.03402	3.3
81.07054	13.4
83.08604	5.6
85.02901	30.4
85.06554	1.4
87.04467	3.0
91.05484	4.4
93.07029	10.1
95.04950	2.8
95.08603	14.4
97.02880	21.8
97.06522	13.8
97.10145	1.2
99.04458	1.6
99.08082	1.5
103.03929	1.7
103.05439	0.9
105.07005	6.6
107.08588	10.4
109.02883	3.6
109.06508	12.9
109.07189	1.5
109.10134	7.3
111.08085	1.6
111.11708	2.0
115.03931	8.5
115.07566	2.2
119.04954	2.3
119.08578	11.5
121.06495	1.5
121.10129	8.4
123.08053	7.2
123.11692	12.6
125.09618	1.8
127.03922	7.9
131.08580	1.0
133.04988	7.1
133.10123	29.7
134.13951	0.9
135.11681	18.5
137.05977	3.7
137.09570	5.3
141.12743	0.9
145.04947	8.2
147.04404	4.4
147.11687	3.7
149.13257	16.1
151.03899	1.2
151.07558	1.1
151.11179	12.8
153.05534	0.9
153.12758	2.5
163.06033	3.4
163.07417	0.8
165.05475	9.3
165.06792	1.5
167.07045	1.3
173.61482	0.9
175.07526	1.0
175.14815	39.5
191.10550	1.0
193.04997	1.2
193.15872	64.7
194.16235	1.4
205.34262	0.9
211.16919	100.0
212.17345	1.2
223.06017	1.9
236.13008	0.8
241.07115	1.6
259.08218	2.6
295.10153	1.4
463.71576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.0
55.05499	4.7
57.03423	5.3
61.02892	3.6
64.59302	1.8
67.05494	4.3
69.03416	13.4
69.07061	11.5
69.95433	3.6
69.95832	5.6
70.06576	3.8
71.04980	4.0
73.02908	17.4
79.05510	3.8
81.03410	4.3
81.07050	13.0
83.04966	1.6
83.08633	1.4
85.02893	27.4
91.05463	11.4
93.07038	6.7
95.04973	3.7
95.08609	9.5
97.02872	21.0
103.03882	1.6
103.05451	2.1
105.07021	16.8
107.04942	4.4
107.08581	7.8
108.89772	1.6
109.02859	4.7
109.10139	4.6
115.03912	9.7
117.07014	2.5
119.04929	7.0
119.08575	42.6
121.06499	4.5
121.10116	8.7
122.03685	2.2
122.10550	1.7
123.04427	2.5
123.08011	2.3
123.11691	21.0
125.06015	1.9
127.03898	9.9
131.04892	4.3
131.08597	3.0
133.04968	13.6
133.06490	1.7
133.10117	42.1
135.08058	1.9
135.11674	4.8
137.05959	30.3
137.09694	2.5
138.06256	7.7
145.02800	2.2
145.04956	11.9
145.05952	1.5
145.06448	1.6
145.10081	3.9
147.04390	10.6
147.11694	5.1
149.05940	2.1
151.03783	1.9
151.07544	5.0
151.11320	1.8
152.07921	1.6
161.05998	7.8
163.03912	2.6
163.06003	10.3
163.07375	3.6
165.05463	2.6
167.07034	14.3
168.07668	3.4
173.13245	2.2
174.06615	1.8
175.03860	6.6
175.07483	4.3
175.14815	100.0
176.15163	2.5
177.05484	6.4
177.09070	2.3
179.10698	1.7
181.04982	9.1
189.09117	2.3
191.14310	1.7
192.14552	2.0
193.04938	2.1
193.15887	15.0
207.06386	12.5
207.08170	1.9
207.10188	4.7
209.08058	1.7
211.07307	1.9
211.16890	4.7
221.09618	1.6
223.05829	2.1
224.08255	2.2
225.09029	2.1
235.07542	4.1
237.09033	1.9
239.06883	2.2
239.10695	1.8
240.07834	2.6
241.06851	2.8
248.08102	2.0
249.09084	2.0
250.09886	2.3
251.07040	2.4
251.10973	1.8
253.08557	3.0
259.08115	12.4
261.08923	2.0
263.06973	2.4
266.09186	2.0
267.06720	1.8
267.10068	3.6
269.07977	2.3
277.08859	4.5
281.08066	5.5
283.09521	2.6
284.09564	3.8
285.11163	1.7
286.11777	2.1
293.11710	2.1
295.10095	9.6
296.10294	3.9
297.11157	4.1
298.11810	2.4
301.10095	2.4
309.11133	2.0
311.12854	3.0
312.13376	1.9
313.10730	3.9
316.12949	2.0
325.10541	3.9
326.11426	3.8
327.12149	4.9
339.12134	4.1
340.13016	13.5
341.13763	19.4
342.14575	8.1
356.88290	1.6
357.13171	15.0
359.15082	4.4
360.15579	14.1
372.15646	78.0
373.15939	5.3
380.15710	2.8
389.15768	8.7
504.20410	1.9
522.21252	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	522.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01861	2.0
55.05522	0.8
57.03434	2.7
57.07064	1.2
59.04994	0.7
61.02916	1.6
63.28812	0.5
67.05503	2.8
69.03423	6.3
69.07053	1.6
70.83538	1.8
71.01350	0.6
73.02913	7.4
79.05489	1.3
81.03413	1.9
81.07047	16.8
81.07527	0.8
83.08601	0.6
85.02898	14.3
87.04465	10.3
91.03928	0.6
91.05490	1.9
93.07025	1.8
95.04980	0.7
95.08610	3.5
97.02884	10.0
99.04446	1.0
103.03941	0.8
103.05453	1.0
105.07020	1.5
107.04945	0.8
107.08607	2.0
109.02872	1.6
109.06483	0.8
109.10157	3.3
111.59430	0.6
115.03938	3.6
119.04934	2.0
119.08541	1.4
121.06487	0.6
121.10136	2.7
123.11694	36.1
124.12042	0.7
125.13251	5.8
127.03905	4.0
131.04883	1.2
133.04933	4.4
133.10118	1.5
135.04404	0.6
135.11644	0.8
137.05951	4.5
137.09605	1.5
141.05473	0.6
145.02882	0.5
145.04947	3.3
147.04378	2.7
149.13269	3.0
151.03845	1.0
151.11169	100.0
152.11528	2.5
153.05392	1.1
154.08611	11.9
163.03870	0.9
163.06013	1.2
163.07492	1.6
165.05519	0.8
166.08591	0.5
167.06992	0.6
167.14427	0.5
175.03850	2.6
175.07474	0.7
175.14853	1.3
177.05508	1.3
181.08606	0.8
189.08910	0.6
192.40060	0.5
193.15857	3.8
207.06525	5.6
211.16916	89.8
212.17213	2.9
223.05992	0.6
259.08173	0.8
295.09793	0.8
416.33063	0.7
523.21655	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
55.95250	0.1
56.05030	0.4
57.03412	0.2
57.07081	0.2
57.78205	0.1
58.06629	0.5
59.07386	0.2
60.08157	6.5
67.05494	0.3
69.07041	0.8
69.42790	1.1
70.06568	0.1
71.07364	3.4
79.05473	0.2
81.07048	0.3
83.08618	0.2
86.09696	32.0
92.76139	0.1
93.07042	0.2
95.08607	0.4
98.98454	3.5
99.16944	0.2
103.02795	0.1
104.10732	2.7
107.08625	0.2
115.88083	0.1
116.99470	0.2
124.99989	22.5
184.07320	100.0
185.07666	0.7
231.98810	0.1
258.10959	0.2
276.89392	0.1
289.57285	0.1
322.93979	0.2
339.28928	0.2
452.47067	0.2
504.34494	1.2
522.35590	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.6
56.05030	1.3
57.03428	0.9
57.07072	0.9
58.06560	1.4
60.08158	17.5
64.87814	0.3
67.05501	3.1
68.05815	0.3
69.07065	3.2
69.68966	2.1
70.15633	0.3
71.07367	7.3
71.08630	0.4
79.05479	1.6
81.03429	2.0
81.03845	0.4
81.07048	3.3
82.07381	0.7
83.04993	0.4
83.08605	3.0
84.08936	0.7
85.02914	0.9
86.09697	49.8
87.10030	0.4
91.05481	0.7
93.07039	2.1
94.07356	0.4
95.04955	0.9
95.08598	2.0
97.10175	1.1
98.98447	4.5
104.10734	96.6
105.07047	0.4
105.11076	0.7
107.04960	0.3
107.08588	0.8
109.06530	0.3
109.10152	1.1
111.08050	0.5
119.08601	0.7
120.08992	0.3
121.10144	1.3
124.99992	26.8
131.08641	0.4
135.11678	0.9
147.11658	0.4
149.65984	0.3
151.07533	2.2
156.88287	0.3
163.01494	0.5
165.09236	0.4
179.10638	0.6
181.02588	0.3
184.07324	100.0
185.07721	0.8
189.08990	0.5
193.12262	1.3
194.12558	1.2
211.13275	1.2
212.13603	0.5
258.10999	1.0
339.28864	1.3
464.25000	0.3
504.34412	7.7
517.80756	0.4
522.35327	23.0
523.35693	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2145
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
54.15991	0.6
55.05470	0.7
57.03419	0.8
67.05479	0.9
69.03410	0.6
69.07046	1.0
70.06583	0.8
71.52744	0.7
73.02885	0.6
79.05489	1.1
81.07042	1.5
83.04974	0.7
85.02898	0.9
91.05462	2.0
93.07026	2.0
95.04977	0.9
95.08588	1.6
97.02900	0.5
97.06554	0.8
103.05437	1.0
105.06995	1.7
107.04903	1.1
107.08592	1.2
109.02906	0.8
109.06505	0.7
109.10142	0.8
112.02991	0.6
119.04944	0.7
119.08553	1.4
121.06281	3.0
121.10082	0.8
122.03652	2.4
123.04350	0.8
123.08057	1.1
129.06963	0.6
131.04916	1.2
131.08502	0.8
132.58685	0.5
133.10123	1.1
135.11690	0.6
137.04892	0.8
137.05952	16.9
138.06357	0.7
147.04416	1.5
149.05995	0.8
151.03926	0.9
151.07539	1.1
155.08403	0.5
159.08037	0.6
161.06000	1.9
163.03928	1.5
163.07545	2.2
165.05582	1.2
165.07007	0.9
165.80269	0.6
167.06976	3.5
168.07622	0.5
169.04771	1.4
175.03896	0.9
175.07529	1.3
175.14758	0.9
176.15172	0.6
177.05501	0.9
177.09106	1.2
180.79918	0.7
181.08571	2.1
183.59203	0.6
189.09082	1.3
192.79352	0.5
197.05859	0.5
207.06505	1.6
224.08333	0.6
225.08965	0.6
225.10954	8.9
229.17947	0.7
232.16258	0.6
267.12167	1.1
285.11279	1.4
297.13345	1.2
317.13763	1.1
341.13562	0.7
342.14218	0.7
351.15930	0.7
353.15689	1.1
358.13403	0.8
361.16116	0.8
369.15198	8.2
372.15533	0.8
373.15829	4.0
523.21442	100.0
524.21576	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2166
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01872	3.7
57.03432	2.7
69.03422	11.7
69.43938	18.4
79.05474	5.1
81.03414	13.7
85.02883	12.3
91.05463	10.0
93.07031	3.1
94.04182	2.6
95.04943	8.8
95.08561	3.4
97.02885	4.7
103.05456	30.4
105.07000	10.1
107.04914	15.6
115.05441	5.6
117.07029	3.1
119.04926	10.6
121.06480	3.8
122.03635	7.0
123.04459	2.8
127.03867	5.1
129.06989	6.9
131.04904	37.9
133.06490	5.7
135.04478	4.4
135.07988	3.6
137.05959	100.0
143.08577	2.6
145.06526	5.9
147.04362	18.1
147.08055	3.5
149.05934	10.1
149.45435	3.0
151.07532	39.3
155.08611	2.7
156.93636	2.6
157.06497	4.5
159.08025	3.2
160.05186	3.3
161.05977	15.5
161.09601	3.1
163.03906	3.6
163.07516	77.4
165.05418	3.1
167.06984	6.3
169.06451	3.4
171.08023	5.7
174.06749	4.4
175.07521	24.6
176.04543	2.4
177.05479	8.2
177.09076	25.4
179.06990	18.6
181.08611	3.3
187.07509	4.0
189.09123	11.7
191.06995	8.6
193.08531	2.6
195.08034	2.9
195.10115	6.4
201.09181	4.7
203.06963	9.5
203.10631	5.3
207.10205	12.1
209.07988	3.2
217.08562	5.9
219.10152	4.0
221.08061	3.2
221.11667	6.7
225.11171	2.7
249.11208	3.9
273.11069	5.8
275.12735	4.2
291.12228	8.2
292.39496	2.8
297.11337	3.7
327.64481	2.4
343.15402	5.9
357.13129	4.0
424.27405	2.4
513.84094	2.8
523.19397	4.5
549.72784	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	523.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	16.8
67.05490	30.9
68.82094	8.2
69.03421	9.9
69.07047	27.2
69.38601	37.2
69.39024	25.5
71.04987	6.8
79.05470	13.1
80.43878	6.8
81.03406	12.2
81.07053	81.5
82.43678	6.3
83.04919	8.4
83.08613	15.6
85.02882	14.5
85.06526	18.5
91.05445	29.8
93.07013	22.3
95.04967	11.2
95.08588	71.4
95.69877	6.6
95.72098	6.6
97.02853	7.9
97.06557	7.7
98.20809	15.8
99.04426	8.7
103.05364	8.4
105.06995	17.4
107.08566	26.4
107.21217	6.3
109.06458	7.5
109.10175	40.5
119.04939	12.4
119.08568	12.9
121.10144	24.3
123.11710	31.9
125.09624	8.0
127.03913	10.1
128.06012	6.9
131.08527	13.4
133.10095	15.0
135.11684	8.8
137.05978	53.7
137.09641	8.6
139.11208	8.0
145.10115	14.7
146.05168	6.8
147.04382	16.8
149.09570	6.7
151.03879	9.9
151.07475	15.7
151.14810	20.0
161.05980	16.0
165.09081	14.9
167.06943	15.5
175.07401	11.7
175.14851	7.6
177.05504	8.8
203.06949	9.4
234.93382	7.1
285.09335	30.6
289.25287	13.5
291.89716	7.2
307.26193	29.7
325.27289	9.7
382.32001	6.9
421.08392	7.1
453.24475	27.1
523.21698	8.7
523.28796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.0
55.05506	27.8
57.03424	6.4
57.07051	10.6
61.02896	3.8
65.03926	5.4
67.05501	36.1
69.03421	14.7
69.07059	42.5
69.51162	28.2
71.04978	14.4
73.02904	7.3
79.05489	32.2
81.03409	8.5
81.07049	100.0
82.07359	3.5
83.04971	9.1
83.08602	19.0
85.02894	22.9
85.06524	24.1
86.09702	6.4
86.71435	3.4
90.75298	3.5
91.05476	45.1
93.07036	55.6
94.04169	5.6
95.04958	17.1
95.07995	5.2
95.08594	93.2
97.02864	13.2
97.06522	15.3
97.10152	11.0
99.08077	14.0
103.05420	8.7
103.12135	3.7
105.07020	41.8
107.04925	10.6
107.08574	42.5
109.02875	6.1
109.06493	10.3
109.10135	50.8
111.08047	4.1
111.11720	5.2
113.05977	4.6
113.09637	7.0
117.03371	5.7
117.06988	9.5
119.04946	28.0
119.08583	24.2
121.06500	12.6
121.10123	40.5
122.03623	7.8
123.04443	8.6
123.11673	29.4
125.09522	5.5
127.03923	8.7
127.07543	4.3
129.06985	3.8
131.04907	10.1
131.08539	9.9
133.06488	6.3
133.10158	20.7
135.04381	4.5
135.07986	5.5
135.11661	27.9
137.05966	98.3
137.09598	7.0
137.13223	7.8
138.09065	6.8
139.11200	7.2
141.05400	4.5
145.02840	9.1
145.04851	3.9
145.06470	5.5
145.10114	12.0
147.04385	42.4
147.07942	4.1
147.11668	25.5
148.04758	9.1
149.05910	5.3
149.09637	5.6
149.13232	22.1
151.03889	23.6
151.07539	12.2
151.11205	4.5
153.05356	3.5
153.12801	6.5
155.10643	8.7
156.10214	8.1
159.11702	14.5
161.05954	15.8
161.13246	20.9
163.03831	14.0
163.07542	10.3
163.14803	8.2
165.05449	6.2
165.06943	5.4
165.09019	7.2
167.07025	12.9
167.14384	3.8
170.18282	4.0
173.13278	6.5
175.03905	27.3
175.07555	10.6
175.14818	6.8
177.05466	26.1
177.09134	6.6
177.16347	10.9
179.06979	9.6
181.04967	4.2
181.08585	12.8
187.07480	7.0
187.14674	4.8
189.08968	6.3
189.16354	9.3
193.08592	4.7
195.06534	5.0
203.06958	6.8
207.06470	48.7
209.18893	5.6
213.09268	4.0
230.11739	24.6
248.03041	3.6
257.04614	5.1
271.24152	6.6
277.25195	12.1
285.11194	5.9
289.25293	22.2
295.26425	9.2
307.23022	5.0
307.26190	19.0
317.13931	4.1
325.27325	9.9
331.15506	4.2
343.28513	4.7
356.11783	3.8
523.21570	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	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06846	1.1
53.03943	2.8
53.46077	1.0
55.01868	1.8
55.05272	1.6
55.05508	20.4
55.32350	1.1
55.57377	1.1
57.03434	8.5
57.07072	52.9
67.05501	34.5
69.03414	3.0
69.07062	13.5
69.30849	11.2
69.31268	2.2
71.04988	6.0
71.08626	34.1
77.03917	1.2
79.05064	1.6
79.05489	20.1
79.05923	2.2
81.03413	51.4
81.07050	45.7
83.04977	7.7
83.08614	29.8
85.02899	25.1
85.06529	2.0
85.10176	18.1
91.05473	25.4
93.07026	13.4
95.04964	19.5
95.08603	31.6
97.02875	2.0
97.06534	2.1
97.10175	9.6
99.08105	1.6
105.07018	17.4
107.04964	3.3
107.08587	5.2
109.06503	2.9
109.10151	12.7
111.04398	1.3
111.08071	9.2
111.11735	1.6
113.05962	2.7
115.05463	2.0
117.07056	1.3
118.22723	1.2
119.08572	14.6
121.06510	1.5
121.10122	8.0
123.08065	1.9
123.11690	6.9
129.06992	7.4
131.08563	6.8
133.10092	4.3
137.09596	1.4
137.13269	2.9
142.07761	2.9
147.08047	2.2
147.11682	9.0
149.09612	4.0
157.10106	8.1
165.12738	2.1
175.11162	10.4
193.10429	1.5
193.12233	48.1
211.13272	48.1
239.23665	6.0
239.79576	1.2
267.16003	4.4
313.27335	4.6
505.38834	1.8
523.39911	100.0
524.40381	1.5
542.77661	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
55.01868	1.7
55.05271	1.2
55.05507	18.6
57.03436	8.2
57.07074	50.9
60.85807	0.9
65.03915	1.3
65.47340	0.9
67.05500	31.4
69.03421	1.9
69.07063	14.6
69.96767	2.9
69.97181	2.7
71.04980	4.3
71.08630	36.3
79.05487	20.8
81.03413	44.1
81.07052	43.2
83.04963	9.6
83.08151	1.8
83.08614	29.6
85.02903	24.4
85.06532	2.8
85.10181	16.2
85.30441	0.9
91.05479	21.9
93.07037	14.3
95.04961	18.8
95.08604	32.2
96.08961	1.1
97.02889	1.7
97.06547	2.7
97.10162	10.4
99.08073	1.5
103.86393	0.9
105.06396	1.7
105.07034	20.6
107.04931	4.0
107.08557	5.8
109.06516	4.8
109.10143	14.4
111.04414	2.3
111.08081	7.4
111.11720	1.3
113.05978	2.5
117.06972	1.1
119.08572	12.5
121.10124	5.6
123.08078	2.8
123.11697	6.8
125.09606	1.6
125.13197	1.8
128.06177	1.2
129.06982	9.2
131.08582	9.0
133.06462	4.7
133.10094	6.0
135.11722	1.1
137.05959	5.0
137.13226	3.8
142.07787	2.3
147.08072	3.2
147.11676	11.0
149.09619	4.3
151.14844	1.5
157.10156	9.0
165.09088	10.3
165.12762	3.1
175.11185	12.1
179.10632	2.8
193.12236	50.7
195.61559	1.1
211.13275	49.1
221.22745	0.9
223.62274	1.0
223.64873	0.9
239.23621	7.4
267.15762	5.8
285.59821	1.0
313.27350	6.3
345.67615	1.0
412.80066	1.1
444.91208	1.0
446.49033	1.0
505.38876	4.3
523.39911	100.0
524.40314	2.6
538.79498	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.4
55.01867	1.2
55.05506	11.6
57.03437	6.6
57.06792	1.9
57.07072	38.7
67.05499	21.7
69.03407	2.7
69.06717	1.3
69.07063	10.5
69.79577	3.0
69.80000	2.7
71.04975	3.8
71.08624	26.7
79.05489	14.3
81.03411	36.1
81.07049	31.0
83.04966	4.1
83.08611	24.9
83.22160	0.8
85.02433	1.4
85.02901	17.8
85.06538	1.3
85.10180	15.2
91.05474	16.3
93.07038	9.6
94.24602	1.1
95.04961	14.1
95.08602	27.7
97.02861	1.6
97.06511	1.9
97.10174	7.2
99.08084	1.4
105.07011	10.4
107.04926	3.2
107.08579	3.6
109.06496	2.7
109.10151	13.3
111.08064	7.1
113.06013	1.2
115.05456	1.0
119.08572	11.8
121.10123	6.5
123.11709	6.0
129.07007	5.4
131.08559	6.2
133.06483	2.3
133.10130	6.1
137.13228	1.7
147.08057	3.0
147.11694	8.0
149.09644	3.5
151.14774	1.2
157.10132	7.0
165.12779	1.7
170.72995	1.1
175.11189	10.0
193.12238	49.8
211.13260	53.7
239.23714	6.6
244.23651	0.9
265.76910	1.0
267.15991	6.2
309.31238	0.9
313.27356	6.7
505.38684	2.3
523.39893	100.0
524.40002	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.05503	14.5
57.03436	6.3
57.07069	34.5
57.08411	1.1
65.03906	1.3
67.05494	24.3
69.03425	3.3
69.07054	10.1
69.94581	7.0
70.41846	1.0
71.04982	3.2
71.08620	25.8
79.05483	15.3
80.57443	1.2
81.03411	34.0
81.07044	29.9
83.04975	5.3
83.08607	23.5
85.02893	19.9
85.10172	15.8
88.75565	1.3
91.05461	18.8
93.07022	9.3
95.04958	15.6
95.08052	2.3
95.08597	26.0
97.02866	2.9
97.10170	7.6
105.07014	12.5
107.04956	1.9
107.08573	4.1
109.10140	11.3
111.08075	6.9
113.05982	1.8
119.08585	11.4
121.10147	6.1
123.08035	1.4
123.11685	6.2
125.13261	1.3
125.82938	1.3
129.06978	5.6
130.06831	1.2
131.08537	5.9
133.06448	1.1
133.10124	4.8
135.11696	1.4
137.13251	2.0
142.07782	1.4
147.08020	2.5
147.11664	7.1
149.09563	2.9
149.77092	1.3
157.10104	8.8
165.12750	2.1
172.74132	1.2
175.11218	9.1
193.10435	1.7
193.12222	45.6
211.13261	53.6
239.23634	6.9
267.15918	5.1
313.27338	4.7
505.38715	2.6
523.39880	100.0
524.39954	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	524.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.01861	2.5
55.05506	3.3
57.03419	7.4
57.07066	1.6
61.02914	6.3
67.05499	4.0
69.03416	13.4
69.07066	9.0
69.93105	7.7
71.21421	1.2
73.02906	25.3
79.05478	5.3
81.03397	4.7
81.07050	9.6
83.04963	1.4
83.08595	5.6
85.02899	29.0
87.04483	2.0
91.05463	7.3
93.07033	16.6
95.08599	31.6
97.02884	23.8
97.10133	2.6
99.04468	1.9
105.07014	4.7
107.08585	41.0
109.02882	3.3
109.10147	9.9
115.03958	8.4
119.04936	4.8
119.08556	1.6
121.10131	74.1
123.04417	1.5
123.11697	12.6
127.03898	12.4
133.04956	14.0
133.10117	1.6
135.11682	17.5
137.05945	4.9
137.13257	8.7
139.11156	4.2
139.91312	1.4
145.04948	14.2
146.09930	1.6
147.04387	31.8
149.13213	6.3
152.07961	1.6
163.03918	1.5
163.06009	6.4
165.05478	2.5
177.05391	2.2
177.16368	100.0
181.04939	5.5
195.17429	17.3
200.65160	1.3
223.05952	3.3
229.27051	1.5
232.02492	1.3
232.27594	1.4
241.06960	2.4
259.08136	3.8
295.10086	2.5
299.84714	1.5
309.09805	2.8
482.35370	1.4
498.03378	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3709
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.72820	0.7
52.20620	0.8
54.68387	0.6
55.05498	2.0
55.90298	0.7
56.05020	1.2
57.03432	0.6
57.07067	5.6
58.06601	1.0
60.08156	15.6
67.05490	2.9
69.07050	0.8
71.07354	5.0
71.08633	3.6
71.53185	1.4
77.60578	0.6
79.05488	1.3
81.03413	1.4
81.07047	2.9
83.08611	1.9
84.08949	0.7
85.02905	1.0
85.10178	1.7
86.09692	47.8
91.05489	1.0
92.05730	0.6
93.07046	0.7
95.04977	1.0
95.08579	3.2
98.98470	3.8
104.10728	98.7
107.08590	0.8
109.10124	1.5
117.51550	0.8
122.39186	0.7
124.99992	25.2
147.11656	0.9
149.84561	0.8
163.01627	1.1
184.07314	100.0
185.07693	0.8
185.38361	0.7
193.12151	2.0
197.58168	0.7
212.13605	1.2
258.10950	1.4
309.33395	0.6
326.26108	0.7
341.30368	1.9
506.35876	8.5
524.36890	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	33.9
71.03322	9.6
71.95245	9.0
79.29700	3.6
85.02884	4.6
89.89490	3.8
97.02869	5.1
98.13257	4.1
98.97567	66.5
101.00927	4.5
116.97830	6.3
116.98614	88.7
119.01907	36.7
122.72449	3.6
129.33261	3.8
134.99652	56.5
137.02943	16.8
153.00749	10.9
177.00903	38.9
178.01038	11.8
179.00720	9.5
180.45084	3.9
219.02005	39.8
220.02090	11.0
221.01718	9.9
235.00018	5.4
243.02023	6.5
245.02046	4.1
249.28709	3.9
256.96725	10.4
258.99835	36.4
259.99969	7.9
260.04587	4.0
261.00250	5.2
261.03058	100.0
262.03253	33.6
263.02798	25.0
272.94427	5.8
274.97427	8.8
277.00824	63.4
283.00021	12.5
284.04633	5.6
300.02325	5.5
301.00980	31.5
302.01160	8.3
303.00629	7.6
306.94174	4.2
354.93634	14.2
355.93793	34.7
356.93448	13.7
372.94839	5.9
373.94705	17.8
379.93665	12.3
382.99985	11.2
395.91409	4.1
396.94641	14.4
397.94904	43.3
398.94553	19.1
401.01093	48.5
402.01352	8.2
410.89395	5.7
419.02008	7.1
421.94946	10.7
438.95343	4.9
439.95969	23.1
440.95578	4.8
443.02158	8.4
459.22134	4.8
465.88229	8.6
466.88544	5.0
472.84793	5.1
477.91098	4.9
483.04367	5.0
496.84372	5.0
497.84482	7.2
498.84503	8.2
499.87091	7.0
500.20081	5.6
501.90433	14.8
502.89713	5.7
506.51416	11.2
507.52966	5.8
507.87323	4.5
508.22171	4.4
508.36200	8.5
508.86276	12.5
509.37173	5.8
510.89145	6.2
514.19153	10.8
518.91785	9.7
519.38531	6.0
519.91711	67.2
520.38019	6.0
520.91443	23.8
522.20190	6.2
525.01019	20.9
534.31061	6.4
536.92297	9.1
537.92651	74.0
538.92450	29.7
542.93195	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	525.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01864	2.7
55.05508	15.0
57.03424	3.4
57.07062	1.4
57.18981	0.9
67.05502	22.4
69.07063	10.4
70.72205	2.7
71.04986	2.0
75.04471	0.9
79.05486	16.3
79.05913	1.5
81.03400	1.6
81.07048	21.4
83.04988	2.7
83.08613	6.7
85.06548	2.0
91.05467	15.2
93.07034	15.5
95.04974	3.6
95.08607	14.7
97.06536	2.1
97.10172	3.9
105.07022	14.7
107.04963	1.9
107.08588	6.7
109.10143	8.4
111.08065	1.8
115.05445	2.8
117.07015	11.7
119.08567	13.0
119.09362	1.1
121.10093	4.7
123.08057	2.4
123.11720	1.2
125.09611	1.1
128.06232	4.0
129.06992	13.9
131.08559	14.0
133.10132	6.4
135.11610	1.7
139.11160	1.2
141.06975	8.7
142.07771	4.4
143.08548	17.4
145.10103	11.9
147.07976	1.2
147.11678	3.4
151.39392	0.9
153.06993	3.1
154.07776	3.4
155.08537	21.2
155.09700	1.4
156.09355	2.2
157.10127	18.3
159.11678	6.7
161.13274	1.2
165.07007	3.0
166.07777	1.7
167.08534	8.9
168.09305	3.2
169.10103	21.9
170.10683	0.8
171.11653	13.6
173.11946	1.1
173.13208	4.6
178.07793	1.1
179.08530	5.1
180.09308	2.2
181.10121	14.6
182.10883	2.7
183.11667	16.3
185.09653	1.4
185.13225	8.7
187.14864	2.4
191.08531	1.5
192.09349	1.1
193.10107	6.0
194.10757	1.0
195.11661	13.9
196.12491	1.6
197.09653	1.2
197.13229	15.0
199.14857	4.5
205.10170	1.8
206.10939	1.2
207.11699	5.2
208.12390	1.4
209.13257	12.1
211.11198	1.0
211.14816	7.8
213.16469	1.5
219.11763	2.8
221.13232	6.3
222.13843	0.9
223.14806	9.0
225.12793	0.9
225.16377	2.6
233.13263	2.6
235.14827	4.6
237.16461	3.1
239.14316	1.1
239.17915	2.0
241.15973	1.3
247.14719	2.2
249.16304	2.4
251.14124	0.9
251.18045	1.8
253.15822	0.9
261.16354	1.7
263.17844	1.6
265.19571	2.0
269.18875	1.4
271.16830	1.0
277.19519	1.5
281.19034	1.2
283.17264	1.0
283.20432	1.4
293.19287	1.1
295.20612	2.2
297.22162	1.1
299.20050	1.2
307.20630	1.4
309.21976	2.5
311.20041	1.4
313.21811	1.1
321.22150	3.0
323.20154	1.4
323.23749	1.9
325.21573	1.5
333.22211	1.9
335.23700	3.3
339.23157	2.6
347.23523	1.3
349.21460	1.4
349.25381	1.7
351.23209	1.8
353.24799	3.5
365.24612	1.4
373.25003	1.1
377.24832	1.2
405.31549	1.8
415.30075	10.0
433.31070	28.8
451.32056	16.4
469.33105	5.8
471.32584	2.6
489.33517	3.8
507.34680	16.0
508.35086	1.1
525.35718	100.0
526.36047	2.6
550.03979	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.6
55.05504	8.2
57.07071	67.9
62.68789	2.6
62.75897	2.9
67.05483	10.4
69.03433	3.3
69.07056	9.9
71.08624	57.8
71.52793	3.3
71.53217	3.6
72.08967	4.5
73.06538	3.5
74.34973	2.8
79.05477	4.0
81.03397	5.7
81.07037	10.0
82.03731	4.9
83.08591	8.2
85.02911	3.8
85.10178	37.0
87.04470	3.7
89.05480	6.3
89.06023	100.0
91.05466	7.4
95.04990	3.8
95.08600	9.1
96.08923	4.1
99.11733	10.0
100.34665	3.3
102.78746	2.7
105.07019	6.1
113.13263	6.0
117.09177	3.6
121.10164	3.9
124.77540	3.2
127.08368	2.8
133.08594	62.9
139.11502	3.2
167.60240	3.2
169.33963	2.8
177.11224	24.2
192.56813	3.1
195.12669	4.0
239.14929	3.5
283.17465	4.0
315.28809	4.2
327.20139	19.9
442.47607	3.3
509.40549	14.9
526.40900	23.0
527.37146	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	527.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.6
55.01866	2.0
55.05507	15.7
57.03419	3.0
57.07051	2.3
65.03931	2.2
65.30547	0.9
67.05499	24.8
69.03387	1.1
69.07063	13.2
70.12072	0.8
71.04972	1.4
71.52932	0.9
71.53275	0.9
79.05485	19.8
81.03413	1.7
81.07048	25.2
83.04970	2.4
83.08610	6.6
83.35747	0.9
85.06514	1.3
91.04910	0.9
91.05475	20.8
93.07030	18.7
95.04956	2.1
95.08601	17.7
97.06502	3.3
97.10162	3.5
105.07018	21.0
107.08583	12.2
109.06478	1.6
109.10139	9.7
111.08110	1.0
115.05405	2.0
117.07018	12.7
119.08572	17.3
121.10126	8.4
123.08036	1.2
123.11694	2.6
125.09663	1.8
127.07562	1.0
128.06224	4.5
129.06995	12.4
130.07794	1.4
131.08545	19.8
133.10112	11.2
135.08093	1.3
135.11687	4.0
141.06992	5.2
142.07780	3.3
143.08549	16.9
145.10112	16.7
147.11679	6.3
149.13246	2.4
151.11189	1.1
153.06912	1.2
154.07713	1.6
155.08548	11.6
156.09337	1.8
156.43776	0.9
157.10112	15.0
159.11667	11.8
161.13226	2.7
163.11180	1.3
165.07042	1.1
167.08545	3.0
168.09286	1.7
169.08690	2.0
169.10094	13.5
170.10757	1.0
171.11652	15.9
173.13228	7.1
175.14859	1.0
179.08536	1.7
179.10681	1.3
181.10097	6.2
183.11674	10.5
185.13246	10.5
187.14807	2.3
193.10133	1.9
195.11682	5.4
197.13232	9.3
199.14827	4.6
201.16451	1.6
203.14482	1.1
207.11745	1.6
209.13263	5.5
211.14709	5.4
213.16409	2.6
214.86827	1.1
221.13289	3.2
223.14799	2.5
225.16389	1.4
235.14842	2.1
237.16505	2.1
239.17943	1.5
241.15845	0.9
247.14810	0.9
257.26648	1.1
259.20587	1.6
263.17993	1.8
282.81693	1.0
283.20673	1.8
297.22302	1.2
309.22220	1.7
311.23688	1.2
315.23328	2.8
323.23676	2.1
327.22809	1.1
337.25272	1.8
339.23264	1.3
349.25140	1.0
351.22931	1.0
355.26114	1.2
417.31427	6.7
425.34308	1.2
435.32532	18.1
453.33521	9.8
471.34570	3.1
473.33826	1.0
491.35562	1.5
509.36417	8.2
527.37256	100.0
528.37695	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	527.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67164	1.1
53.03935	1.5
55.01851	1.1
55.05505	14.8
57.03424	3.2
57.07071	2.7
59.04986	1.4
65.03931	1.5
67.05495	31.7
69.03423	1.5
69.07059	14.2
71.04967	1.2
79.05483	23.3
81.03418	1.9
81.07051	33.7
83.04974	3.1
83.08618	6.2
85.06536	1.4
89.06037	1.3
91.05465	23.3
91.06004	1.5
93.07038	22.7
93.38715	1.0
95.04970	3.5
95.08592	25.5
97.06509	2.8
97.10150	5.4
97.51565	0.9
99.08092	1.4
105.07022	26.1
107.08574	13.2
109.06458	1.0
109.10148	7.4
111.08062	1.5
115.05463	1.6
116.06211	1.5
117.07005	13.4
119.07714	0.6
119.08568	18.5
121.10128	8.9
123.08054	2.2
123.11716	2.4
125.09590	1.7
128.06232	4.1
129.06982	14.9
131.08546	26.3
133.10110	12.9
135.10793	1.0
135.11635	4.5
137.09572	1.7
141.06920	5.8
142.07785	3.6
143.08539	18.3
143.09654	1.2
144.09354	1.4
145.10104	17.7
147.11676	7.2
149.13235	1.8
153.06956	1.1
155.08548	12.2
156.09326	3.1
157.10117	15.7
159.11694	13.1
161.09624	1.3
161.13257	2.8
163.11214	1.0
165.06935	0.9
167.08574	4.5
168.09322	1.5
169.10109	13.2
170.10852	1.3
171.11678	17.0
173.13234	9.2
177.12686	1.1
181.10066	5.5
183.11681	14.6
185.13264	10.0
185.69547	1.1
187.14835	3.7
193.10152	1.1
194.10970	1.1
195.11729	5.7
196.12560	1.0
197.13240	8.7
199.14792	5.9
201.16379	1.8
207.11737	1.8
209.13257	4.1
211.14807	4.8
213.16405	3.2
221.13321	2.4
223.14876	3.5
225.16350	2.4
235.14764	1.8
237.16429	2.6
239.17967	1.2
249.16318	1.3
259.20566	2.5
263.17902	1.1
265.19638	1.2
275.20041	1.4
283.20645	2.5
295.20474	1.9
297.22223	2.3
309.21857	1.4
311.23486	1.6
315.23126	1.3
323.23685	1.6
335.23795	1.2
337.25211	1.4
349.25610	1.2
417.31445	6.5
435.32599	19.6
453.33572	10.3
471.34583	4.3
473.34006	1.7
491.35150	2.4
509.36063	9.8
509.61130	1.2
527.37262	100.0
528.37476	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01857	2.8
55.05505	15.0
57.03426	3.1
57.07068	2.1
59.04997	0.8
65.03920	2.0
65.64315	0.8
66.28847	1.0
67.05496	29.5
69.03444	2.0
69.07065	11.3
69.99416	0.7
70.03240	0.7
71.04978	1.7
71.52854	1.4
79.05484	21.5
81.03416	10.4
81.07049	27.2
83.04968	2.9
83.08620	8.7
85.06535	1.2
91.05474	19.6
93.07036	23.0
95.04963	5.0
95.08599	16.7
95.09175	1.6
96.66579	0.8
97.06509	3.0
97.10165	5.4
105.07027	19.8
107.04980	1.4
107.08588	12.6
109.06494	1.4
109.10142	7.1
111.08049	1.7
115.05425	1.8
117.07001	10.9
118.17190	1.0
119.08572	13.0
121.06508	0.8
121.10120	8.4
123.08094	1.1
123.11681	2.2
125.09626	2.8
128.06219	2.7
129.06984	8.8
130.07774	0.9
131.08557	18.6
133.10098	10.9
135.08046	1.6
135.11664	4.7
137.09584	2.0
139.03905	1.8
139.11186	1.2
141.06975	3.0
142.07790	2.1
143.08539	13.2
145.10104	13.4
147.08018	1.1
147.11691	6.0
149.09663	1.2
149.13258	4.2
151.07591	1.3
151.11176	1.4
153.48595	0.9
155.08517	6.5
157.10120	13.4
157.11330	1.4
159.11676	10.7
161.13228	2.3
163.11163	0.8
165.09171	1.4
167.08574	2.5
168.09306	1.0
169.10110	8.9
171.11646	11.1
173.11823	1.4
173.13254	6.6
175.11169	1.7
175.14830	1.5
179.10629	0.9
181.10132	3.7
183.11642	8.3
185.13232	8.6
187.14804	3.6
193.10489	1.5
193.12271	4.9
195.11778	4.0
195.13507	0.8
197.13277	5.1
198.97301	1.0
199.14751	4.9
201.16389	1.4
207.11615	1.3
209.13272	2.6
211.14828	3.1
213.16400	1.9
221.13219	1.5
223.14804	1.4
225.16411	2.4
237.16457	1.5
239.17955	1.3
241.19470	1.4
243.13881	1.1
245.15468	1.3
251.17998	1.1
259.20633	3.0
261.22134	1.6
270.79333	0.9
279.21097	1.3
285.22043	1.0
297.22018	2.0
299.23477	0.9
301.25223	2.0
309.22101	1.3
311.23553	1.6
313.21680	1.1
315.23282	1.4
323.23666	2.0
327.23483	0.9
329.24689	1.9
337.25510	1.2
341.21024	1.2
353.24915	1.0
361.25259	1.0
417.31540	3.5
425.33640	1.0
435.32437	14.1
436.33286	1.2
453.33627	9.0
471.34689	4.9
509.36288	5.9
527.37256	100.0
528.37598	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	4.1
67.05489	11.2
69.07059	18.9
69.92704	22.6
79.05476	11.0
81.07047	100.0
91.05470	4.8
93.07065	7.6
95.08601	5.8
105.07056	7.6
107.08566	5.7
109.10136	26.0
119.08596	4.9
121.06499	14.1
121.10149	4.8
126.67942	3.5
135.08022	6.0
137.05980	6.3
146.07228	6.7
149.05989	19.7
155.08508	4.0
163.07536	19.5
172.08835	9.1
177.05467	17.3
177.09123	12.0
187.11203	4.9
189.09108	11.7
191.07040	6.8
191.10539	9.5
195.10164	9.5
201.09099	9.8
205.08704	6.1
215.10701	33.3
220.01564	4.0
229.08577	9.3
229.12244	12.9
233.08067	32.1
235.09760	5.1
243.10207	38.6
243.13899	5.4
245.15396	5.8
257.11801	6.2
271.16864	36.3
299.16418	31.9
411.18066	33.4
446.99054	4.2
528.37561	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82867	0.9
55.01859	3.4
55.05504	7.3
57.03436	5.1
57.07068	12.0
59.04987	3.6
61.02925	6.1
69.03423	12.5
69.07062	61.9
69.82320	2.6
69.82728	2.1
71.01363	1.2
71.04982	5.2
71.08626	8.6
73.02909	24.1
73.06544	9.1
77.29788	0.9
81.02789	0.8
81.03392	1.2
83.08592	2.7
85.02895	25.5
85.10171	4.4
87.04436	1.3
88.82713	0.8
89.06020	30.3
91.03958	0.9
94.07391	0.8
97.02293	1.4
97.02884	18.8
99.04431	1.3
99.11671	1.2
103.03962	0.9
103.33601	0.8
106.13303	0.8
109.02832	1.9
111.11709	100.0
112.12041	1.0
115.03912	9.9
119.37798	0.8
127.03896	7.0
129.12743	99.8
133.04964	8.5
145.04915	7.9
147.13805	1.0
163.05994	2.4
199.06036	0.8
199.16917	25.2
217.17960	31.1
223.05983	1.6
231.12422	0.9
241.07037	1.6
259.08081	2.6
328.33206	0.8
339.82269	0.9
391.63992	1.1
421.89676	0.9
529.33051	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82948	1.9
53.03932	6.0
55.01850	2.1
55.05500	12.0
57.07067	3.5
65.03915	3.9
67.05501	33.0
69.07061	21.3
70.96291	2.0
71.12047	5.6
79.05487	29.8
81.07050	63.8
83.08598	5.6
91.04900	2.4
91.05473	45.7
93.07047	37.1
95.04965	4.4
95.08601	58.8
97.10138	3.4
103.05438	13.5
105.07026	77.6
107.04910	5.4
107.08590	40.3
108.06563	1.9
109.06499	5.7
109.10156	42.8
115.05449	7.4
116.06203	2.4
117.07009	15.5
119.04939	3.9
119.08568	46.0
121.10126	24.5
121.41969	2.4
122.03635	3.1
123.11672	16.9
128.06210	6.1
129.06982	4.9
131.04903	11.8
131.08553	25.9
132.05693	3.8
133.06514	12.6
133.10123	51.9
135.11682	24.6
137.05966	84.9
137.13264	3.0
143.08527	8.7
144.05635	2.6
145.06487	10.2
145.10123	20.7
146.07254	2.8
147.08026	3.8
147.11673	52.7
148.05151	7.7
149.05942	4.8
149.13257	18.3
151.03882	6.8
151.07527	28.7
155.08498	3.5
157.06520	3.9
157.10051	2.9
158.07324	2.5
159.08041	5.9
159.11676	18.3
160.05145	2.6
161.05959	5.8
161.09579	4.0
161.13228	16.0
163.07530	15.0
163.14735	4.5
165.09100	44.0
171.08022	9.5
173.05867	2.0
173.13229	6.1
175.07513	28.7
175.14777	10.9
176.08282	2.5
177.09102	12.0
177.16382	4.7
179.08632	2.1
179.10692	3.4
179.82864	2.0
183.08020	4.1
185.13184	2.4
186.06818	2.7
187.07555	4.8
187.14847	17.1
188.08278	8.5
189.09116	8.9
189.16365	37.4
191.10666	21.7
191.17944	4.3
195.00339	16.1
195.08038	3.7
197.09650	2.3
199.14828	4.9
200.08266	3.2
201.08977	3.4
201.16377	9.7
203.10669	19.8
203.17938	47.1
205.12288	4.4
205.19421	2.6
207.07965	4.9
208.13171	2.2
209.09703	3.0
213.09097	3.3
215.10634	36.8
217.12267	3.7
217.19476	4.9
221.09769	2.2
225.09108	3.4
227.10500	4.1
229.12234	4.0
229.19681	2.4
231.21063	4.0
235.07512	9.2
239.10637	5.2
241.12154	3.2
241.19473	4.8
243.13780	2.7
243.21071	37.1
247.10973	2.2
249.09052	2.7
253.12274	4.7
267.10156	5.9
267.13718	3.2
269.08185	2.9
269.37823	2.3
273.50595	2.2
279.13910	2.7
281.11682	6.5
281.15277	2.9
282.09018	4.4
282.83801	2.2
297.11392	10.9
299.12762	35.8
301.14410	2.5
307.13281	2.6
311.12784	3.2
313.14352	9.0
325.14328	7.4
327.15881	18.2
327.33823	3.1
335.25977	3.3
337.14395	3.3
339.15982	13.6
351.16132	3.3
353.17581	4.6
363.15823	3.1
363.23114	2.9
365.17450	4.2
365.24643	14.2
377.17374	3.4
379.19165	4.1
391.18970	3.8
405.20432	10.7
405.27927	14.4
473.26462	3.1
529.33032	100.0
530.33624	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	529.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.1
57.03442	0.4
57.07056	0.3
57.22221	0.4
60.70219	0.3
63.53794	0.3
67.05499	1.1
69.03422	0.6
69.07061	1.2
69.39364	2.8
71.04999	0.5
72.02627	0.3
73.02920	0.5
77.71091	0.3
79.05491	0.6
81.03414	0.9
81.07056	1.6
83.04948	0.8
83.08607	0.4
85.02917	0.6
91.05480	0.5
93.07047	1.2
95.08594	1.5
97.02879	0.8
97.06501	0.6
97.10128	0.4
105.07014	1.0
107.08569	1.0
109.02876	0.5
109.06475	0.4
109.10144	1.1
115.49274	0.3
117.06950	0.3
119.08580	0.7
121.10134	1.1
123.08101	0.3
123.11671	0.4
127.03876	0.3
131.08528	0.4
133.10115	0.7
135.11705	0.4
137.05965	0.6
145.10138	0.6
147.11621	0.8
149.13280	0.6
158.10411	0.5
165.09203	0.4
165.12787	0.3
167.07001	0.8
201.38452	0.3
206.98779	0.3
305.24826	0.9
499.32373	2.0
529.33411	100.0
530.33606	2.1
555.10858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
66.16182	0.3
67.05500	0.7
69.03429	1.1
69.07059	2.0
70.56553	1.3
75.35263	0.3
79.05479	1.1
79.33119	0.3
81.03407	0.7
81.07050	1.6
85.02912	0.9
85.06545	0.6
86.83548	0.3
91.05486	0.7
92.32715	0.4
93.07025	1.3
95.04951	0.7
95.08604	1.0
97.02894	0.7
97.10181	0.4
99.04468	0.4
100.69443	0.3
105.07029	1.1
107.08584	0.9
109.02905	0.4
109.06465	0.4
109.10159	0.6
111.11701	1.2
111.24786	0.3
112.12051	0.6
113.16778	0.3
115.17700	0.3
116.78179	0.3
117.42651	0.4
119.08599	0.8
121.06506	0.5
121.10106	1.1
123.04345	0.3
123.11722	0.4
125.05954	0.3
125.09629	0.6
127.03883	0.5
133.10086	0.5
135.11650	0.5
137.05988	0.5
137.09648	0.5
140.63680	0.3
145.10121	0.4
147.04424	0.7
147.11707	0.6
159.11656	0.6
167.07030	0.3
175.11099	0.3
181.05115	0.4
189.16370	0.3
200.17319	0.4
203.05232	9.5
217.17967	0.4
349.27090	6.0
499.32281	0.7
529.33423	100.0
530.33868	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	1.2
53.03933	4.8
55.01852	3.3
55.05270	1.3
55.05508	19.8
57.03439	4.2
57.07054	2.4
65.03919	3.6
66.44254	0.7
67.05498	65.7
69.07064	21.8
70.77284	0.8
71.01881	1.4
71.02203	1.3
71.04968	3.4
71.08639	1.0
77.03893	0.8
79.05485	52.4
81.07047	69.2
83.04967	4.6
83.08607	11.2
85.06528	3.2
85.98308	0.8
91.05470	32.2
93.07033	63.2
95.04962	8.6
95.08598	32.8
97.06525	7.5
97.10168	2.1
99.08067	2.5
99.95981	0.9
105.04532	1.0
105.07025	17.9
107.08579	33.2
108.06584	0.9
109.06508	3.0
109.10159	9.2
111.08096	4.3
111.11695	0.9
113.09628	0.9
115.05459	1.8
117.07014	10.8
119.08575	11.2
121.06512	0.9
121.10130	27.2
123.08039	1.0
123.11684	3.3
129.06966	2.8
131.08549	16.5
133.10107	12.5
135.11682	14.0
139.11171	1.3
143.08524	2.7
145.10097	10.4
147.11642	6.3
149.13245	27.8
155.08553	1.5
157.10103	3.2
159.11679	18.5
161.13261	4.0
163.14731	1.4
169.10124	1.7
171.11699	2.8
173.13271	5.1
175.14836	1.5
177.12741	5.0
178.28906	0.9
183.11667	1.5
185.13254	2.8
187.14789	3.0
189.16280	0.9
195.13806	7.6
196.33221	0.9
199.14694	1.0
202.56802	0.8
210.61871	0.9
213.14780	1.6
227.99435	1.0
243.21077	1.9
261.22141	5.8
276.02594	1.1
317.24582	1.4
340.73529	1.0
419.33289	1.1
437.33984	5.6
455.35196	1.4
473.36340	1.5
511.37744	2.8
529.38837	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	529.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.0
53.03943	5.5
55.01868	2.5
55.05507	22.9
57.03426	4.1
57.07059	2.9
65.03943	3.1
67.05499	75.0
69.03424	1.8
69.07061	21.6
70.65189	2.6
70.65555	1.3
71.04988	4.3
77.03918	1.2
79.05487	53.1
81.03410	2.1
81.07050	72.4
83.04959	4.8
83.08608	12.0
85.06548	2.8
87.04464	1.6
91.05475	31.1
91.06018	2.2
93.07037	70.2
95.04943	7.2
95.08599	35.7
97.06527	9.0
97.10170	3.4
99.08107	3.5
105.04513	1.2
105.07029	20.1
107.08595	35.6
109.06503	2.5
109.10137	9.2
111.08082	4.5
115.05444	1.5
117.07005	10.9
119.08566	16.1
121.06510	2.0
121.10131	26.6
123.08066	1.2
123.11721	3.6
129.07013	3.7
131.08554	17.8
133.10121	16.2
135.11670	10.9
139.11217	1.3
141.06931	1.1
143.08577	5.8
145.10115	11.7
147.11696	6.9
149.09595	1.0
149.13255	25.5
155.08530	1.1
157.10078	4.9
159.11699	15.9
161.13280	4.4
165.12761	1.0
169.10118	1.6
171.11679	4.1
173.13249	6.6
175.14873	2.5
177.12767	4.2
181.10193	1.6
183.11710	2.2
185.13275	3.4
187.14835	3.4
195.13774	7.4
197.13329	1.3
199.14851	1.4
205.46071	0.9
209.13263	1.6
211.14931	1.3
243.21155	1.2
256.26422	4.0
259.20364	1.4
261.22211	4.7
317.24713	1.3
437.34106	5.8
455.35114	3.2
473.36520	1.8
511.37839	3.8
529.38861	100.0
530.39136	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	530.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	0.6
71.40591	1.0
77.58115	0.4
78.04698	1.0
79.05477	0.5
85.02891	1.4
91.05486	1.1
93.07062	0.4
94.04184	2.0
95.04957	0.5
97.02877	0.8
99.04436	0.5
106.04147	0.8
107.04928	0.9
111.08096	0.5
119.04949	0.4
122.03633	4.3
123.04429	3.7
124.05225	1.0
131.04897	0.7
137.05963	98.9
138.06299	1.2
147.04356	0.8
149.05914	0.5
151.07518	0.9
152.04651	1.1
153.05493	0.5
161.05949	0.9
165.06990	1.0
167.07022	100.0
168.07367	1.3
179.07018	1.1
183.08022	1.6
197.07928	0.6
211.07466	1.2
225.08977	0.5
239.07083	0.6
243.10085	1.2
255.10054	0.6
271.09570	1.9
283.09534	1.4
303.12207	8.5
303.15347	0.7
315.12253	6.8
333.13287	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	530.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	7.3
67.05481	5.5
69.07065	28.0
69.14244	3.3
71.19430	3.3
71.32642	9.0
73.30550	3.5
79.05501	7.2
81.07046	10.4
85.67615	3.4
91.05448	10.9
92.04198	3.4
103.05470	3.4
105.07015	15.8
107.08598	3.6
111.11684	9.2
121.06489	58.1
123.11679	10.2
135.08051	23.9
137.06001	4.7
146.07224	8.5
149.05959	100.0
149.09651	4.3
151.07521	29.7
155.91562	3.8
157.50250	4.2
161.09662	4.7
163.07513	41.4
167.07013	7.5
175.07533	11.9
177.05464	86.2
177.09068	14.8
179.10678	10.1
180.07829	4.0
189.09123	16.7
191.07042	26.0
191.10643	30.7
195.06543	12.5
195.10152	56.2
196.43762	4.5
203.07062	5.6
203.10664	10.2
205.08482	4.4
205.12236	30.3
217.08586	13.0
217.12178	20.8
231.10175	5.3
235.09595	5.9
245.11671	10.3
273.15823	2.5
273.18466	68.3
301.17892	4.8
530.38806	9.4
536.13123	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	530.332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36313	1.0
53.03932	3.3
55.01859	2.4
55.05508	15.5
56.54396	1.0
57.03193	1.3
57.03433	15.0
59.04976	1.3
65.03925	1.7
67.05498	24.0
69.03412	4.4
69.07064	6.3
70.74461	3.2
71.04979	3.4
79.05072	1.5
79.05487	21.8
81.03410	63.3
81.06585	1.9
81.07047	28.9
83.04971	15.2
83.08613	21.9
85.02898	21.5
85.06522	2.1
87.68580	0.9
91.05470	30.9
93.07036	18.4
95.04958	23.3
95.08581	8.5
97.02876	3.1
97.06516	4.6
97.10133	3.1
105.07018	25.5
107.04936	5.5
107.08589	4.8
109.06512	6.1
109.10139	2.7
111.04415	3.2
111.08076	9.3
113.05943	1.8
115.05407	1.3
117.06998	2.7
119.04885	1.3
119.08566	19.7
121.06454	2.1
121.10123	8.7
123.08043	2.9
123.11654	1.8
127.07513	1.1
129.06998	11.6
131.08560	10.2
133.06445	3.5
133.10120	11.2
137.05933	1.2
142.07793	2.3
145.10115	2.1
146.84392	1.0
147.08031	2.9
147.11673	15.5
149.09601	5.3
149.10591	0.9
151.07483	1.2
157.10123	14.7
161.10985	0.8
163.11195	0.9
165.09071	1.1
165.12746	3.4
175.11166	16.6
181.18562	1.0
193.12221	60.2
211.13271	100.0
212.13644	1.6
223.79872	1.0
233.84535	0.9
251.00200	1.0
267.15875	26.0
285.16928	79.3
367.22504	1.6
385.23715	1.0
459.27423	8.9
477.28317	11.5
495.29504	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.35
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
67.05494	0.7
69.03409	1.3
69.07041	0.4
71.52688	0.5
79.05480	0.9
81.03395	0.5
81.06645	0.3
81.07037	1.6
83.04950	0.3
85.02888	0.6
85.06539	0.5
89.47227	0.3
91.05463	1.6
93.07036	1.0
95.04924	0.4
95.08588	1.4
96.94118	0.3
97.02878	0.4
99.04416	0.4
102.11775	0.3
105.07024	1.6
107.08581	1.0
109.02885	0.8
109.10149	1.0
119.08558	0.7
121.06459	0.4
121.10120	0.8
123.04471	0.4
123.08071	0.4
127.03909	0.6
133.10144	0.5
135.04424	0.6
135.11664	0.5
137.05992	1.7
137.09604	0.4
145.04916	0.5
145.10109	0.5
147.04384	0.9
147.11714	0.6
149.06052	0.4
159.11678	0.8
161.05991	0.4
163.07471	0.3
165.05478	0.5
167.07034	0.8
173.09540	0.5
175.03806	0.3
177.05458	0.4
203.05240	7.4
207.06479	0.5
215.10771	0.3
235.37570	0.3
245.04651	0.4
245.08025	0.4
283.05588	0.3
309.15399	0.3
317.09494	0.3
346.90173	0.3
351.28680	8.1
369.09641	0.7
369.29581	0.5
369.74551	0.3
531.34979	100.0
532.35345	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	531.3679
Annotation	Holstinone A
Peak:m/z	Relative Intensity
53.03923	5.1
54.51019	3.3
55.01869	4.7
55.05318	2.8
55.05508	32.4
57.03433	17.1
65.03926	4.2
67.05502	68.3
69.07058	20.1
71.04987	5.3
76.00491	3.4
79.05067	4.6
79.05489	48.3
81.03433	3.6
81.07052	61.4
83.04965	10.0
83.08632	8.2
91.05476	49.4
93.07034	62.9
95.04948	7.8
95.08602	47.4
97.06516	8.4
97.10160	7.5
105.07020	48.5
107.08584	48.0
109.06508	5.0
109.10139	24.3
117.07043	23.0
119.08555	43.2
121.06480	4.6
121.10161	16.8
123.11650	5.5
125.09642	3.5
129.06984	15.2
131.08560	38.7
133.10117	42.0
133.56407	3.2
135.11664	38.2
141.07088	3.4
142.07703	3.7
143.08577	23.2
145.06592	4.7
145.10129	40.4
147.11676	32.4
149.13231	6.2
151.07545	6.9
151.11143	5.0
155.08543	9.5
157.10123	24.6
159.11690	33.1
161.13232	25.8
163.11151	7.2
163.14819	4.0
169.10120	15.7
171.11655	24.5
173.13313	22.7
175.14838	9.7
179.08649	3.2
181.12209	7.6
183.11662	11.8
185.13258	14.8
187.14621	7.7
195.11745	4.7
197.13232	12.0
199.13103	4.9
199.14803	16.1
201.16429	5.4
209.13147	4.7
209.59294	4.2
221.13419	3.8
223.14769	7.7
225.16374	4.6
227.17871	4.0
241.19553	13.5
255.15884	28.8
259.20554	35.3
261.22208	8.1
309.21945	5.8
311.24017	4.0
313.21777	4.7
315.23190	8.3
333.24307	8.5
393.31500	8.0
403.29822	7.1
409.31088	6.1
411.32608	11.9
421.31000	27.2
439.31976	16.7
447.34546	4.5
457.33066	16.0
461.21115	4.4
485.36139	7.8
495.34470	7.3
501.35428	9.2
503.37299	31.0
513.35724	100.0
531.29559	5.5
531.36792	54.3
553.03113	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	531.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.01842	7.5
55.02082	1.8
55.05504	22.2
57.03408	6.3
57.07058	4.3
65.03925	5.7
67.05497	98.8
69.03416	5.2
69.07061	23.5
70.70665	2.8
70.70998	4.4
71.04981	9.7
79.05482	59.0
81.03392	3.4
81.07045	88.6
82.07394	2.3
83.04989	10.1
83.08598	8.5
85.06502	6.2
87.04453	6.5
91.04901	3.4
91.05471	68.0
93.07032	76.1
95.04942	11.1
95.08049	2.9
95.08595	31.3
97.06493	5.2
97.10143	3.2
99.04433	5.7
105.07014	63.6
107.07883	3.4
107.08579	59.9
109.06498	7.2
109.10144	86.6
111.08011	2.6
113.05976	3.6
117.07000	7.3
119.08575	16.7
121.10130	25.9
123.11692	16.5
127.07501	6.5
128.15291	1.9
129.06921	2.1
131.08565	16.4
133.10117	100.0
135.08034	2.3
135.11682	15.3
143.08585	2.5
145.10080	6.5
146.65915	1.9
147.11688	11.5
149.13216	7.4
151.11160	59.7
153.12758	2.4
159.11664	6.0
161.09586	2.2
161.13200	5.2
163.14732	4.2
169.12228	15.5
171.11732	2.1
173.13222	6.0
175.14719	3.1
177.16359	1.9
179.10684	4.3
215.12712	6.4
243.21014	6.5
253.14319	86.6
261.22125	25.3
271.15375	5.2
317.24615	6.6
327.83936	2.3
421.31012	2.7
422.04681	2.1
439.32053	6.4
457.32980	4.8
513.35577	12.8
531.37128	96.7
532.37567	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02344	2.4
51.50831	1.9
53.03928	6.9
53.38284	2.0
55.01858	6.7
55.05510	20.9
55.19486	2.0
57.03419	3.6
57.07047	3.1
65.03930	6.8
65.53297	2.0
67.05497	92.3
69.03408	5.6
69.07059	29.4
69.25877	20.0
71.04966	7.0
73.06493	2.3
77.20279	1.8
79.05483	63.5
81.03397	2.3
81.07051	80.2
83.04955	9.5
83.08582	6.4
85.06530	9.8
87.04468	4.5
89.70900	2.1
91.05472	66.4
93.06477	4.3
93.07032	61.2
95.04984	12.2
95.05475	1.7
95.08601	41.0
96.09004	2.5
96.25426	2.3
97.06510	3.8
98.20803	5.0
99.04443	3.9
101.84241	2.0
105.07021	57.8
107.08582	65.3
109.06480	6.5
109.10139	89.1
113.05958	3.9
117.06976	6.8
119.08567	14.9
121.10123	21.6
121.37895	1.9
123.08023	3.0
123.11696	14.4
123.12453	2.2
125.09600	3.9
127.07526	6.1
128.37579	2.0
131.08565	11.7
133.10118	100.0
134.10362	2.4
135.11720	18.0
143.08449	2.2
145.10089	10.7
147.11656	8.8
149.13193	8.1
151.07449	2.1
151.11156	53.6
159.11670	6.8
161.09563	2.6
161.13193	6.8
169.12225	14.8
173.13223	8.5
175.14885	2.5
176.53828	2.0
179.10626	3.1
187.14833	2.3
188.83900	2.3
207.50494	2.4
215.12790	6.3
243.21118	4.8
253.14333	93.8
261.22150	27.9
271.15338	2.9
306.73987	2.1
317.24655	6.9
439.32074	4.0
457.32892	6.8
513.35815	11.6
531.37219	93.9
532.36963	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	533.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
55.79146	0.8
65.03954	0.9
68.99783	5.5
71.52277	0.8
72.23216	0.8
81.03416	1.1
85.02898	1.3
89.03905	1.0
89.92252	0.7
89.96547	0.8
91.05476	1.1
105.03395	0.9
105.07035	0.9
107.04943	2.2
109.02853	1.8
111.00801	3.8
115.05458	1.7
117.03384	1.1
119.04893	1.5
121.02875	1.6
123.04421	9.6
127.03857	1.4
131.04945	1.6
133.02881	1.3
135.04419	4.5
137.02341	27.2
137.03409	2.5
139.03940	0.9
143.04893	1.9
145.02824	1.2
145.06496	2.2
147.04388	5.1
149.02322	4.9
149.05940	0.9
151.03885	1.1
153.01848	5.4
155.04884	2.2
157.06468	1.1
159.04364	1.4
161.02319	5.4
161.05978	2.2
162.03116	0.9
163.03897	19.6
171.04408	1.5
173.05954	4.1
175.03874	4.6
177.05478	2.1
179.03401	2.9
183.04448	2.3
185.05949	2.8
187.03851	2.6
189.05435	2.1
191.07060	2.4
199.03911	1.8
201.05452	8.4
203.03372	9.7
205.04939	1.0
207.02917	4.1
211.04158	1.3
213.05434	5.1
215.03461	1.3
217.04890	1.0
219.06508	1.3
221.04457	1.8
227.03491	1.9
229.04932	11.0
231.06497	3.3
231.08452	1.2
239.03473	1.8
239.08350	0.8
241.04965	3.4
243.06511	0.8
245.04552	2.9
247.05998	81.3
248.06400	0.8
253.05022	0.8
257.04434	2.9
259.05963	1.4
263.06992	1.0
269.04468	5.1
271.05920	1.6
273.03873	1.3
275.05530	4.1
277.08588	1.3
279.06177	0.9
281.69135	0.8
285.03900	3.2
287.05453	100.0
288.05826	1.0
295.05942	1.4
297.03979	1.0
305.08084	1.0
311.05518	1.7
315.06464	1.1
319.05917	1.1
333.07626	1.5
335.05563	0.9
339.09259	0.8
347.05502	0.9
348.06091	0.8
351.08649	1.6
361.07129	3.3
363.08929	1.0
365.06439	2.3
367.08005	2.0
367.97604	1.0
379.08154	7.7
381.09634	5.8
389.06339	1.6
407.07593	39.8
408.08151	1.5
411.07156	2.1
416.46967	0.8
425.18314	0.9
431.07587	1.2
467.15268	1.0
508.26532	0.8
515.09784	7.8
533.10718	40.2
533.22272	2.2
534.11365	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	2.1
68.99780	5.1
71.39462	0.5
71.52005	1.2
79.05422	0.8
81.03366	2.2
85.02879	1.1
86.53529	0.7
89.03892	1.3
91.05463	1.6
103.05455	0.6
105.03392	0.8
107.04903	2.8
109.02834	1.7
111.00797	4.2
111.04424	0.7
111.92780	0.6
115.05413	0.9
117.03362	1.7
119.04936	0.6
121.02796	1.7
123.04415	11.3
127.03864	2.5
129.06932	0.8
129.81761	0.7
131.04872	2.2
131.42070	0.6
133.02873	1.3
133.06407	0.7
135.03566	0.6
135.04407	5.5
137.02321	27.1
137.03380	1.3
137.05939	0.7
139.03873	1.2
139.05280	0.7
143.04942	0.8
145.02806	2.1
145.06454	1.4
147.04396	6.3
149.02336	4.8
149.05936	1.3
151.03802	0.6
151.62035	0.7
153.01787	5.8
155.04855	2.7
157.06453	2.1
159.04375	1.0
161.02318	6.2
161.05891	1.9
163.03882	21.8
171.04308	0.8
173.06021	3.4
175.03844	4.1
175.07538	0.9
177.05374	1.7
179.03346	1.7
183.04411	3.0
184.05182	0.7
185.05928	3.3
187.03922	3.1
189.05417	2.4
191.03355	0.9
191.06993	1.2
197.05988	1.5
199.03868	1.8
201.05444	9.1
203.03377	11.2
203.08559	0.8
205.04857	0.8
207.02841	3.9
211.03836	1.0
213.05420	5.2
215.03378	1.4
215.08913	0.8
217.04932	1.1
219.06360	1.5
221.04333	1.2
227.03413	1.8
227.66435	0.6
229.04953	11.5
231.06371	5.8
235.07483	0.8
239.03302	1.5
241.04820	3.4
243.06674	0.7
245.04349	3.8
247.05992	90.9
248.06273	1.3
251.07074	0.8
253.04901	1.1
255.06355	1.3
257.04395	3.2
258.05139	0.7
259.05936	2.2
263.07013	1.4
269.04349	4.4
271.05801	1.4
273.03842	1.5
275.05179	3.8
277.08481	0.9
281.08029	0.8
283.05893	0.7
285.03802	4.6
287.05444	100.0
288.05722	1.5
297.03860	1.2
299.05420	0.8
305.08044	1.0
311.05521	2.0
315.06546	0.8
319.06036	1.2
323.09189	1.0
333.07660	2.9
335.05377	1.3
337.06879	1.0
351.08560	2.8
361.07086	3.7
363.08652	1.0
365.06448	2.2
367.08163	3.2
379.08084	9.7
381.09656	4.5
389.06549	1.4
407.07565	41.2
408.08401	1.4
411.07159	2.8
427.40161	0.7
431.07394	1.0
497.08566	0.8
515.09680	8.4
533.10712	42.9
533.22180	1.4
534.11237	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53516	1.1
67.05479	3.2
69.07053	1.3
69.43416	5.3
69.43843	5.6
74.68781	1.2
79.05459	1.8
81.07059	3.5
83.30949	1.5
93.07043	3.6
95.08592	2.3
98.20747	1.9
100.78981	1.3
105.07032	1.5
109.10123	1.4
111.64706	1.2
119.08572	2.3
122.19481	1.1
132.51509	1.3
133.10127	1.4
135.11746	1.5
151.07553	1.8
153.05493	3.3
177.05449	1.7
189.09099	1.4
199.98715	1.2
223.71867	1.4
257.66663	1.5
339.15659	35.5
370.70486	1.3
427.66852	1.5
515.37177	2.0
533.25110	100.0
533.33875	3.5
534.25500	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	533.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93007	1.3
52.82893	1.2
53.69191	1.3
55.05512	2.2
67.05493	6.1
71.52833	2.5
79.05465	7.3
81.07046	5.9
91.05466	5.5
93.07039	7.0
94.42208	1.4
95.04964	2.6
95.08591	2.6
105.07051	6.7
107.04967	3.3
107.08551	2.2
109.06520	2.3
109.10128	2.7
115.05434	1.9
117.06979	2.7
117.24770	1.8
119.04988	1.9
119.08528	1.4
121.06481	3.1
123.04383	1.9
123.08083	1.3
123.11709	1.8
129.06950	1.6
131.04942	2.2
131.08554	2.7
133.10129	2.5
135.04398	1.8
135.11679	1.4
136.05157	2.7
136.12094	1.5
137.05949	4.5
138.06744	4.1
139.07524	1.6
141.07004	1.6
142.07774	3.1
143.08551	2.4
144.05727	1.7
145.06502	2.4
146.07248	3.2
147.11655	1.7
151.07515	26.0
155.08508	1.8
157.06464	2.5
157.10129	1.8
158.07397	1.5
159.08037	4.3
159.11644	1.8
161.05983	5.1
165.05478	5.6
165.09070	8.1
167.06927	1.6
167.08467	1.8
169.06468	2.6
170.07300	2.6
171.08031	5.6
172.08723	1.4
173.05829	1.5
173.09677	2.6
174.06758	2.7
175.07559	2.9
176.08257	7.9
177.09082	3.8
179.08562	1.8
179.10643	1.6
183.08012	2.2
184.08821	3.4
185.09627	4.9
186.10403	4.7
187.07520	12.4
188.08316	5.2
189.09088	9.2
191.10663	4.3
195.08043	2.1
196.08882	1.8
197.09628	5.7
199.07545	4.9
200.08278	2.6
201.09105	8.2
202.09859	100.0
203.10660	2.9
209.09586	2.4
210.10336	2.6
211.07462	2.9
211.11133	3.2
212.08269	1.8
212.11906	4.8
213.09071	4.8
214.09802	2.7
215.06976	2.0
215.10641	15.5
216.11412	7.6
217.08685	2.7
217.12196	51.3
226.09824	2.5
227.10570	2.6
228.11476	7.2
230.09419	4.0
231.10037	2.2
233.11739	1.8
237.08978	1.6
238.09863	2.0
239.10611	1.8
241.12296	7.5
243.10173	4.0
243.13766	24.3
243.20836	1.4
245.11810	7.2
247.13304	4.1
250.09865	1.7
253.12103	2.1
257.11789	3.9
259.13269	91.5
261.12653	1.7
261.22046	2.9
262.22479	4.2
269.11719	3.4
273.11133	10.8
277.12347	2.8
287.12738	28.0
292.10922	1.9
295.13367	2.6
306.12549	1.6
311.12762	2.2
320.13864	2.0
321.14908	3.5
323.12866	6.7
337.14264	3.4
341.15204	1.5
353.17273	1.7
355.15421	5.6
377.17465	3.2
395.18243	5.6
473.23254	2.8
479.94836	1.6
501.22711	6.7
515.24084	4.6
533.25415	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2565
Annotation	Bistratamide F
Peak:m/z	Relative Intensity
55.05501	0.7
57.07079	0.8
61.02937	0.4
67.05499	0.6
69.03416	1.2
69.07045	0.9
69.42622	1.9
69.43039	0.8
71.04995	0.4
73.02902	0.7
79.05495	0.4
81.03406	0.6
81.07061	1.1
83.08625	0.3
85.02898	1.1
85.06522	0.4
91.05471	0.9
93.07042	1.0
95.04993	0.4
95.08595	1.6
97.02895	0.8
97.06471	0.6
97.10126	0.3
99.04436	0.5
99.15596	0.3
103.77940	0.3
105.07022	0.8
106.49529	0.4
107.08593	1.1
109.02881	0.4
109.06499	0.3
109.10162	0.4
117.03452	0.4
117.07030	0.4
119.08577	0.6
121.02834	0.4
121.10112	0.4
123.04405	0.4
127.03938	0.5
133.10110	0.8
135.04251	0.3
137.05948	1.8
145.02841	0.6
147.04434	0.8
147.11650	0.6
149.05986	0.5
149.13258	0.4
159.11623	0.4
161.05977	0.5
163.03900	0.3
165.05482	1.3
167.07088	0.9
175.03883	0.4
177.05478	1.2
187.11299	0.4
191.07101	0.5
203.05251	0.4
207.06480	0.7
213.56256	0.3
253.78590	0.4
265.70593	0.3
275.07367	0.8
287.05493	3.6
313.16071	2.8
315.04984	2.1
317.08356	1.4
333.08047	0.4
335.09409	3.9
346.29468	0.3
371.11295	1.4
371.21869	0.4
401.21643	1.4
445.20416	29.4
446.20721	0.5
533.25653	100.0
534.25690	2.2
558.49347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.6
55.85979	2.8
67.05491	5.6
69.07061	6.4
69.35085	21.0
69.35497	4.4
79.05481	4.2
81.07029	10.3
83.72646	2.4
86.22610	2.5
90.21444	2.5
91.05462	9.2
91.39924	2.5
91.99187	2.7
93.07011	2.8
95.08600	4.4
98.20774	4.2
105.07008	4.7
109.10167	5.1
116.06194	3.0
119.08516	3.9
123.11678	3.5
128.06238	3.4
129.92668	2.7
131.08530	3.3
144.05701	7.6
147.08009	3.6
151.07527	8.7
159.08041	47.6
165.09053	9.4
172.96658	2.9
179.10617	4.1
187.07536	74.4
187.11092	3.3
189.09076	18.7
191.10744	3.1
203.10722	6.4
205.12192	3.6
215.07028	33.1
215.10551	5.3
217.12306	6.6
219.13756	6.8
229.12195	5.0
231.13803	5.9
233.08075	100.0
233.15355	4.1
240.15593	2.4
243.13722	3.4
245.15363	14.1
288.11316	3.1
299.20087	3.2
305.11819	3.3
313.83948	2.6
313.87985	3.0
317.11261	2.8
331.13190	8.9
333.11343	6.3
346.15057	3.0
354.43359	2.7
363.15915	16.9
381.17188	3.9
409.16367	15.6
487.28305	10.3
533.28162	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	534.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.4
58.06616	0.7
60.08155	6.3
66.34194	0.2
67.05489	0.5
67.65982	0.3
68.84137	0.2
69.07043	0.4
71.07030	0.3
71.07365	3.1
71.52413	0.3
79.05484	0.6
81.07033	0.7
86.09695	29.2
91.05452	0.8
93.07027	0.7
95.08599	0.8
98.98458	2.9
104.10735	3.1
105.07017	0.5
109.10146	0.3
119.08553	0.4
123.11749	0.3
124.99992	21.1
134.06894	0.2
137.05949	0.7
143.01028	0.4
161.41687	0.2
165.09094	0.4
177.05360	0.3
184.07320	100.0
359.05963	0.2
478.76141	0.3
498.29910	0.6
516.30756	3.4
524.43420	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19170	1.1
52.17515	1.1
53.03930	2.1
55.01860	3.1
55.05505	7.0
55.59623	1.0
57.03418	7.9
57.07063	2.9
59.04976	1.4
61.02900	6.0
67.05502	13.9
69.03416	16.1
69.07059	12.7
69.69037	3.0
69.69451	3.8
71.01328	1.5
73.02908	27.8
79.05483	16.7
81.03399	3.8
81.07043	100.0
83.04966	1.1
83.08605	3.6
85.02894	45.3
86.09689	3.8
87.04449	3.8
87.62482	1.0
91.03937	1.3
91.05449	7.0
93.07034	26.0
95.04970	1.9
95.08595	37.1
97.02876	33.2
97.10153	1.8
99.04436	1.9
101.76252	1.0
103.03924	2.5
104.10734	2.8
105.07013	3.0
107.08581	20.0
108.08907	1.2
109.02880	4.3
109.10143	24.1
111.11710	1.6
115.03915	17.4
119.08576	2.2
121.06513	1.2
121.10126	45.6
123.04442	1.1
123.11691	12.3
124.99958	2.4
127.03898	15.2
132.06599	1.0
133.04944	21.7
135.11670	13.7
137.05997	2.1
137.13242	7.5
139.03903	2.1
145.04945	24.3
149.13228	23.8
149.14375	1.6
150.07623	3.6
151.07523	3.9
163.06018	10.0
163.07315	1.9
163.14861	2.1
165.05455	1.7
175.05806	1.0
179.10666	1.8
180.08807	1.0
181.04890	1.3
184.07294	9.5
199.06012	1.2
204.22092	1.0
205.19476	10.8
216.13370	1.1
217.07133	1.6
223.06035	4.9
241.06969	4.9
259.07959	6.2
277.09027	2.5
295.10007	3.5
550.31226	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.05505	5.8
55.52949	0.4
56.04830	0.4
56.05035	4.2
57.07067	2.9
58.06570	0.6
60.04523	3.8
65.03899	0.5
67.04239	0.8
67.05498	12.4
67.59745	0.4
68.04997	1.4
69.07065	7.1
70.06563	1.3
70.66026	1.1
71.08607	1.5
78.75089	0.5
79.05486	8.7
80.05014	3.5
81.05776	1.5
81.06588	0.9
81.07050	11.2
82.06578	7.0
83.08616	3.6
84.08144	0.5
85.10139	0.4
85.61472	0.5
91.05476	8.8
93.07038	9.0
94.06561	15.4
95.04964	1.1
95.07345	7.9
95.08599	7.7
96.08125	4.3
97.06527	0.6
97.10172	2.5
98.06065	0.6
105.07032	4.3
107.08575	5.7
108.08091	2.9
109.10126	3.2
110.09673	0.6
119.08568	4.8
120.13735	0.5
121.08854	0.7
121.09261	0.5
121.10122	5.4
122.09638	1.9
123.11686	1.6
130.36415	0.5
133.10086	3.8
134.09628	0.5
135.10577	0.8
135.11671	3.5
142.79468	0.6
147.11638	1.5
149.13258	1.1
153.83467	0.5
159.73499	0.5
161.13232	1.0
163.14885	0.8
179.17976	0.5
191.17953	0.6
193.19493	0.5
219.21094	1.0
233.22624	5.3
234.22150	0.5
245.22653	4.8
250.25293	9.7
254.24698	1.0
260.23721	0.6
262.25278	100.0
263.25629	1.6
272.25806	5.5
280.26349	11.7
311.29672	0.5
350.30545	0.5
486.46634	0.6
504.47610	3.9
516.47705	8.8
517.61768	0.5
534.48895	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	535.1082
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03944	2.0
55.01870	1.9
55.50889	0.3
57.03421	0.9
60.80527	0.3
61.02914	1.4
66.75478	0.2
68.99778	1.5
69.03090	0.4
69.03429	6.5
70.85886	0.6
71.04974	1.0
71.38710	0.3
73.02922	1.2
75.67002	0.2
81.03417	7.1
85.02900	11.5
87.00821	4.4
91.03928	0.3
97.02301	0.3
97.02887	3.8
98.20857	0.3
99.04450	2.2
105.01869	2.3
105.03387	0.5
106.93800	0.3
107.04962	0.6
109.02879	5.4
111.00768	0.7
117.01846	1.0
121.02840	2.9
127.03912	9.2
129.01813	0.9
133.02875	0.4
135.04414	0.3
137.02322	0.7
141.01834	0.2
143.04689	0.3
145.04924	3.4
147.02873	0.6
147.04402	0.7
153.01826	3.5
157.06406	0.4
159.02893	3.9
161.02138	0.3
165.01836	1.3
183.02864	0.8
184.36845	0.3
185.05954	0.4
213.05428	0.9
231.04868	0.8
231.06776	0.5
241.04893	0.7
258.05258	0.9
259.06207	0.3
287.05478	100.0
288.05832	1.1
329.06592	0.5
409.37192	0.3
535.20966	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.6
55.05490	2.6
67.05503	2.5
69.03424	29.1
69.07061	2.5
71.52686	2.8
79.05492	5.0
81.03415	3.1
81.07048	4.0
86.39182	1.9
87.04452	2.9
91.05466	21.5
93.07031	4.7
95.04948	7.2
95.08594	3.2
103.05456	18.2
103.76180	1.6
105.07024	8.3
107.04939	19.6
107.08585	5.1
108.05748	2.8
109.06519	3.7
109.10133	3.8
111.04354	2.0
115.05443	4.1
117.06979	3.8
119.04938	6.0
119.08601	2.8
121.06490	8.7
121.10150	2.8
122.03638	3.3
123.04474	1.8
123.11634	2.1
127.03862	1.9
128.06212	3.3
129.07033	4.4
131.04912	12.5
131.08557	1.8
132.05693	2.5
133.06480	5.1
133.10139	2.8
135.04420	4.1
135.08020	6.3
135.11688	2.7
136.05167	11.9
137.05980	33.2
138.06755	5.8
139.07538	2.7
141.06984	2.6
143.04846	2.2
144.05724	2.5
145.06473	6.1
146.07277	2.1
147.04379	1.9
147.08037	10.5
147.11652	2.0
148.05190	3.4
148.08791	4.2
149.06012	8.6
151.03926	11.3
151.07538	100.0
153.06979	1.7
155.04922	3.8
159.08015	6.6
161.05991	4.7
162.06607	1.6
163.07516	25.1
164.08315	15.3
165.05464	3.8
165.09091	8.7
167.05685	2.2
167.07059	4.1
172.05103	4.0
173.06018	10.1
173.07460	1.7
174.06668	2.7
175.03940	2.3
175.07574	5.5
177.05478	3.8
177.09195	2.7
178.09888	16.8
179.10660	96.0
183.04381	3.9
187.07520	16.7
188.08368	4.9
189.09180	3.8
191.07027	3.3
200.04686	2.7
201.05417	2.2
203.10696	6.7
207.06476	3.7
215.07019	19.7
218.05630	10.3
219.08060	3.7
225.09084	2.4
227.10651	2.1
233.08058	25.0
235.07523	3.7
237.09135	2.3
247.07468	3.2
249.11258	4.1
251.10757	2.2
253.08531	3.0
264.08038	2.4
265.12097	2.8
273.11179	6.5
278.09305	3.3
279.10065	5.1
285.11301	4.4
293.11740	6.4
295.09708	2.7
297.11255	4.5
299.06107	2.1
307.09583	2.6
310.12018	3.0
311.12677	7.0
321.11014	4.0
325.14294	9.1
338.27478	4.8
339.12299	15.3
357.13260	7.8
433.16440	14.2
449.19562	7.0
517.22821	2.0
535.23138	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27758	0.6
57.19666	0.6
64.29287	0.6
70.84863	1.6
71.23326	0.6
91.05441	0.9
105.81179	0.7
124.15393	0.6
137.01289	0.6
193.12233	1.1
217.04771	3.6
217.08421	1.2
251.38304	0.6
253.55994	0.7
341.17203	46.0
342.17694	0.8
355.76114	0.6
411.13879	0.7
466.19412	1.4
535.26648	100.0
535.39941	2.4
536.26892	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	535.2875
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
54.31213	0.5
55.05502	0.7
57.03429	0.8
58.43409	0.6
67.05508	1.6
69.03400	0.7
69.07056	1.1
69.78678	3.1
77.40913	0.5
79.05467	1.5
81.03405	1.8
81.07042	2.5
83.04930	1.0
85.02911	3.1
86.09708	1.0
91.05470	1.7
93.07035	1.7
93.27122	0.5
95.04955	1.5
95.08612	1.3
98.20842	0.9
103.05461	0.9
105.07021	1.9
107.04971	0.7
107.08553	1.1
109.10134	0.7
111.04412	0.7
117.06980	0.7
119.08508	0.8
121.10135	0.8
129.06996	1.0
131.08601	0.8
133.06462	0.7
133.10097	0.8
137.05954	2.5
147.04515	0.6
148.99393	0.6
151.03859	1.1
151.07555	3.0
154.19124	0.7
161.05978	0.7
165.05467	5.1
167.07050	1.1
175.07507	1.4
177.05389	1.3
178.13771	0.6
181.08687	0.5
184.07249	3.6
185.07582	0.7
189.09154	0.8
193.12289	1.2
211.13272	0.9
217.08546	1.1
251.12531	7.7
285.16959	1.0
307.15146	7.5
315.23175	0.7
495.71149	0.7
535.28723	100.0
536.28931	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94412	0.5
60.40461	0.5
65.03941	1.0
69.03426	72.4
69.70252	3.3
73.04752	0.6
73.16428	0.5
77.03945	0.6
77.69258	0.5
79.05495	0.6
79.48686	0.5
81.07069	0.7
86.09708	0.8
91.05457	18.6
93.07064	0.8
95.04968	3.4
95.66973	0.5
98.21541	0.6
101.69744	0.5
103.05459	1.2
105.07015	1.7
105.95082	0.5
107.04942	1.5
108.05748	0.9
115.05408	0.7
119.04104	1.1
119.04936	15.2
121.06473	1.1
123.08080	0.8
131.04909	0.7
132.05716	1.6
133.06468	1.4
135.04395	1.1
135.08012	0.8
136.05190	3.3
137.05937	2.9
138.06749	0.7
139.07643	0.8
145.02814	1.1
147.04378	0.6
147.08087	1.0
148.05190	3.1
149.05978	1.3
150.06804	1.1
151.07535	100.0
152.07877	1.2
157.06444	0.7
158.07294	1.4
159.08023	1.6
160.05212	1.3
161.05936	0.6
163.07545	8.3
164.08394	0.6
165.05470	4.2
165.09122	2.3
167.05600	1.4
168.10197	15.9
172.08884	1.6
173.05971	1.0
174.10391	1.3
175.07526	3.3
176.04681	1.5
176.08276	0.7
177.05489	1.3
179.10678	7.8
184.07301	1.4
188.08255	3.9
189.09094	1.8
190.09917	4.3
191.07021	52.8
192.07346	0.9
194.08119	5.8
203.10666	9.2
205.12267	5.5
219.10141	2.9
231.10168	3.5
236.12799	37.5
299.06253	2.8
344.97672	0.6
358.16425	2.7
369.16858	1.5
398.19687	2.9
415.03336	0.7
536.26782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01856	1.8
55.05510	5.1
57.07062	2.2
57.62090	0.5
60.62511	0.5
61.55383	0.5
64.13826	0.6
65.03954	0.7
67.05508	7.4
69.03419	2.3
69.06730	0.9
69.07067	11.6
71.04981	1.4
71.08630	1.4
71.52599	1.0
74.36304	0.7
79.05065	0.9
79.05489	8.4
81.03394	1.5
81.06587	1.3
81.07051	21.6
83.04951	1.5
83.08621	7.6
85.02901	3.7
85.06541	2.0
87.04455	0.6
91.05425	4.5
93.07040	8.4
95.04953	2.9
95.08601	10.2
96.27514	0.6
97.02878	1.7
97.06531	4.2
97.10181	5.2
99.04453	1.0
101.06010	0.6
103.05448	1.2
103.50170	0.5
105.07030	5.6
107.04957	1.7
107.08586	20.0
109.02872	0.6
109.06490	2.2
109.09470	1.0
109.10153	14.0
111.04455	1.3
111.08101	2.2
115.05435	0.9
117.07030	1.8
119.08563	2.7
121.06461	1.5
121.10137	5.4
123.04427	0.8
123.08078	1.7
123.11714	3.6
125.05918	0.7
125.09606	6.2
127.03850	1.7
129.06961	1.1
131.04951	0.9
131.08568	1.5
133.10110	2.2
135.04425	0.8
135.08049	10.8
135.11687	2.3
137.06000	4.2
137.09602	7.2
137.13240	2.0
138.06325	0.8
145.02849	0.9
145.10132	2.4
147.04422	2.0
147.08115	0.9
147.11685	1.5
149.02373	1.4
149.06006	0.7
149.09615	0.9
149.13269	3.9
151.03888	0.8
151.07541	1.9
153.09109	4.4
158.46530	0.6
159.08037	2.1
159.11665	1.2
161.05977	1.1
161.13254	1.5
163.07558	2.6
163.11157	1.6
163.14793	0.7
165.05373	0.8
165.09128	1.0
167.05605	1.9
167.07085	2.5
167.10683	0.6
167.14363	0.9
171.10123	0.8
173.09595	1.1
173.13237	0.9
177.05505	1.9
177.16289	0.8
178.46515	0.6
181.08612	1.2
191.06982	1.2
191.10666	1.5
191.14339	0.7
192.19299	0.7
193.08575	0.7
195.10043	0.7
199.09636	2.0
201.16501	0.7
209.19035	0.8
225.18568	0.9
232.95892	0.8
239.09416	0.9
242.56316	0.7
257.22580	0.8
275.23682	1.7
283.03201	0.7
283.09427	0.9
285.22009	0.9
293.24686	2.3
299.06332	3.7
303.23199	2.9
321.24197	4.5
339.25281	100.0
340.25671	1.9
536.19482	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.6
55.05501	25.4
55.36850	4.9
57.07063	16.7
67.05499	37.5
69.03422	10.2
69.07056	54.1
69.74712	24.7
69.75132	15.5
76.44270	5.7
77.03996	5.7
79.05500	10.6
81.03416	9.9
81.07050	79.2
83.04946	7.4
83.08621	40.8
84.53207	5.0
85.02891	8.4
85.06516	6.7
91.05494	17.6
93.07021	28.6
95.04958	8.6
95.08604	94.1
96.08916	6.5
97.06527	7.5
97.10143	26.9
99.63512	6.6
105.07021	22.5
107.08592	26.1
109.02864	8.9
109.06510	5.9
109.10155	54.3
111.11707	25.9
115.07515	10.2
119.04903	7.0
119.08556	15.8
121.06496	11.7
121.10135	37.0
123.11693	36.7
125.13269	15.5
127.03896	6.6
131.08549	7.3
133.02823	6.1
133.06479	5.7
133.10164	12.4
135.08049	8.6
135.11697	16.3
137.05951	36.9
137.09592	9.0
137.13245	21.2
141.09126	6.7
145.10132	13.2
147.04381	18.5
147.11691	19.6
149.09573	6.3
149.13255	11.3
151.07481	16.1
151.11174	10.7
151.14821	10.3
153.08986	8.6
155.10599	13.2
159.11617	6.5
161.06015	12.2
161.13170	7.0
163.07549	7.6
165.05353	7.1
165.12738	17.3
165.16458	6.1
167.05534	14.5
167.06963	13.4
173.13283	11.7
174.79439	5.4
175.07526	7.7
175.14893	6.9
177.09085	11.8
177.12772	7.0
179.14378	8.6
179.17906	8.3
181.12292	10.8
183.13725	12.8
191.14285	16.1
193.19495	7.9
195.10187	8.3
195.13800	15.4
197.15294	9.7
203.18030	8.8
205.15932	6.6
209.15294	7.5
211.17001	9.9
212.08263	5.8
215.17953	7.8
237.18436	7.1
247.20619	8.7
251.20009	9.6
265.21658	23.0
285.25797	20.4
299.06241	26.9
303.26636	32.1
319.23004	6.8
321.24475	9.7
321.27899	100.0
344.97592	10.1
390.44800	6.8
429.60416	6.7
478.67664	6.2
536.21429	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	537.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	2.4
57.03426	1.5
60.24508	1.3
65.03918	2.3
67.04243	1.6
67.05500	2.7
70.97469	3.2
70.97802	3.0
79.05482	8.1
81.03394	1.6
81.07070	1.7
90.46006	1.6
91.05466	19.3
93.07027	4.6
94.04198	1.5
95.04947	5.6
103.05447	22.8
105.07026	10.7
107.04943	40.6
108.05241	3.9
115.05453	4.8
117.06920	2.2
119.04913	9.4
119.08577	2.3
121.06496	7.0
122.03601	3.0
128.06194	2.0
129.07008	2.4
131.04916	13.1
133.06471	6.2
134.07228	3.5
135.04451	3.4
135.08003	9.0
136.05170	3.6
137.05954	30.9
137.06940	2.3
145.06438	5.7
146.07271	2.4
147.04411	4.6
148.05112	3.7
149.05960	6.2
150.06723	10.9
151.03908	11.2
151.07536	100.0
152.08015	1.7
157.06479	3.3
159.07988	3.4
160.08800	2.0
161.05960	6.3
163.04012	1.6
163.07535	54.0
164.08052	14.5
165.05527	2.4
165.06927	3.6
165.09100	60.3
173.06029	2.2
174.06769	3.0
175.07536	9.9
177.09167	2.1
179.06982	2.6
179.10632	4.2
180.07788	1.9
181.08501	2.1
188.08401	2.2
189.09099	12.2
191.10683	3.2
193.08604	2.9
194.09355	3.1
195.10056	2.2
198.06871	1.9
199.11388	1.8
201.09056	2.3
202.09839	2.8
203.10585	3.3
205.01776	1.6
211.02837	2.8
217.12201	4.2
219.07999	2.6
219.10056	2.4
221.09691	3.0
223.02792	6.5
224.03502	22.1
225.03865	3.8
225.08975	2.8
235.07610	3.5
236.08214	1.7
239.10870	1.9
241.03783	2.1
242.04543	9.2
251.10570	2.3
253.08470	2.3
262.09845	2.5
265.08636	2.2
265.12296	1.6
267.10187	2.3
271.09576	2.0
273.11227	7.6
279.10077	4.0
281.11804	2.7
282.08997	2.0
285.11292	4.2
286.11908	3.3
293.11679	3.6
294.12442	3.5
295.09723	2.2
297.11243	3.6
299.12723	6.2
300.06165	2.2
310.11908	5.5
311.12704	5.6
313.14294	8.8
325.14383	11.2
331.08563	2.1
342.14569	6.5
346.13208	2.4
346.63528	4.2
383.11536	2.1
384.11877	3.0
386.10281	3.0
401.12732	4.7
402.13367	3.8
413.19254	2.8
448.18814	7.2
449.19504	6.9
503.24243	2.7
537.23425	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	537.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.2
57.19879	0.7
65.03912	1.6
71.53066	1.6
73.96705	0.7
79.05503	6.0
81.07040	0.9
85.34641	0.8
91.05463	18.8
93.06979	1.2
94.04162	2.6
95.04938	3.9
97.06500	1.0
103.04797	1.8
103.05463	33.2
105.07010	9.8
107.04942	11.5
108.05720	2.0
109.06501	2.4
109.10118	0.9
115.05434	3.8
116.06217	1.3
117.06989	5.3
118.04144	1.9
119.04922	10.0
120.05673	1.5
121.06512	6.6
122.03628	2.9
123.04410	1.7
128.06221	3.1
129.07018	5.4
131.04921	17.1
131.08543	0.9
132.05695	2.4
133.06477	6.7
134.07217	2.6
135.04402	7.9
135.08052	5.8
136.05209	5.2
137.05966	38.7
138.06725	2.0
143.04909	1.8
143.08502	1.3
144.05676	1.6
145.06482	6.9
146.07175	2.1
147.04413	4.6
147.08020	4.7
148.05174	6.0
149.05983	6.8
150.06754	23.0
151.03946	4.9
151.07529	100.0
152.07779	1.5
157.06479	3.9
158.07210	1.6
159.08054	4.1
160.05170	1.5
160.08792	2.0
161.05965	7.8
161.09563	1.9
162.06740	3.9
163.07526	31.5
164.08313	6.4
165.05458	2.5
165.06879	1.9
165.09103	77.0
167.07014	2.4
171.08069	1.7
173.05936	1.1
174.06718	5.4
175.07518	14.2
176.08287	2.8
177.05432	1.9
177.09065	4.4
178.07654	1.1
178.09854	2.0
179.07085	1.4
179.08517	1.5
179.10677	6.1
181.06473	1.7
181.10043	0.8
183.07977	2.0
185.09506	1.0
187.07498	3.0
188.08362	1.8
189.09088	21.9
190.09850	1.4
191.06998	1.9
191.08580	0.9
191.10638	2.7
193.06657	1.1
193.08548	3.5
193.10143	1.2
193.12187	1.0
194.09367	5.0
195.07985	1.4
195.10074	2.5
197.09721	1.1
199.07512	2.9
200.08282	1.1
201.05536	1.1
201.09013	1.9
202.09792	1.2
203.08768	1.3
203.10579	4.4
203.17581	0.9
204.07787	1.4
207.08099	1.2
207.10121	3.3
208.08745	2.0
209.09499	1.3
211.07574	1.8
213.09041	1.7
215.10513	1.3
217.08649	1.0
217.12207	3.2
218.07387	1.7
219.08035	2.6
219.10045	1.2
221.05930	1.2
221.09718	1.4
223.07576	1.9
224.08289	1.6
225.09097	3.3
226.09856	1.4
227.07001	1.5
233.09631	1.3
235.07516	5.0
236.08272	1.2
237.09142	2.6
239.10638	2.6
241.08719	1.0
247.07547	2.3
248.08298	1.2
249.09056	3.8
250.09846	2.0
251.10747	2.4
253.08533	2.9
261.09097	1.3
262.09900	2.6
263.06934	2.1
263.10696	1.5
265.08582	2.5
265.12244	2.6
266.09369	1.4
267.10205	5.4
268.10953	1.8
269.08109	1.0
269.11649	1.6
271.09619	1.3
273.11133	3.2
277.08490	1.1
278.09348	1.8
279.10095	4.4
281.08356	1.1
281.11682	2.9
283.09705	2.0
285.11166	3.6
286.11960	3.2
291.10077	1.5
293.11612	2.7
294.12411	3.0
295.09689	2.3
295.13260	2.2
297.11142	4.0
298.11884	1.0
299.09656	1.4
299.12793	13.5
309.11182	1.3
310.11938	9.1
311.12744	4.0
312.13257	1.2
313.14313	16.5
323.12723	1.3
324.13477	0.9
325.14365	9.6
327.15933	1.5
337.14374	1.2
342.14523	3.2
413.19604	9.1
427.35864	1.0
445.20044	1.3
448.18814	5.0
449.19275	2.9
475.21002	1.0
476.21744	2.4
520.24518	5.8
537.24866	20.7
538.25043	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28880	1.0
53.03932	1.9
60.00277	0.9
65.03926	1.5
67.05496	1.9
68.77199	1.1
69.03432	1.5
70.56940	3.9
79.05487	6.3
81.07058	1.3
91.05473	20.7
93.03362	1.2
93.07073	2.0
94.04192	2.1
95.04968	5.9
103.05460	34.3
105.07032	11.7
107.04946	10.1
108.05727	2.9
109.06504	3.2
115.05431	4.1
117.07021	4.8
118.04135	2.0
119.04961	9.0
119.08530	1.9
121.06498	7.7
122.03650	4.7
123.04398	1.7
125.06039	1.5
128.06204	3.1
129.07007	6.8
129.70708	1.2
131.04918	21.6
132.05696	2.5
133.06470	7.4
134.03596	1.1
134.07210	2.4
135.04388	7.8
135.08028	8.6
136.05168	4.2
137.05962	38.3
138.06761	1.3
139.07486	1.8
143.04945	1.9
143.08531	1.9
145.06436	6.2
146.07242	3.6
147.04428	4.6
147.08049	5.6
148.05179	6.1
149.05974	6.1
150.06749	27.0
151.03896	4.1
151.07532	100.0
153.06973	1.9
157.06464	5.4
158.07249	2.5
159.08058	4.3
160.05177	3.6
160.08788	2.2
161.05965	7.9
161.09578	1.3
162.06769	4.7
163.03964	1.5
163.07527	35.4
164.08368	6.3
165.05446	2.3
165.06917	2.6
165.09102	85.0
167.07019	1.9
171.07962	2.5
173.05981	2.4
174.06744	6.5
175.07504	16.9
176.08282	5.0
177.05455	2.4
177.09109	3.6
178.06334	1.4
178.07690	1.4
178.09875	1.5
179.06969	1.1
179.08498	1.6
179.10678	6.8
180.07735	1.5
181.06459	1.5
183.08018	1.9
187.07550	3.8
188.08334	1.8
189.09094	24.7
191.07106	1.7
191.10677	3.7
193.06982	1.2
193.08539	6.5
194.07477	1.3
194.09337	4.7
195.08066	1.6
195.10158	2.2
198.06866	1.4
199.07545	1.4
201.09122	1.9
202.06267	1.2
202.09872	1.7
203.08778	1.2
203.10657	3.6
205.08502	1.7
205.10243	1.5
207.08051	3.0
207.10153	4.0
208.08858	2.6
209.09581	1.4
210.06659	1.1
210.10353	1.3
211.07535	2.9
213.09149	1.6
215.10626	1.4
217.12131	1.9
218.07336	1.3
218.09355	1.6
219.08078	3.7
219.10101	1.7
221.05952	1.5
221.09688	1.2
222.06833	1.2
223.07518	1.9
224.08307	3.0
225.09073	4.4
227.06995	1.4
231.08063	1.4
231.10199	2.1
233.09526	1.5
234.06805	1.5
234.10431	1.3
235.07515	5.0
236.08247	2.4
237.09055	1.3
238.09958	1.8
239.06984	1.7
239.10573	3.5
247.07668	2.6
248.08180	1.6
249.09055	3.3
250.09714	1.4
251.07225	2.0
251.10466	2.3
253.08473	2.9
253.12355	1.4
254.09351	1.3
255.10240	1.5
256.10873	1.1
262.09888	2.4
263.07126	1.8
264.07730	2.3
265.08505	2.6
265.12250	2.5
266.09155	1.5
267.10107	6.7
268.11002	1.7
269.08017	1.5
270.08777	1.2
271.09723	2.5
273.11209	5.4
277.08435	1.5
278.09506	1.1
279.10114	3.6
280.11157	1.2
281.08398	1.1
281.11731	4.0
282.12326	1.2
283.09717	1.4
284.10559	1.5
285.11221	4.0
286.12021	3.7
291.10229	1.7
293.11752	5.7
294.12503	3.4
295.09702	3.0
295.13345	2.2
297.11206	4.5
298.11850	2.1
299.12766	14.5
310.12076	7.8
311.12744	4.8
313.14267	15.6
325.14359	14.1
326.15134	1.5
327.15854	2.0
342.14587	4.7
352.16599	1.3
396.18958	1.2
413.19571	8.9
448.18732	4.4
449.19220	2.4
476.21954	3.1
501.86160	1.3
520.24536	7.2
537.24799	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	537.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43066	1.1
53.03937	1.2
61.05746	0.8
62.71375	0.8
65.03935	1.7
67.05494	1.5
69.29971	2.2
69.30381	7.1
71.93656	0.8
77.03880	0.9
79.05477	4.0
81.03410	1.2
81.07034	2.5
91.05460	18.3
93.07040	1.5
94.04177	1.4
95.04986	4.3
98.20748	1.5
103.05461	19.1
104.96564	0.9
105.04518	0.9
105.07023	7.1
107.04933	7.4
108.05747	1.8
109.06506	1.5
115.05489	2.2
117.07009	2.3
119.04933	9.0
120.05704	1.2
121.06479	6.5
122.03631	2.5
123.04411	1.2
128.06195	2.0
129.07008	3.6
131.04904	11.3
132.05682	1.8
133.06480	6.4
134.07288	3.0
135.04384	6.2
135.08044	5.3
136.05150	5.6
137.05968	32.9
138.06776	1.4
139.07542	1.5
144.05678	1.7
145.06459	5.2
146.07317	1.5
147.04381	2.5
147.08000	1.6
148.05186	4.0
149.05968	2.8
150.06757	10.4
151.03996	4.4
151.07529	100.0
152.07858	1.7
153.06853	1.0
157.06483	2.6
158.07263	1.5
159.08047	2.2
160.05116	1.1
160.08806	1.5
161.04845	1.0
161.06001	6.7
161.09427	1.2
162.06815	1.4
163.07533	17.5
164.04616	0.9
164.08281	1.2
165.05496	2.0
165.06914	2.2
165.09096	65.9
167.06969	1.1
169.06381	0.9
174.06856	4.2
174.78108	0.9
175.07530	9.7
176.08278	1.2
177.05504	1.2
177.09120	2.2
179.08565	2.2
179.10689	3.4
180.07861	0.9
181.06583	1.1
183.08026	2.3
185.05949	1.0
186.10326	1.1
187.07538	2.5
189.09088	13.0
191.07001	2.2
191.10681	2.9
193.08583	3.1
194.09366	3.5
195.08141	1.2
195.10158	2.1
196.08672	1.1
201.09116	1.4
202.09865	2.8
203.10637	1.4
204.07858	1.5
205.06566	1.3
205.08441	1.2
207.08075	2.5
207.10036	1.1
208.08757	1.3
209.09601	1.0
210.06693	1.1
211.07564	2.3
213.09171	1.6
217.08662	1.4
217.12239	3.5
219.08051	3.2
219.10063	1.6
220.08723	0.9
223.07436	1.4
225.09067	2.4
226.09834	1.3
231.08003	1.0
233.09604	1.3
234.10574	1.3
235.07501	4.7
236.08133	1.4
237.08997	2.5
239.07024	1.9
239.10669	1.5
241.12206	1.5
247.07607	3.3
249.09126	2.7
250.09799	1.6
251.10634	2.4
253.08575	2.9
254.09296	1.3
261.09067	1.2
262.09872	1.8
263.07092	1.4
264.07745	1.1
265.08664	2.4
265.12222	2.5
266.09464	1.4
267.10120	4.6
268.10883	1.4
269.08228	1.1
271.09604	1.4
273.11359	6.8
277.08551	1.9
278.09415	1.3
279.10040	5.0
281.08438	1.0
281.11676	2.3
282.12289	1.1
284.10513	1.2
285.11282	3.0
286.11850	4.8
291.10239	1.3
293.11621	4.2
294.12418	1.8
295.09485	1.3
295.12964	1.2
296.10458	1.1
297.11182	2.4
298.11899	1.2
299.12781	6.5
307.13242	1.1
310.12036	7.2
311.12772	6.0
313.14328	9.5
324.13458	1.0
325.14285	10.6
342.14667	3.6
379.19165	3.3
448.18924	8.7
449.19537	4.7
475.21024	1.6
476.22061	1.3
503.24176	2.7
520.24548	1.3
537.24921	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	537.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	7.0
55.01859	6.7
55.05503	26.8
60.38779	4.8
61.32936	6.0
67.05501	32.7
69.03418	18.0
69.07056	24.1
69.39194	49.2
71.04954	8.5
79.05502	34.8
81.03412	12.1
81.07050	90.2
83.04959	9.3
83.08617	10.0
85.02893	14.4
89.03904	7.3
91.05471	64.7
93.07050	65.1
95.04955	20.1
95.08603	61.8
97.02886	7.0
97.06522	14.9
97.10155	22.1
98.21586	7.3
99.08064	11.7
103.05488	12.6
105.07011	71.9
106.27333	6.7
107.08579	64.2
109.02858	11.3
109.10167	55.0
111.08081	9.9
115.05453	6.7
117.03368	15.1
117.07010	9.5
119.04924	46.2
119.08580	43.5
121.06491	5.9
121.10123	35.8
123.08021	9.9
123.11697	23.9
125.09636	13.4
127.03898	10.5
131.04916	10.6
131.08527	18.5
133.02814	5.8
133.10123	37.8
135.04355	9.8
135.08061	7.9
135.11655	28.5
137.05957	46.8
137.09616	9.8
139.11185	6.2
145.02803	32.6
145.10109	22.2
146.03191	6.5
147.04420	73.3
147.11653	46.9
149.05983	10.4
149.09679	9.6
149.13263	22.3
151.03897	10.2
151.07472	6.8
151.11180	23.4
153.05363	6.0
159.11696	25.5
161.05965	8.9
161.13196	13.8
163.03941	24.7
163.11171	10.0
163.14835	10.4
165.12793	12.8
167.07018	17.7
169.05005	7.8
169.12175	6.6
173.13275	10.8
175.03905	50.0
175.07471	8.1
175.14806	14.6
177.05458	53.6
178.05835	8.1
187.07527	5.9
187.14786	20.3
205.15973	6.7
207.06511	100.0
208.06795	7.7
209.15353	36.3
227.16225	8.0
257.22479	5.8
267.21082	6.9
275.23795	8.2
277.08826	7.1
285.12323	11.0
285.22186	13.8
291.23160	10.1
303.23157	70.9
321.24277	34.7
333.10599	6.2
339.25363	10.2
357.13312	6.5
395.14825	9.0
519.25775	13.0
537.27112	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.2
55.01855	4.5
55.05492	16.8
57.03413	3.9
57.07066	3.7
65.03939	5.0
65.56996	3.8
67.05505	32.3
69.03412	12.4
69.07061	20.2
70.06556	5.3
71.04095	12.0
71.04996	6.2
77.86670	4.2
79.05479	31.7
81.03394	11.1
81.06596	4.7
81.07049	74.7
83.04980	7.9
83.08596	8.8
83.57091	4.0
85.02888	12.0
85.06514	7.5
89.03909	4.3
91.05464	49.6
93.07032	60.3
95.04951	18.7
95.08596	70.4
97.02890	7.7
97.06513	12.0
97.10130	12.1
99.08055	8.1
103.05445	10.1
105.07026	56.1
107.04945	6.5
107.08585	52.1
109.02863	8.3
109.06487	7.2
109.10150	48.3
111.04409	4.7
111.08084	11.4
117.03353	11.9
117.06969	6.6
119.04923	46.1
119.08567	36.5
121.10130	33.9
123.04434	6.8
123.08085	5.5
123.11687	21.5
125.05987	4.6
125.09586	12.1
127.03881	9.2
131.04907	10.8
131.08553	10.0
133.02753	6.0
133.06488	4.9
133.10083	36.3
135.04364	7.0
135.08009	6.9
135.11670	32.8
137.05974	41.3
137.09587	13.5
139.11125	8.3
143.10669	5.2
145.02820	22.2
145.10112	22.1
146.03181	9.5
147.04410	60.1
147.11635	37.4
149.05931	6.5
149.09554	7.4
149.13232	14.1
151.03848	7.0
151.07495	10.2
151.11137	12.3
155.10611	4.7
159.11658	15.2
161.05908	8.2
161.13239	20.5
163.03912	19.9
163.07503	8.7
163.11128	5.8
163.14729	8.5
165.05467	8.4
165.09052	5.2
165.12730	4.5
167.07021	20.4
169.04893	4.5
169.12157	5.2
171.11630	4.4
173.13251	13.4
175.03891	46.9
175.07448	4.6
175.14824	11.5
177.05467	41.4
177.12688	7.7
178.05795	15.7
179.10605	6.0
181.04897	8.2
181.08510	4.3
181.12177	6.0
187.14778	15.2
189.16528	4.7
191.06923	4.6
191.14226	10.9
193.15860	5.0
195.13828	4.6
203.14273	4.5
205.15782	7.4
207.06505	82.4
209.15419	21.8
223.16911	8.0
227.16342	8.4
255.48141	4.5
257.04266	6.0
267.21042	5.4
273.91119	4.8
275.23746	5.1
277.08701	4.7
285.12192	3.9
285.22110	14.8
291.23071	13.0
299.05963	5.4
303.23123	61.6
321.24185	32.7
333.23334	5.1
339.12372	5.1
339.25348	9.5
351.10770	6.4
395.14798	13.6
512.33081	4.6
519.25653	17.9
537.26874	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.4
54.50396	4.3
54.96671	4.3
55.05503	36.3
57.03417	12.3
57.07068	66.9
57.19347	4.1
67.05498	82.1
69.07043	21.1
71.08613	38.6
79.05060	8.0
79.05485	98.9
81.03402	14.3
81.07043	72.1
81.20353	4.2
81.24514	4.5
83.04965	21.2
83.08594	19.8
85.06506	5.5
85.10171	21.7
88.28190	4.2
89.43364	4.4
91.04974	6.5
91.05475	79.9
93.07031	99.4
95.04959	25.1
95.08602	55.5
97.10132	8.0
105.07018	59.1
107.04933	8.6
107.08567	19.4
109.06501	7.8
109.10138	15.2
117.07014	9.1
119.08539	27.1
121.10127	8.7
123.11621	6.1
124.69028	4.2
129.07004	22.8
133.10138	7.0
143.08514	8.9
145.10089	12.8
147.11661	48.0
148.80803	4.6
161.13240	15.0
171.11711	33.4
189.12723	10.4
207.13797	32.2
229.62149	4.8
239.23642	5.5
271.77512	5.4
276.30905	5.0
281.17487	60.5
290.85461	5.1
299.33691	4.4
313.27362	79.2
519.33093	7.8
519.40405	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01860	1.3
55.05505	14.7
57.03440	6.6
57.07070	40.7
59.05006	0.7
63.53567	0.8
65.03939	1.2
67.05500	27.2
69.03421	1.8
69.07061	10.6
71.04990	3.7
71.08627	26.7
71.52715	1.1
71.79446	0.8
71.81689	0.8
79.05488	14.9
81.03414	36.5
81.07048	30.2
83.04976	6.2
83.08611	24.0
83.09109	1.0
85.02900	20.2
85.06549	1.9
85.10174	12.4
91.05475	20.3
91.48195	0.8
93.07040	10.5
95.04961	13.9
95.08595	26.4
95.09171	1.7
97.02888	1.6
97.06525	2.2
97.10159	8.7
97.13592	0.9
99.08113	0.9
99.11739	1.1
105.07018	13.3
107.04984	2.9
107.08570	4.4
109.06519	1.9
109.10152	11.8
111.04420	1.7
111.08076	5.9
111.11714	1.9
113.05983	1.5
119.08559	10.4
121.06534	1.4
121.10133	5.4
123.08040	1.2
123.11697	4.6
125.09613	1.0
129.06998	5.2
131.08537	7.2
133.06503	1.3
133.10147	4.9
137.09598	1.1
137.13258	2.1
142.07829	1.2
145.10175	1.0
147.08034	1.7
147.11650	8.0
149.09624	2.3
151.07433	1.0
157.10095	7.6
165.12839	1.7
175.11171	8.2
193.10434	1.1
193.10938	0.5
193.12233	36.9
211.13264	43.6
253.25293	5.7
267.15955	4.9
327.28821	4.9
519.40271	1.5
537.41486	100.0
538.41748	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79797	1.0
55.05498	4.6
56.05033	7.8
57.07069	1.8
58.02941	4.9
58.06591	3.2
58.71957	1.0
60.04221	1.9
60.04520	37.2
61.02907	1.1
65.12954	1.1
69.03423	11.7
69.07067	7.3
71.08638	1.4
72.10230	1.1
81.07042	1.8
83.08625	5.5
86.06062	15.3
88.61111	1.1
93.07029	1.7
95.08579	2.1
97.10163	2.6
104.07092	80.3
119.21527	1.2
122.08139	24.6
135.11732	1.7
144.40477	1.1
165.09073	1.9
212.39197	1.1
272.25891	1.7
328.31921	1.1
340.28400	2.4
358.29480	100.0
376.30545	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01852	3.2
61.81284	1.7
65.03915	2.7
65.75360	1.7
67.05486	6.6
69.03416	3.2
69.07043	3.9
69.91685	10.5
79.05472	8.4
81.02754	1.7
81.03375	3.9
81.07040	7.5
81.67807	2.2
83.04964	3.5
85.02907	3.7
85.06521	2.5
91.05442	12.8
93.07042	10.3
94.04153	3.1
95.04938	7.0
95.08588	6.3
97.02853	2.9
97.06505	4.0
97.10150	2.1
103.05426	11.8
105.07016	8.5
107.04944	17.8
107.08598	6.0
107.87645	1.8
109.02829	2.4
109.06503	2.6
109.10146	7.1
111.08044	3.1
115.05451	5.8
116.21741	1.8
117.07007	4.0
119.04910	7.4
119.08557	2.4
121.06484	5.3
121.10121	5.3
122.03600	7.0
123.04402	5.5
123.08042	4.5
123.11647	2.7
127.03873	6.0
129.06981	4.4
131.04892	10.3
131.08539	3.3
133.02811	2.0
133.06471	3.7
133.10097	1.9
135.08034	8.2
137.05959	100.0
143.04904	3.1
144.05663	3.4
145.02814	4.9
145.06461	6.3
145.10089	3.5
146.03583	2.1
147.04395	11.6
147.08049	3.9
149.02325	4.8
149.05901	3.6
150.06752	2.7
151.03918	9.6
151.07526	32.3
153.01768	2.0
153.05470	3.3
157.06393	4.7
159.08005	2.7
161.05945	32.5
161.09589	3.1
161.13336	2.0
163.03911	3.2
163.07516	29.3
163.11237	2.1
165.05484	3.5
165.06970	3.4
165.09033	3.7
167.07001	8.1
171.02905	2.2
173.05940	2.8
174.06683	2.2
175.07556	23.8
177.05493	15.7
177.09062	8.2
178.05836	1.9
181.06459	3.0
181.08617	9.4
183.08086	2.0
185.05991	2.4
186.06726	2.0
187.07503	2.8
187.11218	2.4
189.09077	13.8
190.06172	2.7
191.07021	4.3
193.04857	2.9
193.06470	2.5
193.08647	2.1
194.07260	4.4
195.08342	3.5
195.10135	15.1
197.09628	2.1
203.07018	7.2
204.07803	13.4
205.06590	3.2
207.06363	2.7
207.08243	3.3
207.10132	8.5
211.07475	2.4
217.08549	5.6
219.08003	2.7
219.10063	3.2
221.06000	3.1
222.06761	4.0
225.08942	2.2
235.07481	2.7
237.09094	6.8
239.06917	1.9
247.07472	3.9
249.09035	5.7
251.07089	2.3
251.10687	4.0
253.08644	2.8
265.08575	15.5
267.10120	3.6
268.07080	2.8
269.08188	2.5
270.08920	2.8
277.08554	7.0
279.10022	3.8
283.09570	6.4
285.11124	8.2
291.10071	4.0
295.09546	2.7
297.11154	22.9
299.12704	7.2
305.11667	3.9
305.24728	2.9
309.11087	6.0
311.12857	13.2
313.10742	3.8
315.12222	4.8
317.13925	2.3
323.12823	7.1
329.13718	2.9
335.13031	2.9
337.14380	15.5
340.13016	2.8
341.13617	9.1
343.15384	3.3
349.13947	3.8
353.13815	3.1
355.15308	21.6
357.13098	2.8
359.14487	2.4
367.15424	12.8
461.19693	3.8
479.20544	5.4
491.20105	3.1
509.21378	5.5
521.21399	2.9
528.63464	2.2
539.22119	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15099	2.7
51.57195	2.4
51.74910	2.4
55.05510	6.4
56.89826	2.5
67.05505	5.6
68.66064	2.5
69.03429	2.9
69.07051	12.6
79.05491	8.6
81.03397	4.0
81.07044	10.3
85.02892	3.0
91.05463	22.0
93.07052	6.1
94.04179	3.1
95.04935	4.9
95.08604	3.8
97.02871	3.8
97.22708	2.3
99.04462	3.6
103.05490	3.2
105.07029	7.3
107.04953	9.6
107.08578	7.8
109.02866	4.9
109.06536	4.0
109.10149	3.3
115.05458	6.9
117.07030	4.9
119.04926	13.6
119.08587	4.7
121.02922	2.4
121.06493	10.6
122.03661	8.1
123.04443	4.7
123.08054	6.2
127.03920	6.1
129.06981	7.0
131.04926	7.3
133.06488	4.3
135.08037	4.8
137.05965	100.0
139.03972	2.5
144.05606	3.1
145.06526	4.8
146.03590	2.6
147.04376	14.2
147.08031	3.5
149.02286	12.0
149.05992	7.1
150.02623	5.4
151.03923	8.5
151.07527	43.4
153.05479	4.4
153.12720	14.8
157.06537	6.1
159.08064	3.0
161.05965	37.5
161.09633	6.6
163.07552	11.4
165.05487	4.2
165.06935	2.6
165.09041	3.3
167.07056	17.8
167.08406	4.6
171.78304	2.5
174.06778	5.9
175.03983	5.7
175.07526	36.0
177.09081	12.8
181.04973	2.5
181.06465	3.9
187.07500	5.0
189.09099	23.1
191.07036	4.1
193.06592	4.3
193.08629	5.2
194.07210	4.3
195.08275	4.9
195.10173	21.5
201.25357	2.3
205.06593	3.0
206.07492	2.6
207.06516	17.9
207.08295	4.1
207.10167	11.3
211.07565	5.8
218.07243	3.1
219.08076	4.3
219.10092	3.1
221.05974	5.7
222.06607	3.0
225.09077	6.4
237.09050	6.9
241.04965	4.1
249.09222	5.5
250.06332	3.9
251.06938	2.8
251.10730	5.6
253.08566	4.8
263.06970	3.0
265.08588	18.3
267.10168	6.1
269.08066	4.7
277.08606	7.1
279.10269	5.1
280.07584	2.7
281.07767	3.3
283.09601	8.3
285.11169	9.2
295.09601	6.8
296.10217	3.1
297.11252	23.0
299.12741	3.4
307.09698	3.1
309.11047	4.6
311.12738	16.7
315.12274	6.8
317.14120	3.0
321.11566	3.0
322.11902	2.8
323.12732	10.7
327.12051	4.6
329.13867	3.5
337.14331	20.7
341.13831	4.0
349.14362	5.6
355.15372	26.2
367.15448	13.0
447.17740	3.5
461.19617	3.0
479.20566	6.6
491.20551	5.0
509.21481	5.1
539.28271	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.4
53.03937	5.2
55.01868	53.1
55.05506	38.3
57.03427	6.6
57.07070	84.5
65.03934	2.8
67.05499	50.3
69.03423	14.3
69.06713	2.7
69.07063	25.9
69.32063	11.7
69.32473	3.4
70.04183	2.3
71.04984	4.1
71.08626	57.2
73.02893	6.3
79.05483	32.0
80.06252	1.5
80.65750	1.3
80.76458	1.5
81.03416	8.3
81.07050	61.2
82.04184	11.9
83.01352	1.6
83.04972	19.0
83.08611	27.0
84.05695	2.0
85.06566	2.0
85.10175	27.1
89.06024	5.0
91.05472	23.8
93.07035	16.3
93.56646	1.7
95.04958	17.9
95.08599	56.6
97.02872	3.2
97.06522	15.5
97.10170	18.7
98.07310	12.2
99.08125	1.8
99.11723	3.3
105.07023	12.1
107.04960	4.4
107.08573	8.8
109.06508	4.1
109.10149	24.2
111.08047	8.5
111.11714	4.1
115.03934	2.0
116.04677	1.6
117.06998	4.0
119.08572	8.7
121.06509	1.5
121.10144	6.7
123.08052	6.2
123.11693	9.4
125.09637	10.3
125.13287	2.6
127.11185	5.7
129.05478	2.2
129.06979	4.2
131.08557	6.6
131.34875	1.5
133.08614	3.6
133.10121	6.7
135.08095	2.9
135.11673	4.8
137.09593	2.9
137.13329	3.5
145.10085	3.6
146.55943	1.4
147.08052	2.0
147.11650	7.3
149.09557	2.9
151.14859	2.0
154.09886	1.3
157.10107	4.5
158.05711	9.3
158.88858	1.8
163.11150	3.0
164.11987	2.4
165.12798	1.5
171.06532	18.4
171.07886	2.3
175.11183	3.6
183.18108	1.5
185.08116	6.3
193.12227	2.0
199.09625	4.0
209.11752	4.2
210.12373	2.1
213.11221	3.8
227.12746	12.6
239.23686	15.4
241.14301	2.4
255.15883	13.2
269.17493	6.6
283.15573	2.6
283.19052	2.8
297.20682	3.6
311.18759	3.1
311.22165	11.5
313.27243	9.1
325.23697	2.5
339.25171	3.1
353.27094	3.5
354.27606	4.0
367.28415	29.4
381.29758	8.8
395.31534	24.5
409.33102	5.9
423.34634	4.9
437.36383	4.8
438.37015	12.3
465.35800	2.8
493.38611	3.1
494.40009	1.7
521.38116	2.4
539.39374	100.0
540.39423	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	7.7
55.05521	33.4
57.03428	7.2
57.07071	51.2
64.10654	6.5
66.28820	5.9
67.05495	39.5
69.03461	6.7
69.07067	26.0
71.08619	47.0
71.44551	12.1
79.05487	44.3
81.07061	50.2
83.04951	10.5
83.08597	23.6
85.10186	19.1
91.05485	32.3
93.07041	44.0
95.04933	13.8
95.08595	50.5
97.06545	12.8
105.07031	21.2
107.04992	7.8
107.08582	33.1
109.10179	18.1
111.04443	9.8
117.07029	21.5
119.08545	19.9
121.10150	16.9
123.11663	9.8
125.09653	7.0
129.07018	9.1
131.08580	12.4
133.10144	11.3
135.11690	31.5
143.08571	10.6
145.10117	31.1
155.08522	16.5
157.10110	9.2
163.11195	41.9
169.10135	10.5
181.12259	16.1
197.13188	7.8
209.11626	9.4
227.12766	73.9
239.23627	10.6
283.15250	33.6
313.27365	100.0
372.96848	8.3
447.32562	9.5
521.38086	55.1
539.37659	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65944	1.9
53.03920	2.7
55.01857	2.4
55.05503	3.8
57.03423	4.8
58.84354	1.8
59.26100	1.8
67.05486	4.5
69.03422	28.0
69.07063	2.9
70.92601	4.2
70.92976	4.0
71.04985	2.1
79.05472	5.9
81.03409	5.1
81.07047	9.7
85.02894	18.0
85.06544	3.3
87.04476	11.8
91.05474	100.0
93.07035	8.1
95.04954	5.7
95.08597	4.8
97.02890	18.4
99.04448	6.5
103.05454	6.4
105.07013	11.4
107.04954	76.6
107.08577	4.7
109.02859	2.0
109.06448	2.1
109.10127	4.6
109.87254	2.2
115.03918	17.7
115.05473	2.8
117.06969	2.3
119.04908	11.6
119.08567	3.6
121.02892	2.1
121.06497	12.0
121.10151	5.0
123.08060	2.1
124.07588	3.1
127.03886	6.9
131.04909	10.3
131.08533	2.5
133.04958	21.7
133.10120	6.3
135.08034	3.3
137.05965	47.9
145.02809	4.3
145.04941	3.9
145.10104	2.6
147.04404	14.7
149.06009	2.8
151.03902	2.7
151.07558	4.8
153.05461	3.8
157.06415	2.5
161.05965	3.5
161.09610	11.7
163.03848	2.4
163.07507	29.7
163.11160	3.4
165.05457	2.2
167.07080	4.5
173.05943	3.0
175.03867	3.1
177.05484	10.7
177.09087	6.6
179.07034	5.7
179.10651	3.8
187.11133	3.9
189.09081	5.7
191.07103	2.3
207.06506	12.2
219.10147	3.5
229.08603	3.8
237.18430	2.4
248.66943	2.0
249.05669	1.9
293.11740	5.9
313.14301	3.2
325.14328	3.7
339.13351	3.9
342.13147	4.3
367.12427	2.3
508.21429	4.6
522.21326	2.0
540.19592	2.7
540.28448	5.7
541.29413	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	540.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
57.03417	0.6
57.23909	0.3
65.19743	0.3
69.03411	0.8
69.34783	0.6
69.35186	2.7
70.06586	0.4
71.06853	0.3
73.02898	1.1
77.03928	0.3
77.93033	0.3
79.05485	0.4
81.03394	0.7
81.07040	0.8
85.02899	3.2
87.09216	2.5
91.03959	0.4
91.05470	3.3
93.07040	0.6
95.04945	0.7
97.02855	1.0
103.05440	0.4
104.21431	0.3
105.07031	0.6
107.04939	0.9
107.08578	0.4
109.02884	0.4
109.06519	0.7
109.10140	0.5
111.04472	0.3
115.05460	0.7
117.06987	0.8
119.04955	2.3
121.06499	0.6
121.10137	0.4
122.03718	0.7
127.03905	0.6
128.06216	0.7
129.07001	4.8
131.04897	0.9
131.08551	5.7
133.10124	0.5
135.04384	0.3
135.08043	0.4
136.99071	0.3
137.02269	0.4
137.05968	10.5
141.06966	3.7
143.04893	0.4
143.08575	0.7
144.05650	0.6
145.04910	0.7
145.06441	1.0
146.07198	0.6
147.04398	4.1
149.05992	1.9
151.07527	10.8
153.05447	0.4
157.06480	5.5
158.07271	1.7
159.08051	4.7
160.05150	0.5
161.05972	1.8
161.09567	0.7
163.07524	2.8
165.07047	0.4
165.09094	0.5
167.07146	0.5
167.08452	0.6
169.06464	2.1
170.07175	0.8
171.08049	0.4
173.05922	0.5
174.06763	9.6
175.03969	0.4
175.07552	2.8
177.05421	0.4
177.09157	0.5
186.06696	1.6
187.07553	0.8
188.08305	0.4
189.09093	24.1
191.10675	1.9
193.10123	0.4
193.15829	0.6
195.08067	1.9
197.06003	0.3
201.09087	7.9
203.10635	0.7
207.06415	0.3
207.10104	1.8
209.09663	0.4
219.10143	100.0
220.10545	1.9
221.05907	1.1
221.09537	0.7
223.07516	1.0
224.08386	0.3
225.09116	0.9
227.10606	3.8
237.11064	2.0
240.07816	0.3
249.08981	0.7
251.94371	0.3
253.08569	1.4
253.12219	1.3
255.10144	3.1
267.10248	0.5
281.11612	1.0
285.11255	2.6
287.12714	6.7
301.14182	0.4
313.10910	0.6
313.14297	7.0
331.15372	23.9
332.15662	0.7
343.15424	0.5
360.07184	0.5
477.31293	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
57.03432	1.0
60.57467	0.4
61.02918	0.9
65.03936	0.6
69.03430	2.2
70.06563	0.9
71.04977	0.5
71.52398	0.5
71.52782	0.4
79.05485	0.5
81.03406	0.9
81.07066	1.1
85.02429	0.8
85.02901	8.5
91.04906	0.5
91.05468	8.6
94.04190	0.6
95.04968	2.7
97.02908	2.3
103.05441	1.6
105.07035	2.0
107.04927	1.8
109.02843	1.0
109.06506	2.1
111.04430	0.4
112.07609	0.4
115.05412	0.5
117.06985	1.1
117.63912	0.4
119.04932	6.9
121.06489	2.5
122.03640	1.7
123.04412	0.8
123.08026	0.8
127.03902	1.3
128.06181	0.6
129.06973	4.8
131.04926	2.4
131.08601	0.7
133.06474	1.0
135.08029	1.8
136.05164	0.9
137.05965	35.4
143.04898	0.7
145.04977	0.9
145.06465	1.5
146.03601	0.4
147.04425	1.5
149.05972	5.8
151.03899	1.6
151.07536	44.6
152.24991	0.4
153.06940	0.4
157.06483	6.1
159.08003	0.4
161.05952	5.9
161.09602	1.8
163.03882	0.8
163.07529	11.2
165.06989	1.8
165.09088	1.9
166.07822	0.6
167.07191	0.8
167.08493	4.6
169.06468	0.4
174.06725	2.4
175.07535	3.1
177.05594	0.4
177.06956	0.7
177.09088	4.0
178.07771	1.5
179.08537	0.7
179.10674	0.4
181.10187	0.4
182.07243	1.1
184.08745	0.5
187.07568	1.1
189.09087	16.1
191.06755	0.5
191.08545	0.4
193.06497	2.3
193.08542	0.4
193.10130	2.7
194.07245	0.7
195.08040	8.5
197.05867	0.7
203.08604	0.8
205.06479	0.7
206.07333	0.6
207.08209	0.6
207.10121	3.7
209.09618	1.8
209.11357	0.4
210.06822	1.6
211.07495	1.2
211.11215	0.4
212.08331	1.8
219.10040	0.7
220.08737	0.7
221.05966	4.4
221.09575	4.6
221.11598	0.7
223.07529	5.9
224.08331	1.3
225.05554	0.6
225.09094	4.3
226.09903	0.4
227.07205	0.7
227.10635	15.5
234.06763	0.7
235.07669	0.6
237.09103	0.9
237.11285	0.7
238.06235	1.6
238.09846	0.7
239.07071	0.6
240.07750	1.7
241.12154	0.6
249.09073	3.4
252.07843	0.8
253.08597	6.7
253.12231	7.6
254.09305	0.8
255.06357	0.6
255.10144	13.4
263.10645	0.7
266.09351	0.5
267.10135	2.9
269.08084	2.2
269.11627	0.5
270.08929	0.7
272.10443	1.9
281.11691	3.0
284.10388	0.7
285.11172	9.4
287.12753	24.3
297.11240	0.9
299.12814	1.4
301.14267	1.0
311.12784	1.2
313.14319	23.8
314.14648	0.7
325.14182	0.7
331.15363	100.0
332.15613	2.2
333.10583	0.4
343.15338	3.8
376.14651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.0
61.88338	0.7
67.05495	0.7
69.03429	0.9
69.70357	1.8
69.70772	3.2
73.02920	0.9
77.31555	0.8
77.57404	0.6
85.02879	1.1
91.05472	4.8
97.02866	1.0
98.21494	1.1
115.05421	1.0
117.13282	0.8
119.04939	6.3
121.10155	0.9
122.03647	1.0
126.34086	0.8
128.06206	1.0
129.06985	4.3
131.04913	1.7
131.08562	7.8
137.05968	8.0
141.06958	3.4
147.04405	25.7
149.05977	1.5
151.07520	4.6
157.06483	5.2
158.07228	1.5
159.08037	4.7
160.05225	0.8
161.06062	1.8
161.09567	1.0
167.07022	0.8
169.06476	2.9
170.07281	0.9
174.06754	11.3
175.07516	4.1
177.05452	2.1
186.06755	1.9
188.03743	4.7
189.07396	1.4
189.09108	25.2
191.10707	1.8
201.09120	8.5
207.10101	0.8
219.10147	100.0
220.10556	2.1
227.10590	2.1
237.11292	2.2
253.08366	1.1
255.10191	1.4
285.11203	0.9
287.12778	3.8
313.14264	3.2
331.15396	8.8
520.66791	0.8
540.41779	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28920	0.9
53.03938	2.4
55.01850	1.1
64.95308	1.0
65.33298	1.0
67.05505	1.8
69.07065	1.5
71.52974	1.3
71.53316	1.3
79.05485	5.9
81.07034	1.6
88.07630	1.1
91.05469	12.2
92.11364	1.1
93.07048	1.8
95.04939	3.1
103.05446	6.6
105.07014	3.4
107.04951	83.8
107.08566	1.4
115.05442	7.8
117.07008	4.2
119.04914	1.4
119.08569	2.8
121.06478	4.0
122.77567	1.2
123.08015	1.3
131.04907	3.9
132.05670	1.4
133.06453	2.9
135.08038	8.3
136.05182	6.9
137.05948	2.7
138.06755	5.4
139.03897	1.8
139.07516	1.9
143.08572	2.1
145.06483	1.9
145.07610	1.5
146.07321	1.4
147.04391	1.6
147.08029	8.0
148.08789	3.4
149.05940	2.7
151.07535	42.5
161.09634	1.6
163.07536	79.7
164.08316	11.3
165.09053	2.3
167.71924	1.0
173.09656	1.3
175.07491	2.7
175.11116	1.2
178.09885	4.8
179.10666	100.0
180.10989	1.8
188.08244	1.2
188.12024	2.0
190.09807	1.4
203.10663	15.5
219.13788	13.8
235.11211	1.1
243.13809	2.5
281.15399	2.4
294.12308	1.5
299.12793	2.5
300.69705	1.2
309.14899	12.8
327.15982	9.1
341.17523	2.5
354.66083	1.1
367.19003	1.9
374.68112	0.9
517.32751	1.0
540.53613	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
55.05505	3.4
57.03400	1.0
59.04994	100.0
59.17057	0.7
67.05489	4.5
69.03422	1.3
69.07046	1.9
70.03658	4.1
71.04992	0.9
79.05492	3.8
81.03407	2.0
81.07061	5.0
83.04952	1.2
83.08598	1.5
90.29803	0.9
91.05470	7.8
91.20635	0.8
93.07022	3.8
95.04932	2.0
95.08597	2.1
97.06509	1.1
103.05440	1.5
105.07020	6.6
107.04949	2.0
107.08598	2.1
108.05814	0.7
109.06506	1.3
109.10165	1.0
115.05436	1.3
116.06261	0.9
117.06999	3.5
119.04975	0.8
119.08569	2.3
121.06502	2.9
121.10127	1.4
123.08035	1.8
125.09586	1.1
128.06194	2.4
129.07001	10.2
131.04884	3.0
131.08560	5.8
133.06476	1.1
133.10103	1.9
135.08047	5.2
137.05995	1.7
138.06734	0.8
143.08577	2.2
145.06473	3.5
145.10101	1.3
146.07240	6.6
147.08043	1.3
147.11670	0.9
149.05969	3.2
149.09688	1.2
151.07513	3.1
155.08517	1.1
156.74832	0.8
157.06483	2.5
157.10117	2.0
158.07185	1.2
159.08075	3.9
159.11642	1.0
161.05910	1.9
161.09610	4.9
162.06721	1.9
163.07545	3.6
165.05489	1.4
165.09093	3.5
167.08577	1.0
169.10065	1.1
171.08022	0.8
173.06004	1.5
173.09624	1.0
174.06671	4.2
175.07532	1.8
175.11221	1.0
177.05453	3.3
177.09082	5.4
181.04852	1.3
181.10085	1.0
183.11629	0.9
185.09604	1.4
187.07568	4.8
187.11171	0.9
188.08308	6.0
189.09084	27.6
193.08601	2.6
194.09317	2.1
195.10153	1.2
198.06786	1.1
201.09181	1.0
202.09856	1.7
203.10591	1.8
205.08577	2.2
211.07567	0.8
213.08916	0.9
215.06985	1.2
215.10683	0.8
216.07823	4.4
217.08556	19.2
220.00780	0.9
229.08580	1.6
231.10129	2.9
233.08084	3.4
241.00819	0.9
243.10126	1.7
244.07259	3.2
245.08011	3.0
257.18646	0.9
263.66449	0.7
265.58069	0.9
269.11737	2.0
273.14816	1.3
275.20010	1.2
283.13083	1.1
301.14352	6.8
319.15222	1.0
409.16324	1.5
431.29056	1.1
449.30292	2.3
467.31781	1.3
477.48853	0.9
479.12103	0.9
504.22208	0.9
523.34235	1.7
541.27173	1.4
541.35242	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	1.4
51.02375	1.8
52.12699	0.8
53.03943	9.1
55.01872	2.9
55.05505	25.4
57.03432	3.5
57.07066	5.4
65.03927	6.2
67.05499	82.4
69.03430	1.8
69.07063	20.4
69.28141	9.0
70.06591	2.4
71.04974	3.3
71.08627	2.1
73.06569	2.0
77.03944	1.0
78.04730	0.9
79.05487	100.0
81.03410	9.6
81.07050	72.5
83.04983	12.2
83.08616	8.5
85.06537	3.6
85.10165	0.9
88.07623	3.3
91.05473	76.9
93.07035	86.5
95.04964	24.3
95.08600	50.0
97.06501	5.6
97.10159	4.8
98.20743	1.2
99.08104	1.0
102.09167	2.9
103.05457	1.6
105.04515	3.4
105.07023	49.0
107.04948	5.9
107.08583	32.8
109.06514	5.4
109.10154	13.4
111.08072	2.3
115.05455	1.9
117.07001	11.2
119.08574	27.2
120.00350	0.8
120.69734	0.8
121.06528	2.0
121.10133	20.6
123.08115	4.5
123.11714	3.1
127.07579	2.0
128.06232	3.2
129.06985	16.4
129.48932	0.9
131.08537	12.2
131.09366	1.0
133.10129	13.9
133.79947	0.8
135.08113	1.2
135.11678	11.6
139.07545	1.0
139.11136	0.8
141.07018	1.5
142.07845	1.2
143.08557	7.5
145.10110	15.0
147.08095	1.4
147.10501	1.7
147.11676	33.5
149.13226	4.0
155.08524	2.1
156.09357	1.6
157.10118	3.1
159.11661	5.1
161.09682	4.8
161.13234	12.0
163.14819	1.6
169.10190	2.3
171.11667	26.3
173.13278	4.0
175.14888	1.3
177.12848	1.5
177.16176	1.1
179.14426	1.1
183.11699	2.7
185.13266	2.0
187.14812	1.0
189.12704	9.7
197.13242	1.3
199.14809	1.5
199.78401	0.9
207.11929	1.5
207.13780	25.3
209.13292	1.1
225.14902	3.1
243.21172	1.9
256.26343	4.6
257.26678	2.6
261.22153	3.5
281.17422	1.5
283.26505	1.1
284.29547	1.1
311.29388	4.2
312.29892	2.5
317.24863	1.4
383.65558	0.9
413.06549	0.8
449.34271	2.5
467.35629	1.8
485.36169	1.6
523.38104	2.1
540.53625	3.2
541.38904	81.0
541.53217	19.4
542.39264	2.6
547.25586	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94628	3.9
52.57469	4.1
67.05492	3.6
67.34519	3.6
69.03421	5.6
71.04967	7.4
71.07991	10.9
77.54280	3.8
81.03414	8.0
81.07024	7.7
85.02900	10.0
91.05467	4.8
94.04192	3.4
95.04970	5.7
95.08609	5.5
97.02868	8.7
103.05463	11.6
105.07015	8.0
107.04910	5.8
109.02872	6.1
121.06564	4.4
122.03623	7.8
127.03925	7.9
131.04910	18.1
133.06476	16.4
135.08069	8.6
137.05968	100.0
147.04353	3.9
149.06039	5.5
151.07545	9.5
153.12750	15.5
153.18785	4.1
163.07530	42.0
163.08850	5.0
171.71503	4.3
175.07486	4.7
177.05548	4.6
177.09090	49.5
181.04805	4.0
188.03732	22.0
189.09215	4.7
202.84427	3.6
203.10622	6.5
216.59296	4.4
221.11742	14.7
295.13281	10.0
314.06940	6.4
327.15866	20.1
345.17575	6.3
382.99341	4.3
411.51697	3.8
424.51462	3.6
427.67606	5.0
542.21661	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	542.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80397	0.3
59.45222	0.3
61.02923	0.4
68.69154	0.3
69.03410	0.8
71.53214	0.9
74.05405	0.3
81.03409	0.7
81.07051	0.3
85.02886	1.8
91.05457	1.4
93.07040	0.6
94.04176	1.0
95.04964	0.4
96.56427	0.3
97.02884	0.6
98.52876	0.3
99.04496	0.5
103.05439	0.5
107.04932	0.3
109.02843	0.5
109.10169	0.5
111.89220	0.4
119.04969	0.4
121.06466	0.4
121.10145	0.5
122.03635	3.0
127.03928	0.5
131.04895	1.2
137.05962	100.0
138.06313	0.8
145.04855	0.5
151.04039	0.5
151.07552	0.4
163.07513	1.9
177.05347	0.6
181.08577	12.1
303.11099	0.4
325.13254	0.4
404.20636	0.4
515.15778	0.4
542.19910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	4.0
56.47129	1.0
57.07068	34.9
63.18212	1.0
67.05486	3.9
69.07048	2.3
69.86667	4.8
71.08624	22.5
73.06548	7.7
79.05468	3.0
80.36237	1.0
81.07030	4.2
83.08591	3.1
85.10175	23.3
87.04464	5.6
88.98032	1.1
89.06021	100.0
91.05475	3.2
93.07027	3.6
95.08590	2.0
97.10142	4.2
99.11711	6.3
103.01027	1.1
105.07008	2.4
107.05019	1.0
107.07034	5.0
107.08554	1.8
111.11730	1.4
113.13341	1.2
117.09135	6.2
119.08548	1.2
130.08624	2.5
131.07030	2.3
131.08527	1.2
133.08588	49.0
133.10092	2.0
141.06920	1.2
142.31654	1.3
145.10109	1.6
155.17932	4.5
177.11209	19.6
185.13297	1.2
199.20505	5.3
221.13821	4.8
221.73700	1.3
239.14847	1.9
240.23112	1.5
243.23219	9.3
283.17532	2.2
287.25815	6.2
327.19818	1.9
371.22580	6.9
446.49890	1.2
525.40363	8.2
542.42554	1.4
543.36646	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	543.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97819	1.6
55.01849	2.5
57.03415	2.3
61.02924	2.3
63.68579	1.8
69.03423	12.4
70.88361	2.1
70.88718	5.4
72.48730	2.1
73.02907	2.8
78.74457	1.7
80.77927	1.6
85.02905	17.0
91.05466	4.4
92.81150	1.7
97.02879	6.0
98.60310	1.8
99.04414	2.9
119.01898	6.4
119.04897	6.4
123.07932	1.7
127.03875	11.5
131.01892	6.4
133.03410	2.3
137.05975	3.8
143.01897	6.3
145.03481	3.6
145.04958	4.4
147.04379	30.2
157.03502	2.0
161.02939	3.9
163.03888	3.4
171.05029	13.4
173.02956	3.1
181.00162	1.9
183.05060	1.8
185.03000	1.9
189.06036	4.0
191.02037	1.8
191.03857	1.8
193.79771	1.9
201.06117	2.1
203.03970	3.9
207.06998	2.0
219.01849	2.3
219.05022	1.8
225.08153	2.6
233.90607	1.9
243.01863	2.2
245.05112	11.5
246.05318	3.6
247.04744	2.2
249.08211	4.8
261.08322	4.4
273.08154	5.0
302.89783	2.1
351.11334	19.9
363.07016	4.0
381.07855	14.9
435.04565	2.8
453.05124	2.4
507.11295	2.2
543.13190	100.0
544.13556	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	543.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42892	0.6
62.36018	0.5
71.52219	0.8
83.79538	0.6
85.02894	0.9
98.97600	0.6
119.01927	0.7
124.00188	0.6
127.00743	0.8
127.03871	0.8
127.51301	0.6
133.00818	0.6
139.00771	2.3
145.00761	3.3
145.03452	0.6
148.01291	0.8
151.00697	1.3
154.01254	1.0
160.01257	3.2
161.02995	1.3
166.01288	1.7
166.30054	0.7
169.01883	1.1
172.01213	0.6
173.02988	1.6
175.01791	0.7
178.01431	0.7
181.01772	3.8
185.02954	1.8
187.01860	2.0
190.02328	2.2
193.27571	0.6
196.02327	0.8
201.00729	0.7
202.02400	1.4
211.02905	2.1
232.03366	6.5
239.30797	0.6
245.05089	2.4
253.03781	0.7
262.04544	0.7
263.16641	0.6
292.05469	1.1
363.06775	3.9
369.92819	0.6
381.07889	13.6
543.13159	100.0
544.13257	4.4
563.75916	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01857	2.6
55.05497	2.8
57.07051	1.0
59.05000	68.4
66.55003	0.6
66.76751	0.7
67.05495	2.3
69.03423	1.5
69.49034	0.7
70.63378	0.7
70.83488	0.8
70.83832	2.3
71.04990	6.7
71.33458	0.7
73.06535	1.6
73.70120	0.6
75.85875	0.6
78.10400	0.7
78.10871	0.7
79.05490	5.6
81.07050	2.2
83.04974	1.9
83.08612	1.3
85.06542	8.8
91.05482	7.8
93.07029	2.2
95.04966	4.3
95.08635	1.2
97.10178	1.2
103.05469	5.2
105.07032	18.4
107.04956	1.4
107.08590	6.7
109.06517	1.7
109.10122	0.7
115.05439	1.5
117.07008	1.5
118.04151	1.8
119.04904	1.4
119.08510	1.3
120.05714	1.4
121.06498	16.9
123.08043	2.8
124.20954	0.9
125.05988	1.1
125.09628	6.4
128.06218	1.2
129.06969	1.1
131.04921	7.3
131.08583	0.8
132.05701	1.4
133.06485	3.4
133.07510	1.1
134.03606	3.4
134.07275	1.0
135.06989	1.3
135.08041	27.0
136.05197	1.1
137.05968	3.9
141.07014	0.9
142.07719	0.8
143.10667	4.5
145.06470	2.0
146.03629	1.1
146.07254	7.0
147.04414	2.9
147.08049	1.0
148.05200	1.4
149.05978	19.5
150.06746	1.5
151.07536	13.5
155.08545	0.8
158.07231	1.1
159.08006	1.4
161.05980	100.0
162.06740	4.1
163.07542	44.0
165.09091	3.3
167.07071	0.9
167.08580	1.4
169.10043	0.9
171.08022	1.2
174.06807	1.1
175.07571	5.5
175.11214	1.2
177.05539	3.5
177.09120	7.6
178.09866	1.0
179.07043	11.0
184.08827	0.9
188.08337	1.3
189.05479	6.3
189.09077	4.5
191.07033	1.1
193.08589	3.9
194.09380	21.2
195.10181	3.2
199.11201	1.0
201.09100	2.4
203.07028	2.1
203.10690	2.8
205.08629	3.0
207.06561	3.8
212.08356	1.2
213.09042	1.0
215.07059	0.9
215.10617	1.2
215.14456	0.9
217.08591	1.6
217.12241	2.5
219.10205	0.9
221.08112	2.3
227.10710	5.6
229.08629	1.6
245.11739	11.1
272.10452	1.1
273.11102	0.9
273.15039	0.9
285.14822	1.1
290.11606	1.7
313.14313	1.0
321.16925	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	543.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01857	1.9
55.05505	2.1
57.03421	0.8
59.04993	7.6
67.05478	1.9
69.07037	1.2
71.04988	1.1
71.52579	0.8
73.06538	1.6
79.05482	4.8
81.03423	0.8
81.07031	2.5
83.04962	1.2
83.08607	0.8
85.06534	4.8
91.05473	5.1
93.07034	2.6
94.07344	0.5
95.04959	2.4
95.08589	0.9
97.06527	1.0
97.10164	1.1
103.05445	3.0
105.07026	8.9
107.04935	1.0
107.08612	2.9
109.06521	0.5
109.10140	0.8
115.05452	1.6
117.06982	1.8
118.04153	1.6
119.04935	1.4
119.08575	1.2
121.06495	6.6
121.10145	0.7
123.08022	1.0
124.56388	0.5
125.09616	2.2
128.06166	0.5
129.06967	1.0
131.04924	5.6
131.08549	1.3
133.06488	2.1
133.07455	0.5
133.10083	0.9
134.03635	1.3
135.08072	2.9
136.05156	0.5
137.05942	1.8
141.06903	0.6
143.08510	1.4
143.10623	0.7
145.06448	1.2
145.10107	0.9
146.03574	1.1
146.07275	2.7
147.04364	2.6
147.07999	1.1
147.11693	0.7
149.05959	5.3
150.06732	0.6
151.07532	10.9
151.08681	1.0
157.10271	0.5
158.07245	0.8
159.08061	0.6
159.11703	0.9
160.05180	0.7
160.08838	0.5
161.05965	100.0
162.06702	2.8
163.07512	4.9
165.05576	0.6
165.09068	1.3
171.07991	0.7
171.11703	0.6
172.08792	0.6
173.09648	0.6
175.07558	2.8
177.05437	1.3
177.09111	3.2
179.07022	5.4
179.10643	0.6
183.11717	0.6
187.07611	0.7
189.05452	5.2
189.09122	1.9
193.08600	2.2
194.09363	22.3
195.10138	2.0
197.05994	0.6
201.09125	1.0
203.10623	1.6
203.62077	0.6
205.08574	11.8
206.05762	4.6
207.06567	4.2
212.08293	1.0
215.10663	1.6
217.12259	1.4
221.08063	1.8
227.10634	4.3
229.08667	0.6
245.11765	5.6
250.08315	0.6
258.97144	0.5
261.11053	0.6
272.10495	1.2
275.20068	0.9
285.14798	1.1
290.11411	1.0
290.42593	0.5
308.13034	0.4
313.13928	0.6
365.14099	0.5
525.35913	1.0
543.36548	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	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01856	2.4
55.05505	14.1
57.03434	4.1
57.07067	2.1
57.32620	0.5
59.04988	1.3
64.75278	0.6
65.03936	1.2
67.05499	22.7
69.03424	1.3
69.07057	7.4
70.77441	1.1
70.77793	0.8
71.04979	1.9
71.22112	0.4
77.55316	0.5
79.05486	17.3
81.03410	5.4
81.07047	19.5
83.04971	2.0
83.08617	7.5
83.75845	0.5
85.02891	0.7
85.06519	1.1
91.05476	16.1
93.07040	13.6
95.04966	5.6
95.08600	12.3
97.06534	2.2
97.10159	7.3
99.08117	0.6
103.05415	0.9
105.07024	15.0
107.04955	2.6
107.08586	10.3
109.06506	2.0
109.10155	7.8
111.08065	1.6
115.05450	1.8
116.06250	0.9
117.07014	9.5
117.07769	1.0
119.08558	11.1
121.06506	2.3
121.10136	5.1
123.08058	2.1
123.11684	1.7
125.09595	5.2
128.06204	3.3
129.06989	8.1
130.07759	1.1
131.08559	15.6
133.06508	1.8
133.10127	9.0
135.08049	2.6
135.11694	2.7
137.09647	1.7
141.06987	3.6
142.07762	2.3
143.08553	9.7
144.09286	0.6
145.06454	2.3
145.10101	11.6
147.08026	1.6
147.11691	5.4
149.09621	2.0
149.13284	1.1
151.07541	0.9
153.07019	0.6
155.08540	5.8
156.09340	0.9
157.06506	1.6
157.10120	9.8
159.08040	3.7
159.11673	8.4
161.05949	0.6
161.09642	1.1
161.13255	2.5
163.11134	1.0
165.07120	0.8
165.09125	0.5
167.08565	2.3
168.09344	0.8
169.10101	6.4
171.08057	1.8
171.11656	7.1
173.09610	1.6
173.13205	5.6
175.11256	1.6
175.14771	0.9
179.08513	0.7
180.09253	0.6
181.10101	3.4
183.11670	5.2
185.09637	1.9
185.13242	5.0
187.11183	1.8
187.14838	1.7
189.11221	2.4
193.10287	1.2
193.12285	2.0
195.11687	3.7
197.09523	0.7
197.13200	3.5
199.11203	1.6
199.14806	3.2
201.12741	1.2
201.16393	1.4
207.11676	0.8
209.13255	2.4
211.13120	0.9
211.14853	1.5
213.12758	1.6
213.16472	1.2
219.11775	0.9
221.13257	1.3
223.14833	2.4
225.16377	1.2
227.12796	2.4
233.13351	0.8
235.14833	1.1
237.16380	1.0
239.14288	0.6
239.18008	0.9
241.19511	1.2
242.16254	0.6
251.18076	0.7
253.15797	0.9
257.19037	1.4
259.20547	3.4
267.15909	2.9
271.20612	0.7
273.18494	0.7
281.22598	0.6
283.17444	0.7
283.20346	2.6
285.22379	0.8
287.16559	0.7
297.22101	2.8
299.20297	0.8
299.23489	4.4
301.21674	1.1
311.20035	0.6
313.21802	0.7
315.23239	1.0
325.21512	1.0
327.23264	0.8
333.24289	1.1
335.23721	0.9
339.23190	0.9
343.22702	0.9
347.23642	0.7
353.24689	0.7
353.83585	0.6
357.24319	1.2
405.31467	0.8
415.29938	1.7
421.26422	0.7
423.32544	1.4
433.30930	6.5
451.32034	9.0
463.59076	0.7
469.32913	4.6
487.33945	1.6
489.33176	0.7
497.36639	0.7
507.34860	1.1
515.37280	1.9
525.35718	18.1
526.35962	0.8
543.36780	100.0
544.36890	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	543.3679
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
50.04087	0.5
53.03926	1.5
55.01879	3.0
55.05505	15.8
57.03434	3.8
57.07066	1.2
59.04986	1.4
65.03941	0.9
67.05498	25.4
68.32640	0.5
69.03423	1.4
69.06720	0.7
69.07063	7.8
69.65228	2.4
69.65634	1.2
69.66019	0.5
71.04984	1.7
79.05486	18.0
81.03410	5.2
81.07048	21.8
83.04968	2.1
83.08614	9.0
85.06532	1.8
91.05473	17.3
93.07034	13.6
93.07627	0.8
95.04954	6.3
95.08595	11.5
97.06539	2.6
97.10157	6.6
98.10283	0.5
103.05488	0.8
105.07024	14.1
107.04945	3.1
107.08582	8.9
109.06517	2.5
109.10141	8.8
111.08068	2.4
115.05467	1.4
117.07005	9.3
119.08569	11.2
121.06496	3.9
121.10139	4.7
123.08041	1.2
123.11694	2.0
125.09605	6.2
128.06212	2.8
129.06993	9.8
129.07909	0.8
131.04898	0.6
131.08551	15.1
133.06490	1.8
133.10104	8.1
134.13907	0.5
135.08025	2.4
135.11668	2.9
137.09631	1.2
141.06934	3.0
142.07762	2.2
143.08553	10.0
144.09306	0.6
145.06467	2.6
145.10107	12.3
145.11273	0.6
147.08026	2.2
147.11682	5.9
149.09596	1.7
149.13245	1.3
151.07532	1.0
153.07042	0.9
153.09122	0.9
154.07729	1.2
155.08543	5.8
156.09334	0.7
157.06487	1.6
157.10101	10.3
159.08034	3.9
159.11679	8.6
161.09612	1.6
161.13237	2.2
163.11198	1.6
164.37782	0.4
165.05537	0.6
165.06915	0.7
165.09114	0.7
167.08551	3.1
168.09312	0.5
169.10118	6.6
171.08026	2.2
171.11661	7.9
171.13066	0.4
173.09608	1.8
173.11821	0.8
173.13234	5.3
175.11208	2.0
175.14844	0.8
177.12682	0.5
179.08571	1.0
179.10789	0.6
181.10115	3.4
183.08130	0.6
183.11679	4.9
185.09572	2.4
185.13258	6.1
187.11127	1.9
187.13300	0.5
187.14789	2.6
189.11206	2.1
189.12692	1.0
193.10310	1.1
193.12312	2.1
195.11661	4.2
197.13220	3.6
199.11171	1.4
199.14787	3.6
201.12779	1.4
201.16386	0.7
207.11702	1.4
209.13252	2.5
211.11205	0.9
211.14853	2.4
213.12834	0.9
213.16451	1.7
215.14282	1.0
221.13303	1.3
223.14851	1.7
225.16478	1.0
227.12582	3.1
229.14240	1.0
233.13179	0.6
233.15323	0.6
235.14827	0.7
237.16379	1.2
239.18019	0.6
241.15953	0.9
241.19540	1.3
249.16533	0.7
251.17998	0.9
257.19070	0.8
259.20584	3.6
265.19583	1.4
267.15860	2.9
269.19257	0.6
271.20633	0.7
273.25555	0.5
279.21066	0.5
281.18994	0.6
281.22513	0.7
283.17377	0.6
283.20563	1.8
295.20654	0.6
297.22061	2.8
299.23633	5.3
301.21606	1.4
311.20206	0.9
315.23248	1.3
321.22241	0.7
323.24008	0.7
325.21756	1.1
333.24274	1.5
335.23553	0.8
339.23264	1.6
343.22769	0.6
353.24692	1.1
357.24203	1.6
367.26273	0.5
371.25943	0.7
405.31409	0.9
415.29990	1.5
423.32593	1.9
433.31030	5.3
435.27274	0.9
451.22391	0.6
451.32050	10.9
469.33221	6.1
487.34235	1.5
507.34677	1.0
515.37366	2.0
525.35754	18.4
526.35754	0.6
543.36761	100.0
544.37268	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	543.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.7
53.03942	1.2
55.01867	3.4
55.05255	1.4
55.05509	16.2
57.03428	2.9
57.07055	1.4
59.05001	1.2
65.03924	1.6
67.05502	25.5
69.03444	1.0
69.07062	9.1
71.04986	0.8
71.48644	1.8
79.05486	16.4
81.03401	6.2
81.07047	21.4
83.04985	2.1
83.08613	8.9
85.06544	1.4
87.98334	0.9
91.05469	16.9
93.07039	17.2
94.63280	0.8
95.04968	6.3
95.08607	12.3
97.06550	1.6
97.10159	8.3
105.07019	16.6
107.08578	9.7
109.06510	2.5
109.10156	8.1
111.08084	2.9
115.05475	1.5
116.06274	0.9
117.07018	11.0
119.08576	13.1
121.06495	2.3
121.10130	5.2
123.08083	2.0
123.11711	1.9
125.09615	5.0
128.06238	2.9
129.06989	10.3
131.08557	15.6
133.06520	1.0
133.10115	9.1
135.08061	2.4
135.11702	2.9
137.09593	1.1
141.07008	3.2
142.07761	1.6
143.08556	11.3
145.06497	2.6
145.10120	11.9
147.08046	2.6
147.11658	6.6
149.09610	1.5
151.11243	1.4
155.08534	5.8
157.06512	1.2
157.10117	8.6
159.08064	2.7
159.11656	8.6
161.09573	1.2
161.13286	2.8
163.11191	2.0
165.06998	0.9
166.07782	0.9
167.08560	2.4
169.10124	6.6
171.08063	2.3
171.10269	1.4
171.11642	7.6
173.09651	2.6
173.13237	5.2
175.11234	2.5
175.14844	1.1
179.08583	0.8
181.10110	3.7
182.10912	1.0
183.11702	5.8
185.09628	2.2
185.13251	6.7
187.11159	2.4
187.13249	0.9
187.14845	2.7
189.11237	2.3
193.10019	1.2
193.12228	2.3
195.11739	3.7
197.13304	3.7
199.11206	1.1
199.14830	3.0
201.16394	1.2
207.11684	1.6
209.13298	3.1
211.13127	1.4
211.14925	2.5
213.12755	1.0
213.16403	1.6
215.14122	1.4
219.11710	0.9
221.13376	1.1
223.14818	2.4
225.16408	1.1
227.12695	1.9
235.14819	1.6
241.19423	1.3
259.20654	3.3
265.19525	1.1
267.15994	3.1
283.20621	3.1
297.22177	3.5
299.20291	1.1
299.23767	3.6
315.23120	1.0
325.21835	1.0
327.23285	1.3
333.24399	1.5
337.55359	0.8
339.23212	2.1
342.14270	1.0
415.29947	2.5
423.32550	2.0
433.31027	7.6
451.32056	9.3
466.74625	0.9
469.32843	4.0
487.34052	1.5
504.15897	1.1
507.34674	2.4
515.37445	2.6
525.35687	18.8
543.36780	100.0
544.21759	0.8
544.37244	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	543.3676
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03933	2.2
55.01866	2.6
55.05267	1.2
55.05507	16.3
57.03432	4.6
57.07066	0.8
65.03922	1.5
67.05500	25.0
67.11156	0.9
69.03420	1.4
69.07061	8.5
69.80789	4.8
71.04997	1.6
79.05488	19.3
81.03403	3.9
81.07050	19.0
83.04970	2.0
83.08614	6.9
91.05474	16.0
93.07038	14.6
95.04967	5.7
95.08591	13.7
97.06519	2.3
97.10149	8.6
98.20846	1.6
105.07023	14.4
107.04940	3.0
107.08577	10.2
107.47573	0.7
109.06525	1.7
109.10159	8.1
109.67147	0.7
111.08067	1.8
115.05408	1.2
117.07012	10.8
119.08567	12.3
121.06495	2.6
121.10149	4.7
123.08060	1.3
123.11729	1.8
125.09606	4.3
127.17887	0.8
128.06219	2.3
129.07005	8.2
130.07774	1.2
131.08556	15.8
133.06473	1.2
133.10100	6.8
135.08028	2.4
135.11676	2.8
141.06975	3.4
142.07782	2.4
143.08530	10.9
145.06467	3.0
145.10110	15.6
147.08038	2.4
147.11685	6.2
149.09634	1.5
149.13263	1.6
155.08556	6.9
157.06445	1.1
157.10120	8.1
159.06047	0.8
159.08008	4.2
159.11659	9.3
161.09663	1.8
161.13261	2.4
163.11159	1.0
167.08560	3.3
169.10114	6.8
171.08099	1.9
171.11664	7.8
173.09642	2.5
173.11865	1.6
173.13190	6.2
175.11191	2.9
175.14787	1.3
179.08566	1.4
181.10126	2.8
183.11624	4.7
185.09644	1.9
185.13237	5.4
187.11142	2.0
187.13286	0.9
187.14879	2.3
189.11218	2.2
189.12752	1.3
193.10138	1.0
193.12282	2.4
195.11685	4.0
197.13164	4.3
199.11159	1.2
199.14809	2.9
201.12709	2.0
207.11745	1.0
209.13281	2.6
211.14874	2.7
213.12840	1.0
213.16428	1.8
215.17979	0.9
223.14798	1.2
225.16380	1.3
227.12776	2.9
229.14299	1.6
235.14873	1.3
237.16400	1.4
241.19507	1.6
259.20538	1.4
267.15897	3.1
267.54034	1.0
283.17032	1.0
283.20511	1.7
297.22150	1.8
299.23621	4.3
301.21591	1.8
315.23029	1.0
325.21600	1.1
333.24390	1.4
335.23431	1.1
339.23212	1.5
415.30032	1.3
423.32559	1.8
433.30917	7.1
451.31921	11.6
469.33240	4.7
499.34012	1.4
507.34586	1.3
515.37292	2.3
525.35651	15.2
526.36420	1.1
543.36737	100.0
544.37109	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	543.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02343	1.2
53.03944	3.5
55.01857	3.5
55.05503	14.6
57.03405	2.1
57.07059	1.5
64.11546	0.7
65.03913	1.9
67.05499	32.3
69.03403	1.7
69.06731	0.7
69.07067	11.4
69.34872	3.2
69.35297	3.1
71.04961	2.8
73.02869	2.0
77.03879	0.7
79.05483	43.7
81.03393	1.6
81.07048	36.5
83.04976	4.2
83.08601	8.7
85.06550	1.0
85.67537	0.6
91.05470	21.9
93.07036	59.9
95.04953	9.2
95.08595	46.5
97.02884	4.0
97.06491	3.7
97.10144	1.7
99.04427	3.1
103.05436	1.2
105.04485	1.3
105.07020	14.4
107.04946	6.5
107.08584	35.6
109.06473	2.6
109.10146	8.5
111.04406	1.3
111.08077	0.9
117.07005	11.0
119.07793	1.1
119.08573	15.8
120.55398	0.6
121.06501	6.4
121.10124	21.6
123.08047	1.0
125.05942	3.1
129.06992	1.4
130.07770	1.9
131.08546	5.8
133.10123	6.7
135.08012	2.0
135.11678	46.7
139.07552	1.6
143.08534	1.2
145.10106	26.5
147.11642	3.1
149.13257	3.4
159.11674	3.4
161.13219	2.0
163.11160	56.5
163.14810	1.3
173.13229	2.5
175.14775	0.6
181.12228	13.7
187.14822	1.3
189.52354	0.7
209.11751	2.6
220.46436	0.6
227.12755	100.0
228.13051	1.9
233.65306	0.7
243.21104	1.6
261.22141	6.5
283.15408	0.8
317.24762	2.8
488.54105	0.7
525.35431	0.8
543.36761	53.1
544.37030	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	10.5
55.05506	17.6
57.03425	7.6
67.05489	26.2
69.07058	26.6
70.12094	37.5
70.39570	7.2
79.05488	31.9
81.03413	10.6
81.07046	29.3
83.08611	10.9
89.06066	8.7
91.05499	41.3
93.07031	30.0
95.04952	15.8
95.08578	23.9
97.10158	7.7
105.07027	42.7
107.04943	9.9
107.08613	39.7
109.10191	13.6
117.07021	12.8
117.69658	7.4
119.08578	19.0
121.06509	39.1
121.10135	11.1
123.08142	11.9
129.07014	10.6
131.08521	13.4
133.10095	15.1
135.08044	59.7
137.05995	10.7
145.06506	8.3
146.07266	13.4
147.11681	10.1
149.05942	21.9
151.07552	23.8
159.07993	11.3
159.11604	12.8
162.06731	11.4
163.07538	100.0
165.09108	22.7
173.09605	11.3
175.07513	17.8
177.05495	28.3
177.09082	41.1
179.10583	15.0
183.11629	8.9
187.07457	17.8
189.09064	14.4
191.07053	41.5
191.10690	14.2
193.08643	14.9
195.08464	8.6
195.10222	63.2
201.09088	9.7
205.08627	26.7
209.07939	13.6
209.13202	13.6
212.08302	36.5
219.06511	10.1
227.10564	45.2
233.08109	25.0
239.10660	9.9
255.10133	57.5
269.15329	79.2
287.16272	11.2
297.14783	58.5
299.17413	9.5
315.15750	9.0
416.18274	7.8
491.24136	17.9
513.90826	8.3
526.35803	11.6
544.36798	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	3.3
55.05486	5.0
55.26745	1.5
57.03413	5.6
62.44527	1.5
65.96384	1.8
67.05499	8.7
69.07053	2.7
69.92843	4.9
69.93247	4.0
79.05478	10.6
80.05806	1.9
81.07030	7.5
83.08567	2.4
88.30711	1.6
91.05465	11.4
93.07011	6.4
95.04974	2.0
95.08591	4.6
97.06463	2.0
97.10149	2.5
99.81880	1.6
103.05441	2.5
105.07021	14.9
106.07375	1.7
107.08569	3.2
109.10172	2.0
117.06996	4.8
119.08551	3.8
120.05681	2.0
121.06498	16.9
121.10126	2.5
123.04393	2.4
131.08545	2.8
133.10074	2.8
135.08038	40.8
137.05951	6.7
138.06766	11.2
143.08572	2.0
145.06358	1.8
145.10146	2.2
146.07224	7.4
151.07547	2.4
153.09126	4.2
159.11691	2.5
162.06740	4.7
163.07532	41.1
165.09108	3.9
169.10117	1.9
171.11647	2.4
173.13188	2.5
177.09032	4.4
180.07738	4.9
183.11667	1.7
191.07019	3.7
195.10149	100.0
209.08052	6.2
219.06519	1.7
227.10612	2.5
233.08015	6.1
269.15216	3.0
292.79724	1.9
300.24356	1.9
315.15860	3.0
317.97675	1.7
366.56796	1.7
403.28583	2.5
418.93808	1.8
434.31281	2.4
452.32108	2.9
457.31680	2.1
526.35773	6.9
541.35406	1.8
544.37085	18.8
548.34180	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	544.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
53.08794	1.4
54.03984	1.2
55.05512	6.5
57.03413	4.1
66.91496	1.3
67.05505	7.6
68.05817	2.1
69.07054	2.6
70.12417	2.9
70.12809	2.4
79.05490	10.5
80.05803	1.8
81.03407	2.3
81.07047	8.4
81.18251	1.5
82.07360	1.6
83.08595	1.8
91.05467	11.4
92.05774	1.5
93.07021	6.2
95.04949	3.9
95.08588	6.0
95.36855	1.3
97.10136	1.9
98.20852	1.8
103.05422	2.2
105.07021	17.5
106.07319	2.2
107.04958	2.5
107.08559	5.3
108.08891	1.4
109.10159	4.9
117.07000	4.5
119.08549	4.4
120.05707	1.4
121.06498	21.5
121.10165	1.4
123.04414	1.8
123.08090	1.4
125.09612	2.3
129.06969	4.4
131.08546	6.5
133.10126	2.5
135.08046	40.1
135.11650	1.8
136.08379	1.9
137.05988	6.7
138.06705	9.8
143.08545	2.9
144.08859	1.9
145.06461	1.7
145.10104	2.8
146.07260	7.0
147.11642	1.3
153.09052	3.4
157.10146	4.1
159.11717	1.7
162.06735	6.0
163.07527	39.2
165.09027	1.7
167.08499	2.5
169.10077	3.1
171.11682	1.6
172.12016	2.0
173.13216	1.4
173.42163	1.6
177.09084	6.3
178.23648	1.4
180.07701	2.0
183.11572	1.8
185.13190	2.5
191.07059	4.0
195.10147	100.0
196.10419	1.8
209.08078	6.2
219.06512	2.3
227.10719	3.1
227.12787	1.9
233.08057	4.5
247.09677	1.5
255.10138	1.4
269.15204	2.5
276.20029	1.4
297.14944	2.7
300.23883	1.5
315.15836	1.8
434.31186	2.4
452.32315	3.2
470.33127	2.6
526.35968	9.7
544.37061	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49607	4.8
55.01861	9.7
55.05488	13.3
65.71480	5.7
67.05476	19.8
69.07050	27.8
70.84510	13.3
79.05485	32.4
81.03400	11.4
81.07060	27.6
83.04980	5.2
83.08591	7.9
91.05472	31.8
93.07013	24.2
93.09357	5.0
94.07369	6.1
95.04957	7.0
95.08573	13.8
97.10146	9.9
103.05412	6.6
105.07027	46.1
107.08565	37.9
109.06506	7.3
109.10151	10.3
115.05474	8.3
117.06992	13.5
119.08546	24.8
120.08824	5.9
121.06469	33.5
123.07980	7.8
129.06967	11.9
131.04887	7.8
131.08527	13.8
133.10107	16.1
135.08025	43.6
135.11633	9.3
137.05928	8.9
141.06981	6.8
143.08530	7.8
145.06491	7.7
145.10124	10.8
146.07202	17.5
147.08102	5.3
147.11678	6.2
149.05960	30.4
149.09541	10.8
151.07576	15.3
155.08511	5.9
157.06409	6.1
157.10141	7.5
158.07245	8.2
159.08020	10.4
159.11647	7.7
162.06810	5.4
163.07527	91.2
163.55374	5.7
165.09073	21.5
167.08510	6.6
169.10097	7.1
171.11737	6.6
173.09509	12.1
174.06723	5.4
175.07542	20.2
177.05450	37.1
177.09119	33.7
179.10645	12.2
180.07826	9.5
187.07510	23.2
188.08237	9.1
189.09052	14.8
191.06946	53.6
191.10686	28.8
193.08730	7.3
194.10899	8.8
195.08116	13.6
195.10132	60.0
196.08821	7.5
197.05873	5.1
199.07462	9.8
199.11214	11.4
201.09122	16.7
205.08571	23.7
209.07988	16.5
209.09650	16.7
209.13211	14.0
212.08313	45.3
213.09135	15.0
214.37030	5.5
222.10347	5.9
225.09067	6.6
226.09676	7.2
227.07016	9.8
227.10651	81.0
229.08516	7.6
233.08136	29.0
237.12799	12.1
241.12218	8.6
245.15320	6.5
247.09595	12.2
255.10109	71.9
255.13768	7.3
269.15344	100.0
273.11182	5.5
275.20218	6.5
297.14819	98.9
315.15762	10.9
409.16455	11.7
427.17593	8.7
452.32611	6.6
470.33768	6.0
473.22894	7.3
491.24216	23.0
526.36053	19.4
544.37085	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	545.347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07370	5.3
53.03936	12.5
55.01848	7.6
55.05501	30.6
57.03421	9.1
64.21487	6.9
67.05499	99.6
69.03407	15.2
69.07042	26.3
69.30036	17.0
69.30464	46.1
71.04978	6.8
79.05485	74.1
81.03411	40.5
81.07042	100.0
82.87927	5.5
83.04967	12.7
83.08594	19.6
83.72752	5.9
85.02900	17.7
91.05474	56.6
93.07034	84.2
95.04968	21.0
95.08596	71.7
97.02884	9.9
97.10143	8.5
98.20792	12.5
99.04396	5.9
99.08120	6.4
105.07005	97.9
107.04938	6.9
107.08608	40.1
109.02843	8.5
109.06512	11.9
109.10153	35.4
111.04433	7.7
117.06982	21.8
119.08542	34.2
121.06450	7.8
121.10123	37.6
123.11685	17.2
129.06956	7.4
131.08527	30.0
133.10110	28.8
135.11647	29.6
137.13199	6.4
145.10109	20.3
147.11684	23.8
149.13211	11.7
155.08501	5.9
157.10106	21.4
159.11656	8.2
161.13232	19.2
169.10132	7.0
171.11737	10.2
173.13258	11.5
179.14250	24.2
180.32881	6.1
183.11720	9.2
187.14894	10.6
193.12358	14.3
195.11870	6.6
199.14737	9.0
211.13281	14.9
243.21329	8.9
261.22159	17.7
267.15900	10.0
277.21643	16.7
285.22266	6.6
301.25095	9.4
303.23102	17.0
315.23230	11.1
369.24084	22.1
387.25342	22.8
405.26471	21.4
423.27255	9.1
435.32312	6.4
471.34726	8.1
527.37170	26.7
545.38440	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27510	1.8
53.03935	6.1
54.42580	1.7
55.01862	7.2
55.05505	47.3
56.97798	1.8
57.03437	12.7
57.07055	4.3
65.03942	3.4
67.05499	85.9
69.03415	4.4
69.07059	21.5
70.72655	3.7
71.04971	3.9
74.75562	2.2
79.05488	58.1
81.03415	27.7
81.07047	74.9
83.04970	8.8
83.08609	21.9
85.02918	3.9
85.06499	3.5
91.05470	46.6
93.06475	3.7
93.07034	54.1
95.04954	26.6
95.08598	53.4
97.06530	6.7
97.10155	26.8
99.08054	3.5
105.07026	39.8
106.07891	1.8
107.04951	7.2
107.08582	33.5
109.06498	9.3
109.10150	33.2
111.08071	3.4
117.07021	19.4
119.08569	28.0
120.08849	1.7
121.06509	8.0
121.10117	18.9
123.08076	5.9
123.11685	10.4
125.09626	20.1
128.06187	2.1
129.07008	9.4
131.08534	28.3
133.06477	2.8
133.10118	24.7
135.08057	6.6
135.11690	15.3
137.09563	3.7
137.13237	2.4
141.06947	3.9
142.07715	3.5
143.08546	9.2
145.06406	2.4
145.10136	23.7
147.08073	3.1
147.11664	15.3
149.09570	5.7
149.13261	9.5
151.11143	1.8
153.09160	3.0
155.08563	6.3
157.10078	12.1
158.75299	1.7
159.08098	3.1
159.11656	17.8
161.09567	3.0
161.13217	9.6
163.11206	4.8
163.14803	3.3
169.10136	7.4
171.10310	3.1
171.11694	8.4
173.09729	2.3
173.13191	11.5
175.11192	4.9
175.14830	3.8
177.12808	3.5
181.10039	1.9
183.11722	4.5
185.13277	5.6
187.11206	3.5
187.14825	6.6
189.11185	10.8
189.12724	2.2
193.12270	12.8
195.11696	3.3
197.13226	4.5
199.14764	4.7
211.13264	5.5
211.15025	2.3
213.16403	3.4
224.63173	1.9
225.16318	2.4
227.12758	17.0
243.21086	2.6
247.16919	2.4
256.98325	2.0
261.22159	11.1
267.15936	23.7
279.23447	2.3
285.22211	3.2
287.19925	2.4
301.25098	18.8
317.24759	2.7
335.25842	13.3
403.24561	1.8
421.25656	4.6
435.27444	3.4
435.32706	8.0
453.33560	16.3
471.34549	10.1
509.36285	3.7
527.37335	57.2
545.38312	100.0
546.38434	5.8
553.42230	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	545.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.0
55.01864	2.8
55.05505	24.9
56.49924	1.0
57.03429	8.5
57.07059	3.2
65.03934	3.8
67.05497	54.6
69.03416	5.0
69.07054	15.4
69.82382	1.1
70.88047	3.5
71.04973	6.4
79.05486	56.8
81.03409	41.6
81.07047	59.4
83.04981	9.1
83.08611	22.4
85.02894	22.0
85.06532	2.8
89.71310	1.4
91.05472	42.8
93.07032	57.6
95.04955	22.2
95.08598	35.9
95.09051	0.7
97.02885	1.7
97.06514	6.8
97.10152	9.4
99.08111	1.2
103.05450	2.2
105.04533	1.5
105.07009	29.9
106.07407	1.5
107.04942	4.8
107.08586	27.3
109.06510	4.4
109.10152	15.5
111.04465	1.7
111.08068	8.8
113.05982	1.5
115.05473	1.5
117.07010	8.1
119.08564	24.3
119.09357	1.8
121.06515	2.8
121.10128	24.0
121.11016	1.3
123.08073	2.9
123.11712	4.2
125.09614	6.1
128.06303	1.2
129.06987	10.0
131.08557	19.3
133.06476	2.0
133.10126	18.2
135.08081	2.0
135.11676	11.3
137.09563	3.0
142.07799	1.8
143.08574	3.7
145.10091	11.9
147.08049	1.8
147.11665	16.5
149.09584	3.7
149.13269	4.5
149.62930	1.2
153.66235	1.0
155.08586	3.0
157.10100	10.7
158.07257	1.3
159.11668	7.5
159.81911	1.3
161.13187	5.6
163.11134	1.6
163.14804	1.6
165.12747	2.2
166.62447	1.1
169.10165	3.3
171.11714	3.9
173.13280	5.1
175.11153	8.0
175.14824	3.1
183.11699	2.7
185.13286	3.0
187.14806	1.6
189.11215	3.1
193.12224	41.5
197.13335	2.1
199.14801	1.6
201.16331	2.5
211.13252	46.5
227.12784	5.1
235.14673	1.5
259.20569	1.5
261.22180	7.2
267.15851	6.3
269.17337	1.4
273.22092	1.2
285.22086	2.2
301.25269	4.4
303.23132	2.2
317.24432	1.5
330.84653	1.5
335.25790	6.4
359.25540	1.6
435.32489	6.7
437.12070	1.2
453.33600	6.0
471.34830	4.1
509.36752	1.5
527.37207	21.5
528.37524	1.6
545.38330	100.0
546.38593	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	545.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.2
53.03937	5.2
55.01855	2.8
55.05505	28.9
57.03429	9.1
57.07058	1.4
59.04979	1.2
59.83663	0.9
65.03929	3.1
67.05499	58.8
69.03417	3.6
69.07063	13.8
69.94051	5.4
70.48999	0.9
70.68554	0.9
71.04991	5.5
79.05486	56.0
81.02930	1.9
81.03410	40.8
81.07048	56.5
83.04978	9.8
83.08611	21.6
85.02894	19.9
85.06551	1.5
91.05470	45.4
93.07035	51.9
95.04951	24.1
95.08598	37.1
97.02886	2.5
97.06525	4.5
97.10167	8.0
98.21432	1.4
99.08050	1.6
105.04523	1.5
105.07022	30.4
107.04938	4.3
107.08584	24.7
109.06491	4.1
109.10148	15.7
111.04446	2.1
111.08050	10.8
113.05997	1.5
115.05435	2.1
117.06994	9.4
119.08566	30.2
121.06480	2.4
121.10127	26.5
123.08077	2.8
123.11674	4.6
125.09594	6.0
128.06224	1.2
129.06995	10.4
131.08542	19.9
133.06470	1.6
133.10117	17.7
135.08022	2.4
135.11682	11.1
137.09630	2.9
141.06935	1.5
142.07756	2.3
143.08542	3.6
145.10129	11.3
147.08005	1.5
147.11641	15.5
149.09650	5.2
149.13275	5.8
155.08530	3.3
157.10114	9.3
159.11642	7.8
161.13249	5.5
163.11198	1.3
163.14818	2.0
165.12741	3.1
169.10110	2.2
171.11786	2.3
173.13225	4.7
175.11179	10.0
175.14822	2.9
183.11659	2.9
185.13258	2.4
187.14789	2.8
189.11211	3.3
189.16309	1.2
193.12230	44.5
195.11899	1.2
197.13374	1.4
199.14864	1.4
201.16428	1.3
211.13261	47.9
227.12750	4.3
229.14195	1.3
243.21072	1.5
261.22141	6.6
266.95938	1.0
267.13382	1.1
267.15836	5.4
285.22147	2.8
299.23755	1.8
301.25195	4.6
303.23227	2.3
317.24756	1.7
335.25754	3.8
341.24619	1.3
359.26093	1.6
417.31686	1.6
435.32437	6.3
453.33682	5.0
471.34592	3.0
509.35873	1.3
527.37183	18.1
545.38336	100.0
546.38629	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	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.5
55.01860	5.0
55.05503	31.2
57.03436	10.5
57.07053	2.8
65.03927	5.9
65.95948	1.7
67.05498	69.5
69.03415	4.7
69.07055	16.2
70.88305	5.3
71.05003	7.7
79.05483	65.8
79.05824	1.4
79.05951	1.8
81.03407	47.6
81.07047	64.6
83.04988	13.5
83.08609	27.2
83.09064	3.2
85.02892	26.0
85.06533	2.4
85.86131	1.6
91.04904	1.9
91.05473	50.3
93.07033	67.4
95.04952	28.5
95.08596	41.7
95.09176	3.3
97.02850	2.4
97.06511	6.4
97.10162	8.9
105.04506	2.4
105.07017	35.3
107.04954	7.5
107.08572	29.6
109.06538	4.7
109.10126	17.6
111.04397	2.0
111.08081	10.3
113.06009	2.1
117.07008	9.7
119.08572	28.9
121.06493	2.8
121.10128	23.3
123.08055	3.3
123.11694	5.3
125.09602	7.5
129.07016	13.0
131.08553	24.5
133.06493	2.3
133.10112	18.6
135.08023	2.4
135.11673	12.5
137.09721	1.6
141.07004	1.9
143.08578	3.3
145.10100	12.3
147.07990	2.4
147.11681	18.8
149.09601	4.4
149.13245	6.5
155.08481	1.6
157.10106	11.7
158.92497	1.8
159.11642	8.9
161.13272	6.1
163.14879	1.8
165.12675	2.1
171.11717	3.9
173.13249	6.8
175.11163	12.9
175.14897	2.2
183.11732	2.4
187.14725	2.3
189.11147	1.9
189.16556	2.0
193.12228	45.1
193.13870	3.3
194.12593	2.1
197.13283	2.3
211.13260	45.4
227.12794	3.7
243.20860	2.5
261.22153	6.7
267.16061	7.6
301.22083	1.7
301.25339	6.1
317.25021	2.0
335.25748	6.7
339.90939	1.8
435.32697	5.7
453.33728	3.3
471.34702	2.2
527.37170	16.8
532.70313	1.8
545.38312	100.0
546.38800	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	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
55.01862	3.8
55.05506	33.4
57.03441	8.5
57.07064	1.5
59.04976	2.0
59.27044	1.2
60.30463	1.3
65.03926	5.6
65.52672	1.2
67.05501	66.1
69.03404	4.8
69.07058	17.0
70.05869	6.6
70.06158	1.9
71.04992	7.6
75.63379	1.3
79.05488	64.7
80.05833	1.4
80.24896	1.2
81.03414	46.6
81.07051	61.8
83.04968	10.8
83.08616	22.6
85.02893	26.0
85.06515	2.9
91.05476	54.8
93.07034	58.8
94.07343	1.5
95.04964	26.1
95.08599	39.7
97.02882	2.3
97.06531	5.8
97.10147	8.8
98.20764	1.6
99.08099	1.3
101.99152	1.2
105.07029	33.9
107.04951	5.2
107.08589	27.6
109.06515	4.3
109.10146	17.8
111.04430	2.8
111.08075	8.3
113.05965	2.3
115.05436	2.6
116.06194	1.6
117.07016	11.6
119.08576	29.0
119.71156	1.3
121.06483	2.1
121.10129	31.4
123.08024	2.5
123.11707	5.1
125.09618	5.6
128.06235	1.9
129.06985	10.0
130.07806	1.9
131.08546	22.0
133.06450	1.6
133.10101	17.1
135.08047	2.2
135.11678	13.9
143.08488	1.5
145.10117	12.5
147.08038	1.9
147.11678	14.8
149.09619	6.0
149.13258	3.7
151.11064	2.0
155.08517	2.4
157.10103	12.6
159.11674	5.8
161.13242	5.2
161.29420	1.4
163.14876	1.6
165.12822	2.8
169.10129	1.3
171.11644	2.0
173.13258	4.3
175.11183	11.2
175.14749	2.6
183.11768	1.7
185.13232	2.5
187.14900	2.7
189.11218	3.2
193.12224	45.8
201.16328	1.6
211.13272	49.2
211.15245	2.5
227.12793	3.7
261.22141	5.5
267.15942	5.7
285.22006	2.1
301.25281	5.9
335.25854	5.6
435.32886	3.0
453.33746	4.6
471.34683	2.8
509.36261	1.5
527.37177	17.4
545.38306	100.0
546.38641	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	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
55.01859	5.5
55.05508	39.2
56.74729	2.1
57.03425	7.4
57.07073	5.9
60.40901	2.5
65.03947	5.0
67.05502	78.9
68.96208	2.3
69.03432	3.8
69.07063	23.2
69.23165	2.0
71.04994	4.8
71.08624	3.6
71.19898	4.0
76.34424	2.2
79.05489	51.4
81.03408	28.3
81.07054	65.7
83.04962	6.7
83.08609	24.4
85.06532	3.7
91.05476	50.3
91.06019	3.8
93.07038	56.1
95.04979	23.1
95.08603	45.2
97.06506	7.1
97.10160	22.2
105.07024	43.7
107.04956	10.7
107.08583	30.8
109.06527	6.2
109.10142	27.9
111.08082	6.6
115.05386	3.1
117.05363	2.1
117.07023	22.9
119.08587	31.6
121.06528	5.8
121.10132	21.8
123.08045	4.2
123.11720	8.4
125.09666	13.5
128.66904	2.3
129.06973	13.5
131.08546	38.1
133.06500	5.1
133.10126	24.5
135.08028	5.1
135.11710	12.2
135.17374	2.1
137.09619	3.2
137.13318	3.4
142.07848	3.3
143.08559	19.1
145.10106	18.9
147.08067	5.1
147.11652	13.7
149.09631	8.8
149.13268	8.7
151.11201	3.3
153.06987	2.1
155.08577	9.2
157.10114	16.1
157.80872	2.2
159.08073	5.3
159.11652	11.7
161.09705	4.1
161.13229	11.5
163.11214	4.9
163.14850	6.9
167.08618	2.4
169.10126	11.5
171.11649	14.1
173.09621	4.4
173.11963	2.5
173.13208	11.8
175.11195	6.4
175.14822	4.2
177.12849	3.0
181.10141	4.3
183.11705	7.7
185.13271	6.6
187.14844	9.9
189.11226	9.7
193.12225	11.6
195.11778	3.3
197.13271	6.7
199.14847	4.6
201.16383	5.5
211.14923	4.2
213.16479	3.0
223.14958	3.0
225.16389	4.6
227.12856	7.9
233.22552	2.7
241.19394	2.5
243.21092	9.0
261.22110	16.5
267.15909	36.7
275.20026	2.8
277.21967	2.7
279.23285	4.4
283.24002	3.4
285.22147	5.7
301.22226	2.5
301.25061	14.5
303.23282	5.1
335.25815	18.6
407.24200	3.2
407.33014	3.6
417.31683	2.7
425.34329	4.7
428.08017	2.4
435.32550	14.0
453.33496	22.3
471.34732	13.3
509.36197	2.8
527.37323	74.2
545.38367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.9
55.01859	2.7
55.05503	33.5
55.92028	2.4
57.03419	6.0
57.07066	6.9
57.26818	2.1
65.03930	3.6
67.05499	61.9
69.07062	27.3
69.86645	14.0
71.04998	4.7
79.05484	43.0
81.03414	7.2
81.06586	4.7
81.07051	73.7
83.04977	8.8
83.08603	13.5
85.06523	5.2
91.05470	43.8
93.07034	63.3
95.04952	9.2
95.08597	45.0
97.06491	5.3
97.10164	10.4
105.07032	45.2
106.06563	6.5
107.04992	2.8
107.08582	36.9
109.06519	5.1
109.10149	20.0
111.08059	4.2
117.07027	24.8
119.08562	41.9
121.06504	3.9
121.10142	27.1
123.08047	3.5
123.11759	3.4
125.09607	6.0
128.06200	5.6
129.07034	12.1
130.07785	4.5
131.08549	42.5
133.06499	4.7
133.10106	31.1
135.08061	3.5
135.11687	13.7
141.06990	2.7
143.08551	16.3
145.10095	32.2
147.11659	27.3
149.09671	3.2
149.13248	11.0
151.07582	2.9
155.08556	7.5
157.10120	15.1
159.11685	25.2
161.13245	11.4
163.14799	4.1
165.12790	4.4
167.08516	3.6
169.10115	10.3
171.11723	18.6
173.09552	2.3
173.13268	16.4
175.11253	6.2
175.14850	4.0
177.12762	3.3
179.14473	2.6
183.11682	11.6
185.13208	12.3
187.11186	4.4
187.14838	8.7
189.12842	2.8
193.12186	3.3
195.11755	4.9
195.13681	3.6
197.13255	9.6
199.14816	10.2
201.12619	3.9
208.54808	2.6
209.13235	4.6
211.14857	3.0
213.16406	4.3
219.06194	2.3
222.16304	2.5
225.16286	3.9
237.16435	3.2
241.19446	6.7
259.20657	16.1
261.22192	3.8
267.15900	5.9
269.17188	4.3
277.21768	5.7
285.22220	3.5
297.22144	7.0
301.24927	3.2
303.23514	3.1
313.21820	2.8
315.23270	3.7
333.24124	7.3
417.31351	6.8
425.33646	4.9
435.32608	22.5
453.33527	24.1
471.34631	22.8
499.37469	3.9
501.35638	3.5
509.36380	4.7
515.37000	3.4
517.38733	13.3
527.37280	100.0
528.37292	5.3
545.38275	81.5
546.38843	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
55.01867	9.6
55.05506	47.2
57.03424	14.9
57.07061	7.9
58.89710	4.9
65.03933	5.4
65.68217	5.3
67.05499	83.9
68.05834	4.4
68.48891	4.6
69.03430	5.2
69.07062	25.5
70.68164	10.3
71.08628	6.8
77.91870	4.6
79.05484	65.9
81.03417	27.2
81.07050	84.8
83.04987	10.4
83.08633	26.1
83.75592	4.7
85.02884	5.4
91.05486	65.7
93.07037	57.1
95.04966	17.7
95.08610	45.1
97.06494	11.0
97.10160	29.4
105.07029	62.8
105.73400	4.5
107.04939	18.3
107.08583	48.6
109.06517	11.4
109.10152	41.2
111.08064	9.9
117.07019	38.0
119.08601	42.6
121.06507	14.4
121.10092	22.1
123.08072	7.6
123.11690	8.5
125.09599	20.3
128.06204	6.5
129.06992	17.0
131.08563	43.9
133.06500	7.0
133.10136	28.5
135.08047	8.2
135.11690	13.3
141.06979	9.7
142.07730	5.8
143.08548	20.5
145.06438	6.6
145.10106	37.3
147.11697	19.4
149.09610	7.9
149.13208	6.2
151.07541	9.6
151.11183	7.7
152.52911	4.5
155.08496	8.6
157.10085	22.6
159.11688	15.5
161.13231	10.3
163.07483	6.2
163.14813	6.6
165.05548	6.2
165.09120	6.4
165.12762	4.7
167.08562	5.7
169.10100	9.7
171.11673	12.6
173.13272	16.0
175.14778	9.8
177.12721	5.1
183.11736	7.8
185.13318	8.6
187.14735	8.7
189.11285	11.5
193.12219	8.7
195.10194	5.8
199.14902	7.0
201.16451	7.2
209.13231	6.0
211.14804	9.0
227.12711	15.2
243.20920	6.2
257.19049	6.3
261.22168	18.9
267.15894	26.5
275.20035	5.6
279.22968	4.8
285.22049	8.0
301.25146	14.2
335.25705	13.0
337.59567	4.8
355.26541	4.9
400.25284	4.8
417.31793	5.4
435.32346	26.1
453.33578	27.6
471.34555	20.9
527.37378	81.3
545.30554	6.8
545.38403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	16.8
55.55605	4.4
60.07082	4.8
67.05489	21.2
69.07055	16.2
69.61977	20.4
69.62395	12.4
71.73280	4.6
79.05492	29.0
81.07047	36.3
82.45000	5.0
83.04977	4.7
83.08614	14.6
84.49807	4.8
91.05463	29.5
93.07049	27.5
95.04934	8.5
95.08583	20.7
97.06553	6.3
97.10120	7.3
105.07024	23.5
106.75466	7.1
107.04931	17.8
107.08574	7.0
109.10130	14.8
118.98402	5.3
119.08602	11.0
120.08904	5.9
121.06503	46.4
121.10078	8.2
123.11720	10.8
123.79516	6.1
131.08553	7.7
133.06505	8.3
133.10066	9.5
135.08041	13.4
135.11687	6.4
137.05910	4.8
145.10121	7.8
147.04408	16.4
149.05963	87.4
149.09581	6.5
151.07521	57.7
159.11652	8.4
161.05978	6.0
161.09396	7.3
162.06741	70.0
163.07484	19.0
165.09068	9.9
167.07043	28.5
175.07559	12.2
177.05473	60.0
177.09216	7.3
181.08473	5.9
185.13249	5.6
189.09055	16.5
191.07016	11.3
191.10635	17.0
193.08578	100.0
195.06448	24.5
195.10132	29.3
201.08926	6.3
203.10535	7.9
214.06584	5.4
217.08662	8.0
217.12187	5.3
233.08090	5.5
245.11826	7.5
273.18396	25.5
312.23846	5.6
513.07867	5.7
528.37494	20.7
546.22321	6.3
546.38959	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.0
55.01849	4.4
55.05491	16.0
57.03411	9.7
57.83279	3.7
59.67813	4.5
62.07112	3.3
65.03929	5.4
67.05495	67.1
69.07053	20.8
70.89273	3.9
71.04973	5.5
71.53178	6.7
77.08311	3.5
77.66920	3.5
79.05479	40.5
81.07047	66.0
83.04948	8.7
83.08578	5.2
85.06537	9.4
91.05470	75.6
92.05820	3.5
93.07026	51.8
95.04931	11.5
95.08571	26.5
97.06524	8.1
99.04414	4.0
100.88084	3.6
105.07022	80.1
107.04919	3.7
107.08576	52.8
109.06472	6.5
109.10146	55.8
117.06985	12.1
119.07777	5.4
119.08569	48.1
121.06404	5.0
121.10120	12.9
123.08052	3.9
123.11726	9.8
127.07567	3.6
129.06982	8.4
131.08521	25.9
133.10112	100.0
135.08061	4.7
135.11639	12.9
143.08545	7.5
145.10162	11.4
147.11656	36.7
149.13243	12.9
151.07521	10.6
151.11143	44.6
157.10162	6.4
159.11676	17.4
161.13206	28.9
169.12086	8.2
171.11711	7.6
173.13222	8.1
175.14813	12.3
179.10555	4.1
185.13231	11.0
189.09007	4.8
203.14304	3.6
215.17905	4.6
231.21019	7.2
241.19402	28.7
253.14301	74.5
259.20557	67.7
271.15378	53.6
277.21625	4.2
315.23083	5.2
333.24216	44.4
506.95047	3.9
511.33948	6.2
529.35284	19.6
547.37061	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	547.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01862	6.2
55.05499	16.8
57.03418	11.2
57.07077	2.8
65.03922	2.4
67.05496	72.3
69.03416	4.0
69.07057	19.3
71.04984	6.1
71.52842	3.1
73.07581	1.6
79.05482	46.6
81.03406	3.7
81.07048	69.5
83.04961	6.3
83.08608	5.4
85.06539	10.9
91.05470	79.0
92.05810	1.7
93.07034	50.0
95.04951	9.1
95.08595	26.7
97.06524	3.8
97.10168	3.5
99.04449	4.4
99.08096	1.9
105.07017	88.7
107.08582	59.6
109.06509	8.8
109.10136	74.1
111.08014	2.1
113.05988	2.3
117.07008	15.8
119.08568	43.7
121.06535	3.0
121.10127	16.8
123.08061	2.7
123.11693	13.9
125.09505	1.9
127.07531	3.8
128.06210	2.2
129.06981	7.4
131.04836	1.9
131.08574	18.5
133.06477	2.3
133.10110	100.0
135.08128	1.9
135.11684	17.6
143.08542	5.5
145.10121	15.5
147.11664	33.8
149.06003	2.0
149.13226	7.0
151.07555	4.1
151.11166	50.7
155.08542	2.5
157.10110	8.3
159.11714	14.8
161.09659	2.4
161.13234	32.8
163.14856	4.4
169.12215	12.1
171.11708	9.0
173.13263	10.8
175.11215	1.9
175.14793	17.1
185.13231	10.6
187.14769	4.6
199.14796	6.4
201.16449	1.8
203.14366	2.1
213.16379	4.4
215.12819	5.3
217.19559	3.0
226.43320	1.7
231.21109	8.2
241.19481	30.0
253.14308	77.3
257.18851	2.0
259.20532	68.2
271.15372	56.8
275.20047	2.6
277.21680	7.2
315.23227	4.8
333.24216	37.1
351.25446	3.2
437.30377	3.1
455.31729	2.9
511.34119	6.7
529.35107	23.4
547.36407	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	547.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
53.74397	1.9
55.05502	22.2
57.03425	10.5
57.07060	5.7
65.03930	4.6
67.05499	95.3
68.04765	1.8
69.07057	24.6
69.22375	20.2
71.04987	2.8
77.75861	1.9
79.05480	41.3
81.03392	3.7
81.07048	100.0
83.04968	4.2
83.08604	14.3
85.06537	6.3
87.05671	1.8
91.05468	35.0
93.07031	63.1
95.04959	6.6
95.07980	3.2
95.08594	63.1
97.06525	5.2
97.10159	6.7
99.08075	2.5
105.07021	28.7
107.08578	35.8
109.10148	33.9
111.08080	3.6
113.98122	1.8
117.07000	11.9
119.08567	30.5
121.10126	25.1
123.08043	2.8
123.11697	11.3
125.09654	3.7
128.06190	1.9
129.06955	4.3
131.08556	21.7
133.10106	24.4
135.11690	17.7
137.09608	2.7
137.13275	4.7
143.08539	6.3
145.10098	16.3
147.11662	21.3
149.09708	2.1
149.13257	24.5
149.74095	2.2
151.07504	2.4
155.08542	3.0
157.10126	7.3
159.11684	17.5
161.13260	13.0
163.14796	5.7
165.12798	3.1
171.11668	6.1
173.13240	14.3
175.14796	5.9
177.12752	4.0
185.13252	5.8
187.14769	4.1
191.14259	2.6
195.13803	8.1
199.14854	3.3
201.16287	3.1
213.14862	2.1
215.17871	2.2
229.14297	6.1
243.15852	3.0
243.20892	4.7
247.20593	3.3
259.20313	3.2
261.22119	18.8
267.15921	4.9
269.17480	15.5
283.19205	2.4
287.23749	3.2
288.76715	2.1
301.25253	8.3
316.54745	2.0
317.24652	3.3
335.25687	15.9
437.33963	10.7
455.35056	15.3
473.36316	12.8
503.37042	4.2
511.37607	4.7
529.38806	65.9
547.40167	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
55.01874	3.4
55.05507	29.7
55.41684	1.7
57.03445	9.7
57.07067	9.7
65.03939	5.5
67.05499	96.7
69.03441	2.7
69.07069	21.3
70.13754	7.4
71.05001	7.6
71.08628	3.5
79.05489	42.6
81.03412	43.3
81.07048	85.4
83.04988	11.1
83.08617	27.8
85.02904	21.6
85.03285	1.8
85.06553	3.9
85.10213	1.8
91.05469	41.4
91.05992	2.3
91.57925	1.9
93.07037	36.1
95.04963	25.8
95.05468	2.2
95.08603	57.1
97.06564	7.3
97.10163	10.6
98.20782	2.3
105.07030	31.6
105.07665	2.3
107.05023	2.6
107.08581	17.8
109.06545	5.6
109.10149	24.4
109.10815	2.2
111.04495	4.0
111.08101	10.0
117.07066	4.6
119.08576	23.9
121.06516	2.3
121.10120	15.9
122.13548	1.9
123.04431	2.8
123.08097	3.2
123.11709	12.1
125.09655	4.1
129.06943	8.8
131.08566	12.4
133.06508	2.6
133.10115	13.8
135.11713	9.1
137.09674	3.0
137.13326	3.2
143.08568	2.6
145.10153	5.2
147.08099	4.0
147.11646	15.7
149.09674	5.4
149.13298	2.6
157.10132	11.8
159.11760	2.4
163.14906	3.4
165.12820	2.1
173.13385	2.7
175.11165	14.1
175.14844	3.9
189.16377	3.3
193.12256	46.7
199.14972	3.0
211.13295	49.9
211.15230	2.7
217.16023	2.7
227.12772	2.8
235.13411	2.6
245.22739	2.4
253.02586	1.9
262.86206	2.0
263.23904	6.9
267.16061	6.7
268.10370	1.9
299.27939	2.0
334.82428	2.0
337.27408	5.1
437.34076	3.3
455.35440	4.1
529.38831	14.4
547.40210	100.0
548.39972	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.2
55.01867	3.5
55.05510	25.3
57.03433	7.3
57.07066	4.3
57.55401	1.1
65.03930	2.5
65.15833	1.1
67.05501	73.0
68.05785	1.3
69.03418	1.5
69.07066	19.5
69.47160	6.4
69.47569	2.6
71.04986	5.5
71.08618	2.1
79.04794	1.3
79.05488	29.9
79.05913	2.3
81.02926	1.6
81.03412	39.7
81.07050	71.4
82.07387	1.2
83.04985	8.7
83.08611	21.8
85.02897	18.2
85.06533	2.8
91.05476	35.2
91.06023	2.5
91.95605	1.2
93.07037	31.4
93.83144	1.2
95.04958	21.0
95.08600	43.8
97.02887	1.4
97.06514	4.3
97.10152	8.5
105.07022	21.2
107.04974	4.0
107.08587	18.7
109.06520	3.3
109.10155	20.7
111.04414	1.4
111.08080	10.7
113.05988	2.0
117.07009	4.1
119.08572	19.8
121.06495	2.2
121.10137	16.2
123.08085	2.2
123.11681	8.0
125.09618	1.8
126.44376	1.2
129.07034	7.5
131.08563	12.0
133.06525	2.3
133.10126	13.9
135.08073	2.1
135.11687	5.1
137.06035	1.8
137.09644	1.7
137.13252	3.6
142.07753	2.6
143.00810	1.1
145.10133	4.7
147.08061	2.2
147.11702	11.3
149.09613	4.2
149.13315	2.3
157.10100	8.1
161.13277	3.4
163.11151	1.6
163.14870	2.5
165.12816	2.6
167.10550	1.2
171.11676	2.3
175.11192	9.4
175.14847	2.6
191.10750	1.5
193.12224	37.8
211.13275	42.2
227.12766	2.1
245.22665	1.6
259.69650	1.4
263.23788	4.3
267.15857	7.1
303.26874	2.3
305.24503	1.9
319.26196	1.5
337.27448	4.5
339.82495	1.3
437.34171	2.9
455.35181	4.0
473.36267	2.8
529.38708	18.1
547.39874	100.0
548.40265	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	547.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23980	3.6
53.03939	9.2
55.05507	36.6
57.03439	11.3
57.07067	11.4
65.03917	5.8
66.34496	3.5
67.05499	100.0
67.53196	3.8
69.07063	31.6
71.04980	24.4
73.76011	3.4
79.05479	52.9
81.03417	22.5
81.07051	75.0
81.27639	3.7
83.04987	14.4
83.08591	23.4
84.38456	4.0
85.02894	8.0
91.05473	50.2
93.07035	59.0
95.04949	20.2
95.08595	73.5
97.06514	10.3
97.10168	9.8
98.20632	7.1
99.08127	4.0
105.07034	31.1
107.04937	6.9
107.08588	32.3
109.06540	6.2
109.10148	42.3
111.08071	6.9
117.07005	9.0
119.08564	26.9
121.06483	7.4
121.10132	21.2
123.08061	3.6
123.11700	11.8
125.09570	5.0
129.07054	4.1
131.08589	11.1
133.10127	16.0
135.11682	29.0
137.09599	13.1
145.10095	15.9
147.11674	11.0
149.13264	6.7
151.07486	4.3
157.10132	9.6
159.11658	5.7
163.11180	17.7
169.10184	4.7
181.12213	6.2
193.12184	18.5
211.13295	17.1
227.12759	38.5
267.15921	4.7
303.26749	5.7
337.27420	6.1
503.37497	11.4
529.38879	15.0
547.40259	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	9.9
62.44653	8.3
67.05498	21.6
69.07076	9.2
69.25851	50.6
69.26276	31.2
80.26111	7.6
81.07053	9.9
93.07033	15.3
95.08602	16.6
105.07004	12.1
107.08554	9.6
107.58918	7.0
109.10163	9.4
115.48920	7.2
151.07568	12.8
157.92392	8.4
178.23431	7.7
370.67825	8.3
548.89246	8.0
549.22491	100.0
549.40619	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	549.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03935	0.5
56.59448	0.3
65.03937	0.5
66.04702	0.5
71.52504	0.5
78.04691	0.3
79.05478	1.3
80.06254	0.8
90.04688	0.4
91.05476	4.9
93.07018	0.6
94.04167	0.6
95.04949	0.6
103.05392	0.7
104.06223	0.4
105.07051	1.6
106.04185	0.4
107.04948	6.3
108.05732	2.9
109.06503	0.9
111.99734	0.3
115.05417	0.6
117.06994	1.6
119.04903	0.5
119.06045	0.4
119.08541	1.0
121.06509	3.8
122.03638	0.4
123.04388	0.4
124.05228	0.6
131.04913	0.8
132.05679	1.3
133.06448	1.2
134.07230	0.6
135.04405	2.0
135.08037	1.1
136.05194	5.9
137.05992	0.7
138.06743	3.7
139.07536	1.0
145.06474	0.5
146.07253	4.5
147.04366	0.3
147.08037	2.3
148.08784	1.1
149.05965	1.3
150.06764	3.0
151.07526	100.0
152.07870	1.7
155.07018	0.6
159.08003	0.6
161.05972	0.4
162.06743	0.9
163.07513	0.4
164.08327	4.4
165.05464	9.3
165.09094	12.9
167.07005	0.6
173.09627	0.4
174.10410	0.8
175.07555	0.9
176.08325	0.5
177.09090	11.6
178.09697	0.4
179.10655	44.1
180.10934	0.6
189.09108	0.5
190.09824	0.4
191.06958	0.5
191.10585	0.9
193.08531	0.4
203.07065	0.5
203.10628	0.6
205.08586	13.2
205.12169	3.8
215.10609	0.4
217.12315	0.4
218.09467	0.8
219.10141	5.6
219.13770	1.3
221.11685	1.2
233.11650	2.2
269.91592	0.3
288.63232	0.3
294.12402	0.7
297.05682	0.3
307.13416	0.3
312.13870	0.3
314.11346	0.4
325.14383	2.0
326.14685	0.5
327.15549	0.3
343.15363	12.8
344.16101	0.3
353.17310	0.7
361.16547	0.5
371.18365	0.7
393.20526	0.7
545.08374	0.3
549.20135	0.7
549.28387	13.0
550.28973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83115	3.5
53.03933	9.2
55.01870	6.0
55.05510	27.6
57.03415	7.0
57.07077	19.9
65.03915	3.5
66.85731	2.8
67.05497	30.6
69.03423	30.9
69.07063	47.6
71.04987	6.3
71.52993	3.6
73.02921	6.5
79.05486	24.4
81.03420	38.2
81.07048	93.4
83.04976	10.4
83.08593	10.1
85.02895	28.0
85.06534	12.3
87.04518	3.4
89.03889	3.9
91.05465	34.1
93.07035	50.9
93.60847	2.9
95.04958	15.3
95.08609	64.9
97.02864	17.7
97.06517	13.8
97.10168	20.8
99.04444	9.4
103.05457	7.0
105.07015	33.6
107.04944	8.7
107.08584	52.7
109.02880	33.6
109.06515	4.8
109.10149	36.4
111.04422	7.2
111.08080	14.5
111.11699	6.9
112.59418	3.0
115.03970	5.1
115.05416	3.5
117.07009	8.0
119.04932	6.3
119.08569	21.4
121.02885	3.5
121.06483	7.2
121.10132	31.5
123.04408	10.2
123.08081	4.2
123.11700	49.9
125.05927	2.9
125.09616	7.1
127.03908	26.6
129.07031	3.8
131.04913	12.2
131.08534	9.2
133.02872	7.9
133.06435	7.1
133.10130	14.5
135.04369	4.8
135.08067	8.6
135.11684	16.8
137.05968	55.3
137.09648	7.9
137.13243	13.2
139.07472	3.7
139.11142	13.2
143.08562	5.8
145.02829	5.0
145.04915	7.8
145.06493	7.1
145.10112	14.3
147.04388	20.6
147.11667	16.2
149.05994	7.0
149.13226	24.5
151.03903	12.9
151.07510	8.6
151.11127	7.4
153.12723	7.8
157.10155	6.0
157.12242	8.3
159.02994	3.0
159.11684	8.8
160.05205	3.9
161.06021	8.0
161.09656	5.5
161.13283	9.0
163.03857	9.8
163.07538	5.1
163.11116	8.7
163.14810	4.6
165.05467	8.0
165.09050	3.7
165.12741	6.9
167.07013	31.5
173.09575	4.5
173.13252	5.2
175.03880	4.2
175.07573	8.6
175.11130	6.4
175.14815	5.8
177.05455	13.2
177.16362	3.9
179.07004	4.7
181.04980	7.6
181.08521	4.0
185.13307	3.6
187.07451	5.3
187.13327	5.6
189.09100	3.6
189.12743	4.4
189.16353	5.6
191.07028	9.9
191.17989	4.0
201.16386	4.1
203.12686	4.9
203.17950	4.1
205.08644	3.8
205.15820	4.4
207.06566	5.2
209.15356	12.1
217.08556	4.9
219.10115	4.2
221.07968	3.9
229.10674	7.8
247.11794	11.1
248.12100	7.4
249.18347	4.2
258.05289	3.8
287.05350	5.2
287.23608	6.7
293.24716	4.7
301.03549	5.1
301.07022	100.0
302.07422	4.1
303.23068	3.6
305.24710	23.8
313.16449	9.1
323.25674	10.1
339.12286	3.9
365.13806	4.5
377.14069	3.5
385.67389	3.8
395.25858	4.0
413.26834	5.8
419.28131	5.5
431.27896	10.8
437.28741	5.2
449.28793	16.9
467.29633	11.3
478.16153	13.9
517.18726	15.2
518.18451	3.9
531.19470	4.5
549.21002	25.2
549.32672	5.2
550.21527	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	549.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01875	3.1
55.05264	3.2
55.05508	41.2
57.03434	8.0
57.07061	7.6
57.46268	2.3
65.03914	2.3
67.05499	46.9
69.03423	4.2
69.07064	44.0
69.87107	6.3
69.87529	5.8
71.04978	4.5
73.08595	2.0
79.05486	31.1
81.03409	42.6
81.07056	52.6
82.31141	2.2
83.04978	7.3
83.08612	40.6
85.02898	20.0
85.10172	2.4
91.05473	25.1
93.07038	24.5
95.04957	20.7
95.08599	42.0
97.06506	5.2
97.10152	14.1
99.08105	2.1
105.07018	16.9
107.04968	2.9
107.08573	16.6
109.06523	4.4
109.10143	17.7
111.08074	7.6
111.11710	5.7
113.06030	2.3
119.08555	17.1
121.06508	2.1
121.10144	20.0
123.11687	6.1
125.09583	2.6
129.07011	7.1
131.08595	9.6
133.10124	6.3
135.11681	12.0
137.13228	2.3
142.07817	2.8
145.10106	3.1
147.08015	2.8
147.11642	10.3
149.09633	4.9
149.13275	3.6
151.07549	2.8
157.10144	9.5
175.11195	14.3
193.12222	47.4
193.13866	3.7
201.16176	2.4
211.13266	50.3
221.55222	2.2
247.24208	3.4
265.25171	10.4
267.15961	6.6
339.29065	4.2
340.36261	2.3
398.15430	2.4
457.36508	4.3
531.40283	6.8
549.41504	100.0
550.41516	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	549.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
55.01868	2.4
55.05511	38.7
55.56311	1.0
57.03428	7.0
57.07072	8.3
59.63575	1.1
65.03944	1.6
67.05499	43.9
69.03422	4.1
69.07066	37.0
70.56510	3.6
71.04982	3.9
71.08625	4.2
79.05489	21.8
81.02922	2.0
81.03410	41.6
81.07050	45.1
83.04984	6.8
83.08614	33.8
83.09105	1.8
85.02898	21.8
85.06548	2.2
85.10210	1.3
91.05481	22.7
93.07033	22.1
95.04962	16.6
95.08601	34.0
97.06556	3.0
97.10171	15.2
99.08081	2.6
101.24677	1.4
105.04482	1.4
105.07024	15.9
107.04966	3.6
107.08587	13.5
109.06498	3.8
109.10149	17.6
111.04465	1.3
111.08070	7.3
111.11720	3.5
113.06035	2.5
113.09663	1.5
117.07023	2.2
119.08572	12.8
121.10127	13.6
123.08102	1.2
123.11722	5.0
125.09650	1.9
129.07013	5.3
131.08560	6.9
131.73068	1.1
132.05894	1.2
133.06485	2.6
133.10162	7.3
135.11673	6.0
137.13297	3.0
145.10100	2.0
147.08044	2.7
147.11674	9.0
149.09627	3.2
149.13290	3.6
151.07494	1.3
151.11194	1.4
151.14825	1.5
157.10118	7.9
165.12762	1.5
175.11171	11.8
176.32100	1.0
193.12231	43.4
211.13271	47.8
215.45697	1.2
227.12718	1.0
247.24187	2.0
253.14398	4.0
261.22150	1.2
265.25317	8.8
267.16006	3.7
271.15436	1.5
339.29184	3.1
457.36908	3.5
531.39923	5.0
549.41510	100.0
550.41968	3.7
567.31726	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
54.54462	1.6
55.01859	3.5
55.05505	40.4
57.03426	7.6
57.07068	9.4
67.05493	46.0
69.03396	3.8
69.07061	40.1
69.85780	9.2
71.04991	3.6
71.08627	4.0
75.63469	1.8
79.05066	2.4
79.05490	28.2
81.03408	44.5
81.06588	2.9
81.07048	48.6
83.04970	8.9
83.08607	35.4
85.02898	23.2
85.06514	2.8
85.10164	2.6
91.05478	25.7
93.07033	22.8
95.04952	18.7
95.08595	40.1
97.02869	2.1
97.06548	3.3
97.10140	16.3
99.08091	2.1
105.07023	15.9
107.04954	3.3
107.08573	12.5
109.06516	4.8
109.10138	22.4
111.08072	10.3
111.11738	2.9
113.05984	2.3
117.07020	1.9
119.08566	14.6
121.06499	2.0
121.10147	15.8
123.11694	5.9
129.06987	6.2
131.08548	7.3
133.06506	1.9
133.10068	7.2
135.11659	8.1
147.08009	1.8
147.11652	10.5
149.09633	5.4
149.13190	3.9
151.14735	2.2
157.10083	9.0
163.14784	1.9
165.12747	2.0
175.11136	9.3
181.70020	1.7
189.59947	1.6
193.12222	46.8
210.01408	1.5
211.13277	54.2
233.02754	1.5
244.35370	1.6
247.24341	3.8
265.25119	8.3
267.16037	2.8
285.16806	1.8
326.35452	1.5
328.46902	1.7
330.48596	1.4
339.28812	2.7
457.36768	3.8
460.06094	1.4
531.40228	6.1
549.41431	100.0
550.41614	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	551.1028
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03732	0.2
53.03946	2.2
55.01667	0.2
55.01872	1.9
55.05487	0.2
57.03424	1.1
59.22692	0.2
61.02902	1.3
65.03921	0.5
68.43145	0.2
68.99788	1.3
69.03424	6.7
69.50084	1.5
71.04984	1.1
73.02914	1.7
81.03411	8.4
83.01340	0.2
85.02900	11.7
85.92520	0.2
87.00824	5.5
87.04467	0.3
91.03938	0.7
93.03416	0.2
95.04976	0.6
97.02888	4.4
99.04450	2.8
105.01855	3.4
107.04938	0.3
109.02869	7.0
109.10194	0.2
109.44205	0.2
111.00797	1.0
117.01845	1.2
121.02842	1.0
127.03914	9.4
129.01819	0.8
131.04909	0.3
137.01373	0.3
137.02345	3.3
137.03333	0.4
137.05949	0.3
145.04958	3.4
145.06085	0.4
147.02864	0.7
149.02254	0.2
153.01808	4.1
155.04887	0.3
159.02875	5.1
161.05951	0.5
163.03929	0.7
165.01834	2.2
166.02553	0.3
167.06975	0.3
173.05980	0.7
177.03972	0.3
177.05400	0.2
183.02835	0.7
183.04311	0.3
187.03934	0.3
195.02904	0.2
201.05453	1.7
205.05017	0.2
213.03931	0.3
219.06558	0.3
229.04956	4.2
231.05013	1.2
247.06030	0.8
257.04401	2.7
274.04752	0.8
285.03937	1.3
293.16873	0.2
303.04968	100.0
304.05283	1.6
345.06021	0.4
383.43512	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1393
Annotation	Scutellarein 7-xylosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
52.55595	1.4
55.01857	2.8
57.03434	7.9
58.47000	1.3
59.05006	1.4
62.03921	1.1
67.05492	1.8
68.99806	1.2
69.03421	20.0
70.46672	4.8
71.01353	1.3
71.04971	1.7
73.02907	4.3
75.05522	1.1
79.05481	2.4
81.03413	2.1
81.07062	1.3
83.04958	1.2
83.90703	1.3
85.02892	11.4
87.04455	9.1
91.05491	1.5
94.14925	1.2
95.08558	1.7
97.02877	15.4
99.04454	4.8
105.07004	1.9
107.04961	2.3
107.08546	1.6
109.02890	1.9
115.03936	11.7
116.95161	1.1
121.02834	6.9
127.03929	3.5
133.04948	9.0
136.07568	2.8
137.02400	2.3
137.05975	3.5
145.02756	2.0
147.04408	3.1
151.03883	3.3
151.07486	1.4
152.07072	1.9
153.01834	5.8
161.05939	1.6
163.03859	2.0
164.07019	2.7
165.01820	2.1
165.05463	1.6
167.06955	2.2
167.16730	1.5
169.42746	1.3
171.02972	1.4
177.05498	1.6
181.04959	1.9
183.06645	1.4
193.04973	1.7
213.05478	2.0
229.06985	1.7
280.10562	1.5
287.05478	100.0
299.05484	14.4
303.04965	9.4
311.05392	3.9
313.06995	2.2
325.07065	5.2
329.06491	12.8
329.80746	1.3
337.07150	4.1
341.06415	2.0
353.06528	12.4
365.06528	5.4
383.07611	17.8
401.08771	6.0
419.09644	20.8
550.50775	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2119
Annotation	Scorzonoside
Peak:m/z	Relative Intensity
50.96394	0.9
53.03940	1.7
55.01866	6.5
57.03434	1.0
57.97717	0.8
61.02919	2.0
62.28130	0.7
65.03967	0.9
67.05500	2.8
69.03429	5.7
69.07071	1.0
70.02472	3.9
71.04981	0.9
73.02898	1.6
79.05492	3.9
80.34055	0.8
81.03405	2.9
81.07043	3.5
83.08605	0.9
85.02903	8.8
85.06538	0.9
87.04478	0.9
91.05470	4.4
93.07050	3.6
94.04169	2.0
95.04957	2.7
95.08602	2.2
97.02895	3.2
97.06541	1.4
100.73684	0.8
103.05465	7.1
105.07018	3.0
106.04198	0.9
107.04957	6.9
107.08597	1.6
109.02895	1.5
109.06507	1.0
109.10138	0.9
110.03716	1.0
110.45450	0.7
115.05457	1.2
117.03403	1.5
117.06999	2.2
119.04919	2.1
119.08600	1.1
121.06487	5.6
121.10187	1.0
122.03656	2.6
123.04412	4.2
123.08070	0.8
124.05233	1.2
125.05984	1.4
127.03860	1.1
128.06218	3.5
129.07001	12.5
130.04108	0.9
131.04922	8.6
131.08557	2.5
133.06491	1.2
133.10158	1.2
134.03674	1.4
135.04436	2.0
135.89377	0.7
137.05966	30.7
138.03011	0.9
140.04680	0.9
141.06998	1.1
144.05740	1.1
145.02856	1.2
145.06500	2.4
147.04431	4.1
149.05969	11.6
151.03911	1.8
151.07523	4.1
152.04691	1.0
153.01762	1.4
155.06999	1.0
157.06485	14.6
159.04414	2.2
159.08063	2.2
161.05997	5.7
162.06604	1.0
163.03894	2.5
163.07536	7.1
165.05502	0.8
167.07028	58.0
171.06534	1.5
171.13826	1.4
174.06741	4.6
175.07542	4.4
177.05460	24.0
181.04976	15.3
183.06387	0.9
185.05980	2.2
187.07547	2.3
189.09074	12.0
191.07077	2.2
191.10687	2.1
193.08630	1.3
199.07544	1.0
203.06984	0.9
205.08546	1.5
207.06445	1.1
207.08226	0.8
209.08104	5.8
217.08580	8.1
218.07237	1.2
219.10223	3.3
231.08105	1.2
233.09715	2.0
246.06577	1.0
247.07544	1.4
249.09070	0.9
260.08466	0.8
261.09015	4.1
263.07098	1.8
263.10577	0.8
273.07675	1.1
277.08591	2.3
278.09402	2.5
279.10056	1.0
289.08563	1.8
293.11670	3.2
303.09888	1.2
307.09598	2.2
321.11240	4.8
322.11926	1.1
339.12320	1.8
353.13895	1.7
359.14825	1.3
371.14868	100.0
372.15134	2.5
551.20068	1.8
551.30786	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42301	6.8
58.72472	7.1
60.08840	6.4
67.18606	7.6
69.26040	47.9
69.26451	26.2
76.33646	7.4
98.20706	13.0
98.62105	7.1
145.10139	7.6
171.53180	6.1
230.76785	7.2
253.15001	6.7
269.06964	9.0
324.74380	7.6
465.53534	9.0
551.24146	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23596	0.8
53.03931	2.0
58.14515	1.0
64.73868	0.9
65.03930	1.3
69.70164	6.6
78.04670	1.1
79.05486	5.1
80.06236	1.1
81.03401	1.2
87.34478	0.9
91.05473	12.9
95.04962	2.2
103.05444	4.9
104.06268	1.1
105.07015	10.8
107.04939	12.5
108.05725	3.1
109.06496	2.8
115.05446	4.6
117.06999	4.7
118.04162	1.6
119.04958	5.2
119.08549	1.3
120.30821	0.9
121.06501	11.3
121.46141	0.9
122.03649	1.2
123.04369	1.2
124.05198	1.4
128.06239	2.1
129.06987	3.7
131.04910	5.0
131.08443	1.0
132.05675	1.8
133.06500	8.0
134.07236	4.9
135.04381	6.2
135.08017	5.0
136.05183	8.5
137.05974	10.4
139.07524	2.5
145.06517	4.5
146.07262	12.0
147.04393	3.4
147.07991	2.8
148.05138	1.7
149.05931	2.3
149.09537	1.3
150.06746	19.0
151.07529	97.5
152.07869	5.8
153.08098	1.8
157.06453	2.1
158.07259	1.4
159.08049	2.2
160.08795	1.5
161.05957	7.0
162.06729	7.4
163.07512	7.3
164.08365	2.2
165.05495	5.1
165.09097	100.0
166.07947	1.2
166.09438	1.8
167.07028	1.4
169.06516	1.4
172.08852	1.1
173.09569	1.7
174.06743	3.3
175.07532	10.4
176.08257	2.1
177.05554	1.2
177.09096	20.2
178.06168	1.0
178.09779	2.6
179.10713	10.8
180.11017	2.8
181.06439	2.3
181.08582	1.9
182.07341	1.0
183.08031	1.6
185.05948	1.5
186.10400	1.2
187.07512	1.8
188.08438	1.1
189.09109	15.3
191.10655	2.5
193.08594	2.9
193.12169	1.2
194.09409	4.0
195.08290	0.9
195.10176	3.2
199.07457	1.4
200.08409	0.9
201.09109	1.6
202.06236	2.0
202.09808	1.7
203.10626	2.7
205.08586	2.3
207.10130	1.1
209.09673	1.7
211.07555	2.2
212.08366	1.6
213.09097	1.0
214.70660	1.0
215.10561	1.3
217.08479	1.7
217.12195	4.3
218.09418	1.9
219.08052	2.6
221.09692	1.4
223.07506	1.1
223.11076	1.0
224.08351	1.5
225.09048	2.6
226.09932	1.5
233.09624	1.9
235.07549	2.8
237.08806	1.2
239.06964	1.2
239.10655	1.8
241.12276	1.9
247.07484	1.9
249.09105	2.8
251.07127	1.7
251.10716	2.7
253.08549	2.3
261.09106	1.7
262.09970	2.9
263.06958	1.6
263.10730	2.4
265.08810	1.2
265.12216	3.5
267.10101	4.0
268.10989	1.9
269.08026	1.2
269.11557	1.2
271.09714	2.0
275.10382	1.0
276.11780	1.0
278.09268	2.6
279.10107	3.5
281.11658	1.5
283.09650	1.4
285.11337	5.1
286.12033	2.2
287.12836	6.2
293.11526	5.9
294.12485	3.7
295.09637	1.7
295.13187	1.5
297.11218	3.2
299.12781	1.5
307.13168	1.5
310.12006	6.7
311.12637	4.4
312.13193	1.3
313.14322	3.9
323.12659	1.1
324.13214	1.2
325.14313	16.7
327.12405	1.8
327.15793	7.0
339.15884	1.7
351.15814	2.3
355.15060	1.0
356.16238	4.6
379.18961	3.9
455.97980	1.0
462.20300	8.5
463.21133	5.8
489.22485	1.8
490.23642	1.2
492.58752	1.1
517.25702	2.1
551.27795	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	551.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.2
56.65450	0.9
57.07055	1.0
59.90079	0.7
65.03936	1.8
67.05473	1.3
70.66104	1.0
70.70423	2.4
78.04683	1.3
79.05496	6.3
80.06261	1.1
81.07040	1.1
82.55597	0.8
91.05474	12.3
93.07011	1.8
95.04961	2.9
95.08607	1.2
98.84695	0.8
103.05443	5.6
105.03461	0.9
105.07018	10.0
107.04291	1.2
107.04944	12.0
108.05701	3.7
109.06504	2.7
115.05448	4.5
117.07019	5.0
118.04163	1.7
119.04904	4.3
120.05758	2.0
121.06487	13.2
123.04432	1.1
128.06195	1.7
129.06960	3.9
131.04901	5.1
131.08604	0.9
132.05678	2.5
133.06471	7.0
134.07260	4.2
135.04405	6.9
135.08070	7.2
136.05159	6.5
137.05009	1.0
137.05972	11.1
138.06705	1.5
139.03822	1.0
139.07555	1.9
145.06499	6.1
146.07253	13.1
147.04387	2.1
147.08009	2.2
149.05943	2.8
149.09523	1.2
150.06738	15.8
151.07527	85.5
155.05884	0.9
157.06490	2.2
159.08049	2.0
160.08812	1.2
161.05984	5.7
162.06741	5.6
163.07497	7.8
164.08235	1.2
165.05440	5.1
165.09094	100.0
167.08519	0.9
171.07965	1.3
173.09662	1.2
174.06737	4.3
175.07506	11.2
176.08197	1.3
177.05452	2.5
177.09091	18.2
178.07704	1.0
178.09933	5.7
179.10649	3.7
180.07838	1.3
181.06532	1.5
182.07257	1.4
183.08128	1.6
186.10336	1.5
187.07486	2.3
188.08307	1.4
189.09091	14.6
191.06984	1.5
191.10678	3.4
193.06699	1.2
193.08600	2.9
194.09364	3.5
195.08165	1.7
195.10143	2.4
201.09076	2.0
202.06218	1.2
202.09856	2.0
203.10657	2.7
205.08504	0.9
207.07988	1.5
208.08653	1.1
209.09637	1.8
210.06644	1.3
211.07573	2.3
212.08279	1.0
213.09099	1.6
215.10632	1.1
217.08530	2.1
217.12155	4.8
218.07166	1.1
218.09250	1.5
219.08054	1.8
219.10088	1.0
221.09622	1.1
223.07513	1.4
224.08270	1.5
225.09041	1.7
226.09795	2.3
233.09613	2.0
234.06877	0.9
235.07561	3.3
236.08138	1.3
237.09039	1.0
238.09827	1.0
239.10591	2.4
241.08511	1.5
241.12201	2.0
242.09402	1.1
246.58600	1.0
247.07417	1.0
248.08405	1.7
249.09222	2.8
250.09818	1.3
251.10556	1.9
252.07671	1.7
253.08601	2.9
259.44165	0.9
261.09064	2.3
262.09808	2.8
263.06873	1.4
263.10608	1.0
264.07883	1.1
265.08829	1.1
265.12219	2.8
267.10165	3.3
268.10916	1.1
269.07974	1.1
271.09485	1.9
275.82349	1.0
277.08813	1.3
278.09293	2.3
279.10187	3.0
281.11835	2.1
283.09735	1.0
285.11133	7.6
286.11969	2.4
287.12656	6.9
293.11649	7.0
294.12506	3.3
295.09689	2.6
295.13135	1.3
297.11240	1.8
305.11948	1.2
310.12015	7.9
311.12842	5.0
312.13504	1.3
313.14301	3.6
319.13068	0.9
323.12808	1.5
324.13458	1.9
325.14355	17.3
326.14963	1.0
327.15811	7.2
339.15756	2.3
342.14377	1.0
351.15872	2.6
356.16290	4.6
357.16757	6.4
379.19095	3.9
384.31403	1.0
413.19641	1.5
415.01270	1.0
462.20187	7.7
463.21243	4.9
489.22495	2.0
517.25720	2.3
534.25488	0.9
551.26428	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	551.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.05492	12.8
57.07059	7.9
63.78508	2.0
64.69999	1.8
65.03931	3.2
67.05497	27.4
69.07063	20.2
69.23408	15.7
69.23825	4.9
71.08607	2.1
79.05477	26.1
79.53328	1.7
81.06586	2.9
81.07048	43.0
83.08619	13.0
85.06536	3.1
91.05463	34.8
92.60313	2.3
93.06480	3.8
93.07036	60.5
95.04970	4.8
95.08603	43.7
98.20767	3.1
103.05421	3.0
105.04528	3.1
105.07023	72.7
107.07872	3.5
107.08582	63.6
107.26888	1.9
109.06499	4.5
109.10136	46.4
109.78915	2.0
115.05392	4.1
117.07011	16.7
119.08569	100.0
121.10137	52.7
123.08023	2.9
123.11706	17.1
128.06180	5.9
129.07022	13.2
130.07744	10.2
131.08551	33.4
133.10120	64.4
135.11685	43.6
137.09596	4.1
141.07013	3.3
142.07762	15.3
143.08572	27.7
144.09302	5.9
145.10106	65.9
147.11687	24.3
149.13231	6.7
153.07008	2.3
155.08481	9.6
156.09328	10.5
157.10114	41.8
158.10941	4.4
159.11700	40.5
161.13228	12.8
163.11131	4.3
165.07019	4.7
166.07709	2.2
167.08577	4.9
168.09370	4.0
169.10115	20.0
170.10912	5.1
170.79752	2.1
171.11703	26.9
172.12469	2.8
173.13263	21.2
175.14810	43.7
179.08522	6.6
180.09308	3.0
181.09982	10.4
182.10843	5.6
183.11630	14.7
184.12453	5.1
185.13229	18.3
187.14789	18.2
189.16435	7.1
193.10147	8.0
193.15883	2.7
194.10847	3.8
195.11720	12.0
196.12437	5.1
197.13239	21.8
199.14781	11.7
201.16399	18.7
203.17937	2.9
207.11667	5.6
208.12462	4.4
209.13219	17.5
210.13936	2.9
211.14847	12.5
213.16310	6.5
219.11636	2.7
219.17491	4.8
221.13274	8.1
222.14095	3.0
223.14827	12.3
225.16417	6.9
227.18024	4.4
229.15877	2.8
229.19652	2.2
231.11510	3.0
233.13309	3.8
235.14682	3.9
237.16383	5.3
239.17961	5.7
241.19513	5.2
243.11588	2.0
245.13214	3.0
245.18976	2.5
247.14867	4.1
249.16382	7.7
251.17885	3.5
253.19562	4.9
255.21109	2.4
257.19092	2.6
259.14691	2.5
260.21869	2.1
265.19537	4.2
267.21002	4.8
277.19507	4.6
279.21082	4.4
281.22723	2.1
283.20551	2.9
285.22012	6.1
289.19479	4.6
297.22217	2.4
302.89316	2.4
305.22827	3.2
333.25662	2.9
337.25449	2.3
345.25708	5.7
349.25122	2.7
359.27182	2.6
386.03259	1.9
429.31375	3.4
533.41486	4.8
551.25555	2.7
551.42389	43.8
560.09644	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.4
55.05491	16.7
55.30093	3.7
57.07056	12.1
67.05496	28.4
69.07063	18.6
69.89328	15.9
69.89751	7.4
70.74116	3.1
71.08613	3.5
79.05486	20.8
81.07047	43.0
83.08598	12.3
91.05473	36.7
93.07036	55.5
95.04961	6.6
95.08595	46.6
97.26408	3.2
105.07011	67.6
107.08585	58.1
108.08898	3.3
109.10143	44.2
115.05459	5.8
117.06993	12.7
119.08568	100.0
121.10124	49.3
123.11680	15.4
128.06171	4.6
129.07007	7.0
130.07756	8.6
131.08540	33.3
133.10110	70.1
135.08107	4.1
135.11667	40.4
142.07756	15.2
143.08519	25.5
144.09306	6.4
145.10097	75.9
147.11691	17.6
149.13228	5.9
155.08553	8.0
156.09286	6.9
157.10112	37.1
158.10774	6.9
159.11679	31.9
161.13260	11.3
167.08620	4.4
169.10106	15.7
170.10858	4.8
171.11670	30.5
172.12366	4.6
172.13893	4.2
173.13217	23.1
175.14801	37.6
179.08553	3.7
180.09241	4.6
181.10086	12.8
182.10898	6.9
183.11726	17.6
184.12454	4.1
185.13271	14.8
187.14752	16.0
192.92825	3.9
195.11635	11.0
196.12509	5.1
197.13182	18.3
198.93513	3.8
199.14854	7.4
201.16351	11.2
206.10838	5.0
207.11676	7.2
208.12401	5.5
209.13203	12.8
211.14795	14.0
213.16429	5.2
217.15826	4.2
219.11824	4.1
219.17389	4.6
221.13208	9.6
223.14804	10.9
225.16318	5.0
233.13365	4.4
235.14783	7.5
237.16266	8.1
239.17909	5.2
247.14929	7.5
251.17863	4.0
253.19469	6.3
261.16385	7.7
263.17783	3.7
265.19525	6.5
267.21054	4.7
283.20798	4.9
285.21979	4.9
327.07748	7.4
429.31448	5.2
495.26440	6.7
533.41089	5.5
551.42389	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	551.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.9
55.01863	2.3
55.05505	18.0
57.03436	7.6
57.07068	43.9
59.04979	1.0
63.95639	0.9
67.05496	31.7
69.03422	2.4
69.07059	11.4
69.80202	6.0
71.04997	4.7
71.08619	30.5
79.05482	15.0
81.02922	2.2
81.03408	45.3
81.07047	34.8
83.04974	7.5
83.08610	25.4
85.02898	25.4
85.06567	1.9
85.10172	17.2
87.04449	1.1
91.05468	20.8
93.07030	12.5
95.04964	16.6
95.08598	35.4
97.02903	2.0
97.06509	2.3
97.10154	11.6
105.07018	16.5
107.04948	3.4
107.08603	4.9
109.06513	3.3
109.10146	15.5
111.04433	2.1
111.08060	7.1
111.11716	3.9
113.05983	2.1
117.07058	1.3
119.04912	1.3
119.08567	14.4
119.68563	1.0
121.06513	1.1
121.10168	6.2
123.08008	1.5
123.11706	6.8
125.09610	1.3
125.13165	1.0
129.06960	6.3
131.08557	7.8
133.06479	2.7
133.10133	5.2
137.13181	2.1
142.07806	2.3
147.08034	2.3
147.11671	10.3
149.09599	4.6
157.10109	8.5
165.12776	2.4
166.26312	1.0
175.11188	9.9
185.68806	1.1
193.09564	1.6
193.12224	46.5
211.13269	50.0
219.93198	1.2
267.15939	4.7
267.26859	4.0
285.16937	1.4
341.30637	4.9
533.42279	2.2
551.43018	100.0
552.43439	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
57.03421	5.8
59.73627	1.8
69.03415	4.0
69.86820	10.4
72.48920	1.8
73.02921	8.6
78.88882	1.5
79.05464	5.7
81.95190	1.5
91.05466	3.6
95.04958	9.4
106.29444	1.9
107.04941	18.7
111.30260	1.6
115.05438	2.4
116.06172	1.7
117.06962	3.6
121.06525	1.7
123.04404	7.3
124.05167	2.9
129.07021	2.0
131.08575	4.6
137.05949	5.9
140.04628	2.9
141.07063	2.0
144.05685	3.0
145.06483	8.8
153.05374	1.7
155.06982	5.3
156.05673	2.4
157.06453	3.4
159.08028	5.8
167.07019	44.2
169.06447	2.0
173.06018	5.1
175.07590	2.0
181.04948	2.3
182.09416	2.8
183.06564	9.9
184.07265	2.5
187.07510	7.5
190.06242	3.4
194.09372	2.1
202.06180	2.8
203.08633	2.3
205.08551	9.9
210.08878	5.1
217.08496	18.7
218.07219	2.7
218.09203	3.2
219.08040	7.4
219.10155	9.6
221.09641	3.8
231.08031	4.8
233.09705	4.1
235.07518	3.3
235.09712	2.5
238.12105	2.1
245.09628	1.9
246.06755	2.6
247.07428	8.6
248.08173	6.0
248.10501	4.1
249.09018	6.8
249.11339	3.0
251.07025	2.6
259.07593	2.1
261.09082	6.7
263.06998	4.9
263.10574	4.3
264.07831	7.0
267.10394	2.0
275.07083	2.2
276.07626	3.2
277.08563	6.8
278.09277	3.9
279.10181	10.0
286.67587	2.1
290.00427	1.8
291.10132	5.1
293.08237	4.0
293.11642	3.3
295.09546	2.9
306.08643	2.3
307.09525	11.3
308.10315	4.5
309.11002	2.6
311.12622	3.3
315.08679	2.4
321.11215	4.3
323.09317	2.9
323.12814	4.2
329.10107	2.1
338.11209	3.8
339.12149	5.6
344.12500	2.6
351.12143	3.3
356.12454	2.1
369.13223	21.2
370.13849	2.5
371.14816	34.4
383.14764	5.3
387.14368	4.9
389.15961	15.4
401.15909	100.0
402.16531	12.3
419.16989	16.0
420.17642	8.4
431.17184	4.0
499.29102	1.9
509.89679	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27549	5.4
53.03944	9.7
55.05506	52.3
57.03427	6.5
57.07084	7.5
67.05495	41.2
69.03436	35.5
69.07069	66.8
70.40631	10.4
70.41057	19.1
71.04994	19.8
73.02927	9.8
79.05499	33.3
79.54133	5.0
81.03403	21.9
81.07054	100.0
83.04981	16.8
83.08617	13.5
85.02885	33.3
85.06561	13.6
91.05483	46.2
93.07039	80.6
94.07317	5.8
95.04958	18.9
95.08598	63.8
97.02903	17.3
97.06537	30.2
97.10170	94.6
100.04693	5.9
104.10702	6.8
105.07034	46.4
107.04957	11.8
107.08588	64.2
109.02894	11.6
109.06509	16.8
109.10149	54.2
111.04435	6.1
111.08089	9.2
111.11707	15.2
113.06139	5.8
115.05501	7.6
117.03358	7.4
119.04926	14.1
119.08590	44.0
121.06497	26.5
121.10138	91.1
123.04383	10.0
123.08080	11.5
123.11711	28.6
125.05986	22.6
125.09632	24.8
127.03918	17.1
129.07117	7.4
131.04918	14.8
131.08586	18.2
133.10133	35.2
135.04488	8.1
135.08011	8.0
135.11734	45.0
137.05960	42.5
137.09598	14.4
138.06300	9.0
139.11130	31.4
141.05453	22.7
143.07028	14.1
143.08597	5.5
143.10658	19.3
145.02901	7.0
145.06433	9.4
145.10115	39.7
147.04399	51.5
147.08051	12.4
147.11664	14.8
149.06003	13.6
149.09622	11.9
149.13246	22.2
151.03911	15.3
151.07588	18.7
151.11169	7.5
153.12741	10.1
157.10100	7.9
157.12282	12.7
159.11705	23.7
161.05931	8.1
161.09615	7.1
161.13260	11.0
163.07532	10.4
163.11218	22.8
163.14796	7.9
164.08261	7.7
165.05464	10.6
165.09143	9.8
167.07004	42.8
167.10684	10.3
168.07378	9.0
171.11510	10.0
173.09576	14.3
175.03905	7.5
175.11220	8.9
177.05516	16.5
177.12711	8.5
181.04964	7.8
181.12221	16.8
183.06532	9.2
184.07173	7.8
187.11244	11.7
187.13286	6.4
191.10715	9.5
193.08542	6.1
197.44460	6.9
205.12146	11.4
205.19495	7.8
207.06522	12.4
215.10732	8.4
223.16844	12.0
273.22177	12.2
275.20123	21.7
283.20520	7.7
289.21600	7.1
291.23123	20.7
293.21164	76.0
301.21643	50.8
307.22635	13.3
319.22623	71.5
325.23822	27.7
337.23688	70.5
355.24680	8.5
367.15054	6.5
418.91504	6.0
445.97214	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	553.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.8
55.05500	3.1
65.03925	2.4
67.05489	8.8
71.52927	2.9
79.05479	6.6
81.07035	3.8
91.05467	19.6
95.04960	4.1
95.08606	4.1
103.05474	3.5
105.07008	10.3
107.04941	12.1
107.08556	2.4
108.02126	3.4
111.04404	3.1
115.05439	11.3
117.06977	12.9
119.04916	5.7
119.08575	4.2
120.05711	3.3
121.06470	5.2
125.05950	10.0
128.06189	2.2
128.59386	2.0
129.06998	4.4
131.04976	3.5
131.08531	4.7
133.06462	4.5
134.07291	2.2
135.04434	6.3
135.08067	5.5
136.05176	5.4
137.05983	8.5
138.06763	3.2
139.07506	5.8
143.04901	6.2
145.06445	7.0
147.04396	45.7
147.08020	4.0
148.05223	2.5
149.05968	7.5
150.06728	21.8
151.03897	96.3
151.04997	8.3
151.07523	84.5
153.05473	2.4
159.08009	3.4
160.05161	3.8
160.08710	2.3
161.05984	9.4
162.06767	4.4
163.07503	17.4
164.08342	3.8
165.05431	3.3
165.09099	72.0
167.07014	5.1
173.05966	4.5
174.06746	4.0
175.07603	14.6
176.08302	4.4
177.05486	4.5
177.09099	41.7
179.07014	8.4
179.10684	8.6
181.06465	3.7
183.07983	2.6
189.09102	8.5
191.07173	2.4
191.10600	4.3
192.07816	3.5
193.08582	5.5
194.09311	3.0
195.10048	3.5
197.05818	2.7
202.09753	2.2
205.06871	2.5
205.08549	14.6
206.09470	2.5
207.10170	5.4
219.10118	3.0
223.07503	2.7
224.29158	2.0
249.09079	2.8
253.08531	3.2
253.12346	2.4
265.08539	2.9
267.10104	2.9
273.11255	6.0
281.11673	5.4
283.09647	4.1
286.11926	2.5
298.12054	10.0
313.14246	21.3
329.13760	4.5
401.19531	100.0
423.58524	2.4
553.24060	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
64.16953	3.4
67.05489	6.9
71.52230	4.7
79.05501	7.1
85.02802	2.9
85.42174	3.4
91.05451	10.3
95.04977	3.2
103.05460	5.8
105.07014	12.7
106.01283	3.0
107.04952	7.2
115.05433	9.3
117.06975	10.3
119.04911	4.4
121.06477	6.2
125.05929	5.4
128.53879	3.4
129.06950	3.5
133.06497	5.3
133.37563	3.4
135.08078	5.4
137.05966	8.4
139.07506	6.7
141.05434	6.2
143.04906	3.4
145.06482	5.3
147.04405	23.6
149.05971	4.2
150.06715	11.7
151.03906	100.0
151.05003	7.0
151.07510	47.8
160.05110	4.1
161.05984	4.7
163.07501	12.2
165.05478	11.7
165.09082	78.1
167.07043	11.1
175.07545	11.0
177.09052	22.8
179.06879	4.1
189.09079	10.1
191.10768	4.0
193.08589	4.3
203.10541	5.3
205.08572	13.1
217.12317	6.7
221.09520	4.3
273.11157	12.4
283.09543	3.7
285.11209	6.0
286.11957	4.3
298.11963	6.8
302.83948	3.6
309.11325	4.9
310.91327	3.9
313.14227	26.7
367.19302	5.4
401.19635	22.2
410.18570	4.1
464.17596	4.5
465.19159	5.7
553.23511	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	554.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
54.07996	1.5
55.05507	16.1
57.03431	2.0
59.31902	1.4
65.03955	2.9
69.03430	9.4
69.24182	16.4
73.02916	4.7
73.06550	5.2
79.05491	3.3
81.03420	8.3
81.07046	1.9
83.39683	1.5
85.02892	15.2
87.04476	2.0
87.97854	1.5
89.03926	3.8
90.45470	1.7
91.05470	6.9
91.07594	4.7
93.07015	1.9
95.04949	2.1
95.08588	1.9
97.02905	7.0
97.06544	2.0
99.04450	3.1
101.06006	1.9
101.79880	1.6
105.07021	1.7
107.08593	2.8
109.02895	6.6
110.51820	1.6
117.03382	13.7
119.04931	3.5
121.02892	5.7
121.06510	2.5
127.03922	12.9
135.04417	3.9
137.05981	30.8
138.06310	6.1
145.02831	34.4
145.04973	7.2
145.10059	1.8
147.04405	4.4
149.02335	100.0
149.05934	4.7
149.09665	2.0
150.02585	2.2
151.03925	5.7
151.07552	1.9
161.05977	2.1
162.85529	1.6
163.03888	2.3
167.07004	3.0
168.07477	2.1
175.07553	4.5
177.05461	87.8
181.08583	5.1
191.03387	3.9
191.06982	2.2
195.06468	2.6
199.09691	3.1
203.07030	6.6
207.06573	1.8
221.08035	12.8
263.09201	4.2
293.06613	7.2
339.11511	1.8
347.11374	3.9
365.12415	10.9
383.13382	3.1
521.56958	1.7
554.20898	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	554.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10480	1.3
57.03414	5.5
61.02913	2.1
65.84380	1.5
67.05499	3.0
69.03413	4.7
69.07025	2.1
71.04987	2.0
71.52552	3.3
73.02906	9.9
74.27755	1.3
78.04705	2.8
79.05482	9.4
79.58650	1.6
81.03404	2.9
81.07046	5.9
83.08615	2.1
85.02898	13.6
91.05470	6.0
93.07042	7.4
95.04955	4.8
95.08562	8.2
97.02879	4.8
97.06516	1.9
99.04404	1.7
105.07018	5.4
106.04132	1.8
107.04955	19.7
107.08571	8.0
108.05733	4.8
109.02851	2.0
109.06509	2.2
109.10109	1.6
111.04422	1.8
115.04027	1.6
115.05414	4.2
116.06256	1.7
117.07004	5.0
119.04938	2.8
119.08557	2.1
119.66541	1.4
121.06498	4.6
121.10133	15.5
123.04413	8.3
123.08089	1.4
123.11734	2.6
124.05236	2.3
125.05987	11.7
127.03894	3.8
128.06233	2.7
129.06960	7.5
131.04912	3.4
131.08566	9.2
133.02780	2.0
133.06473	5.7
135.04391	5.1
135.11658	5.6
136.05162	5.6
137.05959	17.3
137.13271	2.8
139.11159	1.9
141.06969	2.9
143.08585	2.3
144.05692	5.8
145.02815	3.5
145.04955	3.9
145.06459	5.9
146.07242	1.7
147.04390	3.9
148.05205	1.6
149.05988	2.8
151.03816	1.7
151.07455	1.5
152.04684	2.5
153.05443	23.7
157.06509	2.6
159.08037	16.3
161.05946	7.6
161.09714	2.7
163.03874	3.0
163.07516	3.5
167.07027	96.3
168.07802	100.0
170.07188	1.7
171.07996	3.1
173.05980	5.1
174.06702	1.4
175.07516	3.8
175.11465	1.5
177.05411	11.4
177.16356	16.2
178.06340	1.6
179.06963	1.9
180.07748	2.6
181.05008	1.5
181.08588	6.3
182.09377	1.5
187.07526	18.8
189.09085	4.8
190.06178	1.9
191.06946	1.8
193.08569	5.8
195.17413	4.1
199.07436	2.0
203.06979	1.9
204.07733	3.5
205.08589	3.7
206.09392	3.3
207.06563	1.7
209.29187	1.4
217.08557	2.0
219.10143	11.3
220.10959	1.8
223.09610	4.8
224.10423	12.1
226.70573	1.6
231.10193	2.4
233.11617	3.4
235.13217	1.8
237.11214	4.2
249.11192	60.6
251.12732	3.0
253.14326	2.5
329.45300	1.9
404.18286	4.9
422.19376	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	554.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.01870	0.3
57.03408	0.3
59.38652	0.2
61.02929	0.3
66.17452	0.2
69.03432	1.2
69.42292	1.6
79.05482	0.5
81.03401	0.9
81.07056	0.6
83.36880	0.2
85.02898	2.3
91.05469	0.7
93.07057	0.4
94.04173	0.7
95.04965	0.5
95.08584	0.4
97.02868	1.1
103.05446	0.9
105.07018	0.4
107.04948	0.4
109.02876	0.3
109.06570	0.3
119.04914	0.5
122.03636	3.3
127.03911	0.6
131.04915	2.7
133.06487	0.5
133.10098	0.2
137.05960	100.0
138.06291	1.6
138.28883	0.2
145.04959	0.4
147.04366	0.3
151.07539	0.9
154.06262	0.4
162.84354	0.2
163.07530	4.1
175.07538	0.6
177.09117	0.4
180.91400	0.2
181.08572	11.7
182.08904	0.2
183.08286	0.3
187.07565	0.3
191.07054	0.3
193.08531	0.2
195.10132	0.5
203.10658	0.3
207.06413	0.2
209.08052	0.7
229.08678	0.3
235.13255	1.8
247.09686	0.4
265.10773	0.3
289.10690	0.4
316.06744	0.2
340.29337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	3.5
57.07073	10.0
59.04992	18.9
62.76659	1.7
67.05501	3.7
69.07028	3.1
70.84278	4.8
71.08611	7.8
71.94054	1.6
75.34527	1.5
79.05490	2.7
81.03391	2.0
81.07040	6.5
83.08609	2.0
85.10165	2.2
91.05485	2.9
93.06958	2.0
95.04974	2.4
95.08592	5.8
98.98454	21.4
101.78059	2.1
105.06994	11.0
109.10155	3.0
115.11223	5.8
121.06497	18.3
135.08040	34.0
137.05963	6.1
138.06714	9.4
146.07263	5.1
153.09087	4.1
155.01027	23.1
156.01384	3.4
162.06760	4.0
163.07533	36.8
173.15359	4.1
177.09131	4.6
180.07738	2.7
195.10152	100.0
248.66049	2.0
261.11292	1.7
271.17038	2.2
283.26349	1.7
313.27380	5.9
314.27719	12.8
398.13577	2.2
412.14615	2.7
426.16376	8.1
427.16876	4.8
439.13644	5.3
440.13968	8.7
441.19028	4.4
442.19598	19.3
443.19312	3.4
453.15573	4.1
454.15677	16.7
455.16403	6.4
468.17117	2.4
469.17953	8.7
482.19174	2.2
528.22815	1.9
556.22650	64.6
556.53241	3.0
557.22736	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	556.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17282	4.9
55.05487	5.2
57.07060	20.8
59.36395	5.2
67.05490	10.4
69.07044	15.2
71.08617	26.1
71.52773	7.1
71.53162	4.9
79.05465	15.9
81.06590	7.6
81.07045	100.0
83.08640	4.8
85.10165	14.8
89.06026	38.3
91.05459	10.6
93.07041	9.2
94.31316	4.5
95.08591	15.1
105.07001	7.4
108.13496	4.6
109.10145	27.4
113.54600	6.0
119.95010	4.3
121.06425	10.6
121.10088	5.5
124.88468	5.0
133.08577	24.8
133.10139	6.3
135.07991	8.1
146.07224	7.4
149.05942	14.0
155.08519	6.1
163.07542	10.2
169.19382	5.1
172.08777	8.9
175.07610	6.0
177.05434	14.2
177.09073	8.7
177.11140	9.2
187.07521	7.1
189.09073	12.9
191.07050	9.7
201.09232	6.2
205.08514	7.2
211.47383	5.1
215.10625	28.2
217.08495	6.6
221.21385	5.3
229.12202	9.1
233.08121	29.2
243.10127	43.0
257.11661	9.7
271.16943	52.0
299.16382	50.6
371.22940	6.8
411.17990	39.3
556.52448	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	557.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13085	1.7
58.99847	4.0
69.03412	4.1
69.53437	12.0
77.00886	2.1
82.99857	4.1
85.02883	3.3
95.25878	1.9
98.21474	4.1
101.00870	29.2
109.02885	3.0
113.00859	3.1
117.03989	4.7
119.01912	82.4
127.02387	9.9
127.03907	2.4
131.01889	38.0
133.03427	3.2
135.05025	4.3
137.02953	10.5
139.02400	3.2
141.03926	3.8
143.01889	38.7
144.26964	2.0
145.03455	62.0
147.01367	3.9
147.05051	1.8
149.02971	5.4
153.04013	2.8
155.01860	26.3
157.03468	16.6
159.05069	20.5
161.02951	60.6
161.04285	3.1
163.04544	18.4
167.01889	15.1
169.03456	44.1
171.01364	5.4
171.05045	15.6
173.02954	54.7
175.04489	4.0
177.02458	2.4
179.01892	4.3
179.03995	2.5
181.03455	7.9
183.05064	3.3
185.02939	94.4
186.03232	3.3
187.04504	91.4
188.04611	2.8
189.00928	2.4
189.02443	15.5
189.06076	3.5
191.04021	1.9
197.02953	27.6
199.04507	16.0
201.02408	7.3
203.04001	52.0
203.05838	2.0
207.03481	4.7
209.02908	3.7
211.04443	12.6
213.02428	21.4
213.06020	2.5
215.00511	2.8
215.03958	22.5
219.03473	7.2
221.05057	8.0
223.04521	5.4
225.02466	6.1
227.03958	14.9
229.05618	6.1
231.03471	30.9
233.01367	2.5
233.05017	2.4
237.02641	2.6
239.03961	3.9
243.03525	4.7
245.05060	100.0
246.05295	2.9
255.03596	2.3
257.01425	9.3
257.05014	7.3
263.06073	15.8
271.06595	14.8
273.04645	3.4
275.02475	60.5
275.06058	18.8
287.02463	25.0
287.06055	5.4
293.03516	18.9
293.07095	8.3
305.03555	22.6
305.07178	11.4
315.05606	7.0
315.76202	2.1
333.06558	5.4
335.04550	29.4
335.08286	7.1
341.03571	7.8
359.04578	34.2
360.04694	2.6
365.09357	9.2
377.05643	61.3
395.06699	80.0
539.10577	9.6
557.11963	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26585	1.0
53.03933	3.6
55.01859	2.7
55.05508	20.2
57.03424	5.6
57.07071	3.1
59.59994	1.3
64.98863	1.2
65.03941	2.0
67.05499	39.5
69.07063	14.9
69.28855	2.5
69.29261	9.7
71.04971	2.2
72.76283	1.2
79.05055	2.3
79.05487	30.9
81.03400	2.5
81.07048	38.9
83.04983	3.3
83.08616	7.7
85.06524	2.1
91.05473	34.2
93.07034	34.9
95.04957	7.1
95.08603	23.8
97.06542	2.9
97.10188	2.8
98.98482	1.6
99.08054	1.6
103.05419	1.7
105.04520	1.1
105.07021	31.1
107.04947	3.8
107.08591	18.1
109.06496	1.3
109.10159	11.1
111.08038	1.4
115.05439	2.2
116.02856	1.2
117.07001	15.0
119.08576	20.6
121.06471	2.5
121.10113	9.1
123.08096	2.8
123.11687	2.4
125.09657	1.6
128.06229	5.1
129.07002	20.0
131.08562	27.2
133.10118	17.0
135.08069	1.7
135.11636	5.7
141.06947	6.4
142.07765	3.6
143.08556	21.3
145.06465	2.9
145.10112	24.9
147.08041	3.5
147.11658	14.6
149.09657	2.3
149.13206	2.9
151.07484	1.3
153.07010	2.7
155.08542	20.1
156.09311	2.6
157.10107	20.1
159.08080	2.2
159.11690	16.6
161.09578	2.4
161.13213	9.3
163.11154	2.2
167.08493	8.1
168.09233	1.3
168.73312	1.1
169.10114	22.3
171.08040	1.2
171.11656	21.7
173.09579	1.9
173.13235	10.9
175.14832	4.3
179.08562	3.0
181.10101	10.4
182.10864	3.3
183.11659	20.4
185.13220	16.0
187.11183	2.3
187.14799	5.0
189.12823	2.3
189.16415	1.5
193.10110	2.9
194.10686	1.4
195.11673	10.1
197.13261	14.7
199.14812	7.5
201.16342	2.4
205.10193	1.7
205.12126	1.4
207.11705	3.8
207.13811	3.2
209.13269	9.9
211.14825	8.3
213.16385	10.6
221.13336	3.6
223.14851	6.7
225.16377	2.5
227.18013	2.4
233.13310	2.8
235.14796	3.2
237.16347	3.4
239.17920	2.3
241.19621	4.8
247.14665	1.5
247.17055	2.9
249.16347	2.3
251.17963	2.9
257.18851	1.5
259.20538	11.8
261.22098	1.8
263.18106	1.7
265.19574	1.6
269.19150	1.5
275.20331	1.5
279.15894	3.3
279.21008	1.4
281.17358	9.0
283.20328	1.6
287.20010	2.3
293.18652	1.6
297.22305	1.7
307.20410	1.5
309.21945	1.7
311.20026	2.1
311.23682	1.4
315.23157	1.7
321.21930	2.9
323.23709	3.0
327.23364	1.5
329.21246	1.5
333.24207	4.5
335.19446	1.3
335.23636	2.2
339.23193	2.7
341.24567	1.4
349.25299	2.0
353.24835	3.1
367.26157	2.5
419.33179	3.6
429.31442	4.9
435.32242	2.2
437.34256	12.0
447.32599	21.4
465.33542	26.2
483.34644	16.1
501.35492	2.1
503.35190	2.3
511.37537	2.5
521.36298	10.0
527.37512	1.9
529.38824	7.6
539.37299	100.0
540.37469	4.1
557.38293	49.1
558.38586	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	557.383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96852	1.1
52.47425	1.2
53.03938	2.2
55.01858	3.6
55.05504	23.2
57.03421	6.2
57.07056	3.8
65.03932	2.4
67.05496	43.7
69.03419	2.3
69.07059	15.5
69.29119	7.6
69.29527	3.0
71.05002	1.7
79.05480	39.8
81.03406	3.0
81.07047	41.4
82.45650	1.4
83.04955	6.2
83.08595	9.8
85.06553	3.4
91.05466	36.9
91.06017	2.2
93.07029	35.2
95.04935	7.3
95.08588	32.5
95.09171	2.1
97.06535	4.5
97.10177	5.8
98.21539	2.3
99.08115	1.7
105.07016	37.2
105.07684	2.1
107.04899	5.7
107.08585	18.7
109.06507	3.3
109.10130	10.0
111.08091	2.7
115.05467	2.6
117.07011	17.4
119.08565	29.3
121.06489	2.8
121.10134	10.8
123.08074	4.0
123.11714	3.2
125.09614	1.8
128.06161	5.8
129.06996	18.6
131.08546	33.6
133.06526	2.0
133.10112	16.6
135.08075	2.0
135.11670	6.5
135.55591	1.2
137.09630	2.0
141.06964	8.1
142.07799	5.1
143.08545	28.3
143.09552	2.0
144.09151	1.2
145.06465	2.8
145.10097	28.1
145.11143	2.3
147.08049	3.4
147.11667	17.9
149.09622	1.9
149.13280	2.7
153.07036	1.7
154.07741	3.4
155.08548	19.5
156.09357	2.8
157.06471	1.5
157.10106	22.3
159.08058	2.7
159.11681	20.8
159.12883	1.8
161.09724	1.5
161.13214	9.7
163.11235	3.0
163.14824	1.3
165.06992	1.7
165.12917	1.3
167.08551	9.1
168.09341	4.1
169.10086	21.6
169.11382	1.7
170.10815	2.0
171.08052	1.9
171.11652	22.6
173.09630	2.3
173.13251	13.2
175.14874	4.4
178.07811	1.5
179.08594	3.0
181.10068	15.0
182.10858	1.9
183.11676	20.1
184.12605	1.4
185.09747	1.4
185.13225	15.3
187.11325	1.7
187.14856	4.4
189.12688	2.6
189.16393	1.7
193.10117	3.6
195.11653	13.9
197.13237	15.4
199.14787	9.6
201.16394	2.9
205.10095	2.1
207.11778	5.4
207.13736	2.5
209.13197	8.8
211.14790	9.7
213.12778	1.9
213.16376	8.4
215.17970	1.3
219.11749	2.3
221.13307	5.0
223.14857	7.6
225.12810	1.5
225.16388	6.0
227.12773	1.6
233.13297	1.8
235.14861	3.4
237.16440	4.2
239.14487	1.3
239.17952	2.7
241.19598	4.9
247.14716	1.4
247.17029	2.3
249.16365	2.8
251.18028	2.6
257.19046	3.8
259.20480	10.5
261.22256	1.7
263.17999	1.9
267.17468	1.4
269.22604	1.4
279.16034	3.4
281.17383	8.1
283.20602	1.4
293.18964	1.7
295.20966	2.6
297.22247	3.0
299.20270	2.4
299.23572	1.9
309.22162	1.9
311.20407	1.6
313.21475	2.3
321.22110	2.1
323.23758	2.1
327.23062	1.4
333.24203	3.3
335.23917	2.6
339.23331	3.3
341.24863	1.5
349.25281	2.8
353.24725	1.8
365.24762	1.7
367.26407	2.3
419.33276	3.7
429.31674	4.9
437.34195	10.8
447.32568	25.2
465.33636	30.4
483.34656	16.7
485.34009	1.9
501.35776	3.7
503.35501	1.4
511.37933	2.7
521.36011	9.5
527.37177	3.2
529.38733	6.5
539.37256	100.0
540.37738	3.0
557.38416	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	557.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09651	6.8
50.95027	5.8
55.05506	36.0
55.61309	6.4
57.07067	8.2
64.05753	6.4
67.05504	92.1
69.03435	7.7
69.07059	30.6
70.87852	15.3
70.88226	14.1
71.61713	5.7
79.05486	72.5
81.03399	16.2
81.07045	79.7
83.04965	11.8
83.08614	21.2
85.22065	6.7
91.05470	64.4
93.07038	76.2
95.04958	24.2
95.08601	51.1
97.10181	10.3
105.07018	50.0
107.04926	11.7
107.08570	32.6
109.10149	26.4
110.40492	6.7
117.07026	37.9
119.08591	37.6
119.73456	7.5
121.10124	35.8
125.09627	9.6
129.07001	18.4
131.08519	37.8
133.10112	27.7
135.11667	19.2
142.07773	9.0
143.08553	17.6
145.10118	15.7
147.11670	20.2
149.09630	9.9
157.10118	16.3
159.11697	15.9
169.10085	9.7
171.11652	7.8
183.11723	9.7
185.13185	8.4
189.11273	9.3
195.11789	7.9
201.16382	7.8
207.13808	6.5
223.13254	32.6
236.40291	6.8
265.75491	6.7
424.69617	7.2
465.33505	15.1
466.10721	7.4
483.34763	13.5
539.37238	27.1
557.24475	16.6
557.38239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06412	2.6
69.03409	7.7
70.58882	9.7
79.05499	3.6
85.02887	9.7
91.05468	17.8
94.04181	3.1
95.04941	3.7
97.70350	2.4
100.96696	2.4
103.05449	17.5
105.07011	11.8
107.04941	27.3
115.05433	4.7
119.04934	14.4
121.06481	6.6
122.03635	2.7
127.03943	6.2
129.06944	5.3
131.04942	18.5
133.02870	3.8
133.06464	15.0
135.08003	6.9
137.05968	100.0
145.04904	3.5
147.04349	12.5
149.05916	11.6
150.06673	4.2
151.03806	2.9
151.07529	47.4
157.06470	5.0
161.05965	72.7
161.09593	18.2
162.06699	4.7
163.07516	66.0
174.06839	2.9
175.07555	13.2
177.09068	8.9
179.06981	12.2
181.08646	16.1
189.05342	2.4
189.09090	52.5
191.07030	6.1
195.08098	5.7
195.10065	3.5
207.10155	84.8
219.10114	7.2
221.09659	3.2
221.11717	2.9
223.07396	4.2
223.48494	2.7
227.10617	9.6
253.08418	3.7
253.12196	3.1
255.10240	4.5
265.08734	3.3
281.11581	3.0
285.11221	7.9
287.12708	21.2
291.12277	4.7
297.11331	3.3
299.12845	6.0
311.12857	13.4
313.14374	22.2
325.14362	4.2
331.15323	50.0
343.15213	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	558.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	14.4
55.01859	13.0
55.05500	18.5
55.83070	4.6
57.03417	13.3
57.07066	5.4
59.04990	21.2
65.03925	7.8
66.65600	5.3
67.05498	83.2
68.99774	6.0
69.03425	40.9
69.07060	25.3
69.71540	25.9
71.04977	11.8
73.02917	4.7
73.25014	4.7
79.05015	4.9
79.05482	100.0
81.03414	35.6
81.07045	96.1
81.31695	4.5
82.69891	4.6
83.04959	14.8
83.08572	6.7
85.02897	81.2
85.06541	5.5
87.00823	29.1
91.05468	77.8
93.07033	84.9
95.04977	36.0
95.08591	80.2
97.02878	36.1
97.06522	34.7
97.10134	5.3
98.20788	8.7
99.04488	7.2
102.09226	4.7
105.01873	23.5
105.07025	70.9
107.04932	21.5
107.08588	49.0
109.02876	33.4
109.06522	9.2
109.10142	28.0
111.04463	24.4
113.06013	7.8
117.07017	20.0
119.07758	9.1
119.08562	64.0
121.06495	16.7
121.10131	39.6
123.08062	10.8
123.11699	16.3
125.05992	64.9
127.03913	43.2
129.05576	4.9
129.06976	12.1
131.08543	42.0
133.06483	11.5
133.10110	57.7
135.08017	13.1
135.11687	42.4
137.09653	8.1
137.13243	13.9
139.07552	7.3
139.11148	7.1
141.06993	9.9
143.07031	94.9
143.08542	12.5
145.04958	9.4
145.10150	33.7
147.08055	7.4
147.11647	21.5
149.09570	7.9
149.13266	9.1
151.07509	14.9
153.09106	5.8
155.08594	7.5
155.74187	5.0
157.08768	4.9
157.10114	8.1
159.02774	6.9
159.11678	18.2
161.09641	5.8
161.13252	30.6
165.09084	10.8
166.23711	5.6
169.08589	34.1
169.10059	11.6
171.11673	8.9
173.09589	10.2
173.13237	18.4
175.11179	5.6
175.14803	53.4
177.16423	15.0
179.10661	8.1
183.10117	15.0
183.11693	9.5
185.13298	6.7
187.11160	9.7
187.14804	10.8
191.10649	8.6
193.12212	12.0
197.13156	7.9
207.13779	7.8
211.14861	9.0
213.03909	5.0
213.16422	7.8
215.14316	5.0
215.17946	37.9
229.15958	7.3
229.19478	7.2
231.04889	8.4
233.15408	9.3
235.13177	5.1
239.17944	19.2
253.15816	6.2
257.18976	21.2
270.72086	4.7
275.20093	67.1
293.21112	12.6
389.44138	5.3
558.32599	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	558.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	16.8
62.92755	6.3
67.05497	23.2
69.07061	32.2
69.30912	14.3
69.31317	51.5
79.05477	20.1
81.07049	22.2
83.08620	8.2
91.05447	28.2
93.07024	15.6
95.08593	14.5
97.06547	5.9
97.85170	7.5
98.65356	7.3
105.07013	20.4
107.08560	13.8
111.11696	7.1
117.07005	6.7
121.06484	43.1
123.11668	17.4
131.08530	9.0
133.10103	9.6
135.08034	24.0
135.11670	6.5
137.05994	10.0
145.10037	6.3
149.05959	100.0
149.09593	6.0
151.07567	22.7
160.74620	6.0
163.07503	44.3
165.09053	7.5
167.07072	10.6
168.61293	5.7
177.05470	84.3
177.09135	17.5
179.10611	11.9
189.09167	14.1
191.07019	26.8
191.10655	27.8
195.06474	18.2
195.10141	63.3
202.94522	6.2
203.10686	11.2
205.08740	5.9
205.12221	33.2
217.08658	13.8
217.12239	22.2
223.13129	6.8
231.10146	13.9
235.09528	7.6
245.11763	9.4
245.15450	8.0
267.10333	6.4
273.18451	72.6
558.38666	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44125	3.6
55.01862	2.9
55.05498	12.9
57.00206	2.6
57.03440	14.9
57.07076	31.3
60.49734	2.6
61.27115	2.7
65.56949	2.7
67.05502	22.7
69.07058	8.7
71.04997	4.3
71.08630	23.4
79.05482	23.7
81.03420	46.6
81.07037	29.5
83.04961	10.5
83.08611	22.9
84.34966	2.7
85.02904	15.7
85.10184	14.7
91.05478	18.0
93.07040	13.8
95.04444	2.6
95.04934	16.0
95.08611	23.3
97.02821	3.6
97.10150	5.0
98.13609	2.6
98.20708	4.6
105.07025	13.7
107.04932	6.3
107.08579	4.7
109.06497	4.6
109.10127	13.4
111.08059	6.5
119.08559	10.0
121.10124	6.0
129.06998	8.7
131.08569	9.0
131.15805	2.6
133.06537	3.0
133.10088	8.1
134.33284	3.0
147.11656	10.0
149.09641	3.8
157.10107	8.1
158.01385	2.5
165.12741	3.8
167.61041	3.0
175.11191	12.0
193.12238	48.2
202.94989	2.9
211.13284	70.9
229.65350	3.3
239.23729	3.3
267.15823	18.3
285.16925	72.9
313.27350	100.0
396.66235	3.2
505.38544	11.9
523.39960	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.6
55.01874	18.9
55.05509	58.6
57.03436	15.1
57.07069	2.5
57.96514	2.3
59.04985	3.3
59.45528	2.5
65.03610	1.9
65.03941	6.7
67.05501	86.6
69.03421	6.8
69.06731	2.8
69.07069	39.8
71.04983	7.6
71.52401	3.0
71.53111	2.3
79.05492	100.0
81.02932	2.8
81.03414	64.6
81.07053	78.6
83.04975	16.0
83.08615	38.9
85.02899	20.2
85.06534	2.7
91.04901	5.0
91.05478	87.3
93.07041	62.6
95.04965	36.8
95.08601	45.5
97.02897	5.6
97.06524	20.9
97.10169	20.8
99.08148	3.0
103.05489	6.1
105.07024	75.1
106.22455	2.4
107.04952	19.8
107.08588	54.4
109.06529	15.5
109.10143	23.0
111.04493	4.7
111.08084	12.8
113.06004	3.8
113.09710	3.4
115.05469	5.7
117.07005	26.1
119.04970	2.4
119.06071	2.1
119.08575	51.6
121.06511	9.0
121.10132	23.4
123.08087	8.2
123.11682	7.1
125.09637	20.2
127.07573	2.3
128.06233	3.8
129.06990	20.3
131.08556	43.8
133.06500	7.4
133.10129	39.2
135.08090	10.5
135.11694	8.0
137.09636	4.3
141.07008	6.2
142.07813	4.4
143.08623	12.4
145.06473	5.8
145.10118	35.8
147.08131	9.1
147.11681	31.4
149.09615	20.1
149.13255	3.0
151.07526	5.2
151.11192	2.6
155.08559	5.7
157.10141	24.6
159.08124	2.8
159.11676	17.4
161.05956	3.5
161.09627	3.7
161.13243	7.5
163.11197	8.8
163.14786	2.7
165.12782	4.5
167.08600	3.0
169.10138	11.5
171.10310	3.4
171.11734	13.1
173.09579	5.2
173.11833	3.5
173.13304	7.3
175.11172	13.3
175.14748	2.5
177.12791	4.0
179.08583	2.7
179.14337	8.8
181.10121	3.0
181.12326	2.8
183.11757	8.5
185.13222	3.7
187.11302	4.7
187.14792	2.4
189.11143	11.7
193.10469	3.0
193.12248	36.8
197.03783	2.3
197.13338	7.5
201.12798	4.0
205.12314	4.8
211.13252	40.0
211.14970	4.2
227.12711	10.9
229.19572	6.7
233.15428	5.5
235.11295	2.7
239.18047	4.5
257.19022	16.3
267.15833	22.3
273.18637	2.8
275.20047	68.7
285.17215	3.9
291.19327	2.6
293.21341	3.4
297.22263	5.4
299.20081	8.1
313.22046	3.5
315.23239	5.8
325.21402	2.8
331.22772	3.7
336.98822	2.6
349.23801	10.1
355.23068	2.8
360.53043	2.4
431.29297	3.4
449.30478	10.7
467.31644	9.9
485.32645	7.1
523.34210	6.3
541.35284	48.4
559.36304	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	13.5
54.11709	3.0
55.01868	24.3
55.05503	55.1
57.03435	19.4
57.07070	3.7
59.04980	4.3
63.69317	3.2
65.03950	4.0
67.05496	95.6
69.03419	8.7
69.07057	51.1
69.29179	26.8
71.04973	9.9
79.05483	77.1
81.03413	62.9
81.06583	5.4
81.07044	94.4
83.04991	20.1
83.08612	26.5
85.02892	20.7
85.06541	5.9
91.05470	98.3
93.07034	66.0
95.01321	5.1
95.04958	34.9
95.08592	54.2
97.06527	30.4
97.10160	20.1
105.07015	91.3
107.04934	27.9
107.08579	41.0
109.06496	14.4
109.10153	25.2
111.04443	4.2
111.08057	9.2
113.05975	2.7
115.05439	9.5
117.06999	38.4
119.07739	2.5
119.08565	59.8
121.06483	12.4
121.10133	20.5
123.04436	3.2
123.08039	8.0
123.11719	9.7
125.09618	12.6
128.06197	5.7
129.06978	31.9
130.07780	3.1
131.08551	53.3
133.06473	6.0
133.10115	45.7
135.08037	12.9
135.11676	9.9
137.09579	6.0
141.07005	6.7
142.07774	6.4
143.08533	18.0
145.06483	5.9
145.10083	36.7
147.08031	5.1
147.11665	29.2
149.09578	24.4
149.13249	6.6
155.08562	13.5
157.10106	21.3
159.08086	5.6
159.11682	20.3
161.09668	5.9
161.13242	7.7
163.11183	17.5
165.12839	5.4
167.08627	4.6
169.10118	13.0
171.11674	13.8
173.09613	5.5
173.11829	5.4
173.13255	10.7
175.11212	11.6
177.12729	6.8
179.14311	14.0
183.11697	11.6
185.09607	3.2
185.13297	10.0
187.11208	6.0
187.14874	4.3
189.11169	6.4
193.12219	30.0
195.11618	5.3
197.13281	9.3
199.11253	3.4
201.12695	3.6
205.12109	3.5
209.13242	3.9
211.13251	24.8
211.14871	2.9
225.12537	2.9
227.12744	8.6
229.19447	7.1
239.18019	6.7
241.14203	3.9
247.20764	3.6
256.08698	3.4
257.18893	20.9
264.08640	3.6
267.15866	29.4
275.20032	88.7
283.20358	3.2
285.17017	4.1
286.26218	2.9
291.19385	3.0
293.21158	7.6
299.19910	3.1
313.21561	7.8
315.23230	6.1
331.22641	3.8
343.22638	3.6
349.23727	16.7
387.25278	4.4
421.31033	5.6
431.29437	6.5
449.30508	10.0
467.31500	13.2
485.32471	7.8
505.32733	3.5
523.34460	8.1
541.35138	56.1
559.36224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14154	2.3
53.03926	11.3
53.81318	2.6
55.01862	3.3
55.05508	31.0
57.03427	14.7
57.07055	2.7
57.42180	2.3
65.03934	3.0
67.05497	99.6
69.07057	20.1
70.65532	3.4
70.65884	8.7
71.04951	4.9
77.12941	2.3
79.05484	100.0
81.03401	9.4
81.06583	5.9
81.07044	90.4
83.04958	12.6
83.08591	9.1
83.22231	2.6
85.06520	4.5
91.04899	3.8
91.05469	77.2
93.07030	97.2
95.04951	26.7
95.08589	59.5
97.06503	8.7
97.10148	5.7
99.25556	2.6
105.07023	55.1
107.04925	10.2
107.08574	35.7
109.06489	7.5
109.10136	22.1
117.07036	14.3
119.08583	32.3
121.06474	6.1
121.10117	23.6
123.08054	7.8
123.11683	8.8
129.06992	19.6
131.08549	15.7
133.10138	23.5
135.11656	15.5
137.09579	3.5
143.08556	10.9
145.10097	21.5
147.11662	45.5
149.13229	9.1
151.42729	2.7
157.10141	5.9
159.11694	9.6
161.09573	5.0
161.13246	14.0
164.03555	2.8
169.10089	4.2
171.11647	38.2
173.13268	7.2
177.12700	4.0
187.14696	3.6
189.12717	11.9
195.11635	2.6
197.13245	3.3
207.13792	35.0
243.21095	3.3
261.22092	11.7
279.15878	9.2
281.17438	58.2
321.36346	3.0
335.25720	61.9
356.10556	2.9
449.34161	4.3
467.35190	7.0
485.36615	4.9
541.38800	78.0
559.39941	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	559.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	10.7
55.01870	4.4
55.05507	35.2
57.03441	16.4
62.99230	3.0
65.25388	3.0
67.05501	100.0
69.07063	23.4
69.39330	28.2
77.67669	3.0
79.05488	87.7
81.03407	10.7
81.06588	5.7
81.07053	94.4
83.04962	18.2
83.08596	15.1
85.06551	4.0
91.04893	4.5
91.05476	77.1
93.07035	98.3
95.04964	23.4
95.08604	65.0
97.06520	7.8
97.10137	4.7
105.04577	3.6
105.07026	68.3
107.04935	10.8
107.08577	40.9
109.06467	6.6
109.10159	23.3
111.08114	4.9
112.75449	3.0
117.07022	17.9
119.08551	32.7
121.10130	26.6
123.08034	5.2
123.11692	5.4
127.07599	3.0
129.07016	16.7
131.08534	21.4
133.10124	20.4
135.11668	18.6
137.13206	2.7
140.18144	2.7
141.06937	3.3
143.08548	12.4
145.06459	3.5
145.10089	21.0
147.11681	38.2
149.13191	7.8
155.08557	5.5
157.10133	4.6
159.11685	8.7
161.09642	3.4
161.13185	17.2
163.14821	4.8
169.10133	3.2
171.11687	31.9
173.13303	5.6
175.14925	3.4
185.13167	6.8
189.12744	10.6
207.13846	24.7
259.20490	4.0
261.22031	16.2
279.16037	5.2
281.17334	32.3
335.25793	68.4
351.38644	3.1
449.34271	5.1
485.35822	3.2
541.38892	85.4
542.39478	4.4
559.40204	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01637	2.6
51.02376	3.8
53.03929	7.8
55.01854	6.4
55.05508	25.2
55.40120	2.3
57.03427	12.2
58.54630	2.4
60.52987	2.5
65.03926	5.9
67.05498	86.7
69.07059	25.2
69.94559	11.7
71.04988	3.3
76.33589	2.6
78.51270	2.3
79.05485	100.0
81.03413	6.4
81.06577	4.8
81.07049	78.2
83.04965	14.2
83.08605	9.3
85.06535	4.0
91.05475	70.4
93.07037	87.0
93.07625	4.2
95.04956	22.5
95.08605	54.6
97.06503	5.0
97.10162	5.8
105.07025	42.0
107.04907	4.7
107.08593	33.2
108.25716	2.3
108.57110	2.2
109.06491	7.7
109.10138	18.5
117.06978	15.0
119.08566	30.2
121.06474	3.3
121.10121	13.6
123.08075	6.1
123.11730	3.8
125.09641	2.3
128.06143	4.1
129.06996	19.6
131.08560	13.2
133.10117	17.1
133.32825	2.2
135.11678	11.5
137.13315	2.4
143.08524	13.7
145.10092	20.6
147.11668	38.0
149.13242	6.4
149.42781	2.4
155.08536	3.7
157.10086	4.9
159.11696	7.8
161.09628	3.5
161.13237	15.8
163.14754	3.2
169.10107	6.9
171.11699	25.3
173.13194	6.3
183.11723	4.5
189.12692	10.4
197.13290	4.1
207.13768	26.9
227.12573	3.0
235.95058	2.7
259.20865	2.6
261.22131	15.3
279.15961	6.3
281.17416	41.5
335.25772	52.6
438.51865	2.7
467.34906	3.6
485.36145	4.3
529.38611	3.8
541.38879	73.6
559.39911	23.2
565.23499	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	560.343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99311	1.3
53.03934	5.7
55.01858	2.6
55.05509	10.5
57.03418	2.8
57.07077	2.0
65.03934	1.6
66.57066	1.6
67.05500	12.7
69.03411	4.3
69.07052	7.5
71.04988	2.4
71.52891	2.3
75.26118	1.6
77.03919	1.6
79.05133	1.5
79.05495	18.5
81.03414	30.9
81.07058	17.6
83.04975	6.2
83.08596	5.4
85.02888	2.5
91.05474	29.8
92.05821	1.6
93.07035	100.0
94.07317	1.9
95.04965	12.5
95.08587	6.9
97.02874	4.4
97.06476	3.0
97.10146	2.1
105.07018	16.4
107.04924	3.6
107.08585	48.1
107.55892	1.4
109.02866	7.0
109.06499	3.9
109.10126	2.7
111.08075	3.8
117.07009	2.2
119.08573	11.6
121.10126	2.9
123.11651	1.6
127.03899	16.0
129.06984	5.6
131.08539	5.7
133.10120	7.5
134.10432	2.0
135.08096	1.4
135.11679	74.7
137.09514	1.5
142.71173	1.3
145.10057	2.1
147.11662	5.3
149.09610	2.4
153.12727	1.4
156.73143	1.3
157.10117	3.3
165.09001	1.6
175.11151	4.3
193.12236	13.4
211.13272	27.4
214.17885	2.0
214.21263	1.7
214.41505	1.7
275.20224	1.4
276.20499	1.7
301.14413	3.1
319.15305	1.6
355.17374	5.1
542.35760	2.1
560.36896	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	561.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.3
55.01855	10.4
55.05501	54.5
56.96539	3.4
57.03428	16.5
57.07066	7.3
65.03923	3.7
67.05495	99.1
69.03409	10.1
69.07060	33.1
71.04993	11.4
71.05326	2.1
73.08535	2.2
78.36713	2.4
79.05479	75.5
81.02981	3.3
81.03406	33.9
81.07044	81.3
83.04961	14.4
83.08609	34.4
83.60888	2.2
85.02874	12.6
85.06543	5.5
90.94509	2.3
91.05468	84.6
93.06480	4.9
93.07032	71.7
95.04955	25.6
95.08594	53.0
97.02898	2.6
97.06514	11.0
97.10146	19.6
99.08110	3.9
103.05432	4.3
103.33711	2.5
105.04477	4.2
105.07018	77.6
107.04922	8.9
107.08577	41.1
107.65989	2.8
109.06486	10.5
109.10139	36.3
111.04433	4.1
111.08054	10.3
115.05452	8.2
117.06356	2.5
117.07005	32.2
119.08562	63.8
120.81911	2.1
121.06483	5.5
121.10130	31.2
123.08008	5.7
123.11705	6.2
125.09626	12.2
128.06177	6.5
129.06966	29.4
130.07713	3.6
131.08543	54.8
133.06487	3.6
133.10097	44.9
135.07971	2.8
135.11682	20.1
137.09557	6.1
139.11171	4.1
141.06963	8.7
142.07761	4.7
143.08536	31.2
145.10104	40.6
147.08080	6.0
147.11652	46.6
149.09555	7.3
149.13242	8.4
151.11176	3.8
155.08575	15.6
156.09309	3.8
157.10120	27.9
159.11656	28.4
161.09601	3.2
161.13217	30.3
163.11174	7.6
165.12796	2.6
167.08543	4.5
169.10101	14.3
171.11650	20.9
173.09644	3.0
173.11763	5.2
173.13226	21.6
175.11226	11.9
175.14792	11.2
177.12766	3.0
181.10052	7.4
183.11682	11.2
185.13176	18.3
187.11136	3.6
187.14775	9.8
189.11168	9.2
189.12662	5.4
193.12204	32.3
195.11620	6.8
197.13208	10.6
199.14735	15.6
201.12628	2.5
201.16422	2.8
209.13222	6.4
211.13206	32.5
211.14903	4.7
213.16408	4.8
215.17824	3.2
221.13217	5.8
223.14838	5.9
225.16472	3.5
227.12703	8.2
229.14304	10.2
235.14711	2.6
241.19487	21.7
247.14801	2.6
249.07607	3.0
257.19016	4.0
259.20526	53.9
261.22119	2.7
267.09024	7.8
267.15894	6.9
273.21948	3.1
275.20169	3.9
277.21591	5.7
285.10117	22.5
285.16864	26.3
287.23532	3.8
297.22119	12.5
299.23615	6.5
301.21780	3.9
315.23206	17.8
317.24808	4.5
321.21994	3.1
325.21539	3.8
333.24167	29.4
335.23596	2.5
351.18121	2.8
353.24875	3.5
371.25980	3.0
381.19275	2.9
389.26965	3.3
391.80685	2.8
396.66739	2.8
415.29794	4.9
423.32150	3.4
433.31107	20.2
441.33005	2.6
451.32101	20.7
469.33328	14.2
487.33972	6.8
507.34442	3.8
515.37085	4.4
517.35248	3.4
525.35596	33.1
543.36761	100.0
544.37109	4.2
561.24493	7.7
561.37891	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	561.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.3
54.41609	3.0
55.01862	8.2
55.05512	40.9
55.05760	5.0
57.03429	19.0
57.07082	5.6
65.03924	4.3
67.05502	100.0
69.03429	5.6
69.07065	29.3
69.84320	6.8
69.84731	8.7
71.04983	9.7
79.05009	2.9
79.05488	68.3
81.03412	52.5
81.07050	70.2
83.04984	21.0
83.08620	32.8
85.02886	13.1
85.06554	8.7
89.04021	2.8
91.05474	82.6
93.07037	65.5
95.04977	27.5
95.08601	47.2
97.06527	11.6
97.10148	26.8
98.21430	3.1
99.08096	4.7
103.05504	3.4
105.07025	74.5
107.04958	8.6
107.08591	42.3
109.06499	7.2
109.10146	34.9
111.04459	3.6
111.08068	12.0
113.09672	3.7
115.05421	6.3
117.07006	33.2
119.04956	2.9
119.08569	67.6
119.09362	5.2
121.06510	6.8
121.10147	26.0
123.04446	3.0
123.08040	7.2
123.11684	6.6
125.09634	11.5
128.06244	7.4
129.06999	32.7
131.08562	55.9
133.06503	6.7
133.10130	40.7
135.08012	5.7
135.11682	20.2
137.09578	5.5
137.13234	3.0
141.06998	6.0
142.07759	4.8
143.08569	25.6
145.06497	4.7
145.10126	34.6
147.08035	6.2
147.11691	44.0
149.09631	9.5
149.13266	9.9
155.08496	13.9
157.10114	31.1
159.11693	32.4
161.09602	3.0
161.13258	30.1
163.11198	7.5
163.14796	2.9
165.12737	5.6
167.08618	6.0
169.10077	13.6
171.11684	29.0
173.09601	3.6
173.11852	4.5
173.13289	17.9
174.61646	3.0
175.11179	14.3
175.14844	11.5
177.09177	3.8
178.09404	4.0
181.10136	6.7
183.11720	13.3
185.13228	14.8
187.14818	9.3
189.11241	5.3
189.16374	3.3
193.10397	3.9
193.12254	36.6
195.11696	11.3
195.50009	2.5
197.13193	6.8
199.14867	10.2
201.16373	3.3
202.90504	2.6
209.13239	5.2
211.13252	47.2
211.14987	3.9
213.16417	3.5
221.13364	3.1
223.14914	5.4
225.16469	3.5
227.12801	8.7
229.14397	10.1
231.21085	3.9
241.19530	17.7
259.20557	48.9
267.16003	10.5
283.15375	3.0
285.16922	30.8
297.22125	8.7
299.23743	6.7
301.21628	3.1
315.23190	17.5
317.24539	3.3
333.24194	29.5
353.24692	4.2
389.26974	5.7
405.31989	3.3
415.29678	5.1
423.32468	3.0
433.30789	14.6
439.63876	3.1
440.45929	3.3
445.82236	2.9
451.32034	19.5
469.33047	12.8
477.32059	3.5
485.32907	3.8
507.34363	4.1
515.37280	5.8
525.35925	26.1
538.64850	3.0
543.36749	96.7
561.30145	7.2
561.37738	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	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.5
55.01865	13.6
55.05509	41.5
57.03437	18.9
57.07079	4.9
65.68217	3.0
67.05499	100.0
69.03438	5.0
69.07064	30.7
69.24348	27.6
69.24760	7.9
71.04989	9.0
79.05492	65.1
81.03415	34.8
81.07047	83.3
83.04979	13.4
83.08619	27.1
85.02914	10.4
85.06529	5.6
91.05474	81.8
91.06016	6.5
93.06478	4.3
93.07038	58.7
95.04952	22.8
95.08597	51.5
97.06529	16.5
97.10172	19.1
98.20753	4.7
105.07020	73.0
107.04958	13.3
107.08591	39.6
107.55284	3.2
109.06510	8.6
109.10149	37.9
111.08086	8.5
117.07009	33.0
119.08578	55.2
120.08955	3.8
121.06467	6.8
121.10143	28.1
123.04420	6.7
123.08041	7.5
123.11700	7.7
125.09642	12.1
129.07007	29.8
130.07828	3.2
131.08549	47.1
133.10126	35.1
135.08051	9.1
135.11673	15.5
137.09557	7.9
137.17604	2.9
141.06956	5.7
142.07747	6.8
143.08536	22.3
145.10109	36.8
147.08058	6.8
147.11667	37.7
149.09590	9.5
149.13272	11.0
151.07559	6.0
151.11160	3.6
155.08556	11.9
157.10132	29.5
159.11690	22.8
161.13239	19.4
163.07562	3.9
163.11172	5.7
165.09131	3.7
165.12762	4.2
167.08476	3.9
169.10115	10.8
171.11687	20.1
173.11847	5.3
173.13202	16.0
175.11211	9.9
175.14868	8.8
177.09081	5.0
179.08511	3.6
181.10118	7.1
183.11728	13.4
185.13200	16.6
187.14812	8.1
189.09248	3.0
189.11246	8.3
193.10506	4.1
193.12201	30.1
195.11697	9.7
195.13559	3.6
197.13281	9.7
199.14806	8.3
201.16388	4.8
209.13289	4.0
211.13248	42.6
211.16524	3.3
223.14824	4.3
227.12747	10.3
229.14339	9.1
241.19495	15.6
259.20602	32.4
261.56683	3.6
267.15918	3.6
267.21384	3.7
275.20319	3.8
277.21640	5.6
285.16919	21.4
285.21985	4.9
287.23804	3.2
297.22101	5.9
299.23636	7.0
315.23154	14.9
317.24750	3.3
325.21521	4.2
333.24161	19.7
339.22900	3.7
389.26804	4.3
415.29941	4.5
433.30939	16.2
451.32123	20.1
469.33133	16.0
487.34076	8.8
507.34833	6.2
515.37079	4.5
517.35309	5.7
525.35730	35.6
543.36719	97.0
561.31189	3.8
561.38019	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.6
55.01865	25.7
55.05507	37.8
57.03422	8.7
57.07067	18.1
59.04973	2.0
65.03933	5.7
67.05500	92.3
69.03411	6.4
69.07066	28.1
71.04994	10.4
71.08638	2.4
73.02903	3.7
79.05484	96.8
80.06245	4.9
81.03413	22.1
81.07046	87.4
82.04185	7.5
83.04977	19.9
83.08617	14.5
85.02891	6.7
85.06528	5.5
91.05476	82.0
91.05966	1.6
92.06238	3.1
93.07036	100.0
94.07813	6.2
95.04969	27.7
95.08603	56.4
97.06514	11.4
97.10178	11.1
98.07300	8.7
98.21509	6.9
99.08109	3.2
103.05441	3.5
105.06306	2.8
105.07020	57.1
105.07690	4.0
106.07787	1.9
107.04939	8.3
107.08587	44.6
109.06522	7.7
109.10140	24.2
111.04427	2.6
111.08085	9.4
117.07011	19.7
119.08568	40.5
120.09377	2.9
121.06495	4.3
121.10138	37.4
123.08049	10.9
123.11710	6.6
125.09618	10.2
127.11173	3.8
129.05515	2.4
129.06973	10.6
131.08548	30.7
133.10123	32.3
134.10883	3.4
135.08052	5.5
135.11679	26.0
137.09650	4.8
141.07013	2.0
143.08556	8.0
145.10104	19.7
147.07999	3.4
147.11705	22.6
149.09543	4.5
149.13231	8.6
151.07561	4.5
151.11169	3.8
153.12645	2.4
157.10106	11.6
159.11656	12.1
161.13268	8.2
163.11157	6.9
163.14807	2.9
165.12733	2.2
169.10115	2.6
171.06494	5.8
171.11688	6.1
173.13229	9.2
175.11194	6.7
175.14824	3.9
181.12268	2.4
183.11713	2.9
185.13249	4.6
187.14818	5.3
189.12793	2.9
189.16415	2.1
193.12195	11.4
201.14787	2.0
201.16573	3.3
209.11809	2.2
211.13245	7.6
227.12730	10.5
229.85086	2.7
241.19690	1.9
247.16930	3.5
255.15836	3.7
259.20593	3.2
261.22250	5.3
267.15881	3.3
275.19931	2.7
277.21649	7.7
283.15417	3.1
311.22168	2.4
315.23199	6.3
317.24823	5.2
335.25632	5.5
351.25604	2.6
389.26831	9.0
390.45398	2.6
394.39490	2.0
433.30423	2.3
469.33014	3.4
487.33929	2.8
515.36975	4.5
525.35693	3.1
543.36951	18.7
544.82343	2.4
561.37830	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01931	1.7
53.03931	3.9
54.03120	2.1
55.01865	3.8
55.05503	18.2
57.03420	8.8
57.07058	3.3
65.03922	2.4
67.05499	55.4
68.60561	1.9
69.03412	2.2
69.07072	13.8
70.56663	4.7
70.56991	2.4
71.04977	4.8
71.31696	1.7
79.05482	50.9
81.03418	4.6
81.07043	57.8
83.04976	4.6
83.08622	11.6
91.05473	20.2
93.07030	57.6
94.07380	2.3
95.04962	8.8
95.08591	67.1
97.02882	3.7
97.06510	5.6
97.10178	2.9
99.04449	3.2
105.07022	19.0
107.04939	9.0
107.08574	40.8
109.06490	5.1
109.10151	17.4
117.07005	14.0
119.08558	18.8
121.06480	5.5
121.10121	23.6
121.10906	2.0
123.11703	9.4
125.09570	2.3
126.23581	2.0
130.07756	2.6
131.08563	11.1
133.10097	12.1
135.08047	3.5
135.11681	56.6
137.13271	2.4
145.10121	32.0
147.11674	7.7
149.13248	6.6
155.08650	2.7
159.11682	7.6
161.13239	4.6
163.11174	47.9
163.14796	4.9
173.13249	4.6
177.09068	3.7
181.12192	9.3
187.14764	2.8
209.11649	2.6
227.12752	100.0
228.12997	2.2
243.21164	4.1
261.22119	24.6
277.21432	2.1
283.15378	38.2
317.24725	7.9
335.25760	53.6
408.63602	2.0
469.33194	4.2
543.36755	33.4
561.38660	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	561.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.8
55.05506	21.1
57.03418	9.0
63.31818	2.4
65.03929	3.2
67.05501	60.9
67.05840	2.3
69.07057	22.4
71.04974	5.9
71.08613	2.9
71.20639	2.2
71.52330	3.6
73.02917	2.4
79.05067	4.7
79.05488	56.5
81.03416	5.9
81.07050	67.3
83.04956	5.5
83.08607	13.9
85.06506	2.8
91.05470	26.3
93.07034	70.8
95.04955	11.8
95.08603	71.6
95.85126	2.6
97.02872	4.3
97.06521	5.7
97.10181	2.9
99.04437	5.2
105.07018	26.4
105.95692	2.1
107.04926	7.8
107.08582	48.4
109.06510	3.8
109.10158	24.9
111.08083	3.8
114.84814	2.4
116.49590	2.2
117.07008	14.4
119.08568	19.8
121.06483	6.5
121.10130	30.4
123.11662	8.2
127.07529	2.9
131.08551	10.2
133.10155	15.5
135.08064	3.0
135.11674	53.7
135.12694	2.9
145.10100	34.5
145.70413	2.3
147.11687	7.2
149.13242	8.8
151.11192	3.7
155.08458	2.1
157.10164	3.7
159.11688	6.0
160.02420	2.5
161.13217	6.2
161.32883	2.4
163.11157	49.7
163.14882	3.4
173.13255	8.3
177.16258	2.5
179.14302	2.1
181.12192	8.1
187.11020	2.9
187.14746	3.6
203.36002	2.3
227.12759	100.0
243.21117	5.5
261.22122	28.6
267.15891	2.4
277.21689	3.8
283.15372	30.5
317.24680	9.3
335.25766	74.0
543.36823	43.5
561.37988	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.6
53.00290	1.6
53.03938	6.1
55.01865	4.1
55.05503	22.7
57.03438	4.6
57.07077	4.0
57.84366	1.3
65.03938	4.4
67.05497	84.8
69.03438	4.2
69.07059	21.7
71.04984	51.3
71.08631	1.7
72.24432	1.4
76.27200	1.7
79.05485	64.4
81.03410	4.3
81.07047	100.0
83.04975	10.8
83.08611	13.8
85.06556	7.0
91.04894	2.8
91.05469	62.4
93.07035	63.4
95.04958	10.8
95.08595	46.0
95.09162	2.8
97.06509	9.9
97.10175	5.0
99.08076	3.6
105.04507	1.8
105.07018	37.4
107.04965	1.8
107.08579	37.3
109.06544	4.8
109.10137	20.7
111.08074	4.3
117.07007	11.1
117.93539	1.4
119.08562	19.2
121.06528	1.9
121.10132	24.1
123.08080	3.7
123.11682	20.9
126.10947	1.5
129.07037	2.2
131.08551	17.9
133.10115	33.6
135.08043	1.6
135.11711	13.7
137.09561	1.6
139.11166	1.5
141.06946	1.4
143.08598	3.7
145.10104	11.0
147.11688	10.2
149.13260	12.6
151.11163	14.4
153.12718	1.7
157.10143	3.8
159.11652	14.8
161.13229	7.4
169.10146	2.2
171.11716	3.0
173.13292	5.7
175.14824	3.5
177.12764	4.3
179.14330	2.2
183.13788	15.5
185.13272	2.9
187.13353	3.4
187.14880	3.3
195.13853	5.5
199.14925	2.2
218.47604	1.6
261.22168	5.0
283.18948	2.0
285.17084	3.4
285.22409	2.8
289.21558	2.7
317.24905	1.9
361.27423	1.8
363.25394	2.1
437.34149	3.0
450.31726	1.6
455.34924	1.8
462.36798	1.6
485.35892	1.5
511.37692	2.8
517.38861	26.7
529.38855	35.8
530.39087	1.7
561.41553	69.2
562.41406	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03186	2.3
53.03941	4.9
55.01840	4.0
55.05507	12.7
57.03422	15.0
65.03928	2.6
67.05228	2.2
67.05502	22.9
69.03411	5.2
69.07044	7.2
69.74178	12.1
71.04978	5.2
79.05481	23.7
81.03407	100.0
81.07046	24.1
83.04969	14.0
83.08605	25.5
83.66258	2.0
85.02893	15.3
91.05470	26.5
93.07032	15.5
95.04960	31.0
95.08057	2.0
95.08566	12.2
97.02880	3.3
97.06509	5.0
97.10141	8.6
103.19690	2.1
105.07019	20.4
107.04936	11.0
107.08588	11.1
109.06490	4.9
109.10139	6.1
111.04388	3.2
111.08058	8.8
114.05492	2.3
115.05461	4.3
117.06997	4.7
119.04965	2.9
119.08546	15.4
121.06544	5.0
121.10109	9.1
123.04418	3.1
123.08018	3.6
129.06985	16.5
131.08589	12.7
133.06490	6.2
133.10118	9.4
142.07776	3.2
145.06392	2.3
145.10057	2.9
147.04344	2.7
147.08006	5.4
147.11678	11.7
149.09612	8.0
151.03844	2.7
157.10136	10.6
161.05939	2.5
165.12723	3.5
175.11186	13.6
193.10594	4.1
193.12222	34.9
211.13269	21.2
249.14874	2.6
267.15878	94.7
273.14819	3.9
273.18277	2.7
285.16867	26.0
320.10785	2.3
349.21399	3.3
367.22571	12.1
381.08798	2.4
385.23660	9.0
403.24670	4.8
423.70233	2.1
433.25739	6.2
441.26498	3.4
459.21237	3.8
459.27377	51.4
477.28470	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.3
55.01858	7.7
55.05506	30.8
56.26313	2.2
57.03424	10.0
57.07070	6.0
65.03947	5.4
67.05497	100.0
68.05837	4.9
69.03423	40.6
69.06774	2.4
69.07065	25.7
69.65108	16.2
70.51495	2.0
71.04701	2.0
71.04990	21.4
79.05482	61.9
80.05824	3.6
81.03408	49.3
81.07045	98.9
82.07392	5.4
83.04971	11.5
83.08604	11.9
85.02901	27.2
85.06508	5.8
87.04465	3.1
87.39102	2.7
91.04893	3.6
91.05470	63.1
92.05785	2.8
93.07029	87.4
94.07343	4.4
95.04951	13.0
95.08595	69.0
96.08949	4.3
97.02879	26.1
97.06528	7.8
97.10168	7.7
99.04453	7.8
103.03932	3.5
103.87287	2.2
105.07020	68.9
106.07349	3.9
107.04949	4.5
107.08578	52.0
108.04467	6.8
109.02853	11.5
109.06506	9.5
109.10138	34.0
111.04436	8.3
111.08085	5.4
115.03914	3.0
117.06996	25.4
119.08562	39.1
121.06467	4.7
121.10129	42.9
123.08067	5.1
123.11703	16.6
125.09608	4.3
127.03898	15.7
128.06218	3.8
129.05411	4.1
129.06982	15.5
130.35106	2.2
131.08553	37.2
133.06494	3.8
133.10104	31.0
135.08037	6.3
135.11688	26.9
137.05994	2.6
137.09604	3.2
137.13226	3.2
140.38164	2.4
141.06996	4.7
143.08521	11.2
145.04944	3.1
145.06485	3.1
145.10117	24.7
147.08043	3.6
147.11664	19.3
147.60428	2.8
149.09596	5.7
149.13260	14.4
151.11179	9.0
155.08514	8.6
157.06454	2.6
157.10117	12.0
159.07993	3.6
159.11661	28.4
161.09584	3.7
161.13281	14.1
163.07588	2.9
163.11140	3.9
163.14740	5.5
165.12875	3.3
167.08479	2.6
169.10130	5.6
171.08064	2.7
171.11652	13.2
173.09706	2.9
173.13275	20.2
175.11122	4.1
175.14835	6.4
177.12691	2.8
177.16396	3.0
181.10112	5.8
183.08070	2.2
183.11694	5.0
183.13858	2.9
185.13264	8.6
187.11140	3.3
187.14795	8.6
189.12723	3.1
191.14322	3.5
195.13771	3.0
197.09776	2.7
197.13191	6.2
199.14838	7.1
201.16428	2.8
203.10686	2.6
205.15810	3.1
207.11748	3.0
209.13318	5.6
215.14302	2.4
217.15881	2.7
223.14919	3.0
235.13260	3.5
241.19475	3.9
243.21053	4.4
259.20496	6.7
261.22134	19.5
262.16071	2.3
265.19806	2.1
271.20682	3.7
273.21921	4.4
275.23578	2.6
277.14392	3.4
277.21606	11.2
279.23270	4.6
281.22610	2.7
285.22101	6.0
287.20291	3.0
289.21625	7.5
291.23206	5.8
299.23535	2.6
301.21582	6.0
303.23111	17.0
313.21414	2.9
315.23093	6.3
319.22659	6.7
323.23657	4.3
327.23160	8.0
341.24677	8.4
345.24277	4.1
351.23328	11.7
359.25693	5.7
369.24207	28.2
387.25250	22.9
397.15521	3.0
405.26373	26.0
423.27512	7.6
518.39069	8.5
530.39227	6.9
562.41925	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	563.1541
Annotation	Epicatechin-(4beta->8)-epiafzelechin
Peak:m/z	Relative Intensity
52.62877	0.9
55.01868	1.6
65.03939	1.4
67.05501	1.3
68.99767	5.3
69.72953	1.0
70.67648	1.2
70.68012	3.1
79.05493	1.5
80.96183	1.0
91.05445	7.7
95.04961	3.4
105.06997	1.8
107.04945	100.0
111.00838	1.1
111.04434	2.9
115.05445	1.9
117.06999	1.2
119.04932	58.6
121.02836	4.9
122.91925	1.0
123.04409	29.1
127.03896	4.8
133.06470	8.4
135.04405	1.9
137.05882	1.2
139.02794	2.0
139.03883	34.5
141.06845	1.5
145.06468	11.7
147.04393	52.8
149.02330	9.2
151.03891	13.4
157.06516	4.2
159.04378	1.3
159.08096	1.2
161.05949	7.2
163.03850	5.9
165.05457	5.3
167.03386	22.4
167.04738	1.5
171.04369	10.8
171.08031	1.2
175.03946	3.1
177.05446	3.3
179.03354	10.6
181.06459	2.3
185.05930	4.9
187.03914	1.6
187.07561	4.1
189.05399	8.4
191.03383	12.7
193.04897	5.5
199.07529	3.7
201.05548	3.1
203.03386	9.7
205.04915	2.2
207.06508	1.6
213.05511	4.8
215.03363	2.0
215.06918	1.9
223.14928	1.1
227.07060	6.2
229.04955	4.2
231.06487	25.0
233.04427	5.2
239.07030	2.4
243.06506	10.6
245.04465	6.4
245.07990	4.9
251.05580	2.1
255.06494	17.1
257.04443	9.5
257.07938	1.8
258.05069	1.6
259.05859	1.5
267.06519	7.2
269.04553	1.7
273.07535	27.8
275.05496	18.7
285.07565	16.9
287.05484	24.6
291.08594	13.5
299.05450	3.0
303.08517	2.4
393.09668	18.8
395.11093	3.7
405.09436	1.2
409.09125	9.8
411.10947	2.3
421.09747	1.3
423.10153	1.3
427.10254	2.2
437.12305	1.4
450.16226	1.1
468.48236	1.1
546.16626	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1542
Annotation	Epicatechin-(4beta->8)-epiafzelechin
Peak:m/z	Relative Intensity
53.03942	1.7
55.01864	3.2
62.96486	1.3
63.13402	1.1
65.03925	2.1
65.81220	1.1
67.05484	1.4
68.99771	6.5
71.31985	2.0
79.05493	1.8
81.03427	1.3
88.55239	1.0
91.05464	8.1
93.03409	1.7
95.04945	5.2
107.04943	100.0
111.00783	2.7
111.04420	2.6
117.06976	1.8
119.04929	73.9
121.02837	4.7
123.04415	46.6
123.05328	2.5
127.03881	3.5
133.06473	10.8
133.29256	1.3
135.04367	3.3
139.02798	2.1
139.03886	49.3
145.06464	15.4
147.04393	65.8
149.02316	9.2
151.03882	18.1
157.06438	4.4
161.02328	1.6
161.05977	8.3
163.03874	9.0
165.05487	7.5
167.03389	14.7
169.06485	1.6
171.04373	9.4
171.05562	1.5
171.08031	2.2
175.03862	4.1
177.05429	2.8
179.03397	13.9
179.07072	1.5
181.06506	1.5
185.05959	6.1
187.07494	4.3
189.05444	13.1
191.03391	16.5
193.04959	5.5
197.05952	1.7
199.07458	3.3
201.05431	5.7
203.03401	9.6
205.04898	2.2
207.06459	3.3
213.05443	3.7
215.03401	2.2
215.07030	3.1
217.04929	1.4
227.06923	6.6
229.04939	5.3
231.06485	30.4
233.04436	6.2
239.07054	3.8
243.06451	11.0
245.04482	9.6
245.08029	3.7
251.05391	2.0
255.06508	16.7
257.04425	17.2
258.05222	1.7
267.06473	8.3
268.07022	1.3
269.04431	3.2
271.06088	2.3
273.07550	29.3
275.05447	19.8
285.07532	18.3
287.05484	29.3
291.08594	20.7
299.05408	4.2
369.05734	1.4
393.09656	17.5
395.11176	1.5
401.15796	1.7
409.09113	10.1
411.10715	3.6
493.70065	1.3
514.46008	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01863	2.2
65.03937	2.5
65.20081	0.7
68.99793	6.2
70.98749	1.2
79.05487	1.6
91.05463	6.7
93.03397	0.8
95.04964	2.4
97.50646	0.8
105.07022	1.0
107.04945	100.0
108.05264	1.3
111.00798	2.6
111.04445	4.2
115.05405	1.0
117.06972	1.1
119.04929	53.3
121.02841	5.9
123.04418	34.4
123.05328	1.4
127.03906	3.3
129.06895	0.9
131.08534	0.9
133.06473	8.4
135.04399	2.3
139.03885	41.3
143.04933	1.4
145.06468	10.9
147.04395	54.6
149.02327	10.0
151.03883	12.2
153.07080	1.5
157.06473	4.4
159.04263	0.8
161.05971	6.6
163.03922	7.3
165.05478	7.2
167.03386	19.1
169.06441	1.5
171.04375	11.2
171.05678	1.0
171.08041	1.5
173.05943	1.1
175.03879	4.9
177.05466	3.6
179.03387	12.4
179.06870	1.0
181.06468	2.8
185.05995	5.7
187.03963	2.6
187.07489	3.8
189.05432	9.8
191.03360	12.8
193.04968	5.8
197.05981	1.4
199.07529	2.8
201.05524	5.2
203.01669	1.2
203.03397	9.9
203.06863	0.9
205.04932	1.8
207.06497	3.0
213.05565	3.7
215.03421	1.6
215.06952	3.9
217.05077	1.1
227.07025	5.0
229.04979	4.4
231.06512	25.7
232.06889	1.0
233.04396	7.1
238.12152	0.8
239.06979	3.3
241.04782	1.1
243.06479	9.5
245.04408	7.6
245.08005	4.6
251.05664	1.0
255.06519	14.5
257.04437	12.9
257.08096	2.4
267.06537	8.3
269.04468	3.6
271.06073	1.3
273.07544	27.0
275.05457	20.5
276.05869	0.8
279.28607	0.8
285.07556	20.6
287.05478	31.8
291.08615	13.5
299.05386	6.2
303.08627	3.1
331.07867	1.0
393.09653	19.3
395.11172	3.0
405.09793	1.2
409.08981	8.8
411.10834	4.9
427.10318	2.8
563.21704	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07719	0.7
53.03944	1.4
55.01865	3.7
56.96560	2.2
57.03433	1.2
60.73115	0.6
61.02917	1.7
63.13118	0.6
65.03935	2.3
67.01856	0.8
67.05486	0.8
68.99792	6.0
69.03428	4.0
69.23843	0.8
69.24179	7.2
69.62234	0.5
73.02904	1.8
79.05479	1.6
81.03404	1.7
84.96040	0.6
85.02896	10.2
85.29377	0.5
87.04449	0.7
88.46152	0.6
89.03915	1.1
91.03935	0.9
91.05476	8.0
93.03384	0.8
95.04961	4.4
97.02880	5.2
98.01350	0.6
98.97565	3.9
101.00914	0.6
103.05452	0.6
105.07013	1.4
106.43427	0.6
107.04948	100.0
108.05261	0.9
109.02874	1.4
110.97525	0.7
111.00817	2.0
111.04445	3.7
115.05491	0.7
116.98632	3.6
117.00426	0.6
117.07014	1.4
119.01915	4.2
119.04933	54.4
121.01650	1.5
121.02849	6.0
123.04421	33.0
127.03908	10.0
128.98637	1.0
131.00192	0.8
131.01895	1.5
131.04944	1.8
133.03448	1.4
133.06476	7.9
134.99661	1.6
135.03432	1.1
135.04350	3.6
137.02271	0.8
137.05981	2.2
139.03897	35.0
139.91292	0.6
141.06961	0.9
143.01910	1.8
145.03496	1.4
145.04979	2.8
145.06483	12.8
146.99672	1.5
147.04399	64.4
148.04826	1.7
149.02304	10.1
149.05991	0.8
151.03877	15.1
155.01848	1.7
157.03506	1.4
157.06471	4.7
158.86813	0.6
158.99695	1.6
159.03201	0.8
161.01270	0.9
161.02921	3.3
161.05972	8.4
163.02678	0.9
163.03888	11.3
164.04332	0.7
165.05501	7.7
167.01981	1.3
167.03389	19.6
167.07045	2.4
168.05713	0.9
169.06435	1.3
170.99637	1.3
171.02939	0.8
171.04332	12.2
171.08028	1.0
173.01442	0.6
173.02885	2.9
173.13455	0.6
175.03885	3.8
177.00746	1.0
177.04160	1.0
177.05501	2.5
179.01956	0.5
179.03386	11.7
179.07019	0.8
181.04951	1.7
181.06526	2.5
182.99684	0.6
185.02939	1.7
185.05971	4.4
186.03032	0.8
187.04082	1.1
187.07515	3.1
189.00729	1.0
189.05475	11.1
191.03392	14.3
193.04999	4.8
193.08641	0.8
197.03082	1.0
197.06055	1.6
199.07574	3.5
201.00691	1.5
201.05391	3.5
203.03387	9.7
205.05040	1.5
207.06534	2.3
211.04567	0.9
213.05434	4.5
215.03511	2.0
215.07074	1.5
217.05078	1.9
219.01765	2.3
220.06845	4.3
220.56944	2.7
221.05011	0.9
221.06879	2.2
225.06190	1.7
227.06999	5.8
229.04939	4.6
231.01660	0.7
231.06508	25.7
233.04466	6.0
237.02814	2.0
239.04506	0.9
239.06990	1.2
240.58212	0.7
241.05098	0.8
243.06520	11.4
245.04628	10.4
245.07840	4.6
246.05232	0.8
247.05144	1.1
251.05560	1.2
255.06511	16.5
257.04459	10.8
257.08197	1.3
258.05252	1.4
259.06097	2.0
261.02719	1.5
267.06485	8.5
269.04520	2.0
271.06131	2.1
272.06345	1.0
273.07559	33.0
274.08051	0.8
275.05527	18.5
279.03949	0.9
281.04785	1.3
281.07761	2.9
285.07568	17.9
287.05472	30.4
288.05850	0.9
290.12497	0.7
291.08624	16.5
291.14200	1.0
296.08411	1.3
297.06998	0.7
299.05594	4.6
303.08682	2.9
305.08972	1.1
311.06293	0.9
312.07434	0.8
341.07013	1.1
359.56345	0.7
362.09802	0.7
367.08679	0.7
371.10083	2.2
381.07367	0.8
393.09637	22.4
395.11444	3.7
405.09598	0.8
409.09079	9.5
411.10773	4.4
419.11505	0.8
427.10345	2.2
429.11566	1.1
429.19543	1.0
453.10931	0.8
545.69073	0.6
563.04254	1.0
563.14038	1.0
563.21667	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	563.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99791	0.7
69.93914	2.3
79.05508	0.5
82.34312	0.5
91.05481	1.5
95.04978	0.8
102.80782	0.7
107.04946	24.5
111.04436	0.7
113.02122	0.8
113.31713	0.5
115.05456	0.6
119.04937	7.5
121.02846	0.6
123.04420	13.4
133.06467	1.5
135.04396	1.2
137.05962	1.2
139.03886	4.6
145.06506	1.2
147.04391	9.5
149.02354	1.1
151.03912	1.6
159.04178	1.1
161.05983	1.9
163.03882	1.5
163.07556	0.9
165.05482	1.4
167.03436	2.5
171.04427	1.7
175.03929	0.7
177.05348	0.6
179.03282	2.4
185.04210	1.7
185.05933	1.4
189.05437	1.7
191.03398	1.9
193.04997	1.3
199.07544	1.0
201.03702	1.1
201.05411	0.8
202.05911	1.0
203.03369	1.8
203.05266	4.9
204.07596	2.5
207.06535	0.7
213.05513	1.2
227.07089	0.9
229.05046	0.9
231.06525	6.7
233.04446	1.0
241.04761	0.6
243.06482	0.6
245.04436	3.5
245.08365	0.6
255.06587	2.7
257.04413	2.9
258.05203	1.0
267.06546	1.3
269.08020	1.2
273.07550	4.2
275.05417	4.0
285.07593	3.6
287.05435	8.3
291.08588	1.4
299.05576	1.9
337.12637	0.7
365.11853	0.7
366.12900	1.8
393.09586	2.9
395.11255	0.9
401.15729	0.8
409.08994	4.7
411.10956	0.8
419.11319	2.1
437.12436	0.7
439.10474	0.8
530.05005	0.6
563.20941	100.0
564.21503	3.0
578.40918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09861	2.9
53.03951	6.6
55.01859	7.2
55.05505	19.1
56.86521	3.1
57.03432	6.3
58.98333	3.3
65.03925	4.5
67.05499	48.9
69.03417	11.8
69.07057	16.4
70.29391	2.7
71.04987	5.2
71.53076	5.3
74.02564	2.7
79.05495	38.6
81.03413	34.8
81.07052	61.3
81.94069	3.2
82.07381	3.1
83.04966	6.3
83.08612	9.7
85.02903	10.4
91.05469	30.0
93.07037	47.1
95.04966	12.9
95.08598	41.1
97.02898	15.4
97.06544	5.4
97.10101	4.9
97.74139	3.5
103.03952	4.0
105.07002	22.0
107.04954	6.1
107.08585	28.9
109.02882	12.0
109.06509	5.8
109.10165	21.6
117.07002	15.3
119.08556	23.3
121.10118	23.1
123.11722	11.9
127.03893	7.9
131.08560	15.0
133.06561	3.8
133.10133	17.0
135.11653	17.3
137.05962	18.6
141.05455	100.0
142.40033	3.2
143.08537	5.7
145.10133	14.1
147.11700	8.6
149.13229	8.6
151.03893	4.2
151.07584	9.6
153.05443	20.7
157.10109	6.2
159.11684	8.1
161.05872	3.7
161.13235	8.2
163.14780	4.1
165.05473	28.7
173.09644	4.2
173.13249	4.6
177.05486	8.1
179.07053	6.4
183.06519	36.9
191.07155	3.5
203.07036	8.9
207.06403	15.6
220.89053	3.3
231.06552	25.0
235.81165	3.4
249.07585	13.2
261.22150	13.8
277.21640	6.4
312.63330	3.7
327.23007	3.4
352.28131	3.6
369.24033	5.9
405.26111	5.2
485.45663	4.3
563.39026	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	563.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.01862	8.7
55.05504	35.9
57.03424	10.3
57.07053	4.3
65.03934	4.3
65.52561	2.2
67.05503	93.6
69.03409	3.4
69.07074	20.3
71.04977	5.9
79.05485	49.9
80.05801	2.7
81.03422	21.3
81.07050	100.0
83.04982	13.7
83.08600	24.3
85.02911	8.0
85.06530	5.8
91.05477	47.3
92.05818	2.9
93.07033	66.9
95.04974	17.1
95.08597	66.8
97.06520	8.8
97.10151	15.8
98.20765	4.7
99.08102	3.4
99.54575	2.2
103.05426	3.0
105.07021	48.4
107.04931	4.3
107.08582	39.5
109.06493	4.6
109.10152	31.3
111.04426	7.2
111.08057	7.3
113.05965	2.8
117.07027	13.8
119.08581	35.3
120.18548	2.9
121.06519	4.6
121.10140	24.5
123.08092	2.7
123.10929	2.7
123.11694	14.1
125.09630	13.2
128.06239	2.6
129.07016	11.4
131.08553	31.4
133.10127	24.4
135.08029	3.8
135.11678	20.9
137.09619	4.9
143.08542	11.3
145.10104	26.6
147.08044	2.9
147.11670	26.1
149.09593	5.8
149.13258	14.4
153.12671	2.8
155.08498	3.7
157.10126	16.1
159.11694	15.8
161.13246	7.4
163.11191	5.2
167.44498	2.5
169.10103	3.2
171.11671	8.3
173.11821	4.6
173.13268	8.9
175.11157	4.2
175.14740	3.6
177.12761	2.6
181.12299	3.7
183.11700	5.0
185.13211	7.5
187.14832	6.9
189.11154	8.7
191.10666	2.9
193.12198	18.2
194.03862	2.3
197.13213	3.9
199.14832	3.8
209.13397	3.1
211.13232	26.9
211.14845	3.1
213.16409	4.2
227.12756	8.9
229.14380	7.2
261.19141	3.5
261.22128	17.8
267.15851	3.9
273.18765	2.3
273.22101	2.7
275.19809	2.4
277.21445	4.3
279.22791	4.4
283.15463	2.4
285.16989	18.9
285.22018	8.0
299.23685	4.1
301.25171	4.2
303.23199	6.8
317.24655	4.7
335.25903	17.6
399.28815	3.2
435.32315	12.2
453.33496	15.3
471.34729	12.6
473.32919	4.2
487.33636	3.5
489.35660	3.2
504.50357	2.3
527.37250	35.2
545.38300	80.4
563.39478	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	563.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.6
54.76206	1.7
55.01869	9.4
55.05507	43.2
57.03424	8.5
57.07077	3.1
59.04980	2.7
59.72796	2.0
65.03935	3.6
66.99501	1.9
67.05499	97.5
67.16207	1.9
69.03410	3.4
69.07060	25.9
69.31000	13.4
69.31423	4.6
71.04984	8.7
75.51838	1.9
76.83509	2.0
79.05489	56.0
81.03414	23.9
81.07050	100.0
83.04967	15.0
83.08616	24.1
85.02910	7.4
85.06517	2.7
91.05470	50.8
93.06474	4.3
93.07031	55.4
95.04959	14.9
95.08598	71.1
97.06522	13.0
97.10164	19.1
99.08070	4.7
103.05480	2.2
105.07016	49.9
107.04956	5.7
107.08580	38.2
109.06516	7.8
109.10152	38.9
111.04411	6.1
111.08076	10.5
115.05420	2.9
117.07001	18.0
119.08562	39.6
121.10146	24.2
123.08085	4.7
123.11672	13.8
125.09620	15.5
129.07001	16.5
131.08571	34.3
133.06511	3.2
133.10115	31.9
135.08041	5.3
135.11687	20.7
137.09517	3.0
137.13202	3.1
139.11163	2.2
142.07780	3.6
143.08578	13.0
145.10104	30.6
147.08038	2.9
147.11687	21.2
149.09610	6.6
149.13199	10.1
150.43068	2.1
151.11122	3.5
152.83684	2.0
153.12692	3.2
155.08566	5.5
156.50981	2.1
157.10118	17.3
159.11699	19.7
161.09610	2.7
161.13232	11.2
163.11200	7.3
163.14813	2.2
165.12762	2.1
169.10103	9.1
171.11691	7.2
173.09673	2.5
173.13205	16.1
175.11192	6.5
175.14781	4.0
177.12817	3.5
179.14294	2.6
181.12216	5.9
183.11679	5.9
185.13260	8.1
187.13321	2.6
187.14861	7.8
189.11142	9.4
189.16267	2.1
191.10573	2.4
193.12216	22.9
195.11794	2.7
197.13370	3.9
199.14868	5.2
201.16367	2.6
209.13300	2.6
211.13222	30.7
211.14969	3.1
212.74219	1.9
217.97755	1.9
227.12811	7.7
229.14337	7.6
243.15614	2.1
247.17094	2.8
261.19730	2.1
261.22116	12.6
263.20126	2.5
267.15906	3.6
275.19858	2.1
277.21472	2.5
279.23196	4.6
283.15475	4.6
285.17026	12.4
285.22153	8.7
299.23685	4.5
301.25159	5.9
303.23019	10.0
317.24738	4.1
323.23538	2.1
327.23294	2.4
335.25812	17.4
359.25800	4.6
377.26834	2.5
417.31650	4.6
435.32257	10.7
453.33517	15.4
471.34860	13.3
473.32678	6.5
489.35562	2.6
509.36182	2.8
527.37341	37.1
545.38367	87.4
563.39435	34.6
571.06525	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42664	2.3
53.03951	5.7
55.01860	9.0
55.05507	40.6
55.51213	2.2
57.03426	11.4
57.07061	7.5
63.02404	2.5
65.03939	4.8
66.91610	2.2
67.05500	93.7
67.06458	2.3
69.03421	5.1
69.07067	33.3
71.04990	6.6
71.52970	4.1
79.05064	4.2
79.05492	58.3
81.03418	27.2
81.07050	100.0
81.07525	5.3
82.19861	2.6
83.04975	17.8
83.08614	24.6
85.02895	7.1
85.06525	4.9
86.84837	2.3
91.05479	52.3
93.07034	61.8
95.04953	15.7
95.08600	69.2
97.06503	13.0
97.10170	19.2
99.08114	5.8
105.07024	45.0
107.04964	5.3
107.07890	3.6
107.08592	44.5
109.06506	5.9
109.10150	42.9
111.04453	8.9
111.08066	8.7
117.07008	19.5
119.08583	43.9
121.06536	3.8
121.10143	29.0
123.08035	5.6
123.11724	13.4
125.09631	16.3
127.07599	2.7
129.06975	14.2
131.08562	29.8
133.10138	30.2
135.08023	4.8
135.11681	20.0
137.09612	3.4
141.06966	4.5
141.12857	2.6
143.08517	10.3
145.10120	27.7
147.08076	4.1
147.11668	26.3
149.09613	8.2
149.13246	13.0
151.07428	3.4
153.12790	3.2
155.08549	8.0
157.10104	17.0
159.11671	19.7
161.09680	2.7
161.13239	9.7
163.11134	4.7
163.14798	4.6
165.12788	4.7
169.10112	7.6
171.11658	10.4
173.09628	3.6
173.13194	15.2
175.11162	7.0
175.14861	7.7
176.57927	2.6
177.12787	2.5
181.10110	4.2
181.12210	5.5
183.11639	7.4
185.13266	7.8
187.14787	8.5
189.11208	9.8
191.10678	3.1
193.12222	15.1
195.11694	3.9
197.13342	5.1
199.14914	5.1
201.16380	4.1
209.13365	3.9
209.15312	2.6
211.13286	22.5
211.15015	4.2
225.16396	3.3
227.12764	7.3
229.14267	6.4
239.82440	2.3
259.92603	2.5
261.22147	10.4
265.49384	3.5
267.21017	3.4
275.20074	3.0
277.21558	2.7
279.22968	3.3
285.16928	10.8
285.22125	6.4
299.23810	3.0
303.23123	7.5
308.20020	2.7
317.24915	3.7
335.25754	7.4
359.25934	2.9
435.32593	8.9
453.33493	10.5
471.34854	15.3
473.32230	3.9
487.34192	3.3
489.35776	3.9
509.36118	4.7
527.37354	31.5
545.38312	76.3
563.39551	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41146	2.3
53.03938	4.0
55.01855	10.7
55.05508	38.1
57.03435	13.8
57.07051	6.5
63.76976	2.3
65.03923	3.8
67.05503	100.0
69.03412	5.0
69.07065	26.1
71.04993	6.1
71.52370	4.2
71.52748	2.6
74.15034	2.4
78.14607	2.2
79.05488	58.6
81.03419	19.0
81.07049	97.1
83.04980	13.3
83.08615	25.5
85.02882	6.3
85.06525	8.0
91.05475	54.9
93.07034	66.2
95.04977	15.8
95.08599	70.3
97.06519	12.4
97.10144	20.8
99.08067	6.3
105.07018	49.1
107.04948	8.4
107.08586	40.5
109.06460	4.0
109.10148	42.1
111.04440	8.3
111.08069	5.8
115.05421	2.7
115.22620	2.5
116.30062	2.4
117.07008	16.4
119.08560	40.7
121.06454	7.1
121.09476	2.3
121.10154	29.1
123.08050	3.9
123.11707	14.5
125.09607	16.6
128.06200	2.6
129.06990	13.2
131.08572	29.7
133.10118	29.3
135.11662	23.5
137.09641	5.0
139.11119	3.0
142.07828	3.1
143.08549	9.4
145.10110	31.8
147.08022	3.6
147.11684	24.7
149.09616	7.3
149.13264	9.9
151.07526	3.5
151.11157	3.8
153.12659	4.8
154.07661	2.7
155.08568	5.5
157.10150	13.2
159.11659	17.6
161.09637	3.2
161.13242	11.9
163.11174	8.4
165.09102	3.5
165.12741	4.9
169.10100	9.6
171.11687	9.7
173.11905	3.1
173.13199	14.6
175.11148	6.2
181.10307	2.4
181.12177	6.3
183.11679	4.9
185.13219	7.4
187.13318	3.0
187.14821	7.2
189.11201	6.5
193.12230	18.7
195.11646	4.2
197.13335	6.2
199.14900	5.6
211.13240	23.4
211.15018	4.2
213.12817	2.7
227.12732	10.2
229.14241	4.3
261.22253	12.7
267.16010	3.7
277.21387	3.4
283.18796	2.9
285.16934	8.1
285.21951	6.8
303.23105	11.4
335.25867	14.8
359.25751	5.2
402.30234	3.0
417.31540	3.4
433.29745	3.4
435.32336	8.8
453.33719	14.6
471.34525	9.3
473.32605	5.6
487.34073	3.9
489.35651	3.6
509.35965	5.0
527.37347	39.9
545.38354	94.3
563.39398	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	564.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	7.5
55.01863	6.6
55.05502	28.3
57.03430	21.1
57.07081	5.8
61.02919	14.2
67.05499	80.1
69.03407	10.7
69.06735	6.0
69.07059	36.7
71.05004	7.2
71.09869	4.5
71.53453	7.7
73.02900	5.9
79.05486	79.9
81.03407	15.3
81.06594	6.3
81.07050	89.6
83.04977	16.9
83.08592	15.2
85.02901	25.6
85.06558	7.3
91.03941	8.0
91.05468	87.1
93.07025	100.0
95.04958	15.8
95.08589	55.3
97.02876	16.4
97.06517	22.2
99.08066	5.6
103.05496	6.1
105.07013	60.2
107.04933	8.0
107.08596	40.2
109.02876	5.0
109.06499	6.9
109.10154	20.5
117.07020	21.4
119.08568	43.3
121.06499	10.6
121.10150	35.0
123.08065	9.6
127.03876	8.0
129.06982	7.6
129.83479	4.9
131.08543	23.3
133.10094	48.4
135.11650	31.1
141.32846	5.0
143.08575	9.7
145.10143	16.6
147.04382	6.5
147.07986	6.8
147.11693	30.2
149.09576	12.5
149.13239	40.2
151.07527	10.7
157.10168	11.3
159.11673	33.4
161.13239	16.2
163.11160	10.6
163.14838	6.2
171.11626	11.9
173.13194	11.4
175.14832	8.3
177.12770	9.0
185.13243	12.4
195.13721	10.7
199.14902	6.6
241.19424	18.0
257.18997	6.5
259.20569	46.8
269.17441	65.7
270.42014	5.4
275.19968	11.2
277.21567	8.8
333.24268	10.9
349.23883	8.5
351.25229	69.6
388.73175	5.7
392.52982	6.3
550.48657	6.1
564.28125	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	565.1181
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03939	1.7
53.92530	0.2
55.01855	2.0
57.03413	1.1
61.02898	1.2
62.36394	0.2
68.99779	0.7
69.03417	6.7
71.01332	0.4
71.04961	1.1
71.52893	0.5
73.02894	1.5
79.05469	0.4
81.02407	0.3
81.03407	8.2
83.04955	0.3
85.02890	10.1
86.05132	0.3
87.00812	5.1
91.03932	0.5
91.05459	0.5
92.02591	0.6
93.03381	1.0
95.08555	0.3
97.02882	4.4
99.04449	2.7
105.01847	3.0
105.07027	0.3
107.04924	0.6
107.08577	0.4
109.02126	0.4
109.02861	6.8
110.05846	0.3
110.69598	0.2
111.04488	0.3
112.84031	0.2
117.01830	1.1
119.04900	0.6
121.02847	0.8
121.10075	0.5
123.04394	0.4
127.03898	8.9
129.01833	0.9
137.02356	0.3
137.05920	1.2
139.03870	1.2
143.08577	0.3
143.12997	0.3
145.04926	2.7
147.03130	0.4
147.04405	3.0
151.03909	1.0
153.01813	5.4
159.02863	4.3
161.98471	0.3
163.03822	0.3
165.01802	0.5
167.06987	1.0
175.03932	0.5
175.07536	0.3
177.05464	0.8
177.09155	0.7
181.05000	0.5
201.05501	0.7
203.03331	0.3
207.06508	0.3
213.03877	0.4
217.04936	0.6
218.05659	0.3
228.04126	1.1
229.04933	2.7
231.02869	0.4
231.05009	1.1
245.04433	1.3
246.05251	1.5
257.04306	2.2
260.02969	0.3
261.07489	0.4
273.03790	1.5
274.04660	3.5
284.03146	0.5
285.03876	3.7
286.04443	0.4
287.05496	0.3
302.04138	11.5
303.04794	0.5
317.06512	100.0
318.06937	2.0
359.07190	0.3
387.14365	0.4
537.20520	0.3
565.22009	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05466	1.3
70.70685	3.9
79.05471	3.1
81.07031	1.5
91.05482	6.7
93.07026	1.2
93.89451	1.0
95.04980	2.1
103.05436	2.6
105.07022	8.6
107.04950	3.0
108.05690	1.1
109.06567	1.6
115.05489	2.1
117.07025	3.5
118.79465	1.0
119.04906	2.0
121.06482	10.5
122.62490	1.0
131.04910	3.0
132.05699	1.3
133.06503	2.4
134.07246	2.7
135.04428	1.8
135.08037	17.0
135.11563	1.3
136.05202	1.8
137.05977	7.8
138.06715	2.4
139.07518	5.1
145.06459	2.7
146.07237	9.7
146.08305	1.4
147.04404	1.4
149.06010	3.0
149.09634	2.3
150.06760	3.0
151.07529	20.7
153.09113	1.3
159.08038	5.6
160.05118	1.2
161.05951	1.3
162.06749	4.9
163.07518	17.7
165.05475	4.1
165.09068	10.0
167.07016	8.6
173.06039	1.3
173.09563	1.1
174.06795	5.0
175.07506	4.7
177.09082	14.8
179.10626	4.9
180.07809	1.3
181.06413	1.6
182.07260	2.1
183.08012	2.1
187.07472	5.9
188.08305	4.8
189.09088	16.0
193.08546	3.3
195.10144	23.3
197.09535	1.3
199.07515	3.0
202.09903	3.0
205.08548	5.2
205.23726	1.1
208.08870	1.5
209.05879	1.3
210.06635	1.8
211.07547	10.3
213.09122	2.0
215.07001	8.5
218.07172	1.3
223.11174	2.1
224.08324	2.4
225.09048	4.8
226.09859	9.5
227.07063	8.9
227.10521	1.8
229.53545	1.1
233.07826	1.4
239.07083	2.4
239.10683	3.6
240.07808	3.2
241.08531	3.5
242.09358	7.7
249.08974	2.5
250.09843	1.9
251.10635	4.8
253.08495	4.5
254.09377	15.5
255.06474	7.9
255.10091	2.7
256.07217	1.5
257.11743	9.0
261.08984	1.7
263.10577	2.1
265.12238	4.9
266.12997	2.3
267.10095	6.4
268.10947	1.7
270.08862	10.8
277.08478	1.5
278.09354	2.4
279.10123	10.6
281.11639	2.5
282.12473	6.6
283.12808	1.2
285.11176	36.8
286.11633	1.2
293.08630	1.1
293.11572	6.2
294.12430	9.0
295.09839	5.8
297.14529	2.4
307.13263	1.5
309.11111	3.5
310.11868	6.8
311.12582	1.3
313.10666	100.0
314.11020	2.2
325.14288	89.1
326.14615	2.2
337.14423	3.0
353.13797	61.8
354.14145	1.6
366.46381	1.3
371.14676	6.9
409.16516	1.7
416.44907	1.4
512.58466	1.2
529.21808	2.6
565.23834	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	565.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	3.9
53.03929	9.0
53.38327	2.5
55.01857	8.2
55.05499	11.2
57.07058	3.4
62.76256	3.7
63.55559	3.1
65.03956	5.6
67.05509	19.4
69.03430	12.5
69.07052	19.4
71.53261	4.9
78.04690	4.5
79.05491	14.3
81.03409	21.6
81.07046	42.7
83.04972	4.7
83.08624	7.0
85.02893	10.8
89.03932	5.9
91.05475	36.2
93.03421	3.2
93.07034	33.6
94.04173	3.4
95.04974	17.1
95.08591	33.7
97.02898	5.4
97.06545	10.0
97.10156	11.5
99.04466	3.0
103.05457	19.6
105.07014	28.9
106.04153	4.8
107.04940	21.5
107.08578	27.7
109.02897	14.4
109.06512	8.8
109.10155	21.6
111.04420	7.4
111.11699	4.2
115.05447	13.0
117.07006	11.2
119.04884	14.9
119.08546	17.9
119.26378	2.8
121.06525	10.8
121.10138	24.9
122.03622	8.2
123.04437	17.1
123.11707	15.7
124.05210	4.7
124.95359	3.1
125.05988	4.3
125.09620	3.7
127.03902	10.3
131.04929	16.9
131.08545	10.5
133.02850	27.9
133.06502	11.9
133.10086	14.6
135.04440	8.4
135.08029	4.6
135.11644	13.9
137.05968	69.0
137.13260	4.6
143.04974	3.4
143.08571	6.0
144.05597	3.4
145.02832	3.6
145.06483	15.1
145.10132	9.4
147.04408	19.7
147.08017	5.3
147.11667	12.2
149.05954	17.4
149.09543	4.5
149.13220	19.1
151.03850	17.0
151.07510	26.9
151.11192	4.4
152.04625	3.6
153.05435	5.4
157.06387	4.7
159.11691	6.9
160.05124	4.6
161.05968	20.0
161.13225	7.6
163.03902	7.3
163.07556	9.7
165.05457	11.8
165.12747	3.9
167.07028	100.0
167.08429	6.2
169.06526	3.7
171.11690	3.3
173.06001	15.6
173.13280	4.8
175.03891	6.5
175.07550	13.6
175.14847	3.4
177.05472	18.1
177.09024	3.7
179.07054	7.0
181.04953	50.7
181.06496	4.5
187.07622	4.0
189.09035	4.2
189.16386	3.5
190.06145	3.3
191.06993	15.3
193.04784	2.9
193.08583	5.6
195.08110	5.5
197.05977	3.2
199.07542	4.0
201.05409	3.6
203.06934	6.9
205.08589	9.0
207.06528	12.0
209.07938	3.5
223.07510	9.6
225.09152	5.1
227.06985	4.8
233.08127	10.2
235.07616	4.3
235.09628	18.0
237.09071	3.3
240.07689	6.7
241.08549	9.2
249.05324	4.3
253.08607	5.0
255.10132	9.6
256.11108	3.6
265.08606	6.1
267.10263	3.5
277.08469	3.7
277.25119	3.9
281.08142	3.4
287.12796	8.2
287.23535	7.1
295.09799	4.2
297.11371	5.3
299.09085	5.5
301.10733	4.1
305.24741	15.0
307.09756	3.4
311.09076	4.6
313.10696	16.1
315.12320	7.1
323.08902	5.5
329.10303	10.3
337.10739	6.7
339.12271	10.2
353.10013	4.4
353.13818	4.3
355.11633	6.0
356.12543	5.1
381.13272	5.5
385.12805	7.7
413.26813	5.3
431.27826	6.4
449.28903	13.5
467.29807	6.9
510.83609	3.3
535.19714	15.3
547.19562	4.7
565.20618	59.8
566.20862	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	565.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.6
55.05497	12.4
57.07069	8.4
67.05498	24.4
69.03415	4.0
69.07062	17.0
70.18978	12.3
71.02859	3.5
76.25370	3.0
79.05479	19.0
81.03385	6.4
81.07047	35.9
83.04974	4.4
83.08593	9.5
86.03672	3.2
91.05486	24.6
93.07032	38.5
95.04964	10.7
95.08589	31.7
97.06510	5.2
105.07024	56.4
107.08588	28.0
109.02832	7.8
109.06490	5.6
109.10141	19.9
111.04397	3.6
111.08077	4.4
117.07004	13.0
119.08564	49.1
121.10138	45.9
123.08035	7.8
123.11694	10.6
125.05933	3.4
127.40620	2.9
128.06195	5.0
129.07001	8.0
131.08554	25.7
133.10112	41.5
135.11682	15.1
137.09579	4.1
139.57132	3.5
141.06946	6.8
142.07745	14.2
143.08578	22.1
144.09319	5.2
145.10104	38.8
147.08040	7.9
147.11633	10.8
149.09616	8.4
155.08536	11.6
156.09348	15.2
157.10133	36.7
158.10875	5.3
159.07932	4.1
159.11644	13.3
161.09630	3.4
163.11137	5.8
165.06972	3.4
165.09103	14.6
167.08548	5.9
167.10689	13.7
169.10133	14.1
170.10825	7.7
171.11676	19.6
173.13287	13.6
173.25140	3.3
175.14813	8.1
179.08557	9.1
180.09322	6.5
181.10121	10.4
182.10864	7.8
183.11678	13.2
185.13239	12.3
187.14767	4.7
192.09355	4.2
193.10130	10.0
194.10910	9.3
195.11728	18.3
196.12480	4.3
197.13226	13.8
199.14830	17.6
201.16440	7.3
203.14270	5.5
207.11723	9.8
209.13269	16.8
211.14806	9.4
213.16289	4.0
219.11708	3.7
220.12582	4.7
221.13225	12.0
221.15346	16.7
223.14786	9.8
225.16377	4.1
232.12331	5.8
233.13214	6.3
233.15324	5.7
234.14024	4.7
237.16403	7.0
239.17882	6.7
245.13153	6.4
247.24092	3.8
249.16341	5.7
259.14667	5.1
261.16318	5.1
263.17953	5.7
265.19589	7.7
265.25171	4.9
271.14755	3.2
273.16287	3.7
275.18048	4.1
277.19449	5.3
285.16296	5.1
287.17767	5.6
309.16687	4.3
313.27298	4.7
343.24332	4.8
357.25848	3.8
473.34155	7.0
497.22098	3.4
547.39459	17.5
565.30988	5.6
565.40247	100.0
566.40753	4.8
580.91156	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	566.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45031	1.9
53.03934	3.3
55.05497	9.5
57.03431	46.9
67.05495	3.7
71.52483	3.5
78.71032	1.8
79.05486	4.1
83.08629	4.6
91.05457	5.8
93.07021	6.9
94.89831	2.6
95.04930	2.5
100.68263	2.0
105.07008	2.8
107.04935	2.5
111.08059	33.8
120.58508	2.0
121.06435	2.5
122.03641	3.4
124.05198	6.6
135.04462	1.9
136.05220	4.1
138.06706	4.5
139.07559	4.0
144.48735	2.0
147.08018	3.2
151.07547	28.1
155.06976	2.7
159.08040	2.5
165.05461	100.0
165.09076	15.5
173.09528	2.1
174.06757	3.7
177.09064	3.1
178.09877	6.8
179.10645	17.4
181.09874	2.0
185.09583	3.9
187.07466	5.9
188.08214	2.3
189.09067	8.1
191.10571	2.2
193.12173	8.4
200.11957	7.6
201.09099	4.5
202.09875	15.8
203.10628	8.6
205.08574	3.1
207.10144	16.0
216.11458	8.0
231.13762	69.2
241.12321	2.3
249.14835	96.3
250.15089	2.5
255.09970	2.4
270.12299	4.3
271.86862	1.9
301.14331	26.1
327.16080	2.1
392.40652	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	566.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.5
53.03928	1.4
55.05509	6.8
57.03153	2.6
57.03430	43.1
64.40171	1.2
67.05524	2.8
69.03437	1.6
69.94878	3.2
69.95288	4.1
79.05486	3.4
81.07056	3.2
83.04990	1.6
83.08604	4.7
91.05465	5.5
93.07037	6.8
95.04967	2.4
97.86006	1.1
98.21471	1.4
105.06997	3.2
107.04897	2.8
109.06506	2.2
111.08074	29.0
119.08543	2.4
121.06480	3.3
121.10083	1.7
122.03570	1.5
124.05207	5.0
131.08565	2.1
136.05197	3.1
137.06004	1.8
138.06789	5.8
139.07500	4.9
147.08002	2.0
150.06691	2.4
151.07523	23.9
155.07051	2.8
155.08344	1.4
157.10080	2.1
159.08028	2.4
161.05992	2.2
163.07539	2.6
164.08366	3.6
165.05458	93.9
165.09088	12.8
172.08817	1.7
174.06772	2.4
175.07495	1.7
176.08292	3.2
177.09035	2.0
178.09903	6.6
179.10641	22.0
185.09578	2.7
187.07558	4.6
188.08333	3.0
189.09100	5.0
190.09865	1.5
191.07089	1.5
191.10641	2.7
193.12245	5.4
200.12000	5.8
201.09105	4.3
202.09843	15.1
203.10634	6.4
205.12276	1.7
207.10118	12.7
209.09544	1.6
216.11485	6.4
231.13780	66.9
233.11778	1.7
241.12346	1.8
249.14835	100.0
255.10136	4.2
269.11765	2.0
270.12497	3.3
301.14334	26.0
352.55038	1.6
371.18521	6.3
514.42615	1.2
566.40234	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	567.1338
Annotation	Quercetin 3-xylosyl-(1->2)-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
53.04650	1.0
55.01862	2.2
57.03427	7.4
57.61820	1.0
59.05008	1.1
61.02923	1.5
62.75151	1.0
69.03425	22.0
69.51276	6.3
71.01347	0.9
73.02904	4.4
75.73058	1.0
81.03400	1.2
85.02899	10.4
87.04463	9.8
93.07047	1.2
97.02872	16.4
98.20821	2.3
99.04448	4.3
101.02402	1.3
111.00847	1.5
115.03902	10.6
121.02840	1.9
123.04400	2.1
127.03817	1.3
133.04948	9.8
137.02339	10.6
137.05975	2.0
147.04391	1.8
151.03922	2.6
153.01825	3.6
154.40053	1.1
157.04961	3.1
163.03952	1.7
165.01813	3.4
165.05551	1.3
187.03835	1.0
189.01837	1.4
193.05022	1.4
201.05437	1.4
211.05937	1.2
219.10129	2.8
220.10547	2.6
229.04906	3.9
229.06989	1.9
247.08089	1.6
257.04498	2.8
283.05856	1.1
285.03833	1.6
302.04077	1.4
303.04956	100.0
304.05020	1.6
315.04987	18.3
316.05682	2.2
327.05011	5.7
328.35446	1.1
329.06500	3.4
339.04849	1.5
341.06564	3.0
345.06027	14.9
353.06491	3.6
357.06195	1.6
369.06024	12.0
381.05917	4.8
399.07150	15.0
417.08121	5.9
435.09207	23.9
435.15469	1.2
436.09329	1.2
591.71686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07888	1.6
52.35752	1.4
53.03937	2.2
55.01875	2.2
57.03429	2.2
60.71778	1.9
61.02907	1.7
65.03930	3.9
68.53513	1.5
69.03414	5.5
71.52880	1.9
73.02898	10.5
73.21884	1.5
79.05475	7.9
79.68215	1.4
81.03407	1.9
81.07047	4.5
85.02889	3.8
85.61082	1.5
89.03918	2.5
91.05476	11.7
93.07034	3.2
95.04958	3.8
95.08585	2.1
97.02858	1.9
105.07041	4.7
107.04932	14.5
107.08620	2.3
110.03660	1.7
111.15450	1.5
115.05426	4.2
117.03386	4.6
117.07017	6.5
119.04931	10.6
119.08560	2.0
121.06494	4.3
121.10100	2.6
123.04366	2.0
124.05186	3.5
125.05949	3.4
127.03914	4.7
128.06209	2.5
129.06976	5.1
131.04881	3.2
131.08549	2.3
133.06523	2.3
137.05946	26.2
144.05690	3.2
145.02858	7.5
145.06413	7.7
147.04416	10.2
147.11705	1.9
149.05968	3.4
151.03879	2.5
151.07526	3.5
157.06476	5.3
159.08066	3.5
161.05997	4.4
163.03853	3.5
165.05511	1.8
167.07016	40.3
171.13808	2.1
172.05200	14.8
173.05991	6.6
174.06744	3.4
175.03922	14.8
175.07513	5.1
177.05464	22.1
177.09061	3.1
181.04932	38.0
187.07507	11.2
189.05508	3.0
189.09055	5.2
191.07011	2.3
193.08670	2.4
195.06612	2.3
200.04643	6.6
201.05435	5.5
202.06024	1.4
203.06918	2.0
203.08582	3.4
205.08589	4.5
207.06447	19.0
207.08054	2.2
209.08095	1.9
217.08591	9.0
217.10419	1.6
218.05630	10.5
219.08133	3.4
219.10103	3.2
221.08040	5.2
231.08034	4.0
233.08046	100.0
235.07454	2.0
235.09576	2.4
236.08310	1.8
245.08015	2.9
247.07431	3.4
248.08302	5.5
251.08998	2.2
261.09045	3.5
262.09552	1.8
263.09036	28.5
264.07861	1.7
275.63644	1.8
275.99417	1.7
276.07761	3.2
277.08719	2.9
279.10205	5.3
291.10156	8.9
295.09714	2.2
296.10400	2.4
307.09451	3.4
309.07181	1.9
311.12775	7.8
321.11075	2.1
323.12766	7.5
339.12012	2.2
341.13797	4.4
355.11722	1.6
367.11789	4.4
384.11740	2.1
387.14270	6.8
399.14380	4.0
417.15387	49.0
427.62625	1.8
471.42224	1.7
549.21002	4.5
567.23676	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	567.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48031	1.4
57.03424	5.3
61.02907	1.6
65.03923	2.9
67.05498	1.9
69.03421	5.9
71.52483	1.6
73.02911	8.5
79.05472	6.9
81.03373	1.8
81.07053	3.9
85.02897	4.6
87.04369	1.4
89.03909	2.3
91.05477	14.4
93.07050	2.9
95.04952	3.7
95.08584	1.7
96.36820	1.7
97.02861	3.1
103.05489	2.1
105.07008	3.7
107.04960	13.5
109.02852	2.3
110.03625	1.9
111.04488	2.0
114.51974	1.5
115.03851	1.5
115.05432	3.7
117.03368	4.6
117.07029	3.1
119.04227	1.7
119.04931	10.3
119.08583	3.1
121.02817	2.4
121.06477	2.8
121.10109	3.4
122.03631	3.5
123.04387	5.2
124.05170	3.8
125.05989	2.7
127.03883	4.0
128.06197	2.5
129.06961	5.4
131.04890	3.2
131.08542	2.8
133.06429	3.4
135.04366	2.2
137.05957	27.9
141.06982	2.8
144.05679	2.9
145.02852	8.8
145.06448	6.4
147.04395	10.1
147.08025	2.4
148.04762	2.8
149.05966	3.2
153.05502	3.6
155.05974	2.4
157.06470	2.5
159.07999	4.9
161.05937	5.1
163.07462	2.5
165.05458	2.4
167.07016	41.0
172.05180	13.1
173.05994	4.4
174.06830	3.7
175.03923	16.2
175.07550	4.2
177.05453	20.7
177.09036	2.8
178.05714	2.6
181.04956	39.2
187.07469	12.6
189.05434	3.4
189.09093	5.2
191.06995	2.2
193.08627	1.7
195.06485	2.2
200.04683	7.6
201.05548	2.3
203.08574	3.6
205.08600	4.1
207.06503	28.5
217.08563	8.9
218.05731	12.9
219.06233	1.9
219.08159	2.6
219.09969	3.2
221.07964	2.6
231.08084	3.8
233.08049	100.0
236.08208	2.1
246.06599	2.4
247.07510	4.1
248.08232	6.0
259.07495	2.5
261.08887	2.4
263.06668	2.8
263.09052	29.1
265.08545	2.8
276.07706	4.7
277.08636	4.0
279.09988	4.1
291.10065	11.2
293.08011	2.2
296.10544	3.7
306.08804	1.6
307.26538	1.5
311.12595	6.1
321.11227	2.3
323.12802	10.2
331.07614	1.7
339.12201	4.5
341.13815	5.1
367.11804	2.9
381.13113	2.0
387.14279	6.0
399.14325	5.3
417.15387	54.2
418.15051	1.7
549.21173	8.3
567.22357	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	567.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64133	1.8
53.03954	2.5
57.03419	3.5
58.07924	1.5
67.05499	2.3
69.03419	2.2
69.53331	1.7
70.00410	3.5
70.00824	4.8
78.04686	2.3
79.05470	7.6
81.03416	24.9
81.07034	3.5
85.02898	2.4
91.05453	5.6
93.07003	3.6
95.04964	5.8
95.08633	2.7
98.97646	1.7
100.11249	2.1
103.05471	3.3
105.07025	6.5
107.04958	18.5
108.54869	1.6
115.05466	8.3
116.06217	1.6
116.58215	1.8
117.07028	10.7
119.04907	2.9
121.06487	2.9
123.04389	9.6
124.05193	4.3
125.06030	2.5
128.06233	2.5
129.06984	5.3
131.04968	3.7
131.08560	5.3
133.02858	2.1
133.06511	5.1
135.04523	1.7
137.05946	11.0
141.06963	3.7
143.04932	2.4
144.05704	4.5
145.06470	27.3
146.61021	1.6
147.04434	4.1
147.08008	1.9
151.03920	2.9
151.07603	2.5
152.04694	3.3
153.05493	3.6
155.05995	3.1
155.07126	2.1
156.05614	7.7
157.06499	3.4
158.07272	2.0
159.08052	8.8
160.05264	3.2
161.05991	5.6
163.03897	2.8
165.05464	3.5
167.07034	100.0
172.05191	2.6
173.05977	31.4
175.07579	3.6
177.05484	8.1
179.07068	2.6
181.04996	5.4
181.08632	2.6
184.05289	1.6
187.07521	11.9
187.70229	1.6
189.05438	2.4
190.06216	21.5
190.07791	2.1
191.06992	11.1
191.08504	2.0
193.08618	5.6
195.06560	1.7
199.07506	2.6
201.05496	1.8
202.06276	4.7
203.07051	5.4
204.07721	1.4
205.06688	1.3
205.08588	31.3
207.06488	7.0
207.10181	2.8
208.05122	3.2
209.08093	5.8
217.08575	23.9
219.08212	3.0
219.10199	7.4
220.07214	9.6
234.06703	2.4
235.09653	10.7
236.04643	1.8
238.06256	1.7
241.08498	3.3
241.10669	7.3
247.07375	1.8
247.09628	26.3
248.08347	5.1
249.05458	1.8
249.09081	2.5
255.06567	2.1
261.08926	1.9
263.07089	2.6
263.10547	3.0
264.07782	2.7
265.08365	1.9
265.10864	2.2
269.08090	6.3
271.06174	2.0
271.09592	3.4
275.06924	2.7
276.07861	3.1
279.09738	2.2
279.12503	9.9
282.08945	3.3
285.07657	2.2
291.09583	3.4
291.12665	9.5
293.07986	3.3
295.09634	2.3
299.09332	2.2
307.09558	3.6
308.10339	4.2
309.07648	2.4
310.08490	2.2
315.08612	22.0
319.09488	2.6
321.13531	1.8
323.09271	2.0
323.12744	5.3
325.10562	1.6
329.10233	8.1
330.10892	17.3
331.11969	1.9
335.09073	2.2
336.10178	1.9
337.10779	3.8
339.12042	2.4
339.14709	2.1
343.11734	4.5
351.12250	9.6
352.12997	1.8
356.12656	2.0
367.11774	2.2
368.12625	3.6
369.13535	2.2
371.14923	6.4
373.12927	4.4
382.14172	1.7
383.14896	13.3
400.15073	1.9
401.16031	4.6
404.14658	16.3
405.15140	2.7
417.15393	2.6
425.16132	3.5
445.18582	2.8
457.18692	12.0
475.19946	9.3
478.18362	18.7
491.19504	2.5
531.22003	6.7
549.22754	8.2
567.23065	1.9
567.42468	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	567.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01867	2.4
59.05001	1.0
65.03937	2.7
67.05488	5.9
69.03406	0.9
70.06585	1.2
70.28564	0.9
71.52964	1.4
75.08141	1.0
79.05488	7.0
81.03418	2.4
81.07040	3.5
83.04985	1.4
88.66936	0.9
91.05473	18.1
93.07043	3.7
95.04952	3.8
98.06708	1.0
103.05476	4.5
105.07021	11.0
107.04945	20.4
107.08611	1.6
108.05748	1.4
109.06506	2.2
109.10147	2.6
115.05449	1.1
117.07007	1.7
118.04131	2.1
119.04911	7.1
119.08556	1.2
120.05740	1.6
121.06487	6.8
122.03659	1.3
123.08066	2.4
131.04929	2.8
133.06471	6.2
134.07283	4.7
135.04399	4.0
135.08069	7.0
136.05168	1.6
137.05981	8.1
138.06769	6.2
139.07542	1.3
142.23621	0.9
147.04396	3.3
149.05971	2.6
150.06749	20.0
151.07535	38.6
161.05956	1.5
162.06729	7.4
163.07529	29.2
163.08781	1.9
164.08400	0.9
165.05490	14.5
165.09096	100.0
173.11670	1.3
173.13205	0.9
175.17012	0.9
177.09079	4.7
178.09863	1.5
179.07011	3.7
179.08563	1.6
179.10660	2.7
181.06468	1.5
183.07918	1.5
189.09157	1.5
193.08582	34.2
193.10297	1.9
194.09367	19.7
195.07982	1.8
196.08881	1.4
201.09195	1.2
209.05952	1.2
210.06827	1.7
211.07596	4.0
225.08974	2.4
226.09869	2.3
242.09448	1.2
253.08609	1.8
254.09302	1.9
255.10132	2.9
257.23999	1.0
269.11707	2.0
271.09787	1.3
281.11710	1.6
285.11188	19.3
286.11978	3.4
297.11203	4.9
298.11868	1.5
309.11099	1.8
313.14304	3.8
373.13907	1.5
401.19818	1.5
549.42590	1.5
567.31250	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	567.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.7
55.01865	41.0
55.05502	10.2
65.03938	4.9
67.05494	13.5
69.03416	14.3
69.07056	11.4
71.52694	5.9
78.04703	5.4
79.05492	17.5
81.03415	12.1
81.07056	35.4
83.04984	6.5
83.08569	5.3
85.02882	11.1
91.05467	30.5
93.07039	20.3
94.04173	4.1
95.04926	17.5
95.08575	22.2
97.02882	8.2
97.06570	4.2
97.10138	4.4
99.04417	4.8
103.05422	13.8
105.07021	21.0
107.04950	25.6
107.08562	19.6
109.02902	6.3
109.06487	4.3
109.10158	12.3
110.03619	4.6
111.04433	6.7
115.05469	8.0
117.03392	7.1
117.07012	6.7
119.04934	8.5
119.08569	11.9
121.02858	3.8
121.06495	13.8
121.10139	12.6
122.03646	10.0
123.04448	9.1
123.11676	10.4
127.03905	12.0
128.06215	5.5
129.07040	6.4
131.04913	15.4
131.08559	4.0
133.02864	8.6
133.06477	7.5
133.10109	4.3
135.04430	6.6
135.08011	7.8
135.11708	8.6
137.05972	100.0
138.06303	4.9
145.02856	6.4
145.06494	10.2
145.10214	4.1
147.04362	13.4
147.07916	4.4
147.11732	5.2
149.06024	18.9
149.09637	6.4
149.13246	8.1
151.03900	13.6
151.07535	19.8
153.05447	7.7
157.06519	4.9
159.08110	4.0
159.11633	5.0
161.05948	14.5
161.13332	4.4
163.03929	5.1
163.07515	14.5
165.05478	8.0
165.09125	4.2
167.07040	61.5
168.07361	5.2
169.07614	5.3
171.06648	7.2
175.03862	5.5
175.07509	22.2
176.08058	5.2
177.05458	46.4
177.09109	8.4
179.07066	8.5
181.04950	72.7
183.06464	4.9
187.07489	7.7
189.09029	5.6
191.07037	14.4
191.08620	4.1
191.10687	3.7
192.07565	4.2
193.04907	5.6
195.08069	6.6
207.06459	11.6
209.08052	65.4
217.08557	5.8
219.08130	5.0
219.10197	5.7
241.08556	4.4
247.07494	5.4
253.08443	3.8
265.08609	5.6
277.08554	5.2
279.06662	5.5
279.10074	8.4
285.11362	5.1
291.10538	4.9
293.07852	4.6
297.11292	4.8
311.13071	7.7
323.12625	7.4
327.11896	4.8
339.12314	9.3
353.13882	6.0
371.14801	11.6
383.14844	8.8
433.29556	6.5
439.94293	3.8
508.30618	4.9
549.21149	5.7
567.21198	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.1
55.74974	0.1
57.03410	0.2
61.02910	0.1
66.25356	0.1
67.05476	0.1
69.03431	0.7
70.97314	0.3
79.05468	0.3
81.03419	0.3
81.07036	0.3
85.02425	0.2
85.02892	2.1
86.09663	0.1
87.04417	0.1
91.05461	0.4
97.02895	0.6
103.05422	0.2
105.07035	0.8
107.04939	0.8
107.82745	0.1
109.02857	0.3
115.05448	0.4
117.06952	0.2
119.08552	0.4
121.06485	0.2
127.03869	0.3
128.06204	2.3
128.60786	0.1
129.06999	0.3
131.04945	0.2
132.05653	0.2
133.06476	6.1
137.05936	0.2
142.07730	0.8
143.08536	10.0
144.09326	0.2
145.04903	0.3
145.06447	0.7
145.10130	0.8
146.03618	0.1
146.07259	0.8
147.04402	0.8
147.08020	1.0
147.11598	0.2
155.06035	0.1
157.10135	0.6
158.07166	0.1
159.04387	0.2
159.08022	0.2
160.08829	1.1
161.05960	2.0
167.07039	1.8
171.08029	9.1
172.08553	0.3
173.06000	0.3
173.09592	0.4
174.06805	0.6
174.10271	0.2
175.07532	0.5
175.11154	4.4
177.05438	0.2
178.06255	1.3
180.08673	0.3
181.05124	0.1
185.09534	0.3
187.07384	0.2
188.08304	0.8
189.09032	0.3
191.06943	0.6
192.07713	1.1
193.08583	1.8
202.09819	0.2
203.10640	15.8
204.11296	0.4
205.08612	0.5
206.09340	1.6
207.10085	0.2
220.10913	1.6
221.11627	0.2
235.13249	100.0
236.13554	1.8
397.18506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.3
51.02369	1.5
53.03937	2.3
55.05504	11.2
57.07074	5.3
65.03933	3.2
67.05495	15.6
69.03431	1.9
69.07058	12.5
70.06555	0.9
70.66003	2.7
71.04994	1.3
71.08623	0.9
77.03891	0.9
78.98267	0.8
79.05482	23.2
80.06264	2.4
81.07047	34.3
81.07523	2.2
83.04971	2.3
83.08605	5.6
84.60867	0.8
85.06537	2.6
91.05470	35.3
91.86874	0.9
92.06252	2.8
93.07033	49.5
93.07627	2.5
94.07829	1.1
95.04954	36.7
95.07981	1.6
95.08587	27.7
95.09170	1.9
97.06521	2.3
97.10168	1.2
97.76094	0.9
103.05461	3.2
105.07019	78.4
106.07809	4.4
107.08580	44.5
107.09174	1.1
108.09418	2.0
109.06496	5.1
109.10150	18.0
111.08100	2.0
115.05426	5.7
116.06245	2.1
117.07000	25.6
118.07800	1.9
119.08566	100.0
120.09389	8.6
121.06496	2.8
121.10135	32.7
123.08056	13.7
123.11684	5.6
125.09637	2.2
128.06192	10.4
129.07002	13.9
130.07809	8.2
131.08553	46.1
132.09363	11.7
133.10115	56.0
134.10951	5.9
135.08051	5.6
135.11681	18.6
137.09590	5.4
138.10345	6.4
139.11206	1.3
141.06923	4.6
142.07762	17.1
143.08540	39.5
144.09338	13.3
145.10103	81.2
146.10849	3.8
147.08044	2.9
147.11668	22.6
149.09627	3.8
149.13228	4.7
151.11183	2.6
151.14738	1.0
153.06973	2.1
154.07761	2.8
155.08531	14.7
156.09326	14.9
157.10109	46.5
158.10901	11.1
159.08008	1.9
159.11665	34.3
160.12418	3.4
161.09610	6.6
161.13242	8.3
163.11172	4.5
165.06989	3.9
166.07767	2.4
167.08542	8.4
168.09306	6.3
169.10103	29.3
170.10902	9.0
171.11670	35.9
172.12445	7.0
173.13246	28.1
173.36621	0.9
174.13864	1.3
175.11166	2.9
175.14806	17.9
176.15413	0.9
177.12701	5.6
179.08548	7.6
180.09303	4.1
181.10115	15.4
182.10880	9.4
183.11664	29.4
184.12415	4.7
185.09683	1.2
185.13225	24.1
186.13982	8.0
187.14798	12.3
189.12680	4.9
189.16484	1.3
191.14258	8.1
192.09369	2.4
192.15126	2.9
193.10100	6.7
194.10902	8.9
195.11662	17.4
196.12459	7.1
197.13225	25.7
198.14037	5.7
199.14804	9.8
200.15456	1.2
201.12729	3.8
201.16379	7.4
203.14326	2.2
205.09932	1.3
205.15875	2.3
206.10909	2.9
207.11664	10.2
208.12386	4.5
209.13223	24.3
210.14038	2.8
211.14812	17.9
212.15425	2.1
213.12785	1.4
213.16335	5.7
215.14328	2.4
217.15828	5.3
219.11714	2.6
220.12436	2.9
221.13278	8.9
222.14040	2.7
223.14789	13.4
224.15503	5.3
225.16385	7.1
226.17145	1.9
227.14354	2.2
227.17993	2.0
229.15794	1.3
230.16730	1.8
231.11510	1.3
233.13286	2.3
234.14113	1.7
235.14825	7.3
236.15547	1.2
237.16302	7.7
238.17050	1.2
239.17923	6.2
240.18707	1.3
241.15956	1.7
241.19391	2.0
243.17401	1.4
244.18190	1.4
245.13297	1.8
247.14848	3.6
248.15721	1.2
249.16325	4.7
250.17162	1.7
251.18013	3.0
253.19588	1.3
255.17439	1.9
257.18939	3.0
259.14752	0.9
261.16391	2.6
263.17871	4.4
265.19495	3.6
267.21057	1.6
269.18903	1.8
270.19846	1.8
271.20432	1.1
272.21280	1.4
273.16397	1.8
275.17883	1.7
277.19427	2.2
279.21045	2.3
281.18973	1.0
283.20447	3.5
285.22000	3.0
289.19498	1.8
291.20941	1.5
297.22269	2.7
301.19373	1.6
305.22638	3.5
311.29407	1.4
321.25882	1.1
323.23645	5.1
324.24426	2.0
335.23828	2.1
337.25235	1.6
338.25986	35.7
349.25391	2.0
351.26688	1.3
362.25839	1.6
415.29919	2.0
430.32263	12.8
476.36472	12.5
550.41534	2.0
568.42712	21.5
568.56281	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	570.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
69.41620	5.7
73.02898	1.2
85.64121	0.8
91.05442	2.0
105.06983	0.7
107.04972	1.2
111.47720	0.7
115.05447	0.8
117.07006	0.9
128.06190	1.6
129.07004	6.4
131.08551	5.9
133.06470	1.5
141.06987	1.8
143.08527	2.0
144.05679	2.6
145.06454	2.4
147.04436	1.0
147.07932	0.7
153.06953	0.8
157.06546	3.8
158.07262	1.3
159.08046	12.3
161.05960	0.7
161.09598	3.2
167.06978	0.8
169.07579	1.4
170.07269	2.0
171.07980	1.7
173.05988	1.2
173.09691	1.1
174.06659	0.8
175.07507	1.7
187.07512	7.9
189.05458	1.0
189.09096	4.9
190.78131	0.8
198.06720	0.7
199.07362	1.5
201.09109	1.1
203.07024	1.5
204.07823	5.3
205.08566	1.8
206.09343	0.8
216.07832	2.2
218.09445	1.2
219.10167	3.3
221.11633	2.2
231.10104	4.1
233.11697	3.5
234.08911	1.1
237.11247	0.9
249.11195	100.0
250.11455	1.2
251.12811	2.7
253.97414	0.7
267.12234	3.2
365.97745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11176	1.2
59.60725	1.1
69.03432	2.4
71.09948	1.4
77.03960	1.3
77.37169	1.1
79.05486	3.8
81.03387	1.3
85.02890	6.2
91.05484	5.5
93.07034	1.8
95.04974	2.2
97.02925	3.0
103.05446	2.9
105.07044	2.4
107.04959	6.5
119.04921	1.5
121.06507	7.5
123.04414	2.6
127.03931	2.8
128.06248	2.0
129.07013	6.6
131.04968	2.4
131.08586	3.8
137.05949	6.9
145.06512	2.6
147.04416	4.6
147.08145	1.4
148.05200	1.6
149.05959	3.4
151.03899	2.1
151.07530	5.2
152.04669	1.5
153.05469	3.9
155.07045	1.7
157.06491	5.4
159.08017	2.1
161.05969	8.4
161.09624	3.9
163.07529	6.3
165.06970	1.8
165.09166	3.5
166.06180	2.1
167.07031	28.7
167.08438	2.5
174.06824	6.0
174.08069	1.4
175.07553	5.1
177.09134	5.4
179.06982	1.7
181.08582	34.4
187.07564	1.7
189.09091	28.3
191.06981	3.2
193.06454	2.1
193.08553	1.6
195.08020	2.1
197.09676	3.8
201.09108	2.4
207.10152	5.2
219.08109	2.0
219.10158	15.2
223.07443	2.4
225.09135	4.9
236.08339	1.7
239.06995	1.6
247.07536	1.4
249.21265	1.4
253.08612	5.5
255.10043	1.6
257.08060	1.8
257.11716	4.6
267.10101	1.9
270.08914	1.5
271.13177	1.6
283.09656	5.0
283.13364	3.8
285.11182	10.5
299.09134	1.8
299.12576	2.1
305.13870	1.8
311.12790	3.3
315.12354	6.6
317.13828	13.5
331.15466	1.7
343.15353	21.3
361.16425	100.0
362.16672	1.8
364.52206	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
61.09521	1.2
67.05537	1.5
69.03429	4.5
70.77895	3.0
70.78268	2.7
74.50831	1.4
77.12231	1.4
79.05488	3.1
81.03400	1.7
81.07053	2.1
82.61015	1.2
84.49217	1.6
86.12034	1.2
91.05465	14.9
93.07024	2.2
95.04968	4.1
95.08630	1.4
103.05448	7.5
104.06226	1.3
105.07008	4.5
107.04942	28.1
107.08619	2.2
107.88550	1.3
107.97310	1.2
109.64943	1.3
115.05462	4.4
117.06982	3.4
119.04924	3.2
119.08501	1.6
119.19232	1.2
121.06496	6.6
123.04424	1.8
129.06996	1.6
131.04915	4.3
132.05647	2.7
133.06493	2.1
133.10075	1.9
135.08051	5.1
135.11742	1.6
136.05159	10.2
137.05975	5.5
138.05750	1.4
138.06694	7.0
139.07533	2.9
145.06532	1.3
147.04398	3.1
147.08052	13.0
148.08812	3.5
149.05951	7.6
150.06693	1.5
151.07520	53.3
157.06503	2.9
163.07523	36.5
164.08322	19.5
167.07037	2.1
172.05103	2.9
173.05977	3.1
175.07635	2.0
177.09088	1.6
178.09871	60.8
179.10648	100.0
187.07510	4.6
188.08261	2.8
189.09135	1.9
193.04855	1.6
195.10204	2.2
203.10623	6.1
215.07051	11.8
219.08052	2.9
225.09109	2.6
233.07935	10.9
235.07500	2.5
239.10712	2.0
247.07558	5.2
249.11243	3.1
251.10512	1.6
253.08755	1.9
261.09109	3.6
262.09848	5.3
263.07098	2.0
265.12283	4.6
273.11227	2.4
278.09344	3.6
279.10144	2.3
285.11279	7.2
287.12762	2.3
293.11710	16.7
311.12817	2.9
325.14343	9.5
329.43521	1.5
339.12201	44.1
357.13193	2.4
371.14487	1.4
449.19531	9.5
540.74432	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.7
57.07069	7.0
58.06581	2.1
63.17065	0.5
67.05477	0.5
69.07046	0.6
70.06582	16.0
70.42701	1.1
70.43088	1.0
71.08620	3.3
72.08110	0.6
85.10149	1.0
88.07615	20.5
102.09164	13.9
105.03375	15.0
119.04963	0.5
131.04930	1.0
149.02338	10.0
149.05956	62.4
151.07559	1.3
153.06953	0.6
165.09079	0.8
175.03932	0.8
181.06447	1.4
181.80008	0.5
193.04921	9.8
193.06505	0.9
219.06543	0.8
235.13304	0.6
256.26315	52.2
257.26633	1.0
297.07541	12.6
341.10153	54.2
342.10550	0.9
552.33801	0.5
570.34149	100.0
571.34747	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	571.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86845	0.6
56.96545	2.6
57.03416	2.5
61.02900	3.2
69.03423	8.5
70.17697	2.9
73.02916	3.8
81.03407	1.6
82.99854	1.7
84.96034	0.8
85.02898	17.4
85.55087	0.7
86.03217	1.2
87.04430	1.2
91.03938	1.6
91.05463	0.9
94.99837	0.9
97.02872	8.3
98.97562	4.9
99.04426	1.2
101.00868	7.5
107.04954	1.0
107.28759	0.8
109.02837	3.6
111.02016	0.8
113.00857	2.0
115.02408	1.3
115.03927	0.9
116.98606	3.7
119.01908	31.6
119.04900	1.7
120.02015	1.1
121.01612	1.0
121.02841	1.3
123.04388	3.0
127.02407	2.3
127.03912	8.5
128.98576	1.7
129.42496	0.8
131.00186	2.4
131.01898	10.8
133.03461	5.5
134.99620	1.5
135.04376	2.0
137.02980	5.2
137.05949	2.1
139.03900	1.3
141.05453	1.3
142.03497	1.2
143.01880	20.8
145.03467	13.8
145.04922	2.7
146.02298	1.0
146.05289	0.7
146.99606	1.6
147.01361	2.5
147.03105	2.0
147.04401	4.9
149.01184	4.5
149.02939	2.7
151.04424	0.9
152.02357	0.8
155.01863	15.7
155.02905	0.7
156.03610	8.0
156.53770	1.5
157.03450	11.9
158.99622	2.7
159.05014	2.2
160.04472	0.8
161.01479	1.4
161.02942	30.5
162.03067	1.3
163.02661	1.1
163.03963	2.9
165.06052	1.1
167.01883	6.6
167.07045	0.7
167.54349	1.1
168.99759	1.8
169.03421	4.4
170.99709	1.7
171.01357	2.9
171.04994	4.8
173.01419	1.8
173.02942	28.7
174.03067	1.8
175.00922	1.1
175.04515	7.5
177.00693	2.5
177.02345	1.2
177.05608	1.3
179.01923	3.8
179.03674	1.0
181.03432	1.7
183.01346	0.8
183.04999	1.6
184.04587	2.8
185.02936	48.6
186.03072	3.3
186.04631	0.8
187.00848	2.2
187.02899	0.9
187.04535	8.0
189.00668	2.9
189.02432	2.7
189.06181	1.0
191.02301	1.4
191.03957	6.5
191.07378	0.7
195.01526	1.1
196.04515	1.7
197.02919	18.5
198.03120	0.8
199.00885	1.8
199.02753	1.0
199.04520	2.2
200.04440	1.1
200.07581	4.3
201.00706	2.4
201.02434	4.0
201.06010	2.7
201.07841	5.8
202.03783	0.9
202.09256	1.3
203.02190	0.9
203.03992	20.4
204.04185	1.0
208.04636	1.7
209.02965	2.3
211.04480	2.3
213.02435	4.3
213.86224	0.8
215.00668	3.7
215.03995	11.4
217.01915	3.3
217.05537	3.1
218.08733	2.1
219.01703	3.0
219.03499	4.0
219.05211	1.8
219.08896	2.9
220.06883	1.1
221.03207	1.0
221.05042	5.7
225.06042	1.4
227.03989	12.7
227.07593	1.0
228.03581	1.5
228.05655	17.4
228.07675	1.1
228.55832	9.7
229.01874	2.6
229.05615	2.5
229.07446	2.2
231.03506	5.4
233.05009	2.4
237.02740	3.8
237.06172	2.6
237.56358	2.0
239.04025	2.9
245.05048	100.0
246.05627	4.9
246.08081	5.3
247.02893	5.4
247.06834	0.6
247.08528	6.9
248.56955	1.7
249.04532	1.5
257.01328	1.1
257.04962	7.1
259.02997	2.5
259.06622	1.0
261.02814	3.3
263.06125	13.6
264.07654	0.9
270.08231	2.3
271.02957	2.8
271.08554	3.5
272.06265	1.0
273.04361	1.3
273.08170	1.5
275.02478	5.0
275.06061	11.9
276.06604	0.9
279.03888	1.4
281.57156	0.8
282.07932	1.3
286.07660	2.3
287.05640	1.8
288.09244	0.9
289.04062	16.7
289.09457	3.0
293.07538	4.0
297.04535	0.9
301.04016	4.8
303.05643	1.4
303.09015	1.2
305.07178	9.8
307.05042	11.6
311.06522	1.4
318.08865	2.2
318.59015	2.6
319.05048	6.1
319.10004	2.5
321.10379	1.3
331.05002	3.1
331.10535	1.0
335.08261	4.8
337.06064	1.3
337.09790	1.5
343.05035	1.8
348.11441	1.1
349.06113	11.8
349.11526	2.0
351.11337	1.6
359.04523	3.2
361.06024	1.4
365.09311	12.0
373.06094	2.1
377.05573	5.0
383.09549	1.1
391.07147	12.3
391.12280	1.2
392.07068	1.0
399.61847	1.8
400.12198	1.3
409.08173	10.5
409.13641	3.3
410.79547	1.0
451.09302	1.0
469.10080	1.4
474.70807	0.8
479.75159	0.8
511.11673	1.9
539.10669	2.4
571.12476	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	571.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94003	1.4
56.92835	1.3
56.96529	1.5
58.99835	1.2
60.87339	1.4
61.11269	1.1
66.31750	1.2
66.68517	1.3
69.03388	1.4
71.11523	3.0
82.08649	1.2
82.99854	2.7
97.02908	1.4
101.00861	6.6
115.02390	1.6
115.74049	1.5
119.01900	28.2
119.04926	2.4
119.09509	1.3
127.02460	1.9
131.01910	10.0
133.03430	5.7
137.02928	3.7
143.01871	21.0
145.03471	15.3
147.01355	3.0
147.04382	5.3
149.02910	2.6
155.01872	15.0
157.03432	7.7
161.02946	36.6
163.04558	2.3
167.01840	7.7
168.99925	3.3
169.03470	3.1
171.01433	3.1
171.05070	2.1
173.02933	24.1
175.02928	1.4
175.04523	5.7
179.01814	1.4
184.04594	1.6
185.02936	49.1
185.04596	2.6
187.00829	5.6
187.04462	6.3
189.02455	1.5
191.03989	4.2
197.02924	15.5
199.00932	2.7
199.04488	1.9
200.07651	2.1
201.02432	3.0
201.07912	2.9
203.03986	15.2
215.00375	2.9
215.04010	10.3
217.01950	4.1
219.03458	3.7
221.05180	3.3
227.04021	9.2
228.05678	2.5
229.01758	1.6
229.07242	1.9
231.03471	4.1
245.05058	100.0
246.05424	2.7
246.08086	1.9
247.02950	3.1
247.08418	3.1
257.05057	4.2
259.03113	2.7
263.06088	10.9
271.02762	2.8
271.08435	2.0
275.02814	2.7
275.06088	12.4
289.04062	10.8
293.07126	5.6
301.03973	3.9
305.07321	7.8
307.05179	9.1
315.05734	1.5
319.05060	4.9
331.04984	3.2
335.08304	4.0
349.05872	6.6
359.04593	2.7
365.09235	15.2
377.05649	3.1
391.07288	6.6
409.08063	4.8
409.13690	2.8
492.66330	1.4
511.11154	3.8
539.10767	3.6
571.13385	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
53.44918	0.5
54.47906	0.6
55.01857	1.7
65.03927	6.8
67.05486	2.1
69.03400	0.6
70.92526	1.4
71.01327	0.9
79.05476	1.7
79.42362	0.6
81.03423	1.0
85.02874	0.7
85.45390	0.6
90.70206	0.6
91.05473	2.1
93.03405	1.9
93.07062	1.1
95.04937	1.8
95.08611	1.2
103.05463	1.2
105.03378	0.8
105.07039	1.0
107.04941	4.5
108.02081	0.7
109.02882	0.8
110.03665	4.2
111.04430	6.3
115.05424	1.3
117.03394	0.7
119.04932	2.0
121.02851	7.4
121.06486	0.9
121.10143	0.7
123.04400	1.0
125.06003	5.3
129.06955	0.6
131.04924	2.3
133.02823	1.3
133.06444	0.6
133.10101	0.6
135.04387	1.8
137.05978	2.3
141.05440	0.9
142.59883	0.6
145.06464	3.2
147.04393	4.7
147.08076	0.8
149.02385	0.6
149.05966	1.5
151.03896	28.8
151.05028	2.3
151.07526	0.9
152.06175	0.6
153.05444	11.7
153.06750	1.2
155.08546	1.4
157.06421	1.1
161.05974	2.3
163.03941	1.7
163.07573	0.8
165.05565	1.4
165.06999	5.3
167.07025	4.8
167.08382	1.1
169.06482	1.3
170.07281	1.0
173.05974	1.5
174.06766	1.4
175.07506	1.3
177.05428	1.6
178.06203	2.0
178.07756	2.5
179.06987	1.4
179.08510	1.0
181.04984	1.0
181.06505	2.9
182.07245	1.3
183.06572	0.8
183.08000	3.7
185.09816	0.9
193.06496	1.1
193.08447	0.7
193.10104	1.9
194.07292	1.1
195.06494	1.7
195.08075	2.2
196.08859	1.2
197.05913	3.4
198.06758	2.7
199.07539	0.7
202.07788	1.2
203.08586	0.9
206.07243	1.1
207.08099	1.3
210.06720	2.2
211.07527	10.1
211.11172	1.6
212.08284	0.9
213.05435	1.4
221.06006	0.9
221.09612	3.4
223.07513	2.1
224.04829	0.7
224.08220	2.9
225.05435	0.9
225.09081	1.0
226.06226	9.1
227.06891	1.2
234.06822	1.3
235.07631	0.9
235.09669	1.3
237.05540	1.2
237.09105	0.6
238.06270	1.7
239.07007	25.7
239.10590	8.3
240.07751	2.3
241.04932	1.1
241.08563	2.6
243.10231	0.9
249.09045	1.4
251.07011	0.7
252.07835	1.5
253.08594	1.6
254.05644	1.6
255.06470	3.1
256.07233	1.1
257.11795	1.2
267.06668	3.8
267.10019	4.8
268.07272	1.1
269.08072	2.3
270.08878	1.8
271.09628	2.3
271.13379	0.6
281.08124	1.3
282.08878	1.4
283.06458	0.7
283.09573	1.4
284.10245	0.7
285.11191	9.7
286.08197	0.6
295.09677	2.7
299.09131	5.7
299.12592	1.3
313.10669	33.7
314.11459	1.5
315.12585	1.0
317.13864	1.3
325.10721	0.8
327.12231	1.8
339.12015	0.9
343.12057	0.7
345.13297	100.0
346.13593	2.8
357.13266	6.3
425.10205	0.7
529.70325	0.7
571.26489	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	571.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01884	0.9
55.05496	6.0
57.03429	1.4
57.07058	1.4
59.04993	100.0
65.03485	0.7
65.03910	1.0
67.05501	5.1
69.03443	1.2
69.07060	2.9
69.87010	2.7
69.87413	1.3
71.04999	4.1
73.06553	0.8
79.05487	4.4
79.13985	0.7
81.03403	0.7
81.07050	6.5
83.04960	3.9
83.08605	3.2
85.06534	6.8
91.05476	7.3
93.07025	6.3
95.04959	4.3
95.08588	4.4
97.06519	1.5
97.10181	2.1
99.08099	2.2
101.06001	5.3
103.05463	1.4
105.04562	0.9
105.07021	7.1
107.04951	2.5
107.08583	7.2
108.05814	0.7
109.06543	2.9
109.10139	1.7
113.05997	1.1
115.05480	1.5
117.07008	1.6
119.04972	0.8
119.08614	2.8
121.06489	16.1
121.10195	1.1
123.08051	3.2
125.09615	5.1
127.07644	1.0
128.06229	1.4
129.06984	3.6
131.04948	1.9
131.08571	3.2
133.06476	1.7
133.10143	1.7
133.50554	0.7
133.99063	0.6
134.07274	0.8
135.08046	7.3
135.11673	1.7
136.05147	0.6
136.52319	0.6
137.05952	3.9
137.09663	2.0
138.06799	1.2
139.07506	0.7
141.06990	1.0
143.08595	1.4
143.10686	3.4
145.06471	1.5
145.10173	1.6
146.07265	3.7
147.04453	1.5
147.08078	2.1
149.05965	20.1
149.07109	1.3
149.09628	1.5
150.06773	2.2
151.07533	16.7
153.12798	2.3
157.06493	1.1
157.10135	1.0
158.07295	1.2
159.08109	2.0
161.05995	2.5
161.09589	1.7
162.06731	4.1
163.07526	7.1
164.08362	1.2
164.65584	0.7
165.05519	2.8
165.09091	7.4
167.07079	2.8
169.10204	0.8
171.11726	1.3
171.98409	0.6
172.08862	1.2
173.06033	0.7
173.09639	1.0
175.07515	5.2
176.04793	0.8
177.05460	11.9
177.09091	4.9
178.06239	1.8
178.09869	1.3
179.07018	5.5
179.10684	1.7
180.07805	1.0
187.07584	0.9
188.08281	1.1
189.09073	17.9
189.10683	1.1
189.12677	0.8
190.09854	1.0
191.07089	0.9
191.10748	2.2
193.05003	0.7
193.08575	11.6
194.09357	15.6
195.08626	0.7
195.10136	4.2
197.09648	0.7
199.07536	1.0
201.09157	1.8
201.12808	1.0
203.07043	1.0
203.10735	2.8
205.08583	3.3
205.12347	0.6
207.10193	1.5
213.09258	0.9
215.10739	2.2
217.08675	2.1
217.12270	0.9
218.09419	2.8
219.10120	3.6
227.10704	1.0
229.08652	1.7
229.12157	4.4
231.10239	1.4
233.11858	1.8
247.13313	4.5
255.13928	1.5
257.11835	1.4
269.15341	1.0
273.14865	1.5
273.18521	0.9
274.12122	1.7
287.16528	2.8
291.19672	2.4
300.13519	0.8
318.14563	1.2
349.20428	0.8
393.50131	0.8
417.39700	0.9
496.21603	0.7
571.36798	1.1
571.47577	1.8
574.81250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70955	0.7
54.14287	0.6
55.01846	0.8
56.71618	0.6
56.96549	0.8
57.03418	0.6
69.03427	0.9
69.60858	4.9
79.05457	1.0
81.03429	0.9
85.02878	2.7
91.05467	2.1
93.07030	1.5
98.97572	1.6
103.05452	6.9
107.04938	2.7
116.98626	1.5
119.04906	2.0
120.08092	100.0
121.06510	1.5
123.04422	0.8
127.03893	0.7
131.04884	3.4
133.02855	2.5
135.04393	0.9
137.05954	2.1
145.05031	0.7
147.04430	3.6
149.05981	3.9
163.03914	1.9
165.05472	1.8
166.08618	42.1
167.06989	2.5
175.02577	0.8
177.00742	1.0
177.05434	3.9
197.08098	4.5
208.09644	1.5
209.08034	5.8
227.09230	1.0
237.02824	2.0
289.57806	1.0
340.24908	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02311	0.4
53.03931	0.5
57.03424	0.7
67.05505	0.3
69.03395	0.3
69.35561	2.6
69.35968	0.6
73.02913	0.5
74.95134	0.3
78.04707	1.9
79.05488	2.7
81.03406	0.5
81.07008	0.4
81.14191	0.3
86.97630	0.3
91.05474	1.8
93.07026	0.6
95.04953	0.7
97.02885	0.4
97.39992	0.3
103.02013	0.3
103.05450	4.1
105.07024	5.0
106.04162	1.3
107.04948	5.9
107.08490	0.3
108.05743	0.3
109.02894	0.5
109.06493	0.4
115.05427	1.7
117.07018	1.3
119.04907	0.7
121.06493	1.4
123.04419	5.7
123.08064	0.8
124.05222	2.7
125.05964	0.7
125.52332	0.4
128.06172	0.5
129.06978	1.4
130.60419	0.3
131.04921	5.0
131.08524	0.6
132.05653	0.6
132.06564	0.3
133.06476	4.8
134.03612	0.4
135.08032	0.9
136.05222	0.4
137.05972	2.5
139.07539	0.5
141.06966	0.7
143.04852	0.4
143.08505	0.5
144.05682	0.8
145.06477	2.0
145.10121	0.5
147.04396	1.2
149.05952	1.0
151.03905	1.5
151.07524	3.3
152.04668	1.8
153.05476	0.6
158.07205	0.9
159.08015	1.4
160.05127	0.5
161.05963	6.3
163.07529	11.5
167.07019	100.0
168.07388	1.8
169.06442	0.5
172.05145	0.3
173.05942	1.4
173.09575	1.1
175.07564	1.7
177.09097	2.5
179.07005	3.3
179.50629	0.3
181.07083	0.4
181.08583	6.2
185.06071	0.3
186.06682	0.5
187.07527	2.4
189.09163	0.4
192.07779	0.8
193.08583	16.1
199.07343	0.4
201.09091	1.6
202.10861	0.3
203.08641	0.5
204.07803	0.5
205.08643	1.2
207.10117	0.6
217.08629	0.9
219.08322	0.3
219.10205	1.7
231.08086	0.5
233.11688	3.0
235.11084	0.5
237.11220	2.4
247.09686	0.4
249.11237	0.5
251.12892	1.8
263.10522	0.8
291.10049	0.6
295.13361	0.6
323.12769	1.9
339.71515	0.3
355.15375	11.6
387.13013	0.5
387.18015	10.2
388.18332	0.4
405.19049	18.7
406.19400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33707	0.5
55.05499	1.7
63.67648	0.5
64.24948	0.5
65.96052	0.5
67.05485	2.9
69.03423	1.0
69.07058	1.7
71.52734	1.0
79.05481	1.8
81.03409	1.1
81.07047	4.9
81.38910	0.6
83.04973	0.5
83.08615	1.0
85.02927	0.9
85.11201	0.5
91.05467	3.0
93.07030	2.5
95.04952	1.3
95.08603	4.6
97.06497	0.7
97.10177	0.8
99.74744	0.5
105.07034	1.6
107.04974	0.7
107.08588	2.4
109.06490	1.0
109.10143	1.7
115.05469	0.7
117.15994	0.6
119.08576	1.9
121.06513	0.5
121.10136	2.1
123.04451	0.8
123.11739	1.0
127.13957	0.6
131.08548	1.2
133.10120	1.3
135.11678	0.8
137.05963	2.1
145.06590	0.6
145.10092	1.4
147.04388	1.4
147.08014	0.7
149.13251	0.9
151.07498	1.2
151.14812	0.6
153.05466	2.5
159.11685	1.0
161.06009	1.7
163.07530	0.8
165.05449	2.2
165.09093	0.8
167.06845	0.5
175.07535	0.8
177.05478	5.1
179.07063	1.5
191.07047	1.8
203.07048	2.1
207.06438	1.6
219.06551	2.3
231.06470	4.0
233.07974	0.7
243.09947	1.3
249.07585	2.9
254.96194	0.5
395.14597	6.9
396.15543	0.8
410.16907	1.3
411.17844	4.4
555.32928	0.8
573.22992	100.0
574.23254	1.6
577.36993	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	573.3034
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.05505	3.8
57.03429	5.0
57.07071	28.5
67.05506	10.6
69.03417	2.1
69.07053	9.4
71.08624	20.7
71.52032	2.0
71.52448	2.6
79.05486	6.0
81.03402	3.9
81.07059	15.2
81.76216	1.8
83.08629	8.5
85.10163	7.2
91.05493	3.9
93.07059	4.2
95.08603	17.1
97.10159	3.9
98.98466	26.1
105.07012	2.1
107.08598	3.3
109.02859	3.5
109.10142	6.9
115.83004	1.6
121.10129	4.5
123.11691	2.3
134.08771	1.6
137.13164	2.1
143.08626	2.4
155.01028	24.5
181.26465	1.7
212.63377	1.8
239.23805	4.4
261.03827	3.0
313.27344	100.0
317.06207	2.3
393.24060	3.7
573.48895	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	573.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.5
55.01880	3.2
55.05510	25.1
57.03412	4.9
57.07071	19.1
65.03896	4.7
67.05498	37.8
68.56750	3.0
69.03423	12.0
69.07063	25.8
70.16703	12.2
70.17038	2.8
71.04988	3.6
71.08622	8.1
74.96957	2.6
77.75259	2.4
79.05491	18.5
80.44649	2.4
81.03413	19.8
81.07050	41.4
83.08611	14.2
83.63511	3.0
85.02886	16.0
85.10172	5.2
91.05487	27.0
93.07029	31.0
95.04935	4.1
95.08609	43.6
97.02871	7.5
97.06528	3.6
97.10163	4.7
98.98471	12.1
105.07028	33.0
107.08598	24.7
108.36398	3.1
109.02835	6.3
109.10128	16.8
111.04420	3.8
114.55009	3.0
117.07009	10.0
119.08581	31.2
121.06483	3.3
121.10124	14.8
123.11695	7.6
127.03976	3.7
128.06223	6.2
129.07008	8.8
131.08553	27.2
133.10118	24.2
135.11693	10.8
137.13228	3.0
141.06955	4.3
142.07759	10.5
143.08557	29.4
145.10120	31.4
147.11687	13.2
149.13286	4.3
155.01056	7.8
155.08528	15.4
156.09354	6.3
157.10110	31.3
159.11714	24.1
161.09546	3.6
161.13252	6.7
167.08549	3.5
169.10143	25.6
170.47546	3.1
171.11696	24.7
173.13277	22.0
175.14844	6.3
181.10109	7.9
183.11679	21.5
185.13298	13.8
187.14845	10.5
189.16368	4.6
194.10765	2.9
195.11708	10.7
197.13242	17.3
197.65315	2.9
199.14766	14.9
201.16446	8.0
209.13286	5.5
211.14850	9.4
213.16389	13.1
215.17975	6.0
221.13225	3.8
223.14799	4.3
225.16385	7.1
227.17923	7.0
237.16440	3.7
239.18094	8.0
243.21167	3.2
253.19565	6.3
255.21095	3.9
313.27371	41.0
337.25232	6.1
351.26721	4.4
391.29990	3.2
393.31534	11.6
411.32742	6.6
519.34613	4.0
537.35822	10.6
555.36926	24.2
573.37823	100.0
573.48029	8.6
574.37506	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	573.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
53.00299	0.9
53.03941	2.9
55.01863	1.2
55.05506	14.5
57.03424	1.0
57.07070	33.5
62.98253	0.6
65.03931	2.6
67.05496	39.9
69.07058	17.3
69.07354	0.3
71.04974	1.4
71.08624	24.0
73.08859	0.6
74.32799	0.6
77.03884	0.6
79.05486	32.3
80.94839	6.9
81.03432	0.7
81.07047	42.6
83.04974	1.2
83.08613	15.4
85.06544	1.4
85.10171	13.2
91.04894	0.9
91.05470	18.1
93.07033	33.9
95.04971	5.3
95.08595	38.7
97.06517	1.4
97.10153	8.3
98.20686	0.9
99.08102	0.8
99.11707	1.0
104.99263	13.5
105.04486	1.2
105.07024	11.9
107.08583	13.7
109.06506	0.8
109.10141	18.3
111.08082	0.9
111.11703	2.5
117.07014	3.1
119.08588	7.3
121.10131	15.5
123.11669	6.9
125.13272	1.2
131.08522	5.2
133.10098	4.9
135.11664	8.3
137.13252	3.1
145.10074	4.9
147.11696	3.2
149.13245	3.7
151.14792	1.1
159.11707	3.1
161.13239	4.2
163.14825	1.1
173.13289	2.3
175.14838	1.8
179.17941	0.5
186.99539	5.6
187.14857	1.2
221.22670	0.9
221.98660	0.5
239.23668	10.0
243.21127	1.9
244.95378	6.9
261.22101	7.2
268.99792	9.8
313.27328	3.1
317.24756	4.3
326.95374	0.6
408.96088	0.7
567.91394	1.6
573.48706	100.0
574.48938	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	574.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46008	6.9
56.16648	7.7
67.05458	9.0
69.07051	11.2
69.76407	32.9
69.76830	24.5
79.05493	11.4
80.51082	9.2
81.03410	13.2
81.07033	14.2
84.85561	7.6
85.02888	9.2
91.05465	36.0
93.07037	10.1
95.04962	12.0
95.08597	17.5
98.40131	9.0
105.07026	14.9
107.04943	23.8
107.08556	9.6
109.02914	11.9
111.04443	13.0
111.56261	8.5
119.04914	28.8
121.06468	12.2
122.03609	12.5
123.04425	14.7
131.08536	9.2
133.02882	15.6
133.06480	9.4
137.05946	98.6
138.19333	8.5
138.90771	8.1
145.02756	11.4
147.04364	36.1
149.05923	13.0
151.03897	12.9
151.07556	45.3
157.06461	13.7
161.05972	100.0
161.09587	22.4
163.03905	12.9
163.07484	11.6
167.07028	49.6
167.08289	8.0
175.07545	25.6
177.05484	41.2
181.04987	21.6
189.09126	41.8
195.07997	12.2
195.10094	11.2
202.53818	9.0
207.06421	17.1
207.10030	54.1
219.10104	32.4
223.07707	11.7
237.09044	15.1
242.42372	8.9
253.08658	19.9
265.08801	10.2
267.10260	12.6
283.91959	9.0
287.05295	10.3
297.11115	35.7
311.12827	12.2
313.14395	14.5
329.13806	32.1
331.15457	14.9
355.15286	32.4
479.20502	17.4
574.20245	12.7
574.29071	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36739	5.9
55.23208	4.7
56.84356	4.6
61.76801	4.9
66.66283	4.4
67.05479	6.1
69.03407	7.0
71.52975	7.1
75.82515	5.0
79.05495	7.7
81.03391	5.5
81.07034	8.2
91.05457	18.8
93.07021	20.3
95.08580	6.0
103.05447	6.6
107.04929	19.0
107.08582	7.6
109.02881	13.1
109.10148	9.1
117.03366	5.4
117.07015	7.2
119.04904	11.2
119.08582	6.1
121.06516	5.4
121.10120	14.5
123.04388	13.7
129.06998	8.8
131.04942	11.5
131.08560	7.2
131.93958	4.9
137.05971	70.8
147.04388	17.4
149.09624	8.5
151.03891	17.5
151.07523	26.5
153.05322	5.2
157.06436	8.5
161.05977	72.1
161.09650	14.7
163.07513	19.4
175.07486	15.6
177.05444	10.5
181.05000	5.4
181.08545	9.8
189.09102	48.0
191.07051	5.7
195.08090	8.1
195.10043	9.4
201.09129	5.4
206.46152	5.0
207.10158	100.0
219.10074	25.2
248.31596	5.7
249.09021	7.1
265.08575	9.3
268.16397	5.3
277.08746	5.8
279.09888	7.7
283.09732	5.2
285.11188	8.8
287.05627	7.5
297.11160	20.7
303.08820	8.7
309.11038	9.6
310.11981	5.2
311.12735	9.5
313.14264	7.4
321.95648	5.4
329.13776	20.3
331.15347	23.1
342.00214	6.2
355.15314	16.4
367.15509	11.6
479.20432	15.6
574.28760	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	575.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.2
55.01862	11.0
55.05507	33.7
57.03433	34.0
57.07067	6.1
57.48566	2.6
61.73449	2.5
65.03933	8.6
67.05499	89.0
69.03425	5.2
69.07059	25.3
71.04966	8.5
71.52808	2.7
71.53179	3.9
72.52023	2.4
79.05146	1.9
79.05485	64.1
81.03413	43.2
81.07050	66.7
83.04964	13.5
83.08615	20.1
85.02903	16.1
85.06542	28.9
91.05473	65.6
92.53744	2.4
93.07040	47.7
95.04961	79.6
95.08596	34.5
97.02869	4.4
97.06547	14.4
97.10153	9.2
103.05474	3.1
105.07021	44.6
107.04946	25.2
107.08590	24.5
108.40719	2.2
109.02862	3.8
109.06508	72.6
109.10149	15.8
111.04390	3.5
111.08068	9.1
113.05997	70.5
113.06779	3.9
115.05492	3.5
115.72496	3.0
117.06994	20.2
119.04914	3.2
119.07768	5.0
119.08561	37.0
121.06501	8.2
121.10144	15.1
123.08064	8.8
123.11713	3.9
125.09628	2.8
128.06212	6.0
129.06989	16.4
131.08565	32.8
133.06470	7.3
133.10085	19.4
135.07094	5.0
135.08044	53.6
135.11670	12.5
137.05956	4.7
137.09621	7.6
139.03931	3.4
141.06973	5.2
142.07738	4.6
143.08554	10.5
145.06422	4.7
145.10103	20.5
147.08058	9.8
147.11690	14.7
148.77499	2.4
149.09587	12.4
149.13223	4.3
155.08565	3.0
157.10172	17.2
158.43036	2.5
159.07970	3.0
159.11729	12.1
161.09573	14.2
161.13234	3.4
163.07489	5.9
163.11163	9.0
165.09102	3.4
169.10185	3.1
171.11647	6.0
173.13254	7.1
175.11189	9.9
175.14799	3.2
177.12711	5.2
181.12370	2.6
183.11653	3.4
185.09619	3.8
185.13283	4.5
187.11232	3.4
189.05644	2.4
189.12729	2.6
191.14359	2.5
193.12204	24.8
195.10039	3.3
195.13786	2.7
199.11201	3.5
199.14833	7.1
201.12860	3.6
211.13222	21.8
211.14888	2.6
217.15842	23.7
219.13716	2.9
227.17978	4.2
245.19034	3.9
246.76884	2.4
255.17290	5.4
259.20544	4.5
267.15869	16.5
273.15506	3.5
273.18478	53.8
275.20078	7.7
285.17020	5.9
287.05450	4.1
291.19510	100.0
292.19696	3.7
309.20480	3.5
313.21396	2.7
347.22253	11.6
365.23019	5.6
382.42725	2.6
539.33691	6.0
557.34729	23.8
575.35828	36.3
575.50110	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	575.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.7
55.05507	19.3
57.03441	4.0
57.07057	15.7
67.05498	39.7
67.91225	3.8
69.03422	6.9
69.07066	31.7
70.18528	13.2
79.05497	30.5
81.06580	7.5
81.07044	100.0
81.73785	3.8
83.08599	12.7
85.02882	10.5
87.04473	5.9
91.05471	15.0
91.31472	3.5
93.07037	30.9
95.04961	6.3
95.07993	5.5
95.08595	78.6
97.02874	6.9
97.10140	4.8
105.07024	20.0
107.08575	26.0
109.02868	4.0
109.10152	31.4
117.06997	8.4
117.16904	3.3
119.08566	30.0
121.10123	19.6
123.11680	8.2
127.03879	4.8
131.08546	16.5
133.10109	14.3
135.11679	12.8
137.13249	25.4
143.08557	8.9
145.10088	20.0
147.11644	15.2
149.13234	7.4
157.10123	5.0
159.11644	15.8
161.13225	9.4
163.11250	3.9
165.12807	4.0
169.10153	4.6
171.11679	7.8
173.13264	9.8
175.14774	4.7
177.12727	4.1
179.14323	3.8
185.13228	7.9
187.14859	6.9
199.70282	3.9
215.17842	4.6
217.19498	3.6
225.15921	4.0
243.13756	7.3
259.20535	7.3
395.33081	6.5
404.23892	3.8
544.66351	4.1
557.38037	13.8
557.45874	4.3
575.39349	41.6
575.49335	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	575.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.6
55.01873	9.7
55.05507	43.9
57.03438	12.4
57.07071	7.9
59.04992	3.7
62.78911	3.0
65.03920	5.2
67.05503	100.0
69.07063	28.0
71.04978	16.2
71.08611	4.7
71.53238	3.8
79.05486	68.5
81.03401	19.1
81.07048	91.7
83.04964	12.7
83.08606	20.9
85.02903	5.5
85.06544	8.1
91.05480	71.9
93.07036	77.7
93.07620	4.5
95.04950	27.9
95.08041	6.3
95.08597	57.8
97.06514	13.1
97.10155	28.7
99.08091	3.6
103.05443	4.6
105.07012	54.3
107.04953	12.6
107.08585	35.4
109.06503	10.6
109.10165	30.7
111.08052	7.2
113.09617	3.7
115.05406	4.3
117.07005	26.1
117.48738	3.6
119.08569	41.4
121.06510	11.4
121.10141	32.7
123.08042	8.8
123.11703	6.5
125.09615	20.9
128.06206	7.6
129.06989	24.4
131.08571	44.5
133.06468	7.2
133.10126	36.3
135.08055	15.3
135.11678	10.3
137.05942	4.2
137.09569	6.1
141.06946	7.2
142.07753	9.1
143.08566	23.8
145.10117	36.6
147.08032	6.6
147.11685	17.3
149.09656	7.5
149.13254	4.5
151.11166	9.0
155.08554	11.4
157.10114	22.0
159.08037	7.7
159.11681	29.2
161.09631	9.1
161.13242	9.6
163.11131	6.5
165.05521	4.6
165.12831	4.4
169.10132	15.1
171.11650	17.9
173.09602	6.2
173.11862	3.6
173.13272	15.3
175.11197	9.1
175.14713	4.6
181.10121	7.0
183.11726	8.8
185.13272	13.5
187.11169	6.1
187.14795	9.1
189.11127	7.7
189.12788	3.8
193.12215	7.6
195.11739	10.2
197.13225	9.3
199.14864	8.1
209.13219	6.7
211.13251	8.5
222.13722	3.3
223.15001	3.5
227.12813	14.4
233.15515	4.0
255.17375	4.8
259.20621	4.0
267.15845	10.3
267.48007	3.9
271.94659	3.6
273.18491	11.4
285.22009	5.2
287.38068	3.4
291.19528	14.0
295.20651	4.6
299.20413	4.0
299.23666	10.2
347.22351	5.4
361.23676	3.6
365.23370	5.0
415.29813	4.9
421.25760	6.6
433.30984	15.1
451.31976	15.1
469.33157	8.0
499.33673	4.9
507.34317	5.2
517.35004	29.9
525.35834	50.3
543.36804	51.2
557.37811	14.9
575.23456	3.4
575.38477	22.9
575.49908	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	575.6119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42747	1.7
55.05506	42.0
57.07071	63.5
60.41369	2.1
64.36485	1.6
67.05501	52.6
69.07065	73.8
69.52457	15.1
71.08234	3.1
71.08629	55.9
79.05490	11.1
81.07052	79.2
83.08615	57.2
85.06515	2.4
85.10184	34.6
87.04459	1.9
91.05478	2.7
93.07039	6.1
95.08603	100.0
97.10162	47.6
99.11730	5.2
105.07031	2.2
107.08624	3.3
109.10152	55.0
111.11720	32.2
113.13259	2.8
116.82460	1.8
123.11694	19.6
125.13286	18.0
126.85336	1.6
133.36551	1.9
137.13228	13.4
139.14853	5.7
147.74487	1.6
151.14835	6.8
165.16385	8.7
179.18002	5.0
239.23582	2.5
253.61618	1.9
291.30295	2.1
347.37201	2.2
361.37927	3.4
508.63635	1.8
557.60187	17.7
575.50092	29.0
575.60980	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	576.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.05493	4.2
57.07043	2.7
65.03925	5.2
67.05494	10.9
69.03434	3.1
69.07053	9.4
71.04989	21.8
71.52808	4.0
71.56653	2.0
77.01086	1.9
79.05469	6.6
79.77109	2.2
81.03400	2.7
81.07066	11.1
83.04967	5.6
85.06535	3.2
91.05462	21.0
93.07014	4.0
95.04959	10.1
95.08584	9.4
97.06521	6.0
97.10094	2.2
103.05462	4.3
105.07021	16.8
107.04944	4.5
107.08575	10.3
109.06517	15.3
109.10134	9.3
113.05991	11.8
115.05443	4.2
117.03351	5.2
117.06984	6.3
119.04964	4.8
119.08540	4.7
121.06495	51.9
123.04424	6.6
123.08036	17.7
125.09631	24.5
127.07533	2.2
128.06210	4.8
129.06976	3.4
131.04921	6.3
131.08522	3.9
133.06456	5.0
133.10056	3.2
134.03639	3.4
134.07240	2.4
135.04387	8.1
135.08041	21.3
137.05933	13.9
137.09583	6.3
138.06686	3.9
141.09109	10.4
143.08554	4.0
145.02843	6.7
145.06517	4.8
145.10104	4.1
146.07251	12.8
147.04411	10.3
147.08005	3.9
149.05971	78.9
150.06625	2.5
151.07509	17.1
155.10637	2.7
157.06493	2.4
159.08008	7.7
161.05991	17.0
162.06734	6.3
163.03888	21.8
163.07545	21.4
165.05466	71.3
165.06879	4.1
165.09050	13.0
167.07019	7.3
171.08008	3.2
173.06052	4.1
173.09608	3.8
175.07520	12.9
177.05453	100.0
177.09061	17.0
178.05833	2.1
179.07018	4.8
179.10631	7.5
180.07768	4.8
181.04947	14.7
185.06032	2.2
185.09654	5.1
187.07507	12.4
188.08313	23.3
189.05544	2.7
189.09113	22.7
191.03352	13.1
193.05011	12.7
193.08586	9.4
195.10139	34.2
197.05879	2.5
198.06755	8.1
199.07539	5.1
201.09119	8.4
202.09862	7.3
203.06984	5.7
203.10605	17.8
205.04964	27.2
205.08563	10.4
205.12250	4.1
207.10153	3.3
213.09079	13.5
215.06995	10.9
215.10542	4.1
217.08655	14.1
217.12204	3.1
221.08170	3.7
226.10086	2.9
229.08549	28.4
231.10124	35.0
231.13724	2.5
233.08017	21.5
240.11519	3.3
241.12234	9.2
243.06583	4.6
247.13293	3.0
257.08154	13.9
257.11649	3.4
259.09674	12.8
259.13141	5.2
261.07544	3.6
269.11722	9.8
273.14795	15.1
283.13184	10.9
287.05405	3.3
287.12744	4.2
301.14288	54.6
319.15314	8.0
329.13794	27.0
342.64374	2.2
367.47650	1.8
383.14856	7.2
409.16617	12.2
550.84985	1.9
551.21997	1.9
577.20612	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	576.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.0
55.05499	29.5
57.03420	19.5
65.03962	10.1
66.03917	6.4
67.05496	49.6
69.03400	13.2
69.07063	17.1
71.04980	29.8
71.52835	14.0
79.05482	42.5
81.03400	26.5
81.07046	43.0
83.04967	11.2
83.08604	12.4
85.06567	8.8
91.05470	38.3
93.07022	25.0
95.04958	41.0
95.08583	27.9
97.06520	14.1
97.10172	15.6
98.35404	8.6
103.05492	7.6
105.07005	31.3
107.04946	10.3
107.08582	26.9
109.06512	22.4
109.10151	12.1
111.04427	12.2
113.05981	13.2
119.08537	14.6
121.06493	71.8
121.10116	14.6
123.04419	20.8
123.08033	34.9
123.11701	10.8
125.09633	25.9
129.06987	13.7
131.04889	8.9
131.08557	9.6
133.06516	12.2
135.04370	30.0
135.08092	36.6
135.11688	10.0
137.05939	23.7
139.03880	7.9
141.09052	12.3
145.02826	14.0
145.06473	13.1
145.10086	11.9
146.07269	16.4
146.10606	8.2
147.04373	13.9
147.08015	13.2
149.05960	88.8
151.07498	40.0
157.10112	11.6
158.07030	7.7
159.08081	11.7
161.05986	26.7
162.06737	19.2
163.03905	28.0
163.07504	31.8
165.05469	62.0
165.09085	16.6
167.07013	17.4
173.05992	8.2
175.07494	21.0
175.11090	7.8
177.05431	98.4
177.09131	23.1
179.10596	9.5
181.04938	14.0
181.41342	7.8
187.07481	21.1
188.08307	35.5
189.09125	28.2
193.04924	13.5
193.08601	16.7
193.12234	10.4
195.10175	39.0
198.06818	14.3
201.09114	13.3
203.10583	16.3
205.04980	29.9
213.09036	10.2
215.07056	17.0
217.08543	9.9
229.08585	26.9
231.10164	53.1
233.08153	45.0
235.63037	8.8
257.08017	17.9
259.09598	8.2
259.13034	12.8
269.11743	27.2
273.14798	18.7
279.45419	8.8
283.13202	18.4
293.15378	7.5
301.14343	100.0
329.13803	25.6
409.16492	23.5
496.81213	9.7
558.34564	10.4
576.36267	21.0
576.50690	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	576.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.05499	1.1
57.03424	3.1
60.56913	0.7
62.80678	0.7
64.66276	0.7
67.05495	1.8
69.03430	1.4
69.07053	0.9
71.04973	1.5
79.05489	5.0
81.03397	0.9
81.07050	2.7
82.07465	0.8
83.04971	0.9
91.05450	4.5
93.07032	1.3
95.04945	2.6
95.08601	1.3
103.05447	3.8
105.03442	0.9
105.04311	0.7
105.07026	17.2
107.04958	1.4
107.08582	1.9
109.06491	2.0
109.10152	1.1
111.08109	0.8
113.05998	1.2
115.05447	0.9
117.06992	3.2
119.04955	1.3
119.08617	1.1
120.05692	2.7
121.06498	25.5
121.10088	1.0
123.04408	4.0
123.08081	1.5
125.09578	1.4
127.03933	1.5
131.04929	1.6
133.06479	2.4
135.04391	1.3
135.08046	43.3
136.08418	0.9
137.05978	11.1
137.09572	1.0
138.06747	12.3
139.07523	1.4
145.02866	0.9
145.06464	2.0
146.07233	7.5
147.04398	2.0
147.08070	1.0
149.05949	3.9
149.09563	1.3
151.07526	1.1
153.09085	5.5
159.08054	1.9
161.05951	2.0
162.06801	5.9
163.03894	1.6
163.07544	39.6
165.05475	8.9
165.09186	1.6
167.07033	1.5
177.05457	8.0
177.09081	6.4
180.07823	2.7
187.07515	1.3
188.08302	1.7
189.09077	2.1
191.03397	0.9
193.04942	3.4
195.10159	100.0
196.10429	1.3
198.06752	1.2
201.09052	1.4
203.10641	2.0
205.08629	5.0
213.09102	1.1
214.48924	0.8
215.06952	1.3
215.90918	0.8
227.12637	0.9
229.08528	1.2
229.62454	0.9
231.10059	4.5
233.08051	14.5
259.09622	1.8
261.07489	1.0
269.11655	2.3
283.13165	1.3
287.05435	1.3
301.14359	6.9
310.67358	0.9
319.15094	1.0
329.13730	2.0
383.14716	1.9
471.68295	0.8
576.23499	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1339
Annotation	Robinetinidol-(2beta->7,4beta->8)-catechin
Peak:m/z	Relative Intensity
51.00736	0.4
54.04262	0.3
55.01868	0.7
65.03928	0.8
67.05485	0.5
67.39518	0.3
68.99792	2.2
69.03411	0.7
69.74133	2.0
69.74546	0.8
75.90881	0.4
81.03390	1.0
81.07057	0.4
85.02914	0.8
90.34853	0.3
91.05480	0.6
95.04955	1.5
97.02892	1.3
102.08398	0.4
102.50140	0.3
107.04945	1.5
109.02896	0.8
110.99378	0.3
111.00806	1.4
111.04436	2.6
115.05437	0.7
119.04916	1.0
121.02866	0.7
123.04423	24.3
127.03912	5.3
129.07014	0.5
131.04863	0.5
133.06454	0.4
135.04413	7.2
137.02330	7.6
137.03369	0.4
137.05963	0.5
139.03899	6.8
144.64568	0.4
147.04414	3.4
149.02327	1.8
151.03894	8.8
153.01842	0.5
153.05470	0.8
161.05930	0.9
163.03903	7.3
165.05452	1.7
167.03406	0.6
171.04352	1.1
173.06004	0.5
173.54807	0.4
175.03889	1.3
177.01854	0.7
177.05440	1.0
179.03357	1.3
181.04921	4.6
181.06381	0.6
183.04512	0.8
185.05948	1.2
187.03938	0.4
188.03746	7.3
189.04021	1.7
189.05528	2.0
197.06041	0.8
199.03857	1.9
201.05562	1.9
203.03444	2.4
203.07025	0.5
211.03871	0.5
213.05499	1.4
215.03427	1.1
217.05029	2.4
225.05463	0.4
227.03363	1.9
229.04991	1.6
231.06558	1.5
241.04961	1.6
245.04443	12.2
245.08263	0.5
246.04735	0.5
247.05974	4.7
253.04733	0.6
255.06497	1.0
257.04398	2.1
259.06113	2.3
265.05008	0.4
269.04437	0.8
271.06000	3.2
273.07675	0.7
275.05362	0.9
281.04401	0.8
283.05991	1.1
287.05478	100.0
288.05783	0.9
289.07034	1.4
299.05521	3.2
301.06940	0.7
311.05475	0.5
313.07074	0.4
314.06714	1.0
315.07327	1.0
333.07809	0.5
335.05536	0.6
351.08957	0.5
379.07889	1.4
391.08011	0.5
397.09134	1.6
407.07559	2.8
409.09131	2.3
419.07773	2.0
425.08658	12.4
425.14398	0.7
437.08691	4.6
451.10104	0.5
519.53021	0.4
559.12305	0.7
577.12958	0.8
577.21857	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31459	0.2
55.01870	0.4
57.36522	0.2
65.03944	0.6
67.05501	0.3
68.99778	2.2
69.68434	1.9
70.15871	0.3
75.78184	0.2
77.49505	0.2
79.06035	0.2
81.03387	0.6
83.04997	0.2
90.54171	0.2
95.04946	0.3
102.25903	0.2
105.03381	0.4
107.04927	1.2
109.02869	0.6
111.00806	0.6
111.04427	1.3
117.03333	0.3
119.04881	0.5
121.02847	0.6
123.04418	13.9
127.03903	3.7
128.06282	0.3
131.04878	0.2
134.53214	0.2
135.04402	5.2
137.02322	8.7
137.03271	0.3
137.05907	0.4
138.83165	0.3
139.03883	4.1
139.04987	0.4
143.04901	0.3
145.06448	0.5
147.04402	1.6
149.02345	1.7
151.03899	1.8
153.01825	0.8
157.06441	0.5
159.04210	0.3
161.05928	0.7
163.03893	3.5
165.01912	0.4
167.03447	0.5
168.81029	0.2
169.06432	0.3
171.04402	0.6
173.05965	0.5
175.03883	0.8
177.01805	0.3
177.05414	0.9
179.03392	0.8
185.05946	0.8
187.03853	0.5
189.05434	1.1
191.03412	0.5
197.05972	0.5
199.03905	1.0
201.05492	1.0
203.03331	1.9
203.07109	0.5
213.05434	1.8
215.03468	0.3
215.06999	0.4
217.04944	0.5
225.05544	0.4
227.03336	1.0
229.04903	1.7
231.06473	1.7
235.75731	0.3
241.04924	1.0
245.04413	3.4
247.05948	3.5
255.06519	0.5
257.04431	1.1
258.05295	0.3
259.05997	1.6
261.07471	0.4
269.04422	0.9
271.05984	2.9
273.07480	0.9
275.05457	0.6
275.69241	0.3
283.05960	0.6
287.05463	100.0
288.05887	1.4
289.06970	0.8
299.05508	3.3
301.06995	0.6
311.05441	0.9
335.05347	0.5
379.08060	0.6
393.09622	0.3
407.07535	2.3
409.09052	1.5
419.07672	1.7
425.08606	12.0
437.08603	5.1
448.42307	0.3
451.10251	0.3
540.77423	0.3
556.39435	0.3
559.11865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1336
Annotation	Dehydrodicatechin A
Peak:m/z	Relative Intensity
51.02371	0.6
53.03932	0.9
54.73980	0.5
55.01860	1.5
56.20519	0.6
65.03907	0.7
67.05489	3.3
68.99781	3.3
69.03421	3.9
69.87608	2.7
69.88026	1.0
70.19442	0.5
79.05471	1.9
81.03399	1.9
81.07027	1.2
91.05474	2.2
93.03375	0.8
93.07002	1.0
95.04953	4.8
95.08614	0.8
97.02879	2.9
97.06520	0.7
105.03357	1.8
105.07000	1.1
107.04953	4.8
109.02888	1.4
111.00764	0.8
111.04407	3.7
119.04929	5.7
121.02837	0.7
121.10099	0.9
123.04415	86.7
125.05985	2.1
127.03893	4.1
131.04907	0.7
133.06514	0.9
133.10139	0.6
135.04390	10.8
137.05948	2.6
139.03888	25.6
145.02859	1.2
147.04391	14.5
149.02345	1.0
149.05920	0.7
150.03117	0.7
151.03885	63.7
153.05443	9.2
161.05943	3.7
163.03883	21.8
165.05469	13.9
165.06877	0.8
167.07002	1.1
171.04405	2.2
173.02379	0.7
173.06015	1.2
175.03894	1.4
177.05429	1.9
179.03394	2.1
181.04939	41.3
187.03844	1.2
189.05457	15.0
191.03320	1.7
199.03873	6.2
201.05405	1.5
202.10736	0.8
203.03343	2.1
207.06683	0.7
211.03706	0.6
213.05429	2.4
215.03365	8.0
217.04933	21.5
227.03378	6.1
229.04958	3.7
231.06461	0.8
239.03374	1.8
239.07060	0.8
241.04991	2.4
243.02853	1.3
243.06549	1.4
245.04428	100.0
247.05949	4.5
253.05244	0.8
253.08362	0.7
255.06532	0.7
257.04358	5.5
259.06027	1.1
269.04364	1.7
271.06021	1.6
275.05585	0.7
287.05466	6.8
293.08212	0.7
299.05783	0.7
319.06094	1.1
321.07724	0.9
351.08643	0.8
361.07056	1.9
363.08862	0.8
363.16696	0.7
364.16055	0.7
365.06412	0.7
367.07971	0.8
379.08026	6.4
381.05963	1.0
388.28766	0.8
389.06293	0.9
397.09131	13.8
407.07532	3.8
409.05435	1.9
409.09933	1.1
415.10556	0.9
419.07593	0.9
425.08618	41.8
435.17795	0.7
476.80838	0.8
484.15747	0.7
541.10834	0.7
559.12634	1.3
577.13422	24.4
577.22009	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71641	3.2
53.03925	12.1
53.04148	2.9
55.01868	29.4
55.05507	45.1
57.03417	14.4
57.07060	3.5
59.04980	12.6
63.90306	3.1
65.03925	5.2
67.05174	5.0
67.05502	76.0
69.03431	7.4
69.07069	38.0
69.76963	19.7
71.04977	12.0
72.72657	3.8
79.05062	6.0
79.05487	72.4
81.03413	51.5
81.06583	6.1
81.07050	100.0
83.04965	18.5
83.08610	35.4
85.02903	17.7
85.06545	7.6
91.05471	81.1
93.07037	65.2
95.04965	37.8
95.08596	45.9
97.02879	7.8
97.06525	33.8
97.10149	16.1
105.07031	71.4
107.04937	32.1
107.08583	38.8
109.06493	14.0
109.10160	25.7
111.04418	7.3
111.08054	11.4
115.05417	3.7
117.06991	21.4
119.08573	56.9
121.06487	10.1
121.10155	24.9
123.04404	13.6
123.08047	8.1
123.11665	6.6
125.09612	17.1
127.03915	7.1
128.06203	4.0
129.06970	23.0
131.08568	39.3
133.06468	5.0
133.10114	33.5
135.04375	10.0
135.08031	10.9
135.11688	10.8
137.09625	4.2
139.03871	5.9
142.07809	4.3
143.08543	11.7
145.10120	26.6
147.08022	5.6
147.11681	27.6
149.02289	5.3
149.09622	30.6
151.11183	4.9
153.12753	3.2
155.08514	4.2
157.10121	19.7
159.11662	16.4
161.13217	7.2
163.03799	6.6
163.07555	4.3
163.11182	13.5
165.09192	5.2
165.12682	4.7
169.10118	5.5
171.11604	5.1
173.13274	13.1
175.11234	17.6
177.12766	4.0
183.11578	7.1
185.13298	8.6
187.11130	3.6
187.14821	4.4
189.09122	4.5
189.11215	11.4
189.12747	4.0
193.04817	3.4
193.12230	47.9
211.13257	53.8
213.14661	3.6
227.12796	19.6
239.17947	4.7
246.82832	3.9
247.05946	6.8
252.64099	3.7
257.19003	9.7
267.15854	16.9
275.20047	68.9
285.16977	32.0
287.05521	6.3
293.21057	10.3
313.28787	3.3
349.23703	36.5
409.09155	5.2
449.30557	4.4
467.30923	4.5
485.32593	3.9
525.32013	3.8
541.34924	11.1
559.36115	33.2
577.37292	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.3
55.01872	24.4
55.05507	48.4
56.64017	2.8
57.03434	18.0
57.07056	9.0
59.05008	3.0
65.03934	8.0
67.05498	100.0
69.03419	6.1
69.07058	34.9
70.50154	2.3
71.04976	11.6
71.08603	2.8
79.05487	70.1
81.03410	38.1
81.07047	91.3
83.04964	14.7
83.08608	30.1
85.02891	10.3
85.06547	4.3
91.05464	83.9
93.07034	63.8
95.04970	23.8
95.08601	53.8
97.06505	32.5
97.10156	17.9
98.98458	9.5
99.08108	5.4
103.05495	3.0
105.06313	3.8
105.07017	71.9
107.04950	23.1
107.08587	39.9
109.06490	10.4
109.10135	41.8
111.00733	2.8
111.04416	10.5
111.08078	13.6
113.05989	3.8
115.05413	3.2
117.07019	33.4
119.04929	3.4
119.08575	51.9
121.06512	9.7
121.10123	25.3
123.04416	22.2
123.08060	12.2
123.11687	4.6
125.09625	17.2
127.03915	12.1
128.06168	6.4
129.05492	4.4
129.06981	19.8
131.08540	42.3
133.06474	9.1
133.10118	35.3
135.04378	17.8
135.08028	11.9
135.11655	15.8
137.09590	9.0
137.13322	3.1
139.03906	7.8
139.11162	2.6
141.06929	6.3
143.08554	12.8
145.06461	3.4
145.10091	26.2
147.04433	4.1
147.08005	7.8
147.11674	29.6
149.02341	9.0
149.09628	16.6
149.13239	8.9
151.03914	3.8
151.07581	3.0
151.11150	5.3
153.06885	3.2
155.01038	15.6
155.08495	9.0
157.10104	21.4
159.07909	4.2
159.11658	21.0
161.09589	4.8
161.13214	15.0
163.03864	11.8
163.11168	10.9
163.14825	3.5
169.10086	7.1
171.11670	10.4
173.11826	4.4
173.13269	14.0
175.11143	11.4
175.14772	3.3
177.12805	4.0
179.14275	3.6
181.10098	4.7
183.11707	7.5
185.05983	3.6
185.13281	7.6
187.11263	3.0
187.14777	4.0
189.11261	6.3
191.14314	3.4
193.12221	21.4
195.11720	4.5
197.13187	5.6
201.12747	3.4
205.15903	5.8
209.13210	3.2
211.13249	24.6
217.14238	3.1
219.11884	3.8
219.17433	4.0
227.12611	16.2
229.14288	11.4
229.19536	3.1
245.04430	3.7
247.06062	5.0
247.20639	3.5
257.04495	4.0
257.18951	8.9
259.20529	9.1
261.22156	6.9
267.15927	9.1
271.06000	6.2
275.20053	57.0
277.21545	4.8
285.16895	22.2
287.05478	8.9
289.06946	3.6
291.19525	9.9
293.21146	9.2
315.23224	5.2
325.21524	3.4
331.22467	3.5
333.24292	4.6
335.25845	9.0
349.23813	18.7
359.07407	3.0
379.08060	3.5
387.41617	3.0
407.07510	6.2
409.09192	3.1
421.31128	3.6
449.30978	4.0
467.31223	6.4
485.32532	6.8
515.33746	4.4
523.34247	5.8
541.35333	16.3
559.36157	44.2
577.13123	3.5
577.37317	57.2
577.51746	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	577.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.6
55.01866	5.5
55.05510	36.1
57.03427	13.4
57.07082	4.1
64.60001	2.4
65.03950	5.5
67.05498	76.7
69.03396	3.6
69.07059	28.7
70.19723	4.7
70.20130	8.1
71.04981	17.0
79.05488	70.0
81.03412	18.0
81.07047	100.0
83.04985	8.6
83.08611	15.2
85.06532	7.8
91.05460	49.0
93.07030	70.2
95.04943	13.4
95.07981	3.5
95.08592	62.1
97.06511	14.2
97.10152	15.9
99.08085	4.3
105.07027	54.1
107.04956	5.6
107.08586	45.2
109.06511	5.0
109.10133	34.5
111.04482	2.9
111.08070	9.3
115.05438	3.7
116.06176	3.2
117.07015	18.2
119.08578	44.4
121.06496	3.6
121.10139	30.3
123.08072	8.0
123.11693	10.1
125.09643	12.6
128.06169	2.9
129.06987	10.9
131.08542	25.8
133.06497	3.2
133.10130	28.9
135.08046	5.7
135.11676	20.3
135.26656	3.1
137.09605	3.7
137.13214	3.2
139.11275	3.5
141.06955	4.0
143.08569	15.5
145.10107	24.4
147.11674	24.6
149.09615	6.6
149.13254	9.8
149.23460	3.1
151.07516	4.5
151.11154	3.0
155.08540	6.1
157.10101	16.4
159.11708	18.0
161.09599	3.7
161.13300	9.6
163.11107	3.3
163.14847	5.0
165.12878	3.3
169.10110	6.1
171.11722	13.3
173.13252	12.5
175.14810	6.2
177.12753	3.3
177.16336	4.0
181.10164	5.6
183.11705	9.1
185.13293	13.5
187.11101	3.4
187.14769	6.0
189.11255	9.6
193.12257	8.9
195.11717	6.4
195.13776	3.7
197.13272	8.9
199.13150	3.1
199.14828	7.2
211.14932	3.9
223.14798	2.9
227.12791	19.3
239.16422	3.8
252.27396	2.8
261.22067	7.6
267.15854	23.7
269.22577	3.3
271.20651	3.8
289.21643	4.8
299.23627	5.9
301.25238	9.8
303.22940	4.0
327.23148	3.7
333.24094	3.2
335.25739	17.1
361.27579	3.2
363.25330	8.2
398.77512	2.6
417.31339	5.3
435.32755	16.4
453.33542	18.1
471.34506	7.4
509.35941	7.5
519.37189	5.9
527.37231	59.2
528.37292	3.5
545.38348	58.4
559.39673	10.3
577.41028	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	578.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09344	0.9
55.01868	1.0
57.03410	2.5
59.04988	5.4
70.59006	3.0
71.41132	0.8
79.05465	3.4
83.04950	1.1
85.06518	2.7
91.05465	3.0
92.18448	0.7
95.04931	1.6
97.10160	1.2
101.05998	2.1
103.05430	3.1
105.07021	16.3
107.08566	1.3
115.05421	1.8
117.07013	2.3
120.05702	2.0
121.05661	1.4
121.06490	23.8
123.04388	3.0
124.13126	0.8
125.09653	2.0
127.03854	1.0
131.04927	2.7
133.06488	1.7
135.04422	0.9
135.08040	44.9
136.27562	0.9
137.05942	8.3
138.06737	13.8
139.07443	1.1
143.10657	3.2
145.06410	1.2
146.07257	6.3
147.04402	1.3
149.09615	1.4
151.07512	1.4
152.08308	1.7
153.09117	5.0
161.05963	22.2
162.06731	8.1
163.07529	46.2
177.09055	6.2
180.07767	3.8
181.35655	1.0
185.61598	0.9
195.10153	100.0
207.06520	6.0
208.07217	4.1
245.11693	4.0
285.14899	1.0
308.12491	5.7
381.49823	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	1.1
55.01870	1.2
55.05492	3.1
57.03409	1.2
57.07064	1.1
57.80167	1.0
59.04996	48.5
60.11126	0.9
67.05481	1.8
71.04965	3.4
71.23045	2.8
71.54939	0.9
72.43739	0.9
79.05466	2.7
83.04974	1.5
85.06535	7.4
86.80371	1.2
91.05466	3.9
92.84821	1.2
95.04962	2.4
101.05993	1.6
103.05482	2.4
105.07018	8.8
107.08555	4.7
109.10133	1.3
119.08537	1.3
121.06493	10.1
123.08056	2.3
125.09596	5.0
131.04909	2.9
133.06467	1.5
134.03603	1.2
135.07108	1.4
135.08051	14.8
137.05966	2.3
139.07510	2.7
143.10655	4.2
145.06427	1.2
146.07246	4.6
147.04417	2.9
148.05197	1.2
149.05963	12.1
151.07503	9.1
155.10622	1.1
158.07220	1.3
161.05966	100.0
162.06703	3.1
163.07530	31.8
164.08195	1.2
165.09026	2.1
167.07091	2.5
173.09634	1.3
174.06631	1.2
175.07526	3.2
175.28255	1.1
177.05429	2.5
177.09074	5.8
178.09886	2.4
179.07048	6.6
179.10611	1.2
188.08278	1.2
189.05444	8.8
189.09105	3.3
193.08591	3.3
194.09372	18.1
195.10161	6.5
197.06030	1.4
201.08997	1.4
203.07014	1.8
203.10536	1.4
205.08592	3.3
207.06493	9.1
217.12172	2.0
219.10146	1.4
221.08064	3.1
227.10667	5.2
229.08522	1.4
245.11665	12.0
258.23154	1.1
275.19760	1.2
285.14777	2.6
290.11514	3.0
321.16977	16.2
349.64410	1.1
381.66016	1.0
398.25629	1.1
421.20486	1.2
579.10620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1495
Annotation	Procyanidin B1
Peak:m/z	Relative Intensity
55.01864	1.8
65.03946	0.8
67.05494	0.9
68.99469	0.6
68.99771	3.3
70.78985	0.7
71.04079	1.7
81.03401	2.2
82.62439	0.6
91.05462	1.0
93.03376	0.8
93.31364	0.6
94.95577	0.6
95.04968	0.8
99.04479	0.9
103.05489	0.7
105.03370	0.9
107.04961	3.6
109.02863	2.4
111.00797	2.2
111.04430	3.0
119.04963	1.2
121.02836	1.5
123.04419	40.5
127.03906	100.0
131.04947	1.5
135.03389	1.5
135.04402	25.1
137.02312	3.8
139.03886	51.2
140.04224	0.8
141.07014	0.8
147.04384	5.0
149.02332	4.4
149.05980	1.6
151.03880	10.4
159.04407	2.4
161.05957	3.2
163.03893	34.4
165.05470	6.7
167.03409	7.6
169.06400	0.6
173.05901	3.8
175.03908	3.9
175.07581	0.8
177.05524	3.9
179.03392	2.7
179.07114	0.8
183.04387	1.0
187.03819	6.5
189.05440	2.2
191.03371	12.6
193.04964	3.0
197.04298	0.8
197.05925	3.1
201.05461	5.2
203.03409	7.6
203.07033	1.4
205.04932	3.3
213.05507	1.7
215.03349	2.0
215.06985	3.5
217.05005	1.8
225.05460	1.2
226.20747	0.7
229.04955	7.9
231.06610	2.1
233.04434	5.4
241.04997	1.7
242.71394	0.7
243.06554	3.7
245.04417	6.7
247.05994	18.3
251.05539	1.5
255.06580	2.2
257.04404	11.6
258.05249	0.9
259.05960	9.8
269.04443	2.3
271.06003	20.8
271.08820	1.4
273.07550	1.4
275.05490	18.0
276.05988	1.0
283.06012	7.8
285.07578	0.7
287.05475	22.5
288.05896	0.9
289.07043	13.2
291.08600	10.9
297.07697	0.8
299.05496	4.5
301.07095	14.3
303.08731	1.2
311.05606	1.0
333.09534	1.0
391.08121	0.9
409.09134	26.7
410.09595	0.8
411.10690	2.5
421.09076	0.8
427.10202	6.5
435.10806	0.8
439.10321	1.3
453.11786	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1489
Annotation	Procyanidin B5
Peak:m/z	Relative Intensity
50.50623	0.6
53.03939	1.0
55.01857	1.6
63.03458	0.7
65.03962	0.7
67.05491	0.8
68.99778	5.6
69.03384	0.7
70.81776	0.9
70.82111	1.2
79.05468	0.8
81.03400	2.5
89.03888	0.7
93.03363	0.9
95.04971	1.0
99.04453	1.1
103.05481	0.8
105.03374	1.3
107.04961	3.2
109.02853	3.0
111.00795	2.7
111.04430	2.3
119.04973	1.1
121.02859	1.4
123.04411	35.6
127.03901	100.0
130.63292	0.6
131.04886	1.3
135.04401	30.9
137.02324	2.4
139.03885	45.5
140.19783	0.7
141.06970	0.8
143.04933	0.9
147.04398	6.4
149.02341	4.2
149.05919	1.4
151.03883	8.5
155.04999	0.7
159.04416	2.5
161.05966	2.5
163.03893	33.4
165.05455	4.6
167.03387	7.5
169.06453	1.5
173.05981	2.6
175.03949	2.5
177.05426	3.8
179.03380	2.7
183.04401	1.4
185.05956	1.2
187.03860	5.8
189.05461	2.8
191.03400	11.6
193.04936	3.1
197.05963	3.6
201.05446	5.3
203.03346	8.3
203.07065	1.5
205.04817	3.1
207.06415	1.6
213.05496	1.5
215.03427	1.4
215.06883	3.1
217.04898	1.4
225.05553	1.5
229.04918	5.6
231.06590	2.0
233.04395	6.8
241.04945	2.8
243.06557	4.9
245.04448	5.4
247.05972	12.2
251.05432	1.6
253.04900	1.2
255.06516	1.9
257.04425	10.3
259.06055	4.7
269.04468	2.7
271.05997	15.7
273.07419	0.9
275.05490	9.7
283.05969	6.3
287.05463	18.0
289.07047	7.5
291.08640	7.8
294.21829	0.7
299.05383	2.6
301.07004	5.8
303.08398	0.6
361.40918	0.7
362.93173	0.8
368.30374	0.8
409.09143	15.2
411.10770	1.5
427.10217	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	579.1492
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
52.11433	0.7
53.03939	0.9
55.01871	1.3
58.60950	0.8
60.00553	0.8
66.15987	0.6
66.37888	0.7
68.99799	4.3
70.07140	3.4
76.32647	0.7
79.05483	0.8
81.03417	1.8
81.59154	0.7
87.40056	0.7
95.05015	1.3
99.04452	1.3
107.04958	3.0
109.02893	2.4
111.00801	2.2
111.04428	3.1
119.04962	2.0
121.02884	1.2
123.04422	43.3
127.03909	100.0
128.04306	1.4
131.04916	2.3
135.04407	28.5
137.02335	3.4
139.03891	52.5
140.04243	1.0
145.06424	0.8
147.04408	6.9
149.02328	3.4
149.05974	1.7
151.03891	10.2
159.04430	1.9
161.05948	4.4
163.03905	34.2
164.04192	0.8
165.01851	1.0
165.05469	8.7
167.03372	6.1
169.04924	0.8
169.06485	1.6
172.10179	0.7
173.06017	2.2
175.03941	2.3
177.05447	2.2
179.03381	2.1
179.06926	0.8
181.06427	1.3
187.03900	4.9
189.05452	2.6
189.68602	0.7
191.03381	8.6
193.04988	3.2
197.05959	2.7
201.05453	5.3
203.03456	5.7
203.07034	1.7
205.04950	3.2
207.06496	1.4
213.05492	1.1
215.03448	1.2
215.07074	1.8
217.04956	1.8
229.04958	5.8
231.06541	2.4
233.04474	4.1
234.44740	0.7
243.06528	4.9
245.04428	5.3
247.06009	14.8
251.05589	1.8
253.04916	1.3
255.06612	1.8
257.04477	9.3
259.06033	7.7
269.04446	2.1
271.06000	17.0
273.07739	1.3
275.05527	15.9
283.06000	5.4
287.05441	18.4
289.07034	13.6
291.08636	17.6
299.05557	2.9
301.07080	9.6
303.08676	2.1
409.09204	17.4
411.10739	1.6
421.09052	1.3
427.10141	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	579.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01865	1.4
60.71967	0.5
65.03926	0.7
67.05517	0.7
68.99780	4.4
69.25068	5.3
77.03895	0.6
81.03399	2.3
89.03884	0.9
91.05446	0.7
95.04932	1.4
99.04443	0.9
105.03358	1.3
107.04961	3.5
109.02871	2.3
111.00797	1.9
111.04428	2.4
115.05421	0.7
117.03346	0.9
119.04917	1.6
121.02829	1.5
123.03734	0.9
123.04416	41.1
127.03902	100.0
131.04910	1.6
135.04404	26.0
137.02350	2.2
139.03885	47.1
141.06950	0.7
143.04868	0.8
143.27988	0.6
147.04382	6.4
149.02289	3.7
149.05930	0.7
151.03871	7.0
159.04366	3.0
161.05994	3.3
163.03889	33.4
165.05476	5.8
167.03389	5.4
167.92404	0.6
169.06491	0.9
173.05965	2.6
175.03912	2.6
177.05479	3.2
179.03418	3.3
181.04985	0.6
181.06529	0.9
182.07240	0.6
183.04436	0.7
185.05980	1.4
187.03867	5.7
187.07559	0.7
189.05499	2.1
191.03369	8.6
193.04941	3.2
197.05977	3.0
201.05460	5.7
203.03357	7.5
203.07056	2.2
205.04956	3.0
207.06514	1.0
213.05463	1.2
215.03456	0.9
215.07001	1.6
217.04881	1.2
225.05563	0.7
227.03668	0.6
227.07182	0.7
229.04921	7.0
231.06548	1.2
233.04515	5.0
241.04857	1.3
243.06493	4.0
245.04477	4.8
247.06024	11.8
251.05421	1.2
253.04959	1.2
254.42247	0.6
255.06601	1.0
257.04416	8.4
258.05118	1.3
259.05984	7.5
269.04385	2.1
271.05972	19.3
273.07599	1.5
275.05457	16.2
283.05972	6.8
287.02197	1.0
287.05484	21.2
289.07034	13.5
291.08594	14.5
299.05435	3.6
301.07074	12.4
303.08621	1.9
311.05350	0.7
397.18005	0.6
409.09155	23.6
410.10117	0.7
411.10822	3.2
421.08954	1.2
427.10318	6.9
428.97412	0.7
435.10446	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.149
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
50.04020	1.1
54.32932	1.2
55.94136	1.2
60.16148	1.2
61.90962	1.2
65.03920	1.7
67.05510	1.2
68.99789	3.4
70.07029	4.4
70.07447	2.8
72.56872	1.5
81.03410	2.1
89.03864	1.3
91.05420	1.3
93.03360	1.8
93.13175	1.2
94.69596	1.3
95.04951	1.5
104.00579	1.2
105.03381	1.4
107.04976	2.8
109.02876	1.8
111.00781	2.1
111.04427	2.6
114.40905	1.2
119.04916	3.8
121.02870	2.2
123.04411	84.5
127.03899	100.0
127.55653	1.4
131.04881	2.0
135.04384	26.6
137.02319	2.9
139.02795	2.3
139.03879	35.9
143.04913	2.0
147.04376	13.0
149.02325	3.1
149.05983	1.7
151.03931	6.0
159.04408	3.5
161.05992	4.4
163.03885	38.1
165.05473	8.8
167.03400	4.1
169.06534	2.6
173.05963	2.8
175.03807	2.9
177.05475	4.4
179.03423	5.5
183.04382	1.3
185.05994	1.9
187.03847	5.8
189.05505	3.9
191.03366	9.0
193.04962	4.6
197.05975	4.0
201.05452	5.4
203.03339	11.3
203.06979	1.3
205.04926	3.2
207.06519	1.7
213.05435	2.7
215.06943	2.1
217.04973	3.4
225.05486	2.0
229.04854	6.9
231.06374	1.6
233.04405	3.2
241.04892	2.7
243.06458	5.8
245.04414	12.7
247.05974	17.2
255.06566	3.6
257.04388	13.3
258.05338	1.6
259.06036	5.9
269.04599	2.9
271.06015	19.8
273.07660	1.3
275.05469	15.8
283.06128	4.5
285.07498	2.5
287.05447	32.1
289.07043	12.4
291.08691	11.0
299.05466	8.3
301.07034	9.0
303.08847	2.7
378.27670	1.2
396.38321	1.4
409.09128	27.0
410.09299	2.1
411.10611	3.8
421.09204	2.2
427.09961	4.9
434.00912	1.5
435.10611	3.9
439.10110	3.4
451.32681	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1488
Annotation	Epicatechin-(4beta->8)-ent-epicatechin
Peak:m/z	Relative Intensity
55.01866	2.4
63.61499	1.3
68.99777	5.3
71.19674	1.8
89.03924	1.4
95.04972	1.9
107.04941	2.8
109.02864	2.9
111.00755	2.1
111.04420	3.7
118.79527	1.0
119.04939	1.9
121.02813	1.2
123.04421	60.0
127.03901	100.0
131.04877	2.2
133.92342	1.1
135.04390	28.8
137.02322	5.2
139.03886	72.3
147.04370	8.6
149.02327	4.5
149.06058	2.4
151.03879	18.1
155.04919	1.4
159.04393	2.1
161.05951	5.2
163.03888	41.1
165.05476	8.1
167.03329	7.3
169.01498	1.4
169.06473	1.5
173.05960	3.4
175.03854	3.4
177.05455	4.4
179.03409	3.2
187.03798	6.0
189.05412	2.2
191.03372	14.6
193.04993	4.0
197.05975	3.0
200.04330	1.4
201.05421	10.0
203.03404	12.4
203.06966	2.4
205.04948	2.3
207.06464	1.2
213.05518	2.6
215.06898	2.8
217.05008	2.1
229.04930	8.0
231.06535	2.5
233.04427	8.6
241.04889	1.6
243.06577	5.5
245.04440	9.9
247.06001	28.9
251.05540	2.0
255.06584	2.3
257.04404	17.3
259.05984	14.9
269.04437	4.4
271.05981	22.8
273.07437	1.7
275.05469	22.5
283.05978	10.1
285.07596	1.5
287.05457	37.1
289.06998	10.9
291.08591	13.5
299.05536	6.2
301.07025	17.8
303.08551	3.2
311.05463	1.6
323.09274	1.6
409.09171	30.4
411.10620	2.2
421.09036	2.7
427.10324	7.0
435.10193	1.6
439.10138	2.8
528.70117	1.2
591.02167	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1493
Annotation	Kaempferol 3-(2''-(Z)-p-coumaroylrhamnoside)
Peak:m/z	Relative Intensity
53.03948	1.3
55.01858	1.0
55.05497	2.9
59.04971	0.7
65.03928	2.1
67.05491	2.4
68.99792	1.1
69.03421	5.0
69.07049	3.7
71.53221	1.4
74.09708	0.8
79.05474	2.8
81.03404	2.3
81.07047	5.5
83.04972	4.9
83.08613	1.4
85.02897	1.9
86.63137	0.7
90.82397	0.9
91.05469	12.2
93.07063	3.9
95.04971	2.9
95.08594	3.7
97.06514	1.7
103.05447	1.8
105.07021	3.5
107.04936	3.5
107.08546	3.7
109.02872	1.6
109.06493	1.4
109.10138	2.8
111.00730	0.8
111.04443	5.6
115.05450	1.2
117.06976	1.4
119.04932	28.4
119.08556	2.2
121.02851	3.0
121.06538	1.2
121.10128	2.7
123.04429	7.6
123.11675	1.8
127.03903	10.1
131.04935	4.7
132.05339	0.8
133.06473	1.1
133.10114	1.3
135.04405	3.5
135.08032	0.9
135.11661	1.9
137.05977	2.1
139.03880	5.7
141.98094	0.7
145.06491	2.6
145.10120	1.0
147.04398	100.0
147.11710	1.0
148.04703	1.5
149.02296	0.8
149.06026	1.1
149.13258	2.0
151.03894	2.6
151.07610	2.0
151.11122	0.8
153.01834	1.0
153.05449	0.9
159.04486	1.2
161.05998	1.7
163.03949	4.8
163.07570	1.0
165.05461	3.2
167.03381	0.9
167.07031	7.1
173.05986	1.8
175.03937	2.0
175.07556	1.8
177.05481	2.3
181.04938	3.9
187.03847	1.2
191.03310	1.3
191.07028	2.2
193.08650	1.0
195.10075	0.8
197.06149	1.3
201.05472	1.0
203.03534	1.3
203.10529	0.8
207.06451	2.3
213.05360	0.9
213.09030	1.3
217.08699	0.8
229.04913	1.9
245.04356	1.1
247.05994	2.6
257.04431	1.7
257.08417	0.9
259.05930	0.9
271.05954	1.4
272.76932	0.7
275.05426	1.1
283.06155	2.2
287.05466	10.4
289.06934	0.9
291.08640	1.8
293.10159	5.8
299.05511	5.7
300.06152	1.3
301.10718	1.1
305.24673	1.4
311.05435	3.2
311.08600	0.8
313.07388	1.0
325.07199	1.0
329.06537	6.3
353.06512	2.3
379.07907	1.5
397.09100	3.0
409.09192	2.6
415.10159	2.5
417.18881	1.8
427.17361	2.7
433.11337	1.8
449.28870	0.9
459.06934	0.8
475.10367	0.9
531.05011	0.8
547.19580	4.5
579.11896	6.7
579.22028	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1703
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
50.49060	0.2
53.03936	0.3
55.01850	0.2
57.97458	0.2
71.04967	0.7
71.52533	0.4
71.52883	0.2
73.03860	0.2
81.03430	0.3
81.06995	0.2
85.02901	1.1
87.04403	0.3
89.54041	0.2
91.05453	0.3
95.04948	0.4
103.18792	0.2
107.04903	0.4
109.02889	0.4
111.04448	0.4
121.02851	2.9
123.04415	1.8
127.03889	1.8
131.08516	0.3
135.04384	0.7
137.02328	0.3
139.03868	1.7
141.06927	0.4
145.06474	0.8
147.04341	0.5
149.02353	0.5
151.03879	0.7
163.03880	0.8
165.05519	0.3
167.06995	0.9
169.06467	0.6
173.05946	0.6
178.76520	0.3
181.04900	0.8
187.03831	0.3
187.07481	0.3
191.03481	0.4
197.05981	0.7
203.03386	0.4
215.06976	0.8
221.08144	0.3
225.05417	0.5
226.06123	0.3
242.05734	0.2
243.06458	0.5
243.90109	0.2
244.63190	0.2
245.04456	0.3
247.05812	0.4
257.04468	0.5
257.07031	0.2
259.06064	0.3
271.05984	100.0
272.06323	1.6
279.08521	0.4
287.05392	1.4
289.06821	0.4
291.08765	0.5
301.07108	0.3
356.43271	0.3
409.09076	0.8
417.11038	0.3
427.09982	0.3
433.11151	1.7
579.16711	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	579.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
53.16322	0.7
55.01862	4.1
55.05313	0.9
55.05511	10.7
57.03434	4.7
57.07052	3.3
59.04971	1.4
65.03926	2.5
67.05499	71.1
69.03414	4.0
69.07059	11.8
69.25778	2.4
69.26201	6.9
71.04986	2.5
71.08598	1.9
73.02917	4.1
75.04467	1.4
77.03909	1.1
79.05487	37.3
80.53696	0.9
81.03412	6.1
81.07050	75.2
83.04955	2.6
83.08614	7.4
85.02881	3.9
85.06522	3.0
91.05470	20.4
93.07036	51.8
95.04968	4.1
95.08598	61.1
97.02883	2.9
97.06521	4.0
97.10159	3.3
98.20686	1.8
99.04430	4.2
99.08094	1.0
105.07029	19.3
107.04949	1.6
107.08589	33.8
109.02867	7.3
109.06487	2.3
109.10149	32.9
110.03657	4.4
111.04428	4.0
111.08069	2.1
115.05382	1.4
117.07011	9.8
119.08574	14.3
121.10135	29.6
123.04440	1.9
123.08052	0.9
123.11707	19.6
125.09653	1.8
127.03890	7.4
128.06172	1.1
129.06984	2.1
131.08563	22.5
132.99548	1.9
133.10124	12.6
135.04399	2.2
135.10684	1.8
135.11681	25.6
137.09563	1.7
137.13248	8.4
139.03864	2.3
139.11179	2.0
143.08548	1.5
145.10097	15.5
147.11670	10.2
149.09633	1.0
149.13239	15.6
151.11142	1.8
151.14825	1.5
153.12711	1.0
157.10196	1.5
159.11699	15.1
161.13222	10.4
163.14804	11.5
165.12695	2.7
171.07968	1.1
171.11646	1.6
173.13255	14.8
175.14819	3.7
177.12819	1.4
177.16360	5.2
179.11916	1.0
179.14273	1.2
187.14847	8.0
191.00069	3.5
191.14311	1.5
197.13239	0.9
201.16315	2.6
205.15866	1.1
209.01015	1.1
215.18050	1.4
219.17328	1.0
233.18958	1.3
233.22658	4.1
237.18549	1.1
243.21059	27.7
257.04303	1.4
261.22119	100.0
262.22403	1.7
263.23605	1.7
273.94601	0.9
277.21851	0.9
279.23087	7.2
287.05441	1.3
288.53781	1.0
289.21878	1.1
303.23172	2.0
317.24838	1.5
335.25769	16.2
353.26849	76.4
354.27151	1.1
369.24124	2.8
377.26596	2.6
389.26935	1.0
443.27802	2.7
451.21323	2.6
469.22171	2.2
487.23276	1.2
507.24362	1.1
561.27246	6.1
579.11115	2.6
579.28284	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67058	1.3
53.76629	1.1
55.05502	3.2
57.07059	2.1
67.05524	1.3
69.07077	2.9
70.72481	3.7
79.05479	1.9
81.07054	1.4
83.04948	2.3
83.08628	2.3
105.73054	1.5
107.04945	48.3
133.25417	1.2
135.08028	1.6
143.72633	1.3
147.04372	3.1
151.07504	1.7
175.07610	6.1
191.07018	10.5
203.07057	6.3
209.09665	1.4
227.10681	3.7
228.07912	1.7
238.09842	2.8
239.01686	1.4
240.07761	2.6
254.09140	2.2
255.10144	2.5
264.07745	1.6
279.10184	1.6
297.11200	100.0
298.11334	1.8
337.14276	1.6
561.39056	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	580.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01844	1.6
55.05495	7.2
55.56307	1.4
57.03420	2.9
57.50341	1.8
60.04515	5.1
61.02916	4.0
65.03900	1.5
67.05498	23.0
69.03407	9.8
69.07065	6.7
71.04966	2.2
71.14229	3.5
77.05129	1.6
79.05488	11.1
80.73814	1.5
81.03395	7.3
81.07043	45.7
83.04978	1.4
83.08623	2.4
85.02891	33.6
91.05463	14.2
93.07030	22.3
95.04973	4.0
95.08591	52.7
97.02873	10.8
97.06505	2.0
99.04434	2.4
103.05426	2.2
105.07014	39.1
107.04929	2.9
107.08576	39.4
109.02863	5.2
109.06512	1.5
109.10143	40.9
117.06993	2.7
119.04925	4.2
119.08563	31.2
119.71619	1.4
121.06458	2.1
121.10115	18.2
123.04433	8.0
123.11691	9.5
127.03891	22.3
128.04243	2.8
131.04887	1.8
131.08537	3.3
133.10101	19.8
135.04388	4.7
135.11646	8.5
136.04747	1.8
137.05972	2.2
139.03877	9.7
145.02831	2.6
145.04910	9.9
145.10071	2.8
147.04388	8.9
147.11679	42.0
149.13277	1.7
151.11226	1.7
159.04285	1.6
159.11644	2.4
161.05948	1.7
161.13252	14.7
163.03894	5.0
163.06047	2.8
163.07484	2.0
163.14786	16.8
167.06999	3.4
171.11688	1.5
175.03926	2.0
175.14795	6.1
177.05452	7.7
181.04912	2.2
189.12791	4.0
191.03481	2.5
191.07027	1.9
193.04994	1.5
203.17931	100.0
207.06494	4.3
221.19069	4.6
259.05927	1.8
272.06281	2.0
314.26880	2.1
332.27817	3.7
580.22699	1.9
580.33112	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	580.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01844	1.6
55.05495	7.2
55.56307	1.4
57.03420	2.9
57.50341	1.8
60.04515	5.1
61.02916	4.0
65.03900	1.5
67.05498	23.0
69.03407	9.8
69.07065	6.7
71.04966	2.2
71.14229	3.5
77.05129	1.6
79.05488	11.1
80.73814	1.5
81.03395	7.3
81.07043	45.7
83.04978	1.4
83.08623	2.4
85.02891	33.6
91.05463	14.2
93.07030	22.3
95.04973	4.0
95.08591	52.7
97.02873	10.8
97.06505	2.0
99.04434	2.4
103.05426	2.2
105.07014	39.1
107.04929	2.9
107.08576	39.4
109.02863	5.2
109.06512	1.5
109.10143	40.9
117.06993	2.7
119.04925	4.2
119.08563	31.2
119.71619	1.4
121.06458	2.1
121.10115	18.2
123.04433	8.0
123.11691	9.5
127.03891	22.3
128.04243	2.8
131.04887	1.8
131.08537	3.3
133.10101	19.8
135.04388	4.7
135.11646	8.5
136.04747	1.8
137.05972	2.2
139.03877	9.7
145.02831	2.6
145.04910	9.9
145.10071	2.8
147.04388	8.9
147.11679	42.0
149.13277	1.7
151.11226	1.7
159.04285	1.6
159.11644	2.4
161.05948	1.7
161.13252	14.7
163.03894	5.0
163.06047	2.8
163.07484	2.0
163.14786	16.8
167.06999	3.4
171.11688	1.5
175.03926	2.0
175.14795	6.1
177.05452	7.7
181.04912	2.2
189.12791	4.0
191.03481	2.5
191.07027	1.9
193.04994	1.5
203.17931	100.0
207.06494	4.3
221.19069	4.6
259.05927	1.8
272.06281	2.0
314.26880	2.1
332.27817	3.7
580.22699	1.9
580.33112	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	581.1498
Annotation	Leucoside
Peak:m/z	Relative Intensity
53.03934	0.6
55.01860	0.8
57.03419	1.9
61.02899	1.2
69.03419	2.4
71.52358	0.6
73.02915	7.8
81.03406	0.8
85.02901	4.5
87.04454	0.6
91.05435	0.5
97.02874	2.9
105.07008	0.4
107.04937	0.5
109.02853	0.7
111.00786	0.6
115.03898	1.4
121.02842	2.2
123.04437	2.8
124.04743	0.8
127.03926	3.6
128.04242	0.8
129.04323	0.4
133.02859	0.7
133.04993	1.2
135.04364	0.8
137.02353	0.6
137.05888	0.6
139.03868	2.9
140.04172	0.5
140.94019	0.4
145.04967	0.9
147.04396	1.2
151.03918	0.6
153.01830	2.1
163.03922	0.5
165.01828	1.3
167.06992	1.1
183.02966	0.5
185.05899	0.4
193.05061	0.4
213.05450	1.3
241.04938	0.6
247.06010	0.5
258.05231	1.1
259.05865	0.8
287.05478	100.0
288.05762	1.7
303.04675	0.6
329.06522	0.5
389.15448	0.6
401.16098	1.0
411.10159	0.8
432.68536	0.4
449.10788	14.6
454.03824	0.4
581.20367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1495
Annotation	NSC641260
Peak:m/z	Relative Intensity
57.03419	2.4
65.07839	0.5
69.03419	8.8
69.24617	6.2
81.03400	0.6
85.02898	7.2
87.04457	3.5
90.72560	0.5
97.02881	5.4
98.20777	1.0
105.03394	0.8
107.04945	4.4
109.02882	0.7
111.00806	0.9
115.03918	4.5
116.91954	0.5
121.02850	2.4
123.04419	0.8
127.03895	1.4
133.04964	4.2
137.02351	1.3
137.05907	0.6
139.03989	0.5
145.04938	0.7
147.04410	1.0
153.01794	2.3
165.01849	1.5
183.02827	0.9
196.40793	0.6
213.05437	1.4
241.04788	0.6
259.06000	0.9
287.05472	100.0
288.05865	2.2
299.05701	1.3
303.05087	0.7
329.06470	1.6
449.10666	0.9
462.12494	0.6
497.06760	0.6
497.14105	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.4
55.05496	31.5
57.03423	16.8
67.05496	68.5
68.01043	6.8
69.07046	34.8
70.12649	6.4
70.72302	17.2
70.72646	10.8
79.05482	38.8
81.03403	60.9
81.07050	81.0
83.04963	21.2
83.08593	36.1
85.02879	24.5
91.05455	34.0
93.07024	30.7
95.04942	23.4
95.08579	49.1
97.10154	12.1
103.80183	8.0
105.07013	31.5
107.04922	9.6
107.08549	14.8
109.10143	16.8
111.08076	10.0
119.08559	29.1
121.10125	17.4
129.06982	7.9
131.08524	15.9
133.10112	23.9
147.11620	18.3
157.10077	17.6
175.11121	13.1
191.98151	7.4
193.12239	68.8
204.24556	7.2
211.13313	78.0
263.23563	14.9
267.15918	23.6
285.16995	93.1
337.27271	100.0
517.15894	8.1
529.38623	15.1
547.39844	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86951	0.4
53.03926	0.4
55.05504	0.5
63.36584	0.4
65.03922	1.6
67.05503	0.8
69.03408	1.2
69.07063	0.9
71.52549	0.8
77.23221	0.4
79.05479	1.6
81.03384	1.2
81.07051	1.4
81.45464	0.4
83.04978	0.8
84.21493	0.5
85.02899	1.5
89.03888	0.4
91.05480	2.7
93.07036	1.0
94.04172	2.3
95.04932	1.0
95.08588	1.1
97.02869	0.6
97.06512	0.6
103.05461	0.7
103.37873	0.4
105.07001	1.6
107.04937	2.6
107.08566	1.2
110.03621	0.5
115.05428	2.5
117.07011	2.7
119.04925	1.5
119.08560	1.1
121.02852	0.4
121.06471	1.0
121.10118	0.6
122.03633	7.4
123.04383	2.0
124.05188	0.7
125.05966	0.5
128.06207	0.5
129.07014	0.5
131.04906	1.0
133.02849	0.4
133.10133	0.5
135.11642	0.5
137.05959	100.0
138.06294	0.7
143.04907	4.4
145.02916	0.5
145.06511	2.7
145.07468	0.5
147.04404	2.5
149.06006	0.8
151.03899	4.3
151.07526	1.3
155.05975	0.9
156.94963	0.4
160.05176	0.7
161.05959	1.0
165.05464	0.7
167.07016	16.1
168.07449	0.8
171.04321	0.5
171.06664	0.6
173.05949	3.1
175.07489	1.5
177.05432	2.9
177.09032	0.5
178.05833	0.7
181.04938	14.1
181.08484	0.6
187.07571	0.5
203.07011	1.8
205.08571	2.7
207.06433	0.7
221.08070	0.5
230.57120	0.4
231.06436	3.2
232.06779	2.2
233.08060	1.4
235.09641	1.8
248.08109	0.5
277.08615	0.6
293.07907	0.7
355.11780	1.6
357.13278	10.4
387.14322	46.7
388.14368	0.7
399.16064	0.6
445.15735	0.4
535.19403	0.5
553.20526	0.6
583.21320	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	583.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.7
55.01873	3.8
55.05503	27.8
57.03440	11.2
62.37500	2.2
65.03957	3.6
67.05499	100.0
69.03426	19.7
69.07071	7.8
71.04981	7.2
71.52970	3.3
71.53364	2.4
79.05481	19.6
81.03411	93.4
81.07044	33.7
83.04987	18.9
83.08617	21.7
85.02901	21.9
85.06532	2.7
91.05471	30.3
93.07029	14.7
95.04964	25.4
95.08597	16.8
97.02890	10.5
97.06518	3.8
97.10168	13.4
99.04420	5.3
105.07028	19.5
107.04968	8.2
107.08584	13.5
109.02866	16.8
109.06511	4.8
109.10146	57.9
111.04440	13.2
111.08086	10.2
113.06072	3.4
117.07012	5.7
119.04927	3.6
119.08583	16.3
121.10150	8.3
123.04418	6.9
123.08036	3.5
125.09621	12.6
127.03915	10.0
129.07014	7.1
131.08569	8.6
133.06474	5.5
133.10141	6.8
135.04491	2.6
137.06007	2.6
137.09605	3.0
143.08531	3.0
145.10104	4.2
147.04399	6.3
147.11676	12.7
149.09671	2.8
150.51976	2.0
151.07555	7.2
155.10669	2.8
157.10138	7.8
159.11627	2.9
161.05899	2.2
165.05598	2.7
165.09097	4.2
165.12711	4.9
173.11729	19.1
175.11137	12.6
181.05000	4.3
181.12314	2.3
189.11261	6.7
191.10768	3.7
191.65636	2.3
193.12213	31.0
211.13271	47.7
227.12865	7.7
229.14308	18.4
235.13367	5.3
245.73149	2.2
249.14882	2.8
267.16034	10.0
277.14493	5.2
285.17126	4.5
299.14938	10.5
301.14407	4.6
309.17059	3.7
319.15427	4.7
351.18045	2.7
355.17450	12.6
373.18723	3.8
421.26016	4.4
439.26898	17.0
455.26248	2.5
463.27173	4.4
505.27972	5.9
547.29254	3.3
565.30072	8.6
583.31158	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70062	1.1
53.03934	4.3
55.05507	11.2
57.07071	8.3
57.87342	1.1
59.04985	3.2
61.53538	1.3
65.03928	4.1
67.05501	19.9
69.03416	8.2
69.07060	16.5
71.44253	2.5
77.03936	2.5
79.05484	24.3
81.03397	1.2
81.07045	28.5
83.04986	6.3
83.08620	6.2
85.06513	5.6
91.05467	39.0
93.07034	53.7
95.04954	10.1
95.08599	33.8
97.06512	4.7
103.05449	2.8
105.07021	63.5
107.08582	40.9
109.06499	9.1
109.10145	17.1
111.08055	2.4
111.92232	1.2
115.05444	4.2
116.06268	2.3
116.33624	1.0
117.07011	16.1
119.04936	1.7
119.08568	73.7
121.06508	5.6
121.10127	40.3
122.07276	1.2
123.08050	16.9
123.11707	6.0
125.06042	2.9
128.06192	10.0
129.07010	12.3
130.07755	5.9
131.08554	28.8
133.06494	3.9
133.10114	33.8
133.11079	2.1
134.91917	1.2
135.08038	11.5
135.11659	12.5
137.09604	11.8
139.11215	2.2
141.06958	9.6
142.07770	21.7
143.08539	35.8
144.09358	7.2
145.06511	1.2
145.10107	47.8
147.08020	18.9
147.11676	12.9
149.09578	6.4
149.13275	3.2
151.07529	15.6
151.11189	1.7
153.06993	4.0
154.07765	2.7
155.08525	15.8
156.09322	19.5
157.10104	45.7
158.09698	1.9
158.10899	7.4
159.08063	3.7
159.11679	22.8
160.08824	1.5
161.09590	6.3
161.13269	8.3
163.11197	5.0
165.07016	7.6
165.09087	39.2
166.07739	2.6
167.08557	9.5
167.10655	9.4
168.09306	7.5
169.10114	24.9
170.10890	9.2
171.07988	1.3
171.11681	28.4
172.12421	1.8
173.09593	3.7
173.13242	22.3
175.11224	4.5
175.14810	6.6
175.47366	1.2
177.12671	1.7
179.08519	13.4
180.09312	7.9
181.10120	15.6
181.12204	7.2
182.10928	8.5
183.11678	28.2
184.12474	4.7
185.09636	1.8
185.13220	17.3
187.11203	3.5
187.14821	7.6
189.12766	7.2
191.08528	3.1
191.14270	7.3
192.09319	5.7
193.10117	15.2
193.15700	1.3
194.10881	11.9
195.11690	21.3
195.13649	2.2
196.12534	6.2
196.14124	1.4
197.13231	21.1
199.11151	1.9
199.14810	17.4
201.12794	3.4
201.16344	3.1
203.08495	1.4
203.14288	14.4
205.10143	4.6
206.10893	9.2
207.11713	17.9
207.13812	6.8
208.12431	8.7
209.13257	24.0
209.15199	1.7
210.14006	2.9
211.11095	1.7
211.14781	14.2
212.15692	1.8
213.12852	1.6
213.16388	3.2
215.08629	1.2
215.14330	2.9
217.10168	5.0
217.15804	8.3
218.10883	3.8
219.11650	7.0
220.12543	5.8
221.13255	16.5
221.15395	67.1
222.14021	4.6
223.14795	13.1
224.15620	2.7
225.12837	2.4
225.16399	5.9
227.14311	2.4
229.15904	1.4
230.11188	1.4
231.11693	5.2
231.13832	1.8
231.17346	3.6
232.12553	5.6
233.13234	10.6
233.15413	4.6
234.14040	3.9
235.14796	8.9
236.15504	2.9
237.12766	2.3
237.16365	8.6
238.17088	1.6
239.14256	2.2
239.17932	4.6
241.15834	2.2
244.12433	2.6
245.13194	7.0
246.11610	1.2
246.14044	5.3
247.14871	8.7
247.16975	2.6
248.15553	5.1
249.16304	9.0
250.17117	1.7
251.17847	5.7
253.15721	1.2
253.19601	2.3
255.17393	2.1
256.12457	1.6
257.13245	3.6
257.19034	7.8
258.14148	2.3
259.14819	4.7
260.15607	3.9
261.16315	8.9
261.18744	1.4
262.17081	1.9
263.17853	5.9
265.19516	6.5
267.17447	1.6
269.19098	4.8
271.14740	1.8
271.20523	3.3
273.16345	4.6
274.17126	2.2
275.17896	8.5
277.16147	1.2
277.19522	4.4
279.17657	1.2
279.21164	2.2
281.18839	2.7
283.20578	13.0
284.15573	1.6
287.17578	2.9
287.20209	3.9
289.19492	3.5
291.21027	2.4
293.19128	1.4
295.20633	4.2
297.22119	6.0
299.20377	1.3
300.20905	1.6
301.19461	4.1
307.20599	2.2
309.21912	1.7
312.20889	2.1
313.19354	1.5
315.21039	2.3
317.22665	1.9
319.20801	1.6
321.22186	1.7
331.20630	1.4
331.24051	5.9
333.21838	1.7
335.23871	2.1
341.22778	2.1
347.23737	2.7
349.25272	8.1
352.23895	2.3
357.25699	3.2
361.25165	1.5
365.24677	1.8
371.23358	1.4
375.26837	8.8
403.30081	7.5
445.49915	1.1
449.04083	1.2
449.34277	1.5
477.33630	1.8
491.34430	3.9
503.35266	6.6
509.33990	2.8
547.39075	3.3
565.40344	27.2
583.41370	100.0
584.41418	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80273	1.5
51.40259	1.4
53.03930	5.7
55.01856	1.9
55.05502	18.6
57.07069	12.2
58.44286	1.4
59.04989	5.4
65.03936	4.2
65.59903	1.4
67.05496	28.1
68.38974	1.4
68.66992	1.4
69.03416	10.9
69.07056	24.8
69.20255	1.7
69.24701	12.3
69.25126	4.5
71.01362	1.6
79.05484	28.4
80.42738	1.4
81.03415	1.9
81.07044	44.7
83.04973	9.0
83.08609	9.5
85.06548	7.8
87.61620	1.4
91.05469	64.6
93.07030	64.9
95.04966	17.4
95.08591	38.4
95.80032	1.5
96.41502	1.6
97.06516	7.1
97.10164	2.1
103.05444	5.7
105.04541	2.1
105.07018	98.2
107.08576	59.0
109.06496	12.7
109.10134	22.3
110.32479	1.4
111.08065	3.8
115.05446	6.7
116.06225	4.0
117.07012	18.6
119.08564	100.0
120.09298	1.8
121.06489	8.3
121.10129	54.6
121.27610	1.7
122.07301	1.5
123.08056	18.1
123.11707	7.1
125.05971	4.1
125.09622	2.2
128.06195	12.8
129.06990	24.6
130.07761	9.9
131.08554	43.7
133.06461	3.7
133.10114	44.6
133.11099	3.0
135.08037	13.6
135.11676	15.2
137.09604	11.8
139.11205	2.6
141.06958	14.4
142.07764	34.0
143.08537	60.6
144.09335	9.7
144.66380	1.6
145.10103	60.3
147.08040	23.5
147.11662	19.3
149.09612	7.8
149.13229	5.2
151.07506	15.3
153.06926	8.1
154.07770	5.3
155.08534	24.8
156.09323	27.6
157.10114	71.5
158.10910	9.9
159.08029	5.2
159.11656	26.3
161.09625	5.4
161.13240	10.6
163.11151	8.7
165.07024	10.5
165.09088	37.9
166.07787	5.7
167.08554	13.5
167.10646	11.9
168.09317	12.7
169.10110	40.4
170.10887	11.0
171.08226	1.6
171.11664	34.8
173.09674	5.5
173.13237	29.1
175.11249	3.6
175.14816	6.8
177.09047	2.2
177.12704	1.7
177.53696	1.6
179.08545	18.4
180.09299	8.5
181.10118	23.0
181.12238	5.9
182.10873	11.0
183.11676	36.1
184.12489	6.9
185.09595	1.8
185.13220	21.5
187.14784	11.2
189.12772	5.7
191.08679	2.9
191.10620	1.7
191.14267	10.6
192.09384	6.7
193.10118	17.8
194.10902	16.3
195.11664	27.0
196.12439	8.0
197.13223	24.8
199.11156	3.4
199.14806	17.2
201.12776	2.1
201.16492	4.1
203.08499	3.0
203.14275	18.9
204.09328	2.3
205.10133	6.9
206.10797	9.6
207.11696	26.4
207.13799	7.9
208.12492	8.4
209.13235	34.6
209.15060	1.6
210.14024	5.2
211.11240	3.2
211.14783	15.7
212.15738	2.0
213.12732	3.5
213.16331	5.1
215.14232	2.9
216.09468	2.2
217.10182	4.7
217.15788	10.3
218.10947	5.3
219.11720	10.8
220.12419	10.5
221.13242	19.8
221.15390	67.9
222.14043	6.6
223.14790	17.0
225.12743	4.3
225.16377	7.6
227.14314	3.0
227.17912	1.7
229.09915	2.2
229.16042	2.8
230.10899	3.4
231.11630	8.9
231.13675	1.8
231.17447	3.1
232.12462	6.6
233.13242	13.1
233.15405	7.4
234.14072	7.0
235.14813	14.9
236.15619	4.1
237.12785	2.3
237.16319	8.2
239.14389	2.6
239.17953	5.9
241.15962	1.8
243.11736	4.0
243.31720	1.6
244.12526	4.1
245.13196	9.0
246.14024	6.2
247.14832	12.8
247.17036	2.9
248.15588	3.2
249.16414	11.1
250.17125	1.8
251.14182	2.3
251.17950	6.3
253.16084	2.2
253.19472	3.1
255.17374	1.9
257.13174	3.6
257.19009	7.8
258.14081	3.3
259.14755	7.7
260.15628	5.2
261.16318	12.0
263.18024	6.3
264.18915	1.7
265.16632	1.4
265.19473	9.7
267.17551	2.1
269.13120	2.5
269.18961	3.5
271.14737	1.9
271.20688	2.2
272.15637	2.1
273.16370	6.6
274.17105	3.4
275.17816	11.8
277.15826	1.7
277.19495	5.4
279.17538	2.7
279.21014	3.7
283.20511	19.1
285.16287	2.7
286.19385	2.0
287.17847	4.5
287.20410	3.4
289.19638	6.0
291.17493	1.6
291.20963	4.1
293.18872	2.8
295.20572	5.6
297.22095	4.7
299.20435	1.8
300.20984	2.1
301.19150	2.0
303.21115	2.6
305.19070	1.9
307.20578	2.7
309.22330	2.0
312.21121	2.0
329.22739	2.0
331.24194	5.4
333.22260	2.9
347.23950	2.2
349.25253	9.8
351.23471	1.8
357.25662	2.3
361.25192	2.2
364.23636	2.0
365.24930	2.5
375.26675	8.5
403.30017	6.6
437.30865	1.9
491.34906	4.9
503.35202	5.3
509.33963	2.3
547.39374	4.8
565.40234	28.4
583.41406	93.5
584.41858	3.2
594.23956	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.05510	14.7
57.07069	9.9
59.05003	3.4
63.02380	1.3
65.03935	4.8
67.05176	1.7
67.05499	18.3
69.03411	5.9
69.07065	17.4
70.65275	3.0
70.65646	2.4
79.05488	18.1
79.24049	1.4
81.06587	1.8
81.07048	27.5
83.04970	6.7
83.08619	9.3
85.06531	5.8
87.80337	1.3
90.82513	1.2
91.05471	36.8
93.07037	51.3
95.04964	11.9
95.08600	33.4
97.06509	6.2
97.10160	1.2
99.08083	1.7
103.05479	3.6
105.04533	2.6
105.07022	61.4
107.04899	1.8
107.08589	45.1
109.06503	8.3
109.10137	16.3
111.08083	3.3
115.05428	5.7
116.06181	1.2
117.07004	13.4
119.08572	68.6
120.08883	1.4
121.06503	5.5
121.10139	47.5
123.04441	1.7
123.08065	15.7
123.11691	5.1
125.05987	3.1
125.09600	3.2
128.06186	10.0
129.06987	13.8
130.07755	5.9
131.08559	29.7
133.06508	2.7
133.10118	32.7
135.08047	5.9
135.11659	14.5
137.09605	11.3
139.11137	3.3
141.06955	6.8
142.07788	18.6
143.08551	31.2
144.09322	5.5
145.06532	2.1
145.10107	47.8
147.08047	9.6
147.11673	15.2
149.09621	7.7
149.13271	2.3
151.07545	15.1
151.11128	1.6
153.06963	4.3
153.09129	1.5
154.07800	3.8
155.08556	15.9
155.10680	2.3
156.09308	16.2
157.10126	44.6
158.10849	4.4
159.08076	6.4
159.11685	25.9
161.09602	6.9
161.13341	6.6
163.11143	7.8
165.06969	5.4
165.09097	16.6
166.07767	4.4
167.08591	8.4
167.10664	29.5
168.09341	5.9
169.10129	23.5
170.10893	7.4
171.11674	27.9
173.09578	3.7
173.13228	22.2
175.11200	3.9
175.14734	6.9
176.98479	1.4
177.09094	2.1
177.12752	1.7
178.07864	1.5
179.08546	11.0
179.10588	1.8
180.09303	4.6
181.10089	13.1
181.12132	6.2
182.10905	6.7
183.11678	23.2
184.12436	5.2
185.09572	3.0
185.13248	16.8
187.11198	1.7
187.14838	7.8
189.12746	6.0
189.16426	1.5
191.10646	1.6
191.14294	6.7
192.09338	4.5
192.11549	1.5
193.10056	11.5
194.10889	11.9
195.11661	20.9
196.12434	5.4
197.13216	19.8
199.11247	2.4
199.14806	12.9
200.11932	1.5
201.12767	2.4
201.16466	4.5
203.14258	9.2
205.10062	3.3
206.10895	8.9
207.11671	16.7
207.13782	7.2
208.12402	6.8
209.09920	1.4
209.13272	21.4
209.15178	2.0
210.13936	3.7
211.11287	1.7
211.14799	10.6
213.16374	3.2
215.14297	5.2
217.10168	4.1
217.15923	6.1
218.10866	3.1
219.11707	5.4
220.12439	6.3
221.13252	13.0
221.15395	29.7
222.13986	4.2
223.11368	2.0
223.14804	13.2
224.15575	2.0
225.12700	2.0
225.16403	4.9
227.14330	3.2
229.15923	2.7
230.10851	2.0
231.11700	7.1
231.17456	2.7
232.12462	4.8
233.13245	8.1
233.15416	10.0
234.13869	3.6
235.14748	10.1
236.15337	1.9
237.12721	2.1
237.16460	7.5
239.14151	2.7
239.17935	3.0
243.11610	2.3
244.12468	2.7
245.13213	6.0
246.14052	4.9
247.14755	10.2
247.16934	1.8
248.15520	3.8
249.16284	7.8
251.17865	7.3
255.17447	3.1
257.13254	3.0
257.18933	6.5
259.14835	5.6
260.15506	3.2
261.16318	7.8
262.17157	1.7
263.17950	4.7
265.19528	6.0
267.17465	2.0
269.18906	3.9
271.14761	2.4
271.20538	3.2
273.16476	4.5
274.17050	2.1
275.17630	6.5
276.18521	1.6
277.15759	1.7
277.19287	2.8
279.21024	2.7
281.19092	3.7
283.20477	11.3
285.16351	3.2
287.17630	3.3
287.20401	1.8
288.18585	1.6
289.19522	4.5
291.20941	2.8
293.18997	3.2
295.20636	4.3
297.22070	2.4
301.19186	1.9
303.21048	1.9
307.20786	1.7
309.22021	2.0
315.21121	2.7
321.22031	1.6
325.19470	1.5
331.24274	2.8
335.23624	1.7
341.22339	1.5
343.24335	2.2
348.24637	1.9
349.25317	6.1
357.25766	2.1
359.23904	1.6
361.25290	3.3
365.24985	1.7
373.24966	1.5
375.26788	4.8
385.28836	1.7
391.26523	1.5
401.28308	2.0
403.30008	5.1
427.30225	2.9
491.35315	2.8
503.35294	2.3
509.34103	2.1
523.39465	1.4
547.39514	4.7
565.40332	21.1
583.41388	100.0
584.41577	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	583.414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37855	1.1
53.03933	2.4
55.01847	1.1
55.05501	7.2
57.07062	5.8
59.04990	1.8
66.75287	0.9
67.05493	12.0
69.03423	5.9
69.07063	7.4
69.84311	6.3
75.31834	1.0
79.05484	13.1
81.07041	11.7
83.04964	2.0
83.08605	2.5
85.06528	2.6
91.05466	15.2
93.07027	28.4
95.04954	5.3
95.08594	20.0
97.06515	1.7
98.20757	1.7
102.37865	0.9
103.05474	1.7
105.07015	29.0
105.07693	2.0
107.04935	1.9
107.08572	14.9
108.95969	0.9
109.06499	4.3
109.10148	6.8
111.08107	2.0
112.45673	1.3
115.05418	1.5
117.07000	5.0
119.08566	25.9
119.18765	1.1
121.06505	3.1
121.10123	17.3
123.08055	14.2
123.11694	2.4
125.05936	1.5
128.06218	4.0
129.07005	5.8
130.07820	1.6
131.08545	10.9
133.06499	1.8
133.10117	14.2
135.08054	7.1
135.11678	2.9
137.09630	8.3
141.06966	2.1
142.07745	10.8
143.08545	13.6
144.09280	2.1
145.06464	1.3
145.10092	17.3
147.08031	14.0
147.11708	4.0
149.09610	1.5
151.07516	17.6
153.07024	2.2
154.07724	1.6
155.08536	7.0
156.09332	6.3
157.10098	22.1
159.08044	1.8
159.11674	11.1
161.09584	3.6
161.13258	4.7
163.11177	4.3
165.06967	2.2
165.09087	29.4
166.07777	1.7
167.08588	3.9
168.09341	2.8
169.10091	8.9
169.68427	1.2
170.10883	4.2
171.11664	13.9
173.09584	1.3
173.13216	5.5
175.14787	3.3
177.09093	1.3
179.08537	5.5
179.10672	1.0
180.09361	2.3
181.10101	5.9
181.12238	2.1
182.10927	3.3
182.26180	1.1
183.11696	10.2
184.12450	2.1
185.13268	9.6
187.11237	3.0
187.14859	2.8
189.12712	6.0
191.14265	2.4
192.09349	1.4
193.10150	5.7
194.10880	3.7
195.11690	8.6
196.12372	3.1
197.13251	9.7
199.11099	1.6
199.14772	5.2
201.12831	1.4
203.14301	15.0
205.10130	1.9
206.10886	3.0
207.11674	6.3
207.13814	7.6
208.12450	3.8
209.13228	13.3
210.14052	1.8
211.14836	4.6
213.16341	3.0
215.14175	1.3
217.10043	1.2
217.15869	1.2
218.10823	1.4
219.11488	2.2
220.12469	2.4
221.13225	6.7
221.15298	59.6
222.13907	1.6
223.14752	6.9
225.16316	2.6
227.14290	1.2
229.15852	1.5
231.11716	2.2
231.17430	2.9
233.13243	3.4
233.15321	1.5
234.14064	2.3
235.14812	3.6
236.15633	1.9
237.16408	2.7
239.18001	1.9
241.15898	1.6
245.13100	1.7
247.14746	3.2
247.17015	2.2
249.16431	2.9
251.17921	3.3
253.19649	1.4
255.17438	1.3
257.13385	1.3
257.18991	1.8
259.14697	2.0
260.15784	1.4
261.16278	2.3
263.17960	2.7
265.19540	2.3
267.17554	1.2
269.19098	1.4
271.20465	3.2
273.16269	1.3
275.17862	2.4
277.19415	2.4
283.20416	2.7
286.19211	1.1
287.20145	3.1
289.19208	1.1
295.20554	3.0
297.22089	4.2
309.22134	1.4
325.21481	1.6
333.22067	1.3
335.23694	1.0
349.25256	3.7
352.23990	1.8
357.25650	2.0
365.24722	3.7
375.26907	5.3
385.29004	1.7
403.29865	12.2
503.35034	6.1
509.34341	2.0
547.39441	3.8
565.40356	29.3
566.40314	1.5
583.41351	100.0
584.41992	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17203	2.2
53.03933	7.1
55.01900	2.6
55.05505	18.9
57.07060	10.6
59.04996	6.7
65.03928	4.6
67.05501	33.4
69.03415	7.4
69.07058	26.6
69.28308	9.0
69.28736	15.8
73.21626	2.3
77.03909	2.3
79.05487	30.9
79.58303	2.1
81.07050	38.4
83.04967	9.6
83.08610	13.8
85.06544	8.6
91.05468	58.3
93.07036	66.8
95.04960	14.3
95.08595	39.2
97.06502	6.6
97.10126	3.2
98.21510	4.2
105.07027	81.5
107.08575	61.3
109.06476	11.7
109.10146	28.7
111.08083	6.7
113.09624	3.4
115.05433	5.5
116.06252	3.6
117.07013	21.9
119.08575	100.0
121.06509	3.2
121.10137	71.4
123.08060	15.6
123.11686	9.9
125.05974	2.8
125.09641	6.6
128.06192	12.3
129.06999	21.2
130.07762	8.0
131.08557	37.7
133.06517	3.7
133.10114	53.2
135.08072	9.7
135.11681	22.8
137.09561	12.9
139.11182	7.1
141.07001	12.1
142.07780	28.2
143.08554	52.5
144.09337	9.2
145.06407	2.8
145.10118	62.9
147.08054	9.3
147.11685	18.5
149.09593	15.5
149.13266	5.6
151.07512	10.7
151.14801	2.7
153.07004	5.3
154.07744	2.9
155.08525	17.5
156.09305	21.4
157.10126	57.9
158.10875	8.1
159.08080	6.9
159.11685	33.7
161.09579	5.4
161.13245	12.5
163.11180	8.8
165.07008	6.7
165.09061	15.3
166.07823	2.7
167.08611	12.6
167.10663	42.7
168.09293	5.9
169.10114	34.9
170.10843	5.9
171.11665	38.0
173.09689	5.3
173.13263	30.8
175.11223	4.1
175.14774	13.8
177.08917	2.8
178.07730	3.2
179.08568	15.0
180.09302	7.4
181.10124	16.7
181.12201	7.4
182.10893	11.0
183.11671	31.1
184.12584	6.0
185.13260	20.1
186.13902	3.2
187.14845	10.9
189.12645	4.3
191.14305	10.0
192.09262	5.4
193.10095	13.8
194.10886	13.5
195.11674	26.6
196.12518	7.5
197.13219	27.4
199.11073	2.9
199.14801	24.0
201.12738	3.6
201.16411	7.4
203.08647	3.9
203.14357	6.6
205.10190	4.2
206.10962	8.7
207.11668	20.9
207.13762	7.3
208.12468	7.7
209.13252	28.7
209.15121	3.9
210.13942	4.5
211.11209	3.7
211.14774	12.8
213.12814	2.6
213.16393	3.3
215.14221	4.4
216.09502	2.5
217.10088	5.8
217.15848	18.7
218.10954	5.7
219.11656	10.2
219.17442	3.1
220.12436	7.9
221.13235	19.9
221.15404	25.8
222.14059	3.1
223.14771	16.3
225.16399	7.7
225.32416	2.7
230.10851	3.5
231.11703	6.7
232.12436	4.1
233.13190	10.7
233.15390	13.9
234.14063	3.9
235.14824	15.6
237.12761	3.1
237.16396	10.2
239.17989	3.9
243.11766	4.5
244.12433	3.7
245.13287	7.9
246.14066	6.7
247.14781	10.2
247.16992	4.0
249.16298	11.8
251.17984	7.3
255.17400	2.7
257.18942	5.9
258.14014	3.8
259.14905	5.2
260.15723	4.4
261.16382	8.4
262.17166	4.3
263.17993	6.8
265.19504	9.7
267.17300	2.7
269.18991	6.1
271.14743	3.9
273.16208	5.6
275.17868	7.6
277.19528	4.5
279.20929	3.4
281.19043	3.5
283.20593	9.8
287.17847	5.2
289.19363	3.6
291.21039	5.4
293.19153	3.0
295.20419	3.4
297.21811	2.8
299.18033	3.9
321.22192	2.9
331.24106	3.7
339.29080	2.6
343.24243	3.5
349.25287	7.0
361.25226	4.5
365.24838	2.7
375.26855	5.5
403.29993	4.8
491.35126	5.8
509.33871	3.8
513.25494	2.4
547.38989	5.1
565.40247	19.2
583.41321	89.1
584.41919	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	583.414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80325	3.5
51.03419	3.0
53.03945	6.8
55.05494	11.9
57.07053	11.9
59.04991	6.8
65.03918	5.7
67.05495	31.2
69.03416	6.4
69.07055	19.0
71.19710	8.2
72.67053	3.6
76.85449	3.1
79.05482	33.1
81.07045	38.7
82.65843	4.2
83.04980	8.8
83.08593	10.3
85.06527	9.7
85.10123	3.9
91.05474	50.4
93.07033	69.0
93.07615	4.9
95.04942	13.4
95.08595	43.2
103.05467	6.3
105.07017	78.6
107.08581	53.4
109.06486	10.3
109.10157	27.7
115.05456	4.5
117.06999	18.9
119.08572	90.8
121.06499	6.6
121.10124	57.5
123.08024	13.5
123.11676	6.7
125.05970	4.0
125.09593	4.5
128.06204	14.5
129.07002	21.5
130.07756	10.1
131.08546	39.5
133.06479	6.3
133.10117	48.3
135.08058	8.5
135.11678	16.0
137.09581	7.9
139.11118	5.3
141.06998	13.7
142.07753	27.8
143.08543	53.4
144.09262	6.3
145.10115	61.3
147.08023	14.6
147.11674	19.1
149.09566	9.0
149.13188	5.9
151.07535	9.6
153.07062	5.8
154.07703	3.7
155.08519	23.5
156.09341	18.8
157.10120	51.4
158.10909	10.4
159.08049	4.7
159.11646	29.9
161.09572	7.8
161.13245	4.9
163.11140	5.7
165.06989	13.0
165.09103	22.3
167.08545	12.9
167.10672	28.2
168.09306	9.2
169.10130	29.9
170.10884	10.0
171.11678	35.2
173.13205	27.1
175.11176	5.6
175.14799	14.1
179.08521	15.9
180.09337	6.2
181.10056	16.8
181.12262	4.4
182.10849	6.7
183.11697	37.4
184.12463	7.8
185.13211	22.0
187.14746	6.2
189.12692	6.0
191.14250	13.8
192.09216	8.8
193.10089	15.6
194.10878	14.7
195.11722	25.3
196.12390	7.8
197.13173	25.2
199.14774	15.1
201.16331	5.9
203.14282	11.5
205.10072	7.2
206.10904	9.5
207.11661	16.8
207.13657	7.1
208.12437	8.2
209.13223	31.0
210.13928	4.7
211.14790	9.8
215.14311	3.8
217.10138	4.5
217.15884	14.4
219.11713	7.3
220.12508	4.9
221.13203	15.2
221.15326	49.5
222.13995	5.0
223.14778	16.3
225.12848	4.8
229.10150	4.4
231.11710	4.9
233.13197	12.2
233.15379	11.1
234.13954	5.7
235.14778	14.1
237.16437	8.4
239.17957	5.3
245.13168	11.8
246.13895	6.5
247.14775	12.3
249.16330	13.2
251.18024	7.3
257.19009	8.2
259.14825	7.5
260.15634	7.3
261.16324	16.6
263.17926	6.8
265.19513	10.3
269.18921	5.1
271.14862	4.0
273.16406	5.3
275.17944	15.7
283.20599	16.9
287.20236	5.1
289.19333	6.3
300.20740	4.2
331.24084	5.0
349.25067	8.7
375.26669	8.5
491.35052	5.6
503.34326	6.1
547.39398	5.1
565.40137	15.4
583.41418	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	21.6
56.44144	4.7
64.87426	4.4
67.05500	33.6
69.03417	13.7
69.07049	20.2
69.34252	46.3
71.04994	6.1
76.51208	4.2
76.75632	4.6
79.05484	23.7
81.07053	38.0
83.04952	13.6
83.08607	19.0
85.02895	7.7
85.06554	6.4
91.05475	34.5
93.07037	53.1
94.81287	4.5
95.04956	10.3
95.08607	36.6
97.06514	15.4
105.07021	72.9
107.04937	7.7
107.08583	67.9
109.06530	11.9
109.10172	30.1
113.09669	5.6
117.07003	18.9
119.08572	73.0
121.06503	5.2
121.10129	66.0
123.08055	17.1
125.09608	6.7
128.06184	9.6
129.06999	18.8
131.08560	33.3
133.10094	41.7
135.11697	12.9
137.09665	6.1
139.11143	13.3
141.06964	7.9
142.07755	21.5
143.08549	42.1
145.10110	50.6
147.08044	5.5
147.11699	23.9
149.09593	14.4
151.07486	18.6
155.08517	15.9
155.10655	10.8
156.09320	18.3
157.10074	50.3
158.10857	6.1
159.08009	5.4
159.11661	24.9
161.09570	6.8
161.13277	8.5
163.11208	6.3
165.09106	10.6
166.07756	5.3
167.08528	9.6
167.10660	11.2
168.09335	5.4
169.10175	27.1
171.11700	33.6
173.13211	30.9
175.14812	10.1
179.08488	14.2
180.09422	6.2
181.10138	14.2
181.12206	16.1
182.10864	9.3
183.11679	26.1
185.13251	21.3
187.11092	6.0
187.14764	5.0
193.10146	14.3
195.11696	25.0
196.12399	9.7
197.13252	28.1
199.14827	17.0
201.16341	7.6
205.10056	7.7
206.10890	7.4
207.11719	26.1
208.12433	12.9
209.13293	26.5
211.14781	20.7
213.16412	11.8
215.14351	8.0
216.09564	5.4
216.33188	5.7
217.15878	5.2
217.61819	4.9
218.10840	6.0
219.11600	9.6
220.12491	6.3
221.13268	15.4
221.15372	33.4
223.14861	14.6
225.14694	12.0
233.13269	10.6
233.15356	17.7
235.14830	15.8
236.15567	5.4
237.16499	11.8
239.17993	6.6
245.13255	5.8
247.14854	9.0
248.15454	6.1
249.16281	10.0
251.18109	10.8
253.19328	9.4
259.14877	8.7
260.15378	6.1
261.16336	12.8
263.17923	6.5
265.19522	7.0
273.16150	6.2
275.17938	11.4
277.19342	11.8
279.20801	5.0
283.20499	8.2
289.19562	6.2
297.22235	7.2
299.19962	5.2
343.24518	6.0
345.25876	9.0
349.24939	8.3
361.25363	8.2
375.27051	6.3
415.29773	5.5
519.29718	4.8
539.27838	4.7
547.38623	5.6
565.40436	31.4
583.32513	6.4
583.41486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	8.9
55.05494	11.3
57.46181	4.3
65.03943	5.9
67.05492	21.4
69.03409	18.4
69.07044	18.1
71.04980	10.8
71.53098	6.7
75.59428	4.3
79.05486	23.3
81.03414	25.5
81.07050	50.8
83.04986	36.7
85.02882	15.7
85.06514	14.1
87.04452	5.4
91.05461	26.3
93.07049	35.4
94.79862	4.3
95.04968	49.3
95.08580	17.5
97.02886	17.3
97.06511	35.9
99.04410	26.5
101.03761	4.6
103.05453	4.4
105.07012	68.3
107.04939	18.0
107.08595	32.8
109.02831	14.2
109.06506	33.8
109.10173	4.4
111.04434	6.5
111.08092	7.8
117.06979	16.4
119.04930	12.5
119.08571	23.0
121.06490	19.7
121.10112	33.2
123.04446	21.6
123.07994	8.8
125.05983	46.9
127.03887	14.4
127.07540	15.2
129.06989	11.2
130.07706	5.0
131.04886	7.0
131.08556	27.3
133.06474	13.3
133.10112	11.8
135.04358	8.3
135.08029	6.9
135.11674	15.2
137.05968	90.7
138.06204	6.8
139.07536	5.6
141.05336	5.2
143.07008	70.8
143.08543	10.4
145.06499	10.0
145.10114	91.7
147.04414	5.7
147.08081	5.6
149.05907	9.0
149.09613	5.7
151.03874	11.2
151.07501	11.1
153.05437	9.6
154.07793	5.5
155.07053	7.2
155.08553	6.1
157.10133	8.6
158.07236	9.4
159.07982	12.3
159.11676	28.1
161.05948	7.9
161.09554	13.8
163.07596	7.6
163.11133	46.1
165.05466	5.4
167.07016	30.6
168.07338	6.0
169.10109	9.0
170.10815	5.1
173.09587	44.3
175.07576	9.8
177.05402	17.9
177.12724	5.8
178.05826	5.4
179.10643	9.2
181.04935	11.3
181.12315	4.5
187.11172	71.3
189.09093	7.5
189.12663	7.4
191.07027	7.5
191.10652	32.5
193.08577	4.8
197.09596	6.6
201.09061	20.3
203.06926	4.7
203.10652	5.3
205.12216	55.1
207.06456	9.6
207.10150	5.3
209.11777	28.3
215.10675	55.6
217.08679	7.2
219.10222	10.8
233.11699	78.3
245.08076	8.0
245.19229	4.6
249.11192	7.0
251.12755	100.0
255.12456	5.0
267.12189	14.9
269.13837	18.2
293.13742	6.6
307.41312	4.9
314.11816	6.0
349.16125	5.1
359.14792	17.9
377.15936	57.8
395.17001	57.6
413.18060	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	10.5
56.35088	2.6
57.07076	13.7
58.06486	2.8
59.04998	3.8
61.63700	2.6
65.03939	3.0
67.05501	16.6
69.03419	7.4
69.07056	13.3
76.93755	3.4
79.05485	16.3
81.07053	28.8
83.04956	5.2
83.08598	4.8
85.06550	6.4
89.06011	7.6
91.05473	34.5
93.07035	38.1
95.04951	9.6
95.08594	29.4
97.06522	3.8
98.21535	5.7
103.05459	3.0
105.02173	2.7
105.07021	67.8
106.07831	3.5
107.08590	33.2
109.06499	7.9
109.10142	15.0
115.05428	4.4
117.07003	19.6
119.08567	81.2
120.09364	4.7
121.06503	5.3
121.10146	27.1
123.08058	12.4
123.11716	5.7
125.06015	3.8
128.06209	8.6
129.07008	18.0
130.07767	6.4
131.08557	47.2
132.09357	4.4
133.08575	3.7
133.10121	31.3
135.08081	12.8
135.11667	17.5
137.09605	11.1
141.06990	7.6
142.07767	15.8
143.08554	33.0
144.09331	11.2
145.10103	53.5
146.10843	3.2
147.08025	19.0
147.11691	11.8
149.09599	6.2
151.07550	9.5
151.11267	3.1
153.07019	3.2
155.08517	17.0
156.09348	17.6
157.10117	52.2
158.10843	6.8
159.08052	6.3
159.11682	36.8
160.12170	3.4
161.09586	8.1
161.13255	9.2
163.11166	11.5
165.09094	28.4
167.08621	5.3
168.09306	6.8
169.10110	25.7
170.10881	4.7
171.08141	3.5
171.11667	29.1
172.12451	3.1
173.09592	5.9
173.13248	20.3
175.11150	12.1
175.14819	13.1
177.12796	5.2
179.08545	7.4
180.09393	3.4
181.10095	10.7
181.12221	9.4
182.11076	3.6
183.11658	20.5
184.12415	4.8
185.13257	18.0
186.13797	3.0
187.11235	3.5
187.14799	7.7
189.12723	9.5
190.13499	6.7
193.10112	6.1
193.12199	8.6
194.10889	8.6
195.11772	16.4
195.13431	3.6
196.12439	4.9
197.13220	18.4
199.11263	5.0
199.14781	6.8
201.16327	6.7
203.14301	12.7
205.10141	3.0
207.11655	9.2
207.13818	10.1
208.12485	3.5
208.14479	5.3
209.13269	18.6
209.15007	3.6
211.10938	3.4
211.14798	11.0
213.12846	3.7
217.15866	3.1
219.11659	4.3
219.13664	4.7
220.12512	3.6
221.13359	5.4
221.15338	65.6
223.14810	12.1
224.15553	3.9
225.16331	4.3
227.14299	4.5
229.80310	2.9
231.11768	4.0
234.16101	9.0
235.14746	6.1
237.16362	7.1
240.15277	3.4
247.14723	3.6
247.16948	10.9
249.16200	4.3
251.17854	4.4
256.03552	2.9
263.17975	4.2
269.19046	3.2
271.16901	3.5
296.21356	2.8
299.20068	9.5
325.21579	11.9
337.21628	8.4
352.23914	69.0
360.84042	2.9
365.24939	13.1
378.25723	3.5
391.26279	6.7
398.28101	8.3
404.30731	7.9
412.29849	17.7
425.30478	7.1
438.31409	15.2
489.33432	6.6
491.34958	10.5
492.35629	5.4
504.35953	100.0
505.36292	9.8
584.42273	25.1
584.55865	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	584.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81958	1.4
55.05499	7.4
57.07074	9.6
59.04992	2.2
60.53029	1.5
67.05495	14.4
69.03410	5.5
69.07067	8.6
69.30660	5.6
69.31078	12.8
77.61213	1.9
79.05489	17.3
81.07048	20.2
83.04953	4.9
83.08614	4.4
85.06516	4.5
89.06013	4.4
90.06254	1.7
91.05469	22.8
93.07037	38.6
95.04964	8.3
95.08041	2.7
95.08598	26.0
97.06521	2.5
103.05468	3.2
104.56730	1.8
105.07019	53.6
106.07803	2.3
106.29338	1.8
107.08576	28.0
109.06499	8.1
109.10159	10.4
111.08043	2.9
115.05467	1.9
117.07016	15.6
119.04912	3.0
119.08568	75.0
120.09397	3.7
121.06460	4.4
121.10128	23.1
123.08077	8.4
123.11700	3.9
125.05925	4.5
128.06216	5.3
129.07019	12.1
130.07770	5.1
131.08557	34.7
132.09334	2.3
133.10115	31.3
135.08057	14.1
135.11684	11.6
137.09624	9.1
137.13280	3.0
139.07607	2.0
141.06940	5.6
142.07761	10.2
143.08548	29.8
144.09322	6.5
145.10101	47.6
146.10733	2.6
147.08038	17.6
147.11656	13.4
149.09587	6.5
151.07512	9.8
151.11182	3.1
151.30394	2.1
153.06944	1.9
155.08540	13.8
156.09319	12.9
157.06491	1.7
157.10112	49.5
158.10919	8.5
159.08067	5.1
159.11685	32.8
161.09587	3.1
161.13234	9.2
163.11168	10.7
165.06949	5.1
165.09103	23.1
166.07755	2.3
167.08551	5.4
168.09331	5.3
169.10115	17.4
170.10902	10.8
171.11674	26.4
172.12410	7.2
173.09613	5.7
173.13261	18.7
175.11203	11.1
175.14842	12.7
177.09135	2.3
177.12749	3.7
179.08495	5.5
180.09312	3.9
180.11447	2.5
181.10071	11.1
181.12212	8.1
182.10875	6.3
183.11670	22.8
184.12421	6.1
185.09671	2.1
185.13271	15.9
186.13660	2.3
187.11200	4.3
187.14807	7.8
189.12730	6.0
189.16478	2.1
190.13451	4.3
191.10681	2.3
191.14319	2.4
193.10197	9.0
193.12257	7.7
194.10878	5.7
195.11703	16.4
196.12421	5.4
197.09622	2.2
197.13177	17.7
198.14008	3.9
199.11209	4.4
199.14758	5.2
201.12726	5.0
201.16374	4.5
203.14253	13.7
206.10971	2.2
207.11652	7.3
207.13759	7.7
208.12454	5.1
208.14514	4.6
209.13297	16.9
210.14005	4.1
211.11122	3.2
211.14775	7.6
213.12755	3.0
213.16302	3.8
215.14238	3.6
217.12137	2.1
217.15819	3.4
219.11739	4.0
219.13774	4.8
220.12505	2.7
221.13257	8.0
221.15320	55.9
222.13904	3.4
223.14801	14.0
224.15404	2.8
225.12758	2.1
225.16330	4.2
229.15913	2.1
233.13127	2.2
233.15428	2.6
234.16144	7.8
235.14746	6.8
237.12694	3.9
237.16322	6.5
238.16966	2.0
239.17807	2.4
240.15097	2.4
241.15810	2.2
245.13162	3.0
246.13901	2.1
247.14722	3.7
247.16953	10.1
249.16313	3.1
251.17928	4.0
253.15926	3.6
261.16385	3.5
263.17841	4.4
267.17358	3.4
269.15353	2.2
269.18820	2.1
274.19217	2.3
277.19519	3.1
281.18933	4.0
285.18573	3.8
286.19330	3.0
287.20193	2.6
291.20987	2.4
296.21188	2.4
299.20087	11.9
300.28867	2.6
309.21915	2.0
311.19891	3.0
312.20987	2.5
312.24280	1.9
325.21533	8.0
337.21774	8.7
352.23941	69.5
353.24487	2.3
365.24747	12.2
378.25317	3.4
391.26279	4.3
397.27216	4.2
398.28061	8.4
404.30634	5.5
411.29047	3.6
412.29733	16.6
425.30310	3.5
438.31247	12.9
489.33789	5.4
491.35022	9.8
492.35455	8.0
504.35953	100.0
505.36230	5.3
539.97021	2.2
566.41223	2.9
569.39447	3.2
584.42224	22.3
584.55780	3.7
585.43115	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	585.2328
Annotation	Magnesium protoporphyrin
Peak:m/z	Relative Intensity
53.03927	0.8
53.22352	0.4
55.01865	0.9
55.05509	0.6
59.06163	0.4
65.03936	6.8
67.05489	1.7
69.03413	0.5
69.39140	2.6
69.39548	1.2
79.05481	2.3
81.03395	0.6
81.07040	0.5
82.04182	0.9
83.04952	0.8
85.02896	0.8
91.05458	1.8
93.03404	3.3
93.07016	0.9
95.01305	1.2
95.04951	2.2
95.08602	0.6
97.02825	0.4
97.06512	0.7
98.20805	1.0
99.04457	0.5
105.07049	1.3
107.04920	2.9
107.08604	0.7
108.02080	1.1
108.50265	0.4
109.02900	0.6
109.06528	0.5
109.10144	0.5
110.03655	7.0
111.03707	0.7
111.04433	8.3
117.06948	0.6
119.04906	0.6
119.08532	0.5
119.89297	0.4
120.46145	0.4
121.02838	5.4
121.06484	2.4
123.04418	0.7
125.05967	8.2
129.06992	0.7
131.08562	0.8
133.02788	0.6
133.06505	0.9
135.04424	1.1
137.05972	3.0
138.03056	0.5
141.05426	0.9
145.06445	0.7
146.07295	0.5
146.10365	0.5
147.04382	1.6
147.08051	0.6
149.02318	1.7
149.05933	0.8
151.03894	24.0
151.04994	1.8
151.07483	2.2
152.06210	0.9
153.05457	19.8
153.06749	1.0
159.08043	1.3
161.05957	3.2
161.09668	1.2
162.06728	0.8
163.03911	0.7
163.07465	0.6
163.11116	0.8
165.05420	0.9
165.06984	0.9
167.07002	3.8
167.08363	0.7
171.08044	0.5
175.07573	1.6
177.05423	1.6
177.06879	0.5
177.09039	0.5
178.07719	0.7
179.07004	0.5
179.08516	0.6
181.04924	1.3
181.06454	1.0
181.08450	0.7
182.07237	1.3
187.07567	0.7
189.09061	1.1
193.06520	0.6
193.08556	0.6
194.07211	0.9
195.06462	0.9
195.08018	1.8
196.07144	0.7
196.08789	0.6
197.06003	1.5
197.09630	0.9
199.07394	0.5
205.06519	0.7
206.07294	1.0
206.12434	0.4
207.06363	0.7
207.08130	0.9
207.10089	1.0
208.08795	0.5
209.06044	0.8
209.09531	0.6
210.06737	1.7
211.07474	2.5
212.08275	0.8
213.09090	1.0
215.10704	0.9
219.10202	0.7
221.06027	1.0
221.09564	2.4
222.10416	0.7
223.07483	2.5
223.11058	0.9
224.08369	1.2
225.05481	0.6
225.09132	2.2
227.07097	2.1
227.10663	1.1
234.06764	0.9
235.07544	1.2
236.08299	0.5
237.05447	0.6
237.09131	1.7
238.06270	1.5
238.09839	2.3
239.07048	3.0
239.10629	1.9
240.07764	6.4
241.08597	1.5
248.08179	0.6
249.09048	1.5
249.11273	2.0
250.09901	0.6
251.06909	2.1
251.10631	0.8
252.07726	2.4
253.08589	14.5
253.12212	5.0
254.09328	2.0
255.06531	1.9
255.10121	3.7
256.07172	0.6
257.08081	1.7
263.07077	0.7
264.07788	0.8
265.08563	1.3
266.09427	2.8
267.06494	1.5
267.10153	2.7
268.07285	1.9
269.08072	3.3
269.11731	0.6
270.08752	2.0
271.13272	1.5
277.08530	1.5
279.10117	1.4
281.08026	3.9
281.11685	4.3
282.08847	1.8
283.06320	0.8
283.09607	6.7
284.10400	2.5
285.07825	0.9
285.11188	3.0
285.14716	1.3
293.08051	0.8
294.08752	1.4
295.09634	3.8
296.10452	0.7
297.11182	1.4
298.11761	2.8
299.09436	0.5
299.12735	5.5
303.15939	1.0
309.11145	5.9
310.11871	2.4
311.12613	0.8
313.10669	7.9
313.14365	3.4
316.13229	0.9
325.10812	0.6
326.11356	0.9
327.12247	27.0
328.12900	2.3
329.14081	0.9
331.15308	2.8
339.12296	1.4
341.13828	4.1
343.15210	0.9
357.13287	1.8
359.14847	100.0
360.15295	2.4
371.14771	5.4
372.15662	1.5
505.18890	0.6
537.20605	0.5
585.22791	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13728	3.3
55.01889	4.0
65.03935	3.8
65.11266	3.2
71.52763	6.1
79.05490	7.0
81.07066	4.8
82.30347	3.4
91.05477	40.3
91.78877	3.6
95.05006	6.2
105.07028	10.7
107.04944	47.5
115.05428	5.8
117.07011	12.4
119.04946	9.8
119.52887	3.6
121.06533	12.1
129.07036	5.3
133.06502	8.3
135.08054	12.4
137.05957	11.0
146.07216	11.1
146.59349	3.8
147.04420	4.7
147.08055	13.7
150.06728	25.2
151.07529	78.0
151.08679	7.0
151.38313	3.5
161.06000	7.8
162.06908	7.0
163.07521	39.7
164.08232	6.2
165.05521	4.0
165.09103	100.0
171.08170	4.4
175.07535	20.7
176.08286	4.4
177.05479	4.6
177.09120	14.8
178.09874	52.5
179.10625	13.1
181.06499	5.1
183.08044	8.1
187.07550	4.4
189.09122	56.5
193.08653	7.0
194.09479	4.8
195.08008	5.4
195.10190	5.3
200.78258	3.9
203.10675	11.9
207.10234	6.2
211.07617	6.3
217.12219	5.9
218.09349	4.5
223.07487	5.4
223.17726	3.8
224.08264	5.3
225.09062	10.9
226.09933	8.5
235.07562	5.6
241.08667	5.3
242.09244	4.8
253.08495	6.8
269.08133	5.4
277.51218	3.8
285.11194	28.9
294.12521	4.4
295.09613	3.9
297.11212	9.3
310.12039	5.8
313.14316	6.8
324.13190	6.7
325.14334	23.3
327.15857	8.0
344.52759	3.9
413.19513	55.4
534.25867	4.6
551.26282	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	586.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.5
67.05502	2.1
69.26899	14.0
75.16823	1.3
79.05485	7.4
81.07069	1.3
91.05472	22.1
91.65072	1.1
93.07043	1.6
95.04939	3.5
100.24766	1.3
103.05457	5.7
105.07027	9.7
107.04939	30.1
107.08601	1.3
108.05715	3.3
109.06484	2.0
115.05431	3.4
117.07005	4.1
119.04951	8.5
119.49783	1.2
120.05749	1.5
121.06483	8.5
123.04398	3.7
123.08058	2.2
128.06276	2.0
129.06966	4.0
131.04982	3.0
131.08488	1.9
132.05739	1.4
133.06488	6.3
134.07254	3.7
135.04384	5.7
135.08034	7.7
136.05153	5.1
137.05954	9.9
139.03828	1.2
144.05647	1.2
145.06424	5.5
145.07454	1.6
146.07237	6.0
147.04401	2.2
147.08006	5.4
149.05977	4.2
150.06773	11.9
151.07527	72.1
153.05363	1.8
153.06992	1.4
157.06445	3.8
158.07285	1.5
159.08038	2.5
161.05991	1.9
162.06744	5.9
163.07513	28.0
164.08293	3.1
165.05415	5.2
165.09096	100.0
166.09372	1.3
171.07924	1.3
174.06723	6.0
175.07484	11.5
176.08119	1.5
177.09122	9.1
177.13795	1.4
178.09862	22.7
179.08649	1.4
179.10646	4.1
180.07784	3.7
180.26888	1.2
181.06418	4.0
182.07249	3.7
183.07976	2.8
187.07587	2.7
189.09065	22.8
193.06747	1.2
193.08595	2.7
194.07336	1.4
194.09415	3.7
195.08063	2.6
195.10095	2.2
199.07462	2.7
201.09047	1.6
202.09718	1.9
203.10661	2.5
204.78967	1.3
208.08614	1.8
209.09717	1.8
210.06705	4.3
211.07507	5.9
217.08430	1.7
217.12224	5.9
219.10143	2.5
222.06740	2.2
223.11407	1.4
224.08191	2.4
225.09111	7.5
226.09790	7.0
227.07076	1.5
227.10562	2.2
238.09450	1.3
241.12212	4.3
242.09315	2.9
249.09027	1.9
253.08476	4.1
253.12204	1.7
254.09413	2.4
255.10107	5.2
265.12216	2.6
267.10132	3.3
269.11642	4.0
279.10089	3.1
282.12592	2.2
285.11139	20.6
286.11813	2.6
287.12772	4.7
293.11636	4.9
294.12350	3.7
295.13318	1.6
297.11157	6.7
310.11960	4.6
311.12753	5.1
313.14468	6.7
325.14304	24.5
327.15887	20.5
351.16025	1.5
356.16144	6.8
379.19083	6.1
413.19446	3.4
462.20212	7.3
463.21027	11.4
489.22495	4.0
517.25983	6.8
534.25360	1.6
551.26575	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	586.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.2
57.07071	34.5
67.03034	1.5
69.07059	2.4
71.08621	29.7
71.49777	1.4
71.52245	2.2
73.06567	9.0
81.07029	1.9
83.08618	2.7
85.10178	23.4
87.04448	7.6
89.06023	100.0
92.57685	1.5
95.08633	2.3
97.10149	2.8
99.11732	5.0
105.07022	2.3
107.07045	3.6
117.09131	6.4
119.08551	3.4
120.01752	1.5
129.06976	1.6
130.08586	2.8
131.07014	1.9
133.08594	50.6
133.10083	2.3
155.17937	4.0
177.11235	17.7
184.07219	1.8
199.20592	3.0
221.13844	3.7
240.23099	2.1
243.23163	9.2
265.43930	1.8
283.17657	1.8
287.25781	4.4
375.85974	1.7
415.24887	2.0
569.42407	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	587.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01856	2.6
55.05495	1.7
57.07052	0.9
61.89518	0.6
65.03943	1.3
67.05503	3.5
69.03407	2.6
69.07043	2.1
69.30441	0.6
71.04993	0.5
71.52843	1.2
79.05500	3.8
81.03391	2.5
81.07047	7.7
83.04945	1.0
83.08611	0.7
85.02879	3.3
85.06519	0.8
91.05470	3.8
93.07030	7.6
95.04984	3.1
95.08608	3.4
95.47096	0.5
97.02874	2.4
97.06526	2.3
97.10159	1.2
105.07009	3.6
107.04945	4.0
107.08578	4.3
109.02864	5.7
109.10139	3.9
111.04433	1.3
117.07010	1.2
119.04931	4.6
119.08555	1.6
121.02880	1.1
121.06484	5.0
121.10144	1.8
123.04417	60.3
123.11695	9.4
125.05938	0.6
127.03870	2.1
129.07054	0.9
131.08588	1.7
133.06520	0.9
133.10088	1.4
135.04407	9.7
135.07993	1.4
135.11668	6.7
137.02261	1.0
137.05998	3.3
137.09607	0.5
139.03900	10.3
139.11174	0.8
141.06978	0.8
143.04901	1.3
143.08443	0.7
147.03238	1.2
147.04395	17.9
147.08032	1.1
147.11665	0.8
149.05956	1.7
151.03891	36.9
153.05435	4.4
155.08568	0.7
157.10167	0.9
159.04330	0.6
159.08017	0.8
161.05945	5.8
163.03923	4.8
163.07542	4.1
165.04163	1.1
165.05476	15.0
165.06900	1.1
167.07074	1.2
169.04926	4.6
169.06400	1.3
171.08009	1.6
171.11757	0.9
173.06021	3.6
175.03899	1.2
175.07518	2.5
175.11230	0.6
176.08151	0.7
177.05397	2.6
179.03403	0.8
179.07060	3.3
181.04930	5.0
181.06380	0.8
183.02911	1.0
183.08084	0.8
187.07518	1.7
189.05481	3.2
189.09100	1.2
191.06999	9.9
193.04932	12.3
193.08575	1.2
197.06055	1.7
199.07503	1.2
203.07050	1.2
205.08597	3.8
207.06462	6.9
211.07553	1.5
215.06970	4.6
217.08577	7.1
225.05388	0.8
229.08640	0.7
231.09929	0.6
239.07010	1.7
243.06511	1.8
245.15321	0.8
255.13724	2.8
257.08008	1.1
261.07388	0.8
267.06625	0.6
273.14835	29.0
285.07590	8.4
285.14966	0.6
300.53748	0.7
303.08612	100.0
304.09024	1.6
324.10074	0.6
324.36185	0.6
341.10229	0.9
343.11700	2.4
357.13141	1.2
367.15607	0.7
369.13290	2.2
407.18729	1.1
425.19556	41.1
524.37012	0.6
587.20874	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.01862	2.0
55.05498	1.8
57.07034	0.6
65.03925	0.9
67.05498	4.4
68.99754	0.6
69.03413	2.2
69.07056	5.2
71.52399	0.6
71.52850	1.2
79.05489	5.3
81.03410	3.5
81.07037	8.9
83.04967	1.0
83.08585	0.7
84.56355	0.6
85.02891	2.2
91.05466	5.9
93.03378	0.9
93.07034	9.5
95.04939	3.0
95.08598	3.2
97.02892	1.8
97.06522	2.0
103.05420	0.9
105.07003	3.2
107.04935	3.7
107.08591	6.4
109.02878	7.9
109.10140	4.9
111.04414	1.6
117.07000	1.9
119.04958	4.6
119.08560	2.1
121.06479	4.2
121.10130	1.6
122.10921	1.0
123.04414	64.2
123.11687	10.8
125.02333	0.8
125.05947	1.2
125.09631	0.6
127.03891	1.9
129.06921	0.9
131.04901	0.8
131.08530	2.4
133.06451	1.2
133.10071	0.9
135.04407	11.1
135.08043	2.3
135.11661	7.2
137.02354	0.9
137.05978	4.3
139.03891	11.4
143.04875	1.1
143.08458	1.5
145.06474	1.4
145.10115	1.5
147.03226	1.2
147.04384	19.0
147.08035	1.1
147.11717	0.9
149.05981	1.4
149.13332	0.7
151.03883	41.1
153.05450	4.2
157.10072	0.9
159.08015	1.0
159.11653	1.0
161.05972	5.5
163.03879	5.2
163.07533	6.1
165.05460	18.6
169.04977	7.7
169.06403	1.1
171.07961	1.4
173.05908	3.2
175.03902	1.3
175.07497	2.8
177.05435	2.8
177.09177	1.4
177.12727	0.9
179.03355	1.4
179.07039	3.9
179.08389	0.8
181.04955	4.1
183.02907	0.9
187.07544	2.3
189.05428	3.8
189.09106	1.3
191.06995	10.1
193.04950	12.5
193.08591	0.9
197.05951	1.2
199.07536	2.2
201.09126	0.7
203.07047	2.3
203.10628	0.9
205.08546	5.6
207.06494	6.8
211.07536	1.7
215.07024	3.2
217.08565	13.8
225.05411	1.3
231.06467	1.1
231.10101	1.5
239.06972	1.0
243.06540	1.8
249.07549	0.7
255.13809	4.4
257.08047	1.4
267.06241	1.0
273.14819	46.6
274.15265	0.8
285.07474	7.3
303.08594	100.0
304.08899	2.4
343.11703	1.9
357.13379	2.2
369.13364	2.6
407.18448	1.2
425.19522	48.9
426.20126	0.9
435.20157	1.0
587.31824	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06921	0.5
55.01862	2.0
55.05504	1.8
57.03418	0.7
57.07057	0.6
65.03939	0.6
67.05502	3.7
67.87109	0.5
68.99789	0.6
69.03416	1.5
69.07059	2.1
70.56662	1.0
70.57043	1.3
77.64867	0.6
79.05498	4.0
81.03404	2.2
81.07053	5.8
83.04993	0.8
85.02885	3.6
91.05475	4.7
93.07037	6.2
94.61359	0.5
95.04958	3.9
95.08587	3.1
95.77080	0.5
97.02885	2.3
97.06530	1.5
97.10137	0.5
99.00816	0.5
105.03381	0.9
105.07023	1.6
107.04953	3.2
107.08602	4.3
109.02867	5.6
109.06500	1.0
109.10134	3.0
111.04418	0.9
117.06991	1.0
119.04914	4.4
119.08599	1.3
121.02888	0.9
121.06490	4.5
121.10094	0.9
123.04422	53.1
123.11703	8.5
125.06023	0.8
127.03908	1.4
131.08560	1.2
133.06462	0.7
133.10133	1.0
135.04396	9.2
135.11688	4.7
137.02348	1.3
137.05974	3.0
139.03894	8.7
143.04921	1.0
143.08571	0.9
145.22015	0.6
147.04393	14.4
147.08003	0.7
149.06010	1.0
149.09671	0.7
149.13278	0.8
151.03891	35.8
153.05467	3.5
155.08446	0.5
157.06561	0.6
159.11749	0.8
161.05975	3.6
163.03906	4.1
163.07542	3.4
165.05473	11.7
165.06870	1.1
169.04962	4.5
169.06523	1.5
171.08101	0.5
173.05991	2.5
175.03899	1.7
175.07547	1.4
177.05486	1.4
179.03497	1.0
179.07036	2.4
181.04973	4.4
183.02849	0.7
185.13431	0.5
187.07541	2.1
189.05461	2.2
189.09036	0.7
191.07021	8.8
193.04971	12.6
193.06715	0.9
193.08545	1.1
197.06029	1.1
199.07532	1.6
203.07021	0.9
205.08644	2.5
207.06512	4.8
211.07570	1.2
213.09041	0.6
215.07086	3.4
217.08647	4.7
231.06519	0.7
239.07018	1.6
243.06593	1.6
249.07573	0.6
255.13815	2.4
257.08014	1.2
267.06436	1.3
273.14838	22.7
285.07535	8.0
301.14346	1.3
303.08612	100.0
304.08942	1.1
343.11865	2.7
369.13202	1.3
407.18549	0.7
425.19577	30.8
587.31824	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01863	1.7
55.05499	1.7
57.03416	0.6
61.02912	0.6
65.03932	0.8
67.05505	2.8
69.03411	2.6
69.07055	1.3
69.42854	1.3
69.43262	3.9
77.03915	1.0
79.05488	3.0
81.03409	3.2
81.07044	5.8
85.02893	4.5
91.05449	4.2
93.07038	7.2
95.04948	2.3
95.08573	2.8
97.02870	2.9
97.06510	1.1
97.10154	0.6
105.03389	0.7
105.07012	2.0
107.04932	2.5
107.08582	4.3
109.02870	6.2
109.06506	1.3
109.10139	2.3
111.04388	0.8
113.96941	0.6
115.05426	0.8
116.21548	0.6
117.06987	1.1
119.04922	3.9
119.08528	1.2
121.02863	0.8
121.06483	3.1
121.10103	1.6
122.10928	0.6
123.04413	50.7
123.11695	7.9
125.06010	1.1
127.03904	1.5
129.07014	0.7
129.81934	0.6
131.04929	0.7
131.08620	0.8
133.06453	0.9
133.10092	1.4
135.04401	9.3
135.08025	0.8
135.11691	4.1
137.02365	0.7
137.05977	3.2
137.09525	0.6
139.02928	0.8
139.03891	8.8
141.06955	0.7
143.04880	1.1
143.08514	1.0
145.06502	1.0
145.10086	0.9
147.04398	17.2
147.11650	0.5
149.05922	1.8
149.13226	0.6
151.03886	33.2
152.04454	0.6
153.05467	4.2
159.11713	0.5
160.05298	0.7
160.11415	0.6
161.05969	4.5
163.03905	5.2
163.07544	3.8
165.05461	12.6
167.08415	0.6
169.04947	4.7
169.06364	1.3
171.08167	0.8
173.05988	3.4
175.03894	2.0
175.07542	1.8
177.05470	2.0
177.09102	0.6
179.03432	0.8
179.07031	2.6
181.04973	4.0
187.07509	2.0
189.05421	2.3
189.09081	0.7
191.07004	7.3
193.04950	12.9
197.06006	1.0
199.07526	1.6
201.05330	0.6
203.06993	1.0
205.08597	2.6
207.06506	5.3
211.07397	0.7
213.09053	1.2
213.12784	0.6
214.17982	0.6
215.06990	3.5
217.08617	3.8
239.07037	1.7
243.06474	1.3
249.07536	0.8
255.13766	2.0
257.08163	1.3
261.07434	0.7
267.06339	0.9
273.14816	23.6
285.07550	8.9
301.14200	0.6
303.08597	100.0
304.08969	1.1
343.11691	2.4
357.13269	1.2
369.13260	1.9
425.19531	28.0
569.30566	0.9
587.31598	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03083	1.7
56.38961	1.7
63.01841	2.0
67.05463	2.3
68.04597	1.8
69.47707	8.6
69.48135	7.8
79.05465	3.7
81.03397	1.9
85.40839	1.7
91.05469	6.1
93.07058	2.5
95.04979	3.4
98.20671	3.3
103.05457	2.3
105.07011	12.3
109.10097	2.1
110.44988	1.9
119.04919	6.3
119.08543	2.0
131.04865	2.6
133.06445	14.7
135.04404	3.3
135.07973	4.1
137.05936	7.9
139.03897	2.4
146.05940	1.9
147.04347	5.7
150.06729	7.5
151.07475	3.7
161.05942	3.7
163.07494	2.4
165.09105	9.5
167.07007	7.5
172.07474	2.4
179.07059	5.5
193.08585	53.9
193.10309	4.2
211.09615	100.0
214.05409	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	588.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03083	1.7
56.38961	1.7
63.01841	2.0
67.05463	2.3
68.04597	1.8
69.47707	8.6
69.48135	7.8
79.05465	3.7
81.03397	1.9
85.40839	1.7
91.05469	6.1
93.07058	2.5
95.04979	3.4
98.20671	3.3
103.05457	2.3
105.07011	12.3
109.10097	2.1
110.44988	1.9
119.04919	6.3
119.08543	2.0
131.04865	2.6
133.06445	14.7
135.04404	3.3
135.07973	4.1
137.05936	7.9
139.03897	2.4
146.05940	1.9
147.04347	5.7
150.06729	7.5
151.07475	3.7
161.05942	3.7
163.07494	2.4
165.09105	9.5
167.07007	7.5
172.07474	2.4
179.07059	5.5
193.08585	53.9
193.10309	4.2
211.09615	100.0
214.05409	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	589.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	5.2
55.05495	19.8
57.03415	9.1
57.06807	7.1
57.07068	48.4
67.05502	39.5
69.07053	20.0
71.08620	35.1
79.05487	32.3
81.07062	48.5
83.08609	17.3
85.10175	19.5
91.05495	47.9
93.07040	45.8
94.07657	4.0
95.08606	59.5
97.10126	8.6
98.20779	9.8
105.07028	64.5
107.08597	32.5
109.10134	26.6
117.07033	14.2
119.08591	44.6
121.10123	17.7
125.76803	4.4
131.08562	22.2
133.10110	46.5
135.11685	21.3
145.10139	15.4
147.11664	47.6
149.09538	6.0
149.13271	12.4
157.10179	5.9
159.11691	17.8
161.13240	38.6
171.11765	8.4
173.13179	12.4
175.14795	12.6
180.96127	6.1
185.13266	8.4
231.21121	8.5
241.19600	34.7
257.64709	4.7
259.18048	8.2
259.20557	90.4
268.76318	4.6
277.21503	7.3
313.27353	100.0
333.24237	54.0
399.40784	5.4
535.22784	4.9
571.46844	13.1
589.47919	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	589.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.5
53.03939	3.0
55.05502	17.6
55.56149	1.5
57.03434	13.8
57.07069	42.6
66.47861	1.5
67.05499	43.7
69.07063	19.4
69.83309	4.8
69.83739	4.8
71.04984	1.5
71.08627	26.4
79.05060	2.6
79.05489	36.1
81.07052	49.5
83.08613	13.8
85.06562	1.6
85.10167	11.8
91.05472	44.7
93.07034	41.2
95.04948	4.0
95.08600	37.2
97.06474	2.3
97.10146	8.5
98.21494	1.7
99.08092	2.2
103.05450	1.5
105.07025	48.6
107.08582	19.8
109.06498	2.0
109.10139	13.7
113.09674	1.7
117.06998	13.1
119.08572	47.3
121.10116	20.2
123.11680	5.2
129.07018	8.3
130.07787	1.7
131.08566	17.8
133.10114	40.3
135.11665	14.5
136.73271	1.7
137.13234	2.2
143.08563	7.1
145.10120	18.7
147.11671	40.6
149.09604	2.2
149.13222	7.7
157.10074	6.0
159.11668	17.3
161.13245	36.2
161.14589	1.8
163.11237	2.1
163.14806	3.1
168.61319	1.8
171.11667	12.0
173.13287	11.1
175.14804	15.9
177.12674	2.7
179.63773	1.7
185.13261	9.4
187.14854	3.4
189.12718	1.9
189.16324	1.9
189.24849	1.4
199.14844	7.3
213.16556	2.7
231.20891	8.8
239.23642	4.8
241.19487	44.2
255.58513	1.6
259.20557	94.2
260.21088	1.9
275.19934	1.8
277.21597	2.1
283.73886	1.9
310.78336	1.7
313.27341	100.0
314.27872	1.9
315.23221	9.3
329.83203	1.7
333.24200	49.7
351.25189	2.0
483.98386	1.8
497.43484	2.2
571.47278	10.2
589.39929	2.7
589.48370	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	591.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.3
55.05261	2.3
55.05505	24.1
57.03433	18.0
57.07069	62.2
60.54084	1.8
65.03925	3.0
67.05497	97.8
69.07058	26.4
69.88176	7.6
71.04974	3.7
71.08623	38.9
79.05012	1.5
79.05483	52.4
81.07046	99.0
83.08607	16.1
85.06520	2.7
85.10169	18.9
89.06033	3.3
91.05468	24.6
93.07033	66.6
94.07401	1.4
95.04956	1.9
95.08595	81.3
96.08934	1.5
97.06512	2.6
97.10162	7.0
99.08071	1.5
105.07019	21.3
105.07687	1.8
107.08579	43.8
109.06552	2.6
109.10143	38.0
111.08073	2.0
111.11700	2.6
117.06976	10.4
119.08571	18.2
120.54639	1.6
121.10133	29.7
123.11700	16.7
127.89697	1.4
131.08551	17.2
133.10118	14.1
135.11681	24.0
137.13283	5.9
145.10110	12.6
146.31746	1.4
147.10669	1.9
147.11664	8.2
149.09647	1.8
149.13248	13.8
151.14836	2.8
159.11681	11.4
161.13245	7.6
161.28668	1.3
163.14830	7.3
165.12773	1.6
173.13231	12.2
175.14861	3.8
177.16383	3.5
187.14868	7.2
201.16426	2.7
233.22672	2.5
239.23682	5.2
243.21027	14.4
245.81635	1.4
257.24759	2.5
261.22095	69.2
262.22485	2.8
279.23126	3.0
291.23129	1.3
299.23578	2.8
312.66855	1.4
313.27325	100.0
314.27737	4.7
317.24692	12.6
335.25769	69.3
336.26151	3.0
453.72906	1.5
573.48749	20.0
591.49774	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	592.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25315	26.8
62.13030	26.9
66.06977	26.1
78.12059	30.2
79.57294	27.9
144.29987	28.7
188.88890	27.5
280.73056	26.9
389.63861	35.6
390.21808	32.8
459.72736	36.9
515.81476	37.8
515.91956	34.1
592.26471	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62432	1.3
53.03938	1.4
55.01857	2.0
55.05495	4.1
56.05025	2.9
60.04530	2.4
62.71693	1.4
67.05497	13.1
69.03417	3.2
69.07069	3.6
69.57156	5.5
69.57590	5.0
71.04982	4.1
79.05486	13.1
80.05020	3.7
81.03417	2.6
81.05768	3.6
81.07042	12.5
82.06567	4.4
83.08617	2.5
85.02902	2.1
85.06529	1.4
87.04474	2.7
91.05479	4.7
93.07036	19.8
94.06567	19.6
94.81446	1.3
95.04964	4.6
95.08593	17.6
96.08116	3.2
97.06525	4.7
97.10153	1.5
98.20803	2.5
102.58514	1.3
105.07023	12.7
107.07308	5.0
107.08626	1.9
108.08115	1.9
109.10145	2.1
110.09663	8.9
111.08070	14.3
116.10928	1.2
122.09651	36.2
123.08046	24.0
128.10701	30.7
140.10687	100.0
141.09071	8.6
158.11787	8.3
161.91333	1.6
272.25809	6.8
277.68213	1.3
309.60632	1.3
350.51877	1.3
357.58606	1.4
364.32217	2.7
376.32224	1.7
382.33124	10.3
394.33105	20.3
412.34158	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	593.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	0.4
69.03417	0.6
71.04998	0.5
71.52850	1.0
75.42397	0.5
84.01888	0.6
91.05455	0.7
95.01086	1.0
96.01885	0.7
97.02859	0.7
105.07014	0.7
113.02118	1.9
113.96855	0.5
119.04906	1.1
123.04404	7.6
123.17718	0.5
127.03854	0.5
133.06422	0.7
135.04396	1.1
137.05962	7.0
139.03882	8.4
147.04356	2.5
149.05969	0.6
151.03883	7.9
161.05928	1.0
163.03873	1.7
165.05484	0.9
165.09033	0.6
167.07076	0.7
167.24762	0.7
185.04216	2.8
189.05380	1.0
193.05005	1.0
193.08606	2.0
201.03719	1.5
202.05817	0.7
203.05232	10.1
203.07086	0.8
207.06551	1.7
211.09723	0.8
218.50943	0.5
219.06268	2.4
234.08604	14.2
235.09361	1.3
277.62027	0.5
285.07697	0.7
287.05536	1.1
289.07007	2.2
291.08652	2.0
301.07089	1.3
303.08676	4.4
327.34564	0.6
381.11465	0.8
383.14603	2.6
412.34537	0.7
431.09631	0.6
441.11539	0.7
593.21973	100.0
594.22363	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	593.2747
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
50.23956	0.3
52.11051	0.2
71.19449	0.4
71.19793	0.6
78.53532	0.3
80.64364	0.3
86.03844	0.3
106.45514	0.3
118.68430	0.3
120.98587	0.2
136.65750	0.3
183.09282	0.3
195.65735	0.3
205.99304	0.3
386.19659	0.3
389.17566	0.5
401.17410	0.3
402.18301	0.6
403.18942	1.5
404.19891	0.5
405.20697	0.8
414.17337	0.3
416.20502	0.3
417.16345	0.7
417.21616	1.5
418.21588	0.9
419.22336	1.9
431.18231	4.3
432.18515	1.3
432.24261	0.4
433.24023	3.0
434.24380	0.5
444.19162	0.5
445.19916	4.8
446.20996	2.6
447.21527	2.9
459.20996	1.4
460.22449	6.1
461.23248	4.8
462.24234	0.6
473.23343	1.1
474.24277	0.8
476.25842	0.6
477.22455	0.5
487.24966	0.3
489.26614	0.3
491.24817	0.5
492.25266	0.5
505.21927	3.2
519.23669	0.5
533.25421	14.0
534.26050	1.0
561.24530	0.3
564.23358	0.3
565.27307	0.4
593.27515	100.0
594.27747	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	593.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
66.55295	0.4
69.29285	3.6
69.29700	0.6
73.63649	0.4
78.24934	0.4
79.21475	0.4
111.13805	0.5
206.07895	0.4
239.11932	0.5
389.17603	1.1
402.18506	0.9
403.19171	1.8
405.20782	1.4
416.20465	0.5
417.21201	3.4
418.21548	1.1
419.22345	2.2
431.18109	5.8
431.23599	0.8
432.18716	2.3
433.24167	6.8
434.24661	1.0
445.19861	5.6
446.20596	2.9
447.21603	4.4
448.22214	0.5
449.23074	0.5
459.21515	2.7
460.22559	13.7
461.16904	0.8
461.23260	12.9
462.23761	0.8
463.21530	0.5
473.23276	2.0
474.24472	1.2
476.25763	1.5
487.24866	1.4
489.26639	0.8
491.24658	0.7
492.25421	1.6
505.21780	5.1
515.24506	0.6
518.23016	0.7
519.24231	0.7
533.25458	48.6
534.25702	2.3
547.27887	0.7
564.23352	0.7
565.28491	0.8
575.26733	0.6
593.27527	100.0
594.27997	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56950	2.4
53.03932	7.5
55.01852	6.0
55.05296	2.4
55.05508	22.6
57.03424	3.9
57.07060	9.1
59.97070	2.3
67.05502	35.4
69.03429	12.4
69.07063	31.9
69.82561	12.3
71.04958	5.7
73.02912	3.2
79.05491	25.2
81.03423	22.0
81.07044	100.0
83.04967	7.3
83.08617	14.0
85.02888	15.4
85.06517	8.6
91.05451	22.6
93.07032	49.9
94.07420	2.7
95.04954	14.1
95.08598	86.1
97.02879	10.2
97.06521	11.2
97.10156	15.4
99.04456	3.7
99.08070	6.6
103.05441	3.3
105.07025	29.4
107.04955	3.5
107.08581	47.8
109.02891	9.3
109.06525	5.5
109.10152	52.9
111.04418	6.8
111.08045	10.1
111.11716	7.7
115.03902	3.2
117.03399	3.0
117.06980	8.7
119.04920	3.4
119.08570	29.2
121.06493	8.7
121.10125	29.6
123.04430	6.1
123.08031	3.8
123.11689	30.9
125.05979	3.6
125.09634	10.4
127.03905	14.2
129.06950	2.6
131.04922	4.6
131.08533	11.7
133.06364	2.4
133.10091	17.6
133.99202	2.2
135.08034	6.3
135.11678	20.5
137.05969	10.6
137.09639	3.5
137.13246	8.0
139.03902	3.5
139.07463	2.5
139.11180	8.3
140.51337	2.5
143.08528	5.1
145.02800	7.6
145.06471	6.8
145.10159	14.7
147.04375	7.7
147.08014	4.4
147.11667	14.0
147.13496	2.8
149.09602	7.2
149.13240	21.8
151.07550	5.7
151.11153	5.1
151.14790	7.9
155.08542	3.2
157.10088	9.7
159.10495	2.6
159.11647	14.2
161.05951	2.6
161.09598	3.7
161.13268	12.7
163.07639	3.2
163.11133	3.1
163.14801	11.6
165.09090	4.4
165.16341	3.3
167.07083	7.5
167.10648	2.9
169.10124	3.3
171.11687	3.2
173.09665	4.2
173.13261	9.4
175.03799	2.9
175.14830	8.7
177.05414	17.1
177.16389	3.1
179.14284	3.7
181.04907	3.2
182.05864	2.5
185.13240	3.1
187.11147	3.7
187.14777	5.1
189.09247	3.1
189.16319	6.3
189.24591	2.5
191.17822	6.6
195.11632	2.6
199.14828	3.3
201.09161	3.1
201.16252	3.3
207.06573	4.7
213.16443	3.9
215.18019	4.8
219.17395	4.1
233.19012	6.4
237.63527	2.6
245.08247	2.5
271.24359	3.6
287.23810	3.4
289.25232	15.3
291.26685	4.1
305.24738	2.8
307.26346	8.0
369.27560	3.1
373.27390	4.2
397.27225	11.6
403.28665	3.7
415.28442	24.7
421.29132	3.7
433.29416	37.3
451.30438	19.9
469.31442	3.0
522.26965	3.3
552.60767	2.4
611.60254	2.5
614.30548	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	594.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01862	0.7
55.05497	2.7
55.97978	0.8
57.03443	1.2
59.04990	1.4
65.03936	1.3
67.05489	2.5
70.58237	2.7
71.04972	0.9
75.04479	17.2
79.05501	4.4
81.03426	0.9
81.07049	2.3
83.04979	3.0
83.90293	0.7
85.06554	4.0
91.05472	5.3
93.07034	2.1
95.04962	3.9
101.06016	1.7
103.05455	3.1
105.06370	1.2
105.07015	9.4
107.04946	1.6
107.08550	2.7
109.06521	1.5
115.05419	1.4
118.04143	1.6
119.04932	1.9
119.08549	0.7
121.06495	6.3
123.08082	1.8
125.09632	1.2
128.06232	1.0
131.04892	4.4
133.06467	2.1
134.03589	1.9
134.31726	0.8
135.04420	1.0
135.08044	9.9
135.21962	0.7
137.05968	2.8
138.06737	1.0
139.07497	3.6
143.10608	1.3
145.02777	0.7
145.06444	1.0
146.07263	2.8
147.04404	2.4
148.05205	1.2
149.05995	10.5
150.06682	1.5
151.07530	9.9
153.05482	1.5
159.08043	1.0
161.05975	100.0
162.06764	4.8
163.07539	16.9
164.08318	1.3
165.05470	3.0
165.09137	3.4
167.07080	3.8
175.07568	2.5
177.05473	1.4
177.09077	4.5
178.06281	1.7
178.09912	2.6
179.07047	8.0
187.07581	1.5
189.05421	8.0
189.09105	2.6
190.06218	1.2
193.08638	3.5
194.09364	18.7
195.06477	0.7
195.10121	4.3
201.09056	1.2
203.07001	0.9
203.10617	1.1
205.08627	4.9
206.05727	2.1
206.09322	0.9
207.06508	6.3
207.10165	0.9
208.07292	2.3
215.10724	0.9
216.29825	0.8
221.08084	1.7
222.08829	1.2
227.10692	0.9
233.08031	1.4
243.10202	1.1
245.11679	3.3
250.08357	2.1
261.08374	0.8
261.11224	1.4
272.10635	1.5
290.11401	2.3
308.12286	0.9
337.16379	2.9
383.86157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.4
57.03440	3.3
59.04985	0.9
65.03918	0.6
67.29552	0.5
69.02366	0.6
70.90642	1.3
70.90980	0.7
75.04468	2.3
79.05508	3.0
81.07035	1.2
83.04963	2.3
85.06547	0.8
87.00382	0.6
91.05448	4.5
93.07037	1.1
93.80480	0.7
94.31490	0.6
95.04948	2.7
101.05986	2.4
103.05470	3.6
105.07024	13.4
107.04956	0.8
107.08593	0.7
109.06445	0.8
115.05408	1.4
117.06990	2.6
117.53312	0.7
120.05701	1.8
121.05670	1.2
121.06500	22.2
123.04409	2.1
131.02679	0.7
131.04945	2.3
133.06468	2.2
135.08043	40.0
137.05978	8.2
138.06757	12.6
139.07416	0.6
145.06471	1.5
146.07254	7.1
147.04367	1.8
147.08011	1.0
149.05940	1.4
149.09622	2.0
151.07561	1.6
153.05449	1.2
153.09079	6.4
161.05965	19.3
162.06749	7.9
163.07532	40.5
165.05446	1.3
165.09068	1.5
177.05385	0.7
177.09091	6.2
180.07813	2.9
190.06119	0.8
193.08574	0.9
195.10153	100.0
196.10559	1.3
205.08315	0.9
207.06519	6.4
208.07277	5.6
232.07318	0.7
233.08011	0.7
243.60696	0.8
290.11368	0.7
308.12473	4.7
464.43451	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.144
Annotation	CHEBI:75667
Peak:m/z	Relative Intensity
55.01867	3.7
62.64592	2.4
62.69691	1.7
65.03933	3.1
67.05517	3.0
68.99784	7.1
71.15511	2.9
77.30232	2.1
81.03420	4.6
91.05472	2.4
91.24235	2.0
95.04954	5.5
97.02883	3.1
99.04462	2.6
105.03373	2.8
107.04961	4.6
109.02877	4.9
111.00812	4.0
111.04442	5.3
117.03461	2.0
119.04925	4.8
121.02866	2.4
122.62673	2.1
123.04420	77.4
124.04754	2.0
125.02338	7.2
127.03912	100.0
130.04988	4.1
131.04871	2.5
135.04408	39.3
137.02310	2.6
138.44778	1.8
139.03893	91.5
140.04233	2.9
141.01802	2.5
143.03394	16.1
143.04451	2.1
143.04958	2.1
147.04398	17.2
149.02284	5.3
149.05986	2.9
151.03870	22.6
155.03429	13.6
155.04703	2.9
157.06425	2.5
159.04422	4.4
161.06015	6.5
163.03909	51.2
165.05490	12.6
167.03400	12.4
169.06529	2.3
171.36417	1.9
175.03941	6.7
177.05386	6.4
179.03387	17.6
181.04919	3.4
185.05859	2.0
187.03928	6.4
189.05489	6.6
191.01871	1.9
191.03383	9.8
193.05028	6.4
197.06201	2.4
199.03867	2.2
201.05469	4.9
203.03363	16.8
203.07149	2.2
205.04944	3.2
207.02864	2.9
207.06396	2.6
213.05473	5.7
215.03336	4.6
215.06802	2.1
216.36871	2.0
217.04999	4.9
219.02930	3.0
229.04988	7.5
231.02966	2.4
231.06534	5.4
233.04370	4.6
241.04973	5.0
243.06479	3.0
245.04436	15.7
247.05981	21.5
257.04453	12.2
259.05905	12.6
261.03888	3.8
263.05518	10.2
269.04367	6.4
271.05954	18.7
273.03885	8.0
273.07358	2.0
275.05447	17.4
283.05957	6.8
285.03983	3.3
287.05481	44.4
289.07047	10.6
291.04904	12.9
291.08572	10.3
299.05432	14.6
300.05865	2.4
301.06973	10.6
303.05075	17.3
305.06448	6.0
307.08047	3.5
311.05521	2.3
315.04865	3.3
317.06534	7.9
329.07669	4.0
407.07458	4.8
409.09073	11.3
415.06268	2.0
425.08640	30.1
427.09866	3.2
437.08456	2.8
443.09665	4.6
451.09653	2.4
622.24384	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	595.1439
Annotation	CHEBI:75672
Peak:m/z	Relative Intensity
55.01865	3.0
65.03930	2.1
67.05502	3.2
68.99792	9.7
70.83752	7.8
74.54834	1.9
77.48665	1.9
79.05510	2.2
81.03403	4.4
85.02914	2.2
88.59312	2.3
91.05435	3.1
95.04942	3.7
107.04938	10.0
109.02857	4.9
111.00785	8.9
111.04436	7.1
114.21281	2.4
119.04928	11.3
121.02876	4.6
121.06483	2.5
123.04410	98.9
123.54959	2.2
125.02364	6.2
127.02967	5.2
127.03900	89.7
131.04929	3.7
135.04401	39.2
137.02347	8.5
139.03883	100.0
142.64084	1.9
143.03423	12.9
147.04388	28.3
149.02382	6.5
149.05884	2.5
151.03883	24.4
153.05585	2.5
155.03346	8.6
159.04405	3.3
161.05959	5.1
163.03865	46.4
164.04375	2.9
165.01773	4.0
165.05440	10.8
167.03381	11.2
172.65143	2.0
173.05922	4.1
175.03929	10.6
177.05452	5.1
177.58826	2.2
179.03398	25.2
181.04958	3.2
185.05954	3.5
187.03900	6.0
189.05504	6.9
191.03369	12.5
193.04947	9.3
197.06001	3.6
199.03946	4.1
201.05435	10.7
203.03375	22.1
203.06969	3.5
205.04909	6.2
207.02914	2.6
207.06555	3.0
213.05415	8.7
215.03348	6.6
215.06912	2.8
217.04959	5.6
219.02882	2.5
225.05444	3.3
229.04881	11.2
231.02968	3.5
231.06403	4.9
233.04451	9.9
234.13042	2.4
241.04929	3.9
243.06517	4.4
245.04393	15.2
247.06009	23.0
249.03976	3.3
251.05446	2.2
255.06592	4.7
257.04391	18.8
259.06009	11.0
261.03912	5.3
263.05460	15.5
269.04416	6.1
271.06015	14.9
273.03915	12.5
275.05472	22.0
281.48581	2.1
283.06024	5.7
285.04031	3.9
287.05429	44.7
289.07040	9.6
291.05011	14.9
291.08560	11.5
299.05493	15.8
301.07019	14.4
303.04962	21.2
305.06470	9.8
317.06503	8.2
406.51501	2.4
407.07547	4.3
409.08896	11.2
425.08600	33.7
427.10242	5.7
443.09644	5.6
451.10089	3.5
543.41199	2.6
617.36664	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	595.1443
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
51.47229	0.1
53.03942	0.3
59.00366	0.2
65.03925	1.3
66.45863	0.2
69.03422	1.5
69.36665	1.7
71.05000	0.3
72.81315	0.2
74.17946	0.2
79.05476	0.3
81.03405	3.6
81.07073	0.3
85.02885	1.3
91.05475	11.1
95.08626	0.2
97.02901	0.7
98.21476	0.3
99.04419	0.3
105.03375	0.2
107.04929	0.6
109.02870	1.2
111.00783	0.3
119.04935	25.2
120.05299	0.2
121.02840	0.6
127.03923	0.6
131.04919	0.3
133.02885	0.2
133.06496	0.2
135.11703	0.2
137.05928	0.3
147.04398	100.0
148.04712	1.1
151.03888	0.2
153.01808	0.9
157.06589	0.3
165.01808	0.5
165.05464	3.3
167.07063	0.4
171.04326	0.2
177.05582	0.2
179.03204	0.2
181.04941	1.3
183.02832	0.3
203.07004	0.2
213.05437	0.4
228.21516	0.2
241.05052	0.2
258.05286	0.2
287.05484	20.6
288.05786	0.4
291.08612	4.8
309.09653	2.0
416.14539	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.2
53.03922	0.3
65.03922	1.9
66.77961	0.2
67.05481	0.3
68.99815	0.2
69.03426	1.3
69.07044	0.2
70.08427	1.0
79.05495	0.3
81.03411	1.5
81.07033	0.3
85.02883	0.8
87.23027	0.2
91.05470	14.0
93.07031	0.3
93.93910	0.2
95.04955	0.4
95.08576	0.3
97.02869	0.3
97.06522	0.2
99.04445	0.3
105.07040	0.4
107.04940	0.8
107.08559	0.5
109.02865	0.7
109.10123	0.4
111.00792	0.3
111.04427	0.2
111.75379	0.2
117.07020	0.3
119.04929	31.3
120.05247	0.4
121.02843	1.6
121.10108	0.3
123.11609	0.3
127.03918	0.9
129.06970	0.2
131.04970	0.3
133.02841	0.4
135.04391	0.4
137.02324	0.4
137.05951	0.8
145.06519	0.4
147.04390	100.0
148.04712	1.2
153.01813	1.6
157.06445	0.3
163.03917	0.2
165.01779	0.9
165.05466	1.1
167.07008	1.0
171.06561	0.2
175.03905	0.4
175.07564	0.2
177.05457	0.4
181.04936	2.2
185.05942	0.3
193.93517	0.2
203.06870	0.3
207.06493	0.9
209.08127	0.3
213.05479	0.5
213.74620	0.2
231.06512	0.4
241.05011	0.6
258.05255	0.5
259.06137	0.2
267.69312	0.2
287.05460	50.1
288.05789	1.0
291.08530	1.3
306.18576	0.2
309.09753	0.5
329.06509	0.4
385.12662	0.4
398.13489	0.2
416.14517	1.6
570.44714	0.2
595.21399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.2
57.03434	1.5
61.02904	1.1
66.04878	0.2
68.99797	0.3
69.03421	0.3
69.95126	1.2
71.04986	8.6
73.02888	1.0
75.04462	0.5
83.04977	0.6
85.02894	12.4
87.04453	0.4
91.03946	0.8
95.04973	0.2
97.02845	0.8
111.00774	0.8
111.04408	0.3
113.57027	0.2
121.02848	1.4
127.03915	0.4
129.05466	3.6
133.02824	0.4
137.02278	0.4
145.04977	0.4
147.04399	0.4
147.06511	1.0
153.01802	2.6
165.01825	1.1
183.02888	0.7
205.11572	0.3
213.05365	1.0
231.06421	0.6
235.52319	0.3
241.04895	0.6
253.49437	0.3
258.05145	0.9
259.06012	0.4
265.40515	0.3
287.05457	100.0
288.05798	1.8
299.05731	0.3
315.22614	0.3
329.06586	0.5
449.10901	0.5
479.81146	0.3
585.77563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1649
Annotation	Datiscin
Peak:m/z	Relative Intensity
52.54520	0.4
54.31562	0.4
54.78672	0.3
57.03432	2.3
60.11058	0.4
68.99773	0.6
69.03401	1.0
69.35345	3.8
71.04604	0.6
71.04987	12.2
71.64179	0.3
73.02921	0.4
74.71887	0.4
75.04456	0.5
80.74693	0.4
81.29994	0.4
83.04975	0.6
85.02898	14.9
87.04473	0.5
97.02889	1.4
109.02875	0.4
111.00797	0.7
111.04488	0.6
115.39362	0.4
121.02851	2.2
129.05469	2.8
145.04950	0.7
147.06502	0.7
153.01802	2.9
165.01813	1.4
165.71959	0.4
183.02887	0.9
213.05461	1.6
231.06593	0.6
241.05101	0.7
258.05170	1.1
259.06003	0.5
268.38824	0.4
287.05475	100.0
288.05807	1.7
449.10828	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1652
Annotation	Luteolin 4'-neohesperidoside
Peak:m/z	Relative Intensity
53.81002	1.3
55.05500	1.9
57.03433	8.0
69.03432	8.9
70.45971	1.6
70.46310	5.2
71.04604	2.8
71.04989	51.8
73.02908	5.7
75.04462	3.2
81.34831	1.2
83.04979	4.7
85.02903	56.7
93.07037	1.5
95.04948	1.3
97.02879	1.9
97.66299	1.3
99.04458	2.1
109.02898	1.6
111.04414	4.5
113.13976	1.5
117.05458	3.5
121.02845	3.2
127.03907	3.1
129.05487	14.4
137.02324	8.8
147.04442	2.2
147.06517	4.4
149.05966	1.3
153.01825	4.0
153.05486	1.5
163.03766	1.5
163.05971	4.6
165.01830	2.1
175.03914	1.7
177.95563	1.5
178.17461	1.7
181.04979	3.6
189.05382	1.5
201.05553	2.1
202.29526	1.3
229.04996	2.3
257.04489	1.6
274.30145	1.7
287.05481	100.0
288.05917	3.0
299.05469	2.6
302.04303	1.7
303.01556	3.0
303.04980	49.0
304.05164	1.6
315.04935	12.0
316.05869	1.7
327.04770	3.0
341.06635	2.0
345.06046	29.5
353.06552	2.1
358.17676	1.5
367.08105	2.0
369.05887	9.2
395.07593	7.1
413.08685	20.8
416.14468	2.0
431.09668	10.4
449.10687	20.3
484.11401	1.3
555.17700	1.3
595.23700	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1643
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.01894	0.2
57.03410	0.5
58.56664	0.2
62.08940	0.2
64.98820	0.2
65.52877	0.2
68.99780	0.3
69.03421	0.2
70.75207	0.2
71.04665	0.3
71.04993	3.1
73.02898	0.2
76.52597	0.2
81.03412	0.3
83.04935	0.3
85.02428	0.3
85.02896	3.6
91.12485	0.2
93.07037	0.2
97.02863	0.3
107.08598	0.2
109.02872	0.3
111.00766	0.2
114.94656	0.2
121.02847	0.8
123.04406	0.3
127.03857	0.3
129.05455	0.8
137.02336	1.8
145.04855	0.2
147.04449	0.3
149.02345	0.4
151.03923	0.3
153.01797	0.8
157.06497	0.4
165.01826	0.5
171.04439	0.3
181.05005	0.2
185.05969	0.6
189.05423	0.3
203.06949	0.2
213.05392	1.6
231.06494	0.9
241.05005	0.6
259.06137	0.3
269.04324	0.3
287.05472	100.0
288.05804	2.1
303.04883	0.5
311.05511	0.3
449.10809	1.7
464.95392	0.2
595.15991	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	595.1651
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
50.22659	0.2
53.48775	0.3
55.01862	0.4
55.05489	0.5
57.03439	2.2
59.05006	0.3
68.99779	0.5
69.03416	0.5
71.04988	17.5
71.52819	0.4
73.02882	0.4
75.04454	0.9
83.04967	0.3
85.02897	19.6
87.04469	0.4
106.84962	0.3
107.04948	0.7
109.02885	0.5
111.00786	0.6
111.04443	0.8
121.02844	1.9
123.04427	1.6
127.03889	1.3
129.05458	5.4
133.02885	0.3
135.04370	0.5
135.29160	0.3
137.02356	1.8
137.03235	0.3
137.05965	0.4
139.03882	2.2
145.06529	0.2
147.04382	0.9
147.06479	0.7
151.03912	0.3
153.01830	2.3
157.06459	0.3
161.05910	0.3
163.03888	0.7
165.01810	1.2
165.05374	0.3
171.04404	0.4
177.05403	0.3
179.03387	0.3
183.02888	0.6
183.72383	0.3
191.03328	0.3
197.05914	0.3
203.03287	0.4
213.05458	1.5
231.06493	0.8
241.04930	0.6
241.51849	0.3
247.06055	0.5
258.05246	0.9
271.06061	0.5
283.05945	0.7
287.05472	100.0
288.05823	2.2
299.05493	0.5
301.03867	0.3
301.07080	1.1
329.06506	0.5
351.17172	0.3
389.11948	0.4
397.08713	0.4
425.08591	0.8
433.11255	1.1
449.10754	15.9
450.10706	0.6
609.88708	0.3
611.67944	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.05510	8.3
57.03444	7.5
57.07056	1.4
67.05499	31.4
69.03416	1.4
69.07069	8.7
69.29839	1.0
71.04974	2.0
79.05483	16.7
81.03406	11.0
81.06583	2.2
81.07050	30.3
83.04958	1.1
83.08604	3.3
83.18750	0.8
85.02890	3.6
85.06522	1.0
91.05451	9.2
93.07043	19.7
95.04961	2.1
95.08598	25.6
97.06538	1.5
97.10130	1.2
98.98453	27.9
99.04425	2.3
105.07036	5.7
107.08585	10.3
109.02877	9.9
109.10149	8.4
111.08097	1.4
111.09032	1.1
117.06980	2.0
119.08577	5.8
121.10133	7.7
123.11695	3.1
127.03929	1.6
131.08540	3.6
133.10123	3.9
135.11681	4.2
145.10118	1.8
147.11696	2.7
149.13248	2.9
151.70143	1.0
155.01013	2.2
159.11670	2.0
161.13240	2.0
163.14792	1.1
165.09059	1.2
165.65807	1.0
173.02106	1.8
173.13277	1.4
187.14818	1.4
243.21060	1.1
261.03650	7.1
261.22137	3.5
263.23715	1.0
287.05469	2.7
299.99756	1.1
317.06183	1.0
317.24738	1.7
322.85471	0.9
335.07520	2.6
335.25772	100.0
336.26068	2.7
434.14795	1.0
509.99286	1.3
510.07184	1.0
550.31335	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	20.6
56.05029	1.0
57.81128	0.7
58.99554	0.8
62.86853	0.8
65.03917	2.4
67.05470	0.8
68.99781	1.7
71.01480	1.2
71.01833	1.8
74.00649	2.8
76.02198	1.2
76.03986	2.2
81.03379	1.2
81.11270	0.8
83.04977	1.2
83.06079	6.8
84.04494	31.3
93.03396	0.9
95.04939	1.0
95.18156	0.8
97.02889	0.9
99.02656	2.4
99.05598	1.1
107.04958	1.3
109.01106	0.9
111.04430	3.0
112.03949	22.2
123.02750	0.9
123.04406	4.1
124.52695	0.8
127.02126	15.4
127.03907	1.5
129.06584	13.4
130.04982	81.9
135.02611	9.6
135.04356	1.6
139.03883	75.3
145.06210	0.8
147.04376	2.2
147.07613	2.4
149.00539	1.1
151.02087	2.1
151.03912	2.3
153.00105	0.9
153.06586	3.2
155.01598	27.2
161.00560	1.0
161.02219	0.9
163.02119	13.6
163.03879	22.3
163.94762	0.9
165.00027	1.6
165.05457	2.4
175.02133	2.7
178.03223	1.8
179.01602	21.3
181.03159	6.3
181.06059	1.5
183.01086	47.6
189.00064	3.0
189.23653	0.8
190.03181	1.4
191.01588	14.6
193.03250	0.8
193.94295	0.9
195.01047	1.3
196.04228	3.0
199.07219	1.1
203.01624	7.4
207.01079	2.7
208.04260	3.8
209.02628	17.4
218.02606	1.5
219.01001	2.0
221.02718	1.1
226.05217	7.1
236.03629	1.2
237.02118	3.1
242.05772	4.1
257.02655	1.0
262.05310	0.9
269.04462	1.1
270.05078	4.4
271.06027	1.1
275.03650	1.7
281.05869	3.6
282.04257	13.0
288.05566	1.0
289.98157	1.0
299.06894	1.8
303.02884	17.7
312.05292	13.8
329.07980	100.0
330.08118	1.4
346.07437	1.6
347.05719	3.0
357.04047	1.4
364.08273	1.2
365.07913	1.5
383.09006	13.9
395.09036	1.2
432.07330	3.7
440.11203	4.0
441.09134	1.4
449.10120	7.2
458.12231	54.1
467.11282	3.0
493.75223	1.0
503.11133	4.6
521.12207	15.9
578.14203	2.0
596.15356	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	596.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69189	1.4
55.01861	9.3
56.05003	1.7
59.94527	1.6
63.02365	1.5
65.03950	1.7
65.83189	1.4
68.99786	1.7
69.03416	1.7
69.62138	11.6
70.02939	2.7
74.00641	2.5
75.24474	1.4
82.06539	1.7
83.06083	12.4
84.04501	24.0
88.03990	1.8
99.05575	2.1
107.04921	3.1
107.06093	2.1
109.06516	1.9
109.07645	4.4
111.04433	5.3
112.03946	13.5
118.06503	1.6
119.04948	5.5
121.01096	2.2
123.04406	7.9
124.04733	1.5
124.81149	1.6
127.03933	7.2
129.06601	21.4
130.04039	3.4
130.04982	41.3
135.02588	2.0
135.04376	3.8
136.02211	3.3
137.00615	1.8
139.03888	77.5
140.04320	2.0
141.00029	1.8
145.06061	10.9
146.05974	4.5
147.04395	6.1
148.05226	12.2
149.00508	11.9
149.02367	2.3
151.02121	3.8
151.03926	2.1
153.00063	2.1
153.03687	6.0
153.06569	4.9
155.01602	30.2
155.08159	5.0
162.03728	3.9
162.05496	8.8
163.02138	13.3
163.03905	33.8
163.06221	1.7
164.01701	2.7
165.00073	5.0
167.01625	5.2
167.03368	1.8
168.01421	1.5
175.06308	5.0
179.01611	18.5
181.03154	23.2
182.02711	6.7
183.01166	3.5
184.04221	3.6
188.07060	5.4
189.07408	2.1
190.03214	5.3
191.01550	3.1
193.03247	1.6
193.05052	1.9
195.01111	2.7
196.02722	1.5
196.04274	8.3
199.07118	6.2
207.01147	1.9
208.04262	32.1
209.02634	6.1
211.02263	1.5
215.01651	1.6
219.01277	2.8
226.05341	6.4
229.03075	3.6
257.02603	7.8
270.05154	8.4
271.06122	2.4
272.06406	1.7
276.06021	1.9
282.04349	3.6
284.01038	1.6
285.02151	6.5
287.06848	3.0
288.00668	2.7
292.06445	2.2
296.06827	2.7
299.06912	32.4
303.03174	100.0
311.06909	94.6
312.05374	6.2
315.35001	1.8
329.04648	7.4
329.07999	24.8
346.07651	2.0
353.07916	2.0
365.07825	2.7
383.09000	22.4
426.09180	2.5
449.10153	29.4
458.05780	2.5
458.12253	41.3
460.93271	1.6
467.10898	4.3
503.11066	17.0
521.12299	21.8
578.14368	2.5
584.22552	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	596.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.8
61.02923	1.2
69.03407	1.1
71.04982	8.1
71.52951	1.6
73.02885	2.2
75.37228	1.0
79.35973	1.0
85.02895	10.6
85.42563	0.9
86.03240	1.1
96.72077	0.9
97.02863	1.8
107.04900	1.6
115.05467	1.0
121.02837	0.9
128.06181	1.0
129.05458	1.1
129.06995	3.3
131.08537	4.3
137.05948	1.3
139.86617	1.0
144.05696	2.0
147.04373	1.6
153.01807	2.5
157.06470	1.5
159.08040	6.7
161.05991	1.2
161.09596	1.5
167.07028	2.2
170.07269	1.1
171.08131	1.1
173.06012	1.1
173.09598	1.0
177.05464	1.9
178.08653	1.5
181.04977	1.1
187.07469	6.9
189.09073	2.9
201.09094	1.7
203.07068	1.4
204.07806	3.7
207.74161	0.9
216.07899	2.0
219.10124	2.8
221.11755	1.6
231.10144	2.3
231.71762	1.0
233.11708	4.4
249.11188	100.0
250.11537	1.7
251.12675	5.5
267.12341	4.7
287.02255	1.6
287.05457	33.8
288.05792	39.0
289.06033	1.1
303.04953	11.8
552.09924	1.0
596.24774	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45075	1.8
53.03923	2.5
53.18486	1.8
55.01861	4.1
55.05505	14.8
55.11324	2.1
57.03421	5.6
57.07071	5.6
65.03931	4.8
65.19141	2.2
67.05498	85.2
69.03415	3.7
69.07067	15.2
69.80737	12.5
71.04977	2.1
71.08638	2.1
72.77766	2.0
73.02883	3.7
79.05489	42.6
79.45129	1.8
81.03407	3.7
81.07047	94.6
83.08606	7.3
85.02924	3.4
85.06527	3.6
85.37183	1.9
91.05475	32.3
93.07033	64.5
95.04948	4.9
95.08598	68.1
97.06538	2.5
97.10150	6.8
105.07021	21.3
107.08587	36.9
109.02847	5.8
109.06489	2.8
109.10139	35.4
109.10841	3.1
110.03642	3.1
111.04439	2.7
111.17340	1.8
115.03603	2.2
117.07021	9.8
117.99818	2.2
118.96671	2.0
119.08566	21.1
121.10135	44.0
123.11694	19.0
125.09630	4.4
127.03898	4.1
131.08556	22.9
133.10130	18.3
135.08002	1.9
135.11682	29.2
137.09645	2.9
137.13237	6.3
139.11221	2.7
145.10109	15.5
147.11693	12.8
149.13234	28.5
151.14766	2.3
153.12724	2.1
159.11670	20.1
161.13226	13.4
163.11177	2.6
163.14819	15.3
165.12730	3.6
173.13245	19.0
175.14795	4.7
177.12762	2.1
177.16389	8.0
181.51990	2.0
187.14832	11.3
205.15901	2.1
209.77826	1.9
215.17989	2.4
225.04729	2.1
233.22522	5.5
243.21042	37.2
245.14452	1.9
253.36353	2.2
261.22116	100.0
279.23224	4.7
335.25812	22.8
353.26837	31.7
369.24228	3.1
486.85379	2.3
534.02301	2.0
561.27130	9.0
597.11932	2.2
604.08563	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	597.1445
Annotation	Peltatoside
Peak:m/z	Relative Intensity
50.48686	0.6
53.75879	0.7
57.03426	1.8
69.03421	8.4
70.06501	1.3
70.06860	2.9
85.02900	7.8
86.81170	0.6
87.04487	4.2
91.01337	0.6
96.51907	0.6
97.02895	6.0
109.02902	0.9
115.03924	5.1
127.03901	1.2
133.04951	4.1
137.02350	2.9
153.01807	3.2
165.01831	1.7
183.02933	0.7
201.05440	1.4
229.04935	4.0
247.05879	1.5
249.52560	0.8
257.04333	2.9
259.33292	0.7
285.03918	1.1
303.04956	100.0
304.05212	1.7
315.04837	1.1
345.05975	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	597.1806
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
51.86632	5.0
55.01855	8.3
65.03945	5.2
65.05193	4.5
67.92415	5.1
69.03406	4.7
69.99426	30.1
81.03372	8.7
85.02900	25.7
87.46307	4.7
91.05501	6.1
93.03382	19.4
95.04926	5.3
97.02869	14.8
105.03365	5.7
107.04935	21.6
109.02856	11.0
119.04939	15.0
121.02847	18.1
121.06454	6.4
123.04414	15.9
127.03886	13.6
133.06386	5.9
135.04373	19.0
139.03905	11.4
145.06467	7.2
145.23303	4.7
146.24690	4.8
147.04382	29.3
151.03841	11.7
153.01714	5.8
159.04402	9.9
161.05971	12.7
163.03854	17.0
165.01859	7.8
173.06020	12.6
175.00310	6.7
175.03780	5.5
177.01784	16.9
177.05452	6.8
177.14758	5.5
183.02884	6.2
187.03911	5.7
187.07530	4.6
189.01805	22.5
191.03371	17.1
193.05104	6.6
195.02818	35.7
201.05513	13.6
203.03415	13.0
205.04852	8.9
207.02890	46.6
215.03355	15.9
217.05000	6.4
219.02890	100.0
221.04297	8.0
223.02353	10.5
225.03902	27.8
227.03374	5.3
229.04906	15.2
231.02893	35.9
233.04395	20.0
237.03954	17.8
243.02826	27.3
243.06477	8.5
245.04494	7.7
247.05923	4.8
249.03891	26.0
255.02728	6.2
257.04453	18.9
261.03943	92.8
269.04401	8.0
273.04004	41.7
275.05524	7.1
285.03937	46.4
287.05472	8.7
291.04977	24.4
297.03848	18.3
297.06952	11.9
299.05319	6.7
303.05014	39.8
309.03778	9.7
309.07684	5.4
315.05035	12.2
321.06070	17.5
327.04929	45.4
327.08588	23.2
339.07816	31.3
345.06009	11.9
351.08621	22.6
363.07111	32.9
369.05902	7.2
381.09619	31.3
387.07138	10.0
393.09369	23.8
405.08206	37.8
411.10892	7.5
417.09503	9.0
423.09979	16.8
429.11826	28.1
441.10925	31.0
447.10547	18.1
459.12384	17.0
483.12595	10.6
495.12720	13.0
507.12540	9.6
525.13892	9.9
543.14618	12.8
577.09009	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.303
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
55.05509	14.1
57.03417	4.8
57.07061	3.4
67.05492	28.7
69.07053	13.4
70.03707	7.7
70.28099	1.7
79.05486	10.8
81.03390	7.7
81.07043	27.4
83.04929	2.1
83.08612	10.2
86.78767	1.7
91.05463	7.0
93.07024	9.1
95.08598	24.5
97.10172	4.1
98.20821	2.9
98.98457	25.2
105.07016	6.2
107.08564	4.6
109.02859	7.7
109.10125	7.6
119.08556	4.9
121.10149	4.8
127.03915	2.3
127.23361	1.9
133.10109	2.9
135.11676	3.6
137.13217	1.6
146.19353	2.2
147.11676	2.7
155.01007	2.5
161.13283	2.0
173.02188	1.8
261.03683	6.4
335.07303	3.3
337.27316	100.0
428.97864	1.9
435.83316	1.8
597.11768	4.6
597.26971	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	598.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01865	1.0
60.04477	0.8
61.46956	0.9
65.66467	0.7
69.03415	2.5
71.19384	1.9
79.05473	2.6
81.03413	12.8
85.02888	9.7
91.05483	2.8
92.62007	0.8
95.04952	2.5
97.02876	2.9
103.05451	2.1
105.07030	2.7
107.04945	7.1
115.05434	5.4
117.07021	11.5
119.04908	1.1
123.04431	3.5
124.05205	1.8
126.73769	0.8
127.03892	2.2
129.06992	2.5
131.04901	1.3
131.08536	2.3
133.06493	1.8
137.05962	3.2
141.06973	1.2
144.05685	3.1
145.04916	2.0
145.05138	1.4
145.06474	27.3
147.04396	2.5
147.07996	1.3
151.03937	0.8
152.04720	1.2
153.05356	1.3
154.08623	0.8
155.06032	2.7
156.05696	6.4
157.06499	2.1
159.08035	5.6
160.05180	1.0
161.05984	2.7
162.07564	1.3
167.07021	42.1
169.07668	0.8
170.02989	0.9
173.05969	57.0
175.07579	1.4
177.05380	1.0
180.08704	3.8
181.04913	1.2
183.06554	1.1
184.05200	2.0
187.07500	5.2
190.06232	31.4
191.06947	3.0
193.08617	2.2
202.06250	2.8
203.07045	7.5
205.08582	100.0
206.08948	1.5
207.06583	1.6
207.10240	1.6
209.05930	1.3
215.06856	1.1
217.08565	37.8
219.10023	4.7
223.09656	3.7
235.09601	24.4
239.06848	1.0
247.07410	1.5
247.09679	7.1
248.08311	2.1
263.10739	1.1
264.07880	1.0
265.10696	30.8
269.07861	1.2
271.09616	2.0
273.68967	0.9
277.08478	1.3
286.46228	0.9
291.10327	1.0
299.09207	1.2
307.09680	1.3
311.12671	0.8
315.08603	3.3
321.07523	0.9
323.12793	3.1
330.10846	5.0
331.11868	3.6
339.12332	1.0
343.11658	1.3
351.12390	4.3
353.10175	0.9
371.14841	3.8
383.14807	9.8
390.17047	1.0
397.37540	1.1
401.15952	11.7
418.16354	1.4
448.24185	1.0
465.77557	0.9
576.55585	1.1
592.11963	1.2
598.23547	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	598.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56865	1.4
53.03934	2.3
55.01857	1.8
57.03431	1.5
62.87099	1.4
67.05491	1.8
69.03423	5.4
69.37418	1.6
70.98885	4.1
79.05479	5.8
81.03410	11.5
85.02908	9.9
91.05487	7.5
95.04960	2.4
97.02865	4.2
103.05448	2.8
105.07014	4.4
107.04953	8.2
115.05456	6.1
117.06991	12.9
119.04932	5.5
121.06485	1.8
123.04409	7.7
127.03874	2.4
129.06981	3.8
131.04912	2.2
131.08549	2.2
133.06476	3.1
137.05934	9.1
139.03917	1.8
139.07594	2.0
144.05687	3.3
145.06470	32.8
147.04359	13.1
151.03969	1.6
153.05440	1.9
155.05986	3.7
156.05696	8.6
157.06360	2.2
159.08005	5.6
161.05986	5.2
163.03888	4.6
165.05472	2.4
167.07021	41.4
173.05969	53.5
175.04012	1.9
175.07578	2.5
177.05472	2.9
180.08681	2.8
181.04915	2.0
183.06575	2.9
183.08044	2.2
184.05092	2.1
187.07539	7.0
189.09108	1.7
190.06223	31.4
191.06987	2.7
193.08582	1.7
202.06258	5.0
203.07013	6.8
205.08574	100.0
207.06544	2.9
217.08575	39.6
219.08060	2.5
219.10106	3.4
223.09621	2.8
235.09631	28.7
247.09595	4.8
249.11150	3.4
261.09149	2.2
264.07724	2.3
265.10672	32.9
271.09460	1.7
279.09894	1.9
287.05490	5.4
288.05780	4.8
299.70624	1.7
315.08591	3.4
319.09476	2.0
330.10944	6.3
331.11673	2.9
351.12189	5.1
371.14801	3.1
383.14896	10.9
401.16104	9.6
418.16537	2.5
427.17535	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	599.2494
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
51.84955	1.0
55.05507	1.4
58.08933	1.0
67.05499	2.4
74.99908	0.9
76.19581	1.0
79.05456	1.0
81.07047	2.9
88.20634	0.9
89.06031	1.9
91.05447	0.9
93.07034	2.2
95.08599	1.5
95.20960	0.9
98.20756	3.6
105.07031	1.4
112.64068	0.8
121.56188	0.9
133.08644	1.1
138.80249	0.9
148.76472	0.9
222.11586	1.6
223.12207	1.6
235.12357	1.7
237.13931	3.7
238.14656	1.6
247.12274	2.5
249.13997	2.9
251.11914	1.6
261.13904	1.4
279.14954	3.5
294.36142	1.0
314.16537	2.4
324.14804	1.7
325.14615	1.6
326.16107	1.3
328.18018	2.4
329.18802	1.5
330.19656	1.2
336.15152	1.1
337.14944	1.7
338.16168	2.0
339.15979	5.3
340.17517	3.0
342.16125	1.6
349.14645	1.1
351.16299	1.5
352.17651	1.5
353.17715	7.0
354.18381	10.3
358.19202	2.1
361.14398	1.3
363.16211	3.9
364.17297	2.9
365.17822	3.2
366.18475	1.6
367.15411	3.0
367.19400	3.6
368.20236	2.3
369.20779	18.8
376.17053	1.3
377.18036	1.4
379.19220	11.1
380.19952	2.1
381.16742	2.5
381.20825	3.2
382.18073	3.1
389.18143	2.0
391.15265	1.3
391.19675	2.1
393.21149	1.6
395.22955	1.4
397.20313	9.2
403.53705	1.1
405.21152	1.5
408.19833	1.5
409.20282	3.9
410.17456	1.5
412.20294	1.4
419.18475	1.7
423.22308	1.3
425.19733	26.9
437.19659	2.6
439.21259	2.1
440.22397	1.3
441.23120	2.0
444.22446	1.2
450.21661	2.0
451.21417	15.9
452.21936	3.8
453.19019	5.1
455.24570	4.1
456.25476	6.1
461.19379	1.3
462.20544	4.8
465.23132	1.5
467.24332	3.6
468.21536	1.3
469.22122	2.1
483.23746	3.4
484.24640	7.0
493.22644	1.4
495.23273	1.4
497.21960	3.4
511.23138	7.6
512.24164	54.0
513.24261	1.9
521.21741	3.6
539.22839	55.8
555.26489	1.7
571.25305	1.7
581.24420	1.7
582.22345	4.1
599.24976	100.0
600.25183	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	600.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65695	0.2
55.18886	0.2
57.03425	0.2
61.02887	0.2
69.03403	0.8
71.51896	0.2
71.52288	0.3
81.03406	0.3
85.02898	1.7
91.05475	1.5
97.02867	0.9
97.03493	0.2
103.05436	0.3
105.07001	0.6
106.86764	0.2
107.04935	0.8
115.05408	1.1
116.06181	0.5
117.06990	0.6
123.04400	0.4
124.33932	0.2
127.03909	0.3
128.06210	1.3
129.06996	4.3
130.07802	0.2
131.08549	6.2
133.06464	0.8
133.10097	0.5
141.06978	1.3
141.74037	0.2
142.07776	0.3
143.08549	1.0
144.05684	2.1
145.06483	1.0
146.07387	0.4
147.04388	0.4
147.08017	0.3
153.06956	0.7
155.06000	0.4
156.05678	0.3
157.06467	2.3
158.07271	0.5
159.08040	10.4
161.05966	0.5
161.09569	2.4
167.07030	0.9
169.06386	0.2
169.07611	0.8
170.07246	1.7
171.08031	2.1
172.05167	1.0
173.06006	1.1
174.06744	0.6
175.07515	0.8
180.08560	0.3
185.05988	0.4
187.07518	7.5
188.08257	0.3
189.05362	0.6
189.09087	3.8
191.06949	0.4
198.06708	0.5
199.07487	1.5
201.05371	0.5
202.50525	0.2
203.06967	1.4
204.07814	4.6
205.08585	0.7
206.09331	0.4
207.10205	0.3
216.07776	1.3
217.08527	0.6
218.09361	0.5
219.10121	1.9
221.07968	0.4
221.11679	1.2
231.10138	2.9
237.11221	0.9
249.11188	100.0
250.11531	1.0
267.12271	2.8
390.22656	0.2
411.16486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.4
55.05501	4.8
57.07062	11.7
59.04988	2.6
63.01198	2.0
63.36940	2.7
67.05503	13.7
69.03437	9.2
69.07067	5.4
69.37783	2.1
70.97964	2.4
71.53089	3.2
79.05485	10.7
81.07052	19.3
83.04984	5.9
83.08603	2.4
85.06563	4.3
89.06033	3.9
91.05463	23.9
93.07042	31.5
95.04948	12.3
95.08601	17.2
97.06540	3.7
105.07015	47.7
105.07674	3.2
106.07882	2.9
107.04903	1.9
107.08587	23.4
108.30209	2.1
109.06509	11.2
109.10201	6.5
114.14957	2.0
115.05464	2.2
117.07048	8.2
119.04947	2.3
119.08569	58.8
121.06506	3.4
121.10105	19.8
123.08050	16.9
124.08450	3.0
125.05978	11.0
128.06206	3.5
129.07034	8.7
130.07816	3.9
131.08560	21.4
133.06544	4.2
133.08623	4.3
133.10123	19.9
135.08047	14.5
135.11716	4.4
137.09540	13.5
139.07509	3.3
141.07004	3.2
142.07770	12.6
143.08545	19.2
144.09352	4.1
145.10112	35.8
147.08038	27.6
147.11737	5.9
148.08417	2.4
149.09619	9.1
151.07547	13.4
151.11104	2.5
155.08493	10.4
156.09381	8.1
157.10115	30.8
158.10869	5.3
159.08081	6.4
159.11656	23.5
160.12418	2.7
161.09653	9.7
161.13251	6.3
163.11147	17.5
165.09100	51.3
166.07716	3.3
166.09521	3.9
167.08539	3.7
168.09355	5.2
169.10068	17.5
170.10979	3.8
171.11644	18.4
172.12309	2.4
173.09677	7.8
173.13266	7.9
175.11148	20.7
175.14850	3.6
177.09113	3.5
177.11330	2.4
178.09883	2.2
179.08604	4.5
181.10149	3.2
181.12267	16.1
182.10965	3.8
183.11694	14.5
184.12410	3.0
185.09732	3.0
185.13277	8.3
186.14009	2.3
187.11230	7.8
187.14848	5.0
189.12769	8.5
190.13539	5.7
191.10698	6.6
192.09497	2.2
193.10443	3.7
193.12318	13.2
194.10905	2.3
195.11728	7.1
196.12489	3.9
197.13297	9.7
199.11252	7.9
201.12738	8.5
203.14302	20.4
204.14603	2.4
207.11739	6.1
207.13844	12.1
208.14526	4.8
209.13272	8.4
209.15199	2.6
211.11104	3.8
211.14842	6.4
213.12846	5.3
215.14394	2.9
217.12183	2.4
219.13808	5.9
221.13309	4.4
221.15329	100.0
222.15762	11.9
223.14870	4.5
225.16348	3.6
227.14435	4.8
233.13280	2.8
234.16109	16.9
237.12749	3.8
237.16440	3.4
239.17886	3.3
241.15875	3.6
245.15450	3.3
247.14574	3.3
247.16956	30.1
248.17516	4.6
253.15895	3.3
259.17032	3.7
274.19217	14.7
279.17471	3.7
286.19275	5.4
287.19946	10.9
297.18610	6.3
299.20023	17.5
300.20660	3.2
310.19476	3.9
311.20059	4.2
312.20935	7.1
313.21591	5.5
325.21603	13.7
326.21887	2.4
327.23096	2.7
339.23102	6.3
340.23856	15.6
352.23892	25.2
365.24734	4.8
366.25223	4.4
377.26141	2.1
379.26370	4.9
387.25372	3.9
391.26129	2.8
392.26523	3.7
400.01578	2.2
413.26770	5.5
419.29501	11.8
420.29904	4.8
425.26846	7.7
426.27747	6.0
427.28384	11.4
440.29160	35.4
442.30756	2.7
507.34549	3.5
508.35336	7.0
520.35376	29.2
521.36151	4.1
585.38879	4.3
600.41394	39.7
601.41864	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	600.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18748	2.3
55.05498	8.9
57.07072	10.9
59.04976	3.1
61.99952	2.1
67.05483	10.0
69.03409	8.1
69.07051	4.4
69.95383	12.9
79.05473	9.5
81.07046	13.0
83.04958	6.1
83.08599	4.1
85.06517	5.1
89.06012	5.1
91.05469	19.0
92.06250	2.8
93.07030	23.3
95.04933	5.2
95.08605	16.1
97.06515	3.5
103.05444	2.5
105.07025	37.9
107.08575	19.1
109.06509	8.4
109.10181	4.6
117.07012	7.8
119.08573	46.5
121.06479	6.4
121.10139	17.3
123.08056	14.4
125.05979	10.0
128.06232	3.7
129.06999	7.2
130.07803	3.5
131.08540	22.7
131.42499	2.3
133.10120	20.1
135.08032	14.7
135.11668	8.9
137.05928	2.9
137.09590	11.9
139.07452	3.5
141.06941	2.8
142.07732	6.9
143.08545	19.8
144.09282	2.9
145.10107	38.9
147.07092	3.1
147.08046	31.5
147.11671	7.5
149.09607	10.2
151.07515	9.1
155.08543	8.5
156.09283	7.3
157.10094	28.0
158.10770	5.4
159.08066	3.6
159.11638	15.9
161.09584	9.9
161.13240	4.0
163.11168	16.5
165.09097	56.1
166.09460	4.0
167.08565	3.7
168.09296	3.0
169.10139	7.8
171.11684	20.2
172.12413	3.2
173.09563	6.0
173.13268	7.9
175.11119	18.0
177.09087	2.7
178.09930	3.1
179.08432	2.7
180.11313	2.5
181.10158	2.5
181.10649	2.8
181.12236	23.4
182.10825	3.3
183.11674	12.3
185.09558	4.4
185.13211	6.9
187.11115	5.6
187.14728	3.6
189.12752	8.3
190.13452	7.4
191.10634	5.0
193.10338	3.8
193.12196	12.1
194.10933	4.0
195.11690	7.7
196.12418	2.7
197.13228	8.9
199.11301	3.8
199.14943	3.2
201.12743	5.1
203.14305	19.2
207.11836	3.9
207.13760	10.0
208.14479	7.3
209.13246	7.8
211.11189	3.6
211.14793	5.2
213.12682	4.8
215.14398	3.0
219.11760	3.9
219.13786	5.4
221.13359	4.9
221.15332	100.0
222.15755	15.3
223.14876	7.2
225.16264	3.3
229.15721	4.4
233.13298	3.0
233.15408	4.3
234.16122	18.4
235.14684	3.5
237.12619	4.7
239.14346	4.7
243.13744	2.7
247.14978	2.7
247.17021	27.1
248.17468	3.8
249.16389	2.6
259.17017	4.8
261.18436	3.8
267.17477	2.4
271.16876	4.2
274.19312	14.0
279.17374	2.8
281.18994	5.3
287.20102	12.3
293.18793	3.2
297.18610	3.2
299.20044	12.7
300.20566	4.6
310.19348	3.2
311.20105	3.6
312.20676	6.3
313.21597	5.2
325.21490	15.3
327.23212	4.2
337.21573	3.8
339.22946	3.2
340.23981	14.1
351.23401	2.7
352.23950	27.4
360.22775	2.7
365.24573	7.1
366.25613	3.7
379.26392	2.8
387.25159	4.5
391.26154	5.3
392.26654	3.0
396.90192	2.4
413.26907	5.6
419.29364	11.2
420.30072	3.3
425.26685	5.6
426.27924	3.7
427.28503	14.3
440.29160	32.8
442.30716	4.7
508.35217	8.8
520.35382	28.0
521.35956	3.5
585.39447	6.6
600.41449	37.4
601.42340	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	601.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69476	2.4
53.03933	4.1
54.16323	2.0
55.01844	2.7
55.05301	2.3
55.05508	22.3
55.34907	3.1
57.07061	12.8
57.53461	2.0
59.04988	4.1
65.03926	7.8
67.05498	33.4
69.03428	17.0
69.07064	24.3
70.11957	11.1
71.04951	3.0
72.08893	2.1
77.03880	3.2
79.05479	25.0
81.07051	45.0
83.04974	17.8
83.08616	12.2
84.33823	2.5
85.06518	7.4
87.04421	3.6
91.05468	56.9
92.05798	5.0
93.06472	4.2
93.07034	82.3
94.07346	4.7
95.04943	24.7
95.08601	38.8
95.36645	2.4
97.06536	12.4
103.05443	7.5
105.07018	100.0
106.07345	4.9
107.04928	3.7
107.08589	69.8
108.08853	6.2
109.06512	19.2
109.10143	27.7
111.08026	5.8
111.11654	2.6
115.05434	7.6
117.06997	21.2
118.07278	2.8
119.08569	98.5
120.08900	4.5
121.05766	2.2
121.06470	13.7
121.10136	78.6
122.10519	3.6
123.08069	21.3
123.11685	11.4
125.05975	5.1
125.09623	8.8
128.06210	12.9
129.06963	18.2
130.07742	7.5
131.08551	42.1
132.08888	2.5
133.06425	5.0
133.10123	59.1
135.08028	18.2
135.11688	17.6
137.09630	16.0
139.11159	3.7
141.06972	10.0
142.07771	25.0
143.08557	38.0
144.09337	13.3
145.10112	68.3
146.10513	6.7
147.08018	19.0
147.11665	20.6
148.08484	2.8
149.09615	15.8
149.13255	3.3
151.07515	10.8
151.11168	4.1
154.07729	5.5
155.08553	19.2
155.10619	2.6
156.09349	17.3
157.08939	4.2
157.10130	56.9
158.10735	9.9
159.08051	14.8
159.11687	39.7
160.12039	4.3
161.09605	17.7
161.13257	5.1
163.11171	10.2
165.06955	7.5
165.09096	35.9
166.07767	2.8
166.09328	2.6
167.08516	7.2
167.10646	35.9
168.09341	6.4
169.10106	27.1
170.10814	10.2
171.11670	32.6
172.12132	6.7
173.09630	7.1
173.13269	20.9
175.11116	10.1
175.14806	9.1
179.08543	7.7
180.09314	4.3
181.10139	16.6
181.12137	12.3
182.10852	8.9
183.11700	24.9
183.82387	2.5
184.12325	2.8
185.09528	6.6
185.13232	22.9
187.11156	8.4
187.14758	7.0
189.12717	4.6
191.14279	6.8
192.09305	3.1
193.10069	12.3
193.11995	4.0
194.10754	9.5
195.11661	20.3
196.12352	8.8
197.09558	3.6
197.13269	17.5
198.13779	2.7
199.11136	3.8
199.14748	11.0
201.12625	6.6
201.16400	3.0
203.14337	13.4
205.10258	3.9
206.10849	4.3
207.11670	15.3
207.13771	7.2
207.80428	2.4
208.12344	8.0
208.14285	2.8
209.13252	23.2
209.15137	3.8
210.13773	3.2
211.11125	5.1
211.14665	15.3
213.12692	6.2
213.16295	4.7
215.14223	5.9
216.13116	2.5
217.10097	2.8
217.15939	4.7
219.11540	5.2
220.12444	6.6
221.13202	14.5
221.15337	61.2
222.13776	3.1
222.15659	8.7
223.11163	3.7
223.14771	11.1
224.15227	2.8
225.16385	10.2
227.14207	5.7
231.11682	4.1
232.12335	4.2
233.13185	7.7
233.15388	19.5
234.13907	3.8
234.15967	4.5
235.14745	7.6
236.15257	5.2
237.16475	5.6
238.73239	2.3
239.17862	6.6
241.15691	3.8
243.17216	2.5
245.13153	5.2
246.13858	3.7
247.14673	4.5
249.16367	8.0
251.17981	5.6
253.15973	3.8
256.17810	2.4
259.14612	3.0
260.15399	4.0
261.16434	7.8
263.17987	3.3
265.19394	4.7
267.17123	3.0
269.19022	4.7
273.16156	3.5
275.17935	5.0
277.19479	2.8
281.19000	3.6
283.20685	5.1
285.18506	3.4
286.19150	3.6
289.19574	2.9
295.20508	5.0
299.20120	3.6
300.20648	3.7
301.21548	8.0
303.19470	2.5
304.19955	6.4
312.20810	3.7
313.21762	3.6
314.22037	2.6
325.21497	3.2
331.23975	4.6
349.24750	3.1
352.23795	4.6
353.24213	13.6
365.24741	2.8
366.24811	3.0
367.26147	4.6
393.27933	4.2
445.31174	3.2
491.35266	3.3
502.88760	3.4
503.34674	3.0
509.36057	3.1
521.35785	8.9
527.64166	2.6
535.48773	2.4
565.40436	5.7
566.34595	3.4
583.41290	10.4
601.42291	36.2
602.41785	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	601.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.3
55.05503	20.8
57.07057	8.5
59.04984	4.4
65.03925	3.8
67.05502	34.6
67.73429	1.9
69.03423	15.0
69.07063	22.6
69.25431	21.1
70.44227	2.0
71.04977	4.1
79.05482	34.6
81.06585	2.9
81.07047	43.3
83.04977	21.4
83.08614	17.7
85.06512	6.4
87.04459	3.7
91.05472	67.9
92.80627	1.9
93.07034	76.5
95.04966	26.1
95.08601	43.9
97.06513	16.4
103.05466	6.7
105.07024	100.0
106.07345	3.8
107.04942	4.1
107.08578	72.1
108.08879	2.6
109.06502	18.5
109.10143	34.0
111.04453	2.4
111.08101	4.3
113.09607	4.5
114.71709	2.0
115.05413	6.1
115.83077	2.1
117.07016	24.2
119.06073	1.9
119.08572	96.3
120.08866	2.8
121.06481	12.2
121.10137	85.2
122.10455	3.5
123.08086	15.8
123.11671	11.5
125.06020	3.5
125.09643	16.7
128.06229	15.9
129.07007	21.0
130.07768	9.1
131.08560	41.7
133.06490	3.9
133.10121	57.0
134.10493	2.9
135.08049	14.3
135.11682	20.8
137.09581	8.5
139.11116	8.1
141.06975	11.1
142.07767	23.0
143.08557	46.6
144.09354	12.1
145.06511	3.7
145.10118	72.0
146.07228	2.5
146.10585	2.6
147.08066	13.8
147.11678	27.7
149.09613	21.0
149.13191	5.9
151.07503	5.5
151.11162	4.2
153.07010	5.4
153.09070	2.2
154.07745	5.6
155.08537	21.2
155.10637	6.1
156.09308	20.3
157.10130	57.1
158.10825	10.5
159.08069	16.2
159.11671	39.8
160.08797	3.3
160.12029	3.2
161.09642	11.4
161.13234	8.9
163.11159	13.1
165.06946	6.5
165.09082	9.1
166.07852	2.2
167.08626	10.5
167.10661	69.3
168.09296	7.2
168.10823	2.1
169.10120	27.6
170.10861	9.5
171.11673	38.1
172.12111	3.6
173.09593	7.8
173.13255	28.9
174.13689	2.2
175.11217	10.8
175.14778	16.5
177.12698	3.1
179.08560	13.9
180.09235	8.0
181.10118	19.8
181.12219	7.0
182.10896	13.2
183.08153	2.1
183.11667	26.7
184.12250	4.3
185.09555	3.8
185.13243	19.8
186.13777	2.5
187.11119	7.5
187.14781	12.6
189.12712	6.4
191.14299	5.5
192.09261	7.1
193.10135	16.5
194.10876	12.5
195.11673	19.8
196.12366	8.6
197.09521	2.6
197.13217	28.0
198.13704	3.9
199.11186	5.9
199.14824	15.3
200.11864	2.2
201.12701	7.5
201.16457	5.5
203.14279	6.5
205.10080	3.5
206.10840	7.7
207.11630	16.1
207.13562	3.7
208.12370	9.0
209.13252	27.0
210.13924	6.5
211.11206	4.8
211.14813	15.3
212.15352	3.6
213.12747	4.9
213.16312	5.4
215.14284	8.1
217.10092	3.0
217.15782	5.3
218.10843	4.2
219.11679	5.8
220.12395	5.8
221.13213	19.9
221.15366	17.6
222.13982	5.4
223.11226	2.6
223.14786	15.1
225.16435	9.5
227.14240	5.2
229.15852	3.3
231.11588	4.3
232.12350	4.5
233.13153	5.6
233.15317	33.9
234.13803	3.3
235.14729	7.5
235.16856	3.2
236.15483	5.2
237.16400	8.1
239.14236	3.5
239.17897	5.0
243.17368	2.6
245.13228	3.2
246.13927	4.0
247.14697	5.2
247.17065	2.8
249.16341	8.5
251.17908	5.8
253.15913	2.9
253.19391	3.4
255.17462	5.8
257.19025	4.6
259.14761	4.5
260.15512	3.0
261.16418	5.4
263.17990	3.9
265.19455	4.4
267.17563	4.0
269.18973	10.8
271.20105	2.7
273.16177	4.4
275.17871	4.3
277.19431	4.9
279.21002	2.8
281.19019	5.0
283.20404	4.0
285.18564	2.3
287.19937	3.3
289.19434	2.8
293.18927	2.5
295.20468	5.6
301.21793	3.3
311.19983	2.6
317.22598	2.1
349.24936	3.4
361.25256	2.9
367.26358	3.6
565.40424	3.4
583.41010	7.0
598.18750	2.1
601.42438	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	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15298	1.7
53.03938	5.7
55.05507	20.3
57.07059	9.6
59.04998	5.1
65.03915	4.0
67.05499	32.3
68.05836	2.0
69.03410	13.2
69.06708	3.4
69.07055	29.9
69.22439	8.3
69.22863	15.4
71.04987	3.0
79.05480	37.0
81.03395	2.7
81.06577	3.4
81.07043	51.7
83.04970	25.4
83.08614	20.1
85.02934	2.2
85.06534	5.8
87.04451	6.6
89.06017	5.5
91.05465	62.7
93.07034	77.5
94.07354	2.6
95.04953	27.7
95.08599	41.5
97.06522	15.1
103.05463	5.2
105.04491	2.3
105.07018	100.0
106.07277	2.1
107.04900	1.8
107.08584	74.4
109.06501	19.8
109.10151	37.1
110.10504	2.9
111.08055	6.0
113.09623	4.3
115.05457	6.9
116.06255	3.3
117.07013	25.0
119.08570	98.2
120.08951	6.0
121.06497	14.1
121.10130	86.4
123.08069	17.0
123.11689	8.9
125.06016	2.9
125.09605	17.8
128.06201	13.3
129.07025	19.2
130.07756	8.7
131.08559	52.5
133.06453	5.4
133.08595	3.2
133.10121	59.4
133.94647	2.0
135.08029	21.7
135.11705	20.2
137.09595	10.9
139.11125	6.2
141.06996	10.6
142.07748	24.8
143.08548	44.1
144.09352	10.8
145.06468	2.7
145.10109	81.9
146.10442	4.6
147.08038	13.1
147.11679	20.3
148.08411	2.5
148.12001	2.1
149.09612	19.7
149.13200	5.0
151.07516	7.6
151.11151	2.4
152.97681	1.8
153.06989	2.9
154.07733	3.6
155.08559	23.9
155.10628	7.0
156.09338	21.1
157.10117	58.1
158.10724	8.9
159.08063	17.9
159.11674	42.3
160.12163	2.5
161.09616	17.3
161.13211	11.5
163.11163	14.7
163.14890	2.4
165.06976	8.1
165.09091	12.5
166.07686	4.3
167.08575	11.0
167.10655	57.3
168.09247	6.0
169.10112	29.6
170.10832	9.7
171.11667	37.9
172.12134	4.5
173.09595	5.7
173.13231	21.9
175.11237	9.9
175.14801	17.5
177.12566	2.4
179.08549	11.7
179.14244	3.8
180.09245	8.2
181.10071	15.3
181.12152	3.5
182.10962	10.0
183.07898	2.2
183.11668	29.2
184.12299	3.4
185.09616	6.3
185.13217	18.9
186.13809	3.3
187.11188	7.5
187.14813	12.4
189.12720	9.8
189.16335	2.9
191.08557	2.5
191.14305	6.7
192.09308	3.9
193.10143	14.9
193.11737	2.7
194.10873	11.9
195.11658	25.7
196.12364	8.1
197.09508	2.2
197.13213	24.1
198.13594	2.1
199.11195	5.9
199.14790	13.7
201.12733	4.1
201.16333	6.2
203.14284	8.4
204.09319	2.5
206.10841	6.6
207.11699	17.2
207.13580	3.4
208.12416	9.2
209.13260	27.4
209.15175	4.2
210.13762	4.6
211.11182	4.2
211.14804	17.0
212.15265	2.6
213.12711	6.9
213.16396	4.6
215.14262	9.1
217.15765	3.5
218.10938	3.1
219.11761	4.9
219.17253	2.7
220.12355	6.6
221.13210	16.3
221.15364	27.5
222.13916	2.9
223.14769	16.5
224.15276	3.7
225.12679	4.8
225.16345	9.3
227.14200	3.7
230.10884	2.8
231.11612	4.3
233.13203	6.7
233.15294	33.4
234.13847	3.2
234.15967	4.6
235.14778	9.6
237.16298	6.3
239.17899	4.9
245.13351	2.5
246.13918	2.7
247.14784	6.3
249.16347	7.5
251.17908	6.5
253.15782	2.3
253.19589	3.1
255.17368	5.7
256.17688	4.9
257.13159	2.9
257.19012	5.1
259.14758	6.4
260.15582	2.4
261.16229	3.7
263.17908	5.5
265.19553	6.5
267.17355	2.6
269.18951	7.6
273.16144	3.8
273.18768	2.9
275.17682	4.4
277.19363	5.7
281.18921	4.9
283.20563	5.5
287.20157	3.7
289.19324	3.2
295.20477	4.8
299.20132	4.4
301.21835	3.4
309.22070	3.6
311.20169	3.1
317.22482	3.2
349.25146	3.9
361.25104	3.8
367.26309	3.1
377.24750	2.8
554.07538	2.4
565.40198	7.0
583.41370	8.1
601.42334	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	5.8
53.90041	3.6
54.75741	3.3
55.01880	4.2
55.05499	27.0
57.03420	3.9
57.07069	13.6
59.05005	4.4
65.03933	8.0
67.05499	41.6
69.03416	14.6
69.07062	24.6
79.05482	40.0
80.05838	4.7
81.03420	5.1
81.07040	48.1
83.04977	25.6
83.08610	20.6
84.36913	3.6
85.06551	6.4
87.04430	4.1
87.41851	4.0
89.06047	8.5
91.05471	62.6
92.05769	4.3
93.07031	75.4
95.04964	28.8
95.08595	38.4
97.06510	10.6
98.21537	8.8
99.50537	3.8
103.05479	4.9
105.07020	88.5
105.07679	6.7
106.07330	7.1
107.04983	5.9
107.08586	78.9
108.08938	4.0
109.06516	18.4
109.10150	39.5
111.08074	5.9
113.09639	4.4
115.05457	9.4
117.07012	27.3
119.08566	100.0
121.06504	13.8
121.10133	86.8
122.10500	5.6
123.08063	20.5
123.11693	8.6
125.09630	15.2
125.10473	4.1
128.06210	12.1
129.06995	25.9
130.07767	4.9
131.08557	45.7
133.10117	69.7
134.10487	7.4
135.08037	19.0
135.11678	18.8
137.09619	5.6
139.11198	7.5
141.06982	9.2
142.07758	21.5
143.08554	43.6
144.09271	9.5
145.06500	4.9
145.10123	76.2
146.10779	4.1
147.08069	12.9
147.11682	30.4
149.09619	19.1
151.07558	8.3
155.08578	20.0
155.10616	6.8
156.09311	20.2
157.10110	57.9
158.10793	5.9
159.08040	15.1
159.11682	37.8
160.11903	6.2
161.09628	19.8
161.13293	12.0
163.11179	13.8
165.07053	8.9
165.09087	5.3
167.08543	11.8
167.10646	63.6
168.09299	8.0
169.10127	31.2
170.10794	12.3
171.11665	41.4
172.12167	7.4
173.09676	13.4
173.13223	27.4
175.11154	11.5
175.14828	11.5
179.08429	8.0
180.09311	6.4
181.10117	14.6
182.10913	7.6
183.11674	37.7
184.12260	4.8
185.09648	5.2
185.13225	21.8
187.11113	8.2
187.14787	11.1
189.12802	10.2
191.14328	8.4
192.09280	7.4
193.10097	18.4
194.10800	14.0
195.11678	23.1
196.12389	7.7
197.13251	29.7
198.13713	4.7
199.11147	8.1
199.14877	11.0
201.12567	4.3
201.16525	5.0
206.10977	4.5
207.11676	19.0
207.13646	7.0
208.12425	8.5
209.13245	27.0
209.15070	5.1
210.13695	6.3
211.14726	23.2
212.15425	4.1
213.12714	7.5
213.16307	6.4
215.14349	7.5
217.15852	5.9
218.10852	4.0
220.12416	4.9
221.13206	13.5
221.15388	15.3
223.14786	16.8
225.12585	4.3
225.16396	10.1
227.14262	7.2
229.15903	4.2
229.52939	5.3
232.12520	7.2
233.13252	8.9
233.15359	36.9
235.14822	12.5
237.16333	8.7
239.14180	4.1
247.14821	9.6
249.16327	4.6
251.17970	5.1
253.19366	5.0
255.17372	6.2
256.17767	6.1
260.15628	6.6
261.16385	6.4
269.19000	11.5
273.16321	5.8
275.17932	4.3
279.20554	4.3
281.18994	6.3
283.20535	7.1
285.18649	4.8
289.19348	5.8
295.20401	5.6
299.20197	5.8
306.23035	3.7
335.23294	4.6
474.35638	4.4
565.39954	5.1
583.41467	4.8
601.41931	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	601.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	5.8
53.90041	3.6
54.75741	3.3
55.01880	4.2
55.05499	27.0
57.03420	3.9
57.07069	13.6
59.05005	4.4
65.03933	8.0
67.05499	41.6
69.03416	14.6
69.07062	24.6
79.05482	40.0
80.05838	4.7
81.03420	5.1
81.07040	48.1
83.04977	25.6
83.08610	20.6
84.36913	3.6
85.06551	6.4
87.04430	4.1
87.41851	4.0
89.06047	8.5
91.05471	62.6
92.05769	4.3
93.07031	75.4
95.04964	28.8
95.08595	38.4
97.06510	10.6
98.21537	8.8
99.50537	3.8
103.05479	4.9
105.07020	88.5
105.07679	6.7
106.07330	7.1
107.04983	5.9
107.08586	78.9
108.08938	4.0
109.06516	18.4
109.10150	39.5
111.08074	5.9
113.09639	4.4
115.05457	9.4
117.07012	27.3
119.08566	100.0
121.06504	13.8
121.10133	86.8
122.10500	5.6
123.08063	20.5
123.11693	8.6
125.09630	15.2
125.10473	4.1
128.06210	12.1
129.06995	25.9
130.07767	4.9
131.08557	45.7
133.10117	69.7
134.10487	7.4
135.08037	19.0
135.11678	18.8
137.09619	5.6
139.11198	7.5
141.06982	9.2
142.07758	21.5
143.08554	43.6
144.09271	9.5
145.06500	4.9
145.10123	76.2
146.10779	4.1
147.08069	12.9
147.11682	30.4
149.09619	19.1
151.07558	8.3
155.08578	20.0
155.10616	6.8
156.09311	20.2
157.10110	57.9
158.10793	5.9
159.08040	15.1
159.11682	37.8
160.11903	6.2
161.09628	19.8
161.13293	12.0
163.11179	13.8
165.07053	8.9
165.09087	5.3
167.08543	11.8
167.10646	63.6
168.09299	8.0
169.10127	31.2
170.10794	12.3
171.11665	41.4
172.12167	7.4
173.09676	13.4
173.13223	27.4
175.11154	11.5
175.14828	11.5
179.08429	8.0
180.09311	6.4
181.10117	14.6
182.10913	7.6
183.11674	37.7
184.12260	4.8
185.09648	5.2
185.13225	21.8
187.11113	8.2
187.14787	11.1
189.12802	10.2
191.14328	8.4
192.09280	7.4
193.10097	18.4
194.10800	14.0
195.11678	23.1
196.12389	7.7
197.13251	29.7
198.13713	4.7
199.11147	8.1
199.14877	11.0
201.12567	4.3
201.16525	5.0
206.10977	4.5
207.11676	19.0
207.13646	7.0
208.12425	8.5
209.13245	27.0
209.15070	5.1
210.13695	6.3
211.14726	23.2
212.15425	4.1
213.12714	7.5
213.16307	6.4
215.14349	7.5
217.15852	5.9
218.10852	4.0
220.12416	4.9
221.13206	13.5
221.15388	15.3
223.14786	16.8
225.12585	4.3
225.16396	10.1
227.14262	7.2
229.15903	4.2
229.52939	5.3
232.12520	7.2
233.13252	8.9
233.15359	36.9
235.14822	12.5
237.16333	8.7
239.14180	4.1
247.14821	9.6
249.16327	4.6
251.17970	5.1
253.19366	5.0
255.17372	6.2
256.17767	6.1
260.15628	6.6
261.16385	6.4
269.19000	11.5
273.16321	5.8
275.17932	4.3
279.20554	4.3
281.18994	6.3
283.20535	7.1
285.18649	4.8
289.19348	5.8
295.20401	5.6
299.20197	5.8
306.23035	3.7
335.23294	4.6
474.35638	4.4
565.39954	5.1
583.41467	4.8
601.41931	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	602.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79013	0.7
62.36930	0.8
69.03407	1.0
70.81670	2.0
78.04688	1.4
79.05475	3.4
91.05463	1.8
93.07034	0.9
95.04940	0.8
97.02890	0.8
103.05452	3.7
105.07024	4.1
106.04121	1.2
107.04919	5.6
115.05437	1.3
117.06950	0.9
121.06477	2.0
123.04429	4.2
124.05198	2.2
125.05947	1.0
131.04921	7.0
133.06483	4.0
137.05949	3.1
141.06958	0.8
145.06453	3.0
147.04411	1.3
151.07547	3.1
152.04671	1.6
153.05458	0.9
156.92638	0.8
158.07208	1.2
159.08049	1.7
161.05984	6.5
162.07587	0.7
163.07535	13.3
167.07021	100.0
173.05966	1.2
173.09573	1.2
175.07504	2.0
177.09105	3.1
179.06992	3.0
181.08594	5.3
187.07524	2.0
192.07829	1.7
193.08577	16.3
201.09084	1.6
205.08583	1.4
217.08661	1.0
219.10196	2.1
233.11536	3.7
237.11200	2.8
239.05280	0.8
251.12811	1.3
263.10715	1.0
281.82434	0.9
295.13232	1.2
323.12955	1.7
355.15350	10.0
387.17984	11.4
405.19061	22.5
432.48184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.8
56.11239	0.6
57.07071	6.0
58.06588	1.8
65.03936	1.0
69.07076	0.7
70.06197	1.1
70.06586	20.7
70.06959	1.3
71.08624	3.7
71.52589	1.2
79.05483	1.1
83.45229	0.6
88.07622	20.0
91.05454	1.3
102.09174	15.4
102.09805	1.1
105.07001	1.1
107.04944	0.6
119.04935	1.2
121.02844	0.8
123.04475	0.7
125.05982	0.6
131.04932	0.7
135.11685	0.6
137.84453	0.6
147.04391	4.5
149.02332	40.0
151.03966	0.9
151.07529	0.9
156.17523	0.8
165.09114	0.7
175.03918	2.0
177.05533	0.8
180.04240	0.7
191.07161	0.8
193.04951	51.2
194.05276	0.7
200.20078	54.9
219.06525	1.4
237.07570	13.8
244.22746	1.8
264.32727	0.6
269.04413	1.3
283.06537	0.6
287.05490	0.9
288.05930	0.7
297.04016	2.8
300.05695	0.7
313.07086	2.6
341.06552	11.5
346.79663	0.6
359.07578	6.9
385.09149	18.7
406.89676	0.7
429.11783	29.1
430.12338	1.5
468.01459	0.6
483.44537	0.7
540.82611	0.6
584.28491	1.4
602.29547	100.0
603.29846	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	603.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.7
56.46078	0.4
57.03414	0.8
58.79822	0.4
61.02888	0.8
65.13136	0.4
68.99778	1.2
69.03424	3.8
70.16991	2.1
75.19120	0.4
75.26087	0.4
79.51020	0.4
81.03387	1.8
85.02893	5.1
87.04428	0.6
91.03956	0.4
91.05448	1.7
95.04942	0.6
97.02880	3.6
98.17557	0.4
105.07008	0.5
107.04949	0.6
109.02855	1.3
109.07941	0.4
115.05404	0.7
117.06978	0.5
119.04900	2.8
121.02868	0.7
123.04410	17.7
124.05151	0.6
127.03879	1.1
129.06937	1.0
131.08511	0.6
133.06447	0.7
135.04353	1.1
137.02286	1.4
137.05936	1.1
139.03867	1.1
141.01735	0.6
141.06932	1.5
143.04836	0.5
145.04984	0.5
145.06436	1.6
147.04393	10.6
147.07994	0.8
149.05913	0.7
150.66847	0.4
151.03821	1.4
153.01765	0.7
157.06444	1.6
159.04343	0.6
161.05966	6.7
163.03896	2.2
163.07469	0.7
165.05466	3.6
169.06461	1.4
173.05934	2.6
175.02473	0.8
175.03867	6.1
175.07430	0.7
177.05438	2.5
183.04333	1.0
185.05888	3.4
187.03917	0.7
187.07509	2.2
189.05457	6.0
191.07008	0.8
193.04744	0.5
197.05949	2.1
199.03920	0.6
199.07507	0.8
200.04683	0.5
201.05440	5.8
203.03372	0.6
203.05350	0.5
203.06949	2.8
205.04761	0.5
211.03860	1.4
213.05437	12.6
215.03510	3.0
215.07005	11.3
216.04027	0.5
217.04932	8.4
219.06496	1.7
225.05473	2.5
227.03378	0.7
227.07050	1.1
229.04922	7.2
231.06415	2.4
241.04956	2.3
243.06488	19.1
243.08977	1.0
244.03613	1.8
244.06940	0.7
245.04453	4.6
245.08089	0.9
247.05989	1.8
253.04929	1.3
255.06564	1.2
259.05975	8.2
261.07590	1.3
271.05981	14.4
273.04395	0.6
273.07571	3.0
277.06897	1.1
283.06183	0.8
289.07028	100.0
290.07394	2.6
301.06989	1.6
319.08197	0.4
341.10245	0.7
365.10144	1.0
367.07980	1.0
369.09775	2.3
369.18756	0.5
395.11111	2.8
411.10919	0.7
423.10696	2.5
425.12152	0.8
441.11749	78.9
442.12100	2.0
451.12332	3.1
603.07404	3.9
603.16931	5.0
604.07117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12597	2.5
56.96570	19.4
57.03419	3.2
67.48730	2.6
69.03418	6.7
69.98063	13.9
79.69460	2.8
81.07333	2.6
84.23148	2.8
84.96002	4.1
85.02854	13.2
91.05476	4.8
92.41911	2.5
97.02860	5.6
98.20812	3.9
98.83023	2.4
98.97574	92.6
107.78297	2.7
110.97581	6.2
112.99168	2.6
116.98613	58.6
118.92909	2.7
119.01854	4.7
119.04950	4.2
123.04441	5.8
124.66915	2.7
127.03906	4.3
128.98605	15.9
134.99625	22.5
137.05977	9.2
139.03864	4.1
143.00122	4.2
145.01675	3.8
145.02786	3.1
145.04927	3.0
146.99652	8.1
147.03362	2.7
147.04364	13.5
153.00691	2.8
158.99652	41.6
161.01227	3.3
161.02905	5.8
163.02725	4.3
163.03902	6.3
167.07057	5.3
168.84735	2.7
170.99644	3.6
171.03290	4.8
173.02782	4.0
177.00717	51.1
177.05527	3.1
187.02725	2.9
189.00729	3.1
189.04321	11.6
195.01872	6.9
201.00769	6.0
201.04468	3.1
205.80873	3.5
219.01747	19.7
224.62306	3.0
227.06691	5.4
231.05359	3.4
237.02773	36.4
245.04794	4.2
291.07175	13.5
293.05197	5.3
293.10934	3.3
295.04858	5.8
309.08572	58.4
320.03354	3.1
332.10309	4.5
348.07275	2.7
351.09607	100.0
352.05377	3.4
352.09656	3.0
354.07059	9.2
393.11523	3.9
543.19391	9.8
603.18103	4.7
614.94098	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	603.3154
Annotation	trapoxin A
Peak:m/z	Relative Intensity
53.03914	8.2
55.01872	14.3
55.02099	3.4
55.05506	33.6
57.03437	12.2
60.83564	1.8
67.05495	43.8
69.03387	8.8
69.07065	13.9
70.65487	5.6
71.01331	2.8
71.04947	7.5
74.56490	1.8
79.05485	45.5
81.03410	63.7
81.07043	39.8
83.04569	2.0
83.04968	22.0
83.08601	23.9
85.02896	32.6
85.06471	3.0
91.05475	50.5
93.07036	32.1
95.01304	2.2
95.04390	3.6
95.04952	58.8
95.08595	16.7
97.02847	6.4
97.06497	6.7
97.10163	17.6
103.05424	8.0
105.07024	34.9
107.04956	19.2
107.08581	18.7
109.02881	15.9
109.06509	11.3
109.10128	9.7
111.04411	14.0
111.08053	12.1
113.05981	2.2
115.05417	10.7
116.06226	2.2
117.06338	2.0
117.06998	19.2
119.04881	7.3
119.08565	23.1
121.02795	8.3
121.06493	12.5
121.10155	14.4
123.04340	6.6
123.08048	4.5
123.11626	2.5
125.02279	3.0
125.09604	10.2
127.03858	2.8
128.06169	5.3
129.06990	23.2
131.04897	17.0
131.08537	17.7
131.84631	2.0
133.06491	14.4
133.10117	12.6
135.04359	3.7
135.07997	4.0
135.11688	10.0
137.02316	5.9
137.05922	4.8
141.06902	7.3
142.07744	3.3
143.08478	8.8
145.06487	20.8
145.10132	9.9
147.04378	15.6
147.07961	8.7
147.11667	11.5
149.05948	11.0
149.09613	10.2
153.06895	4.3
153.12698	2.5
155.08499	6.6
157.06464	10.1
157.10059	11.9
159.04280	3.3
159.08046	9.7
160.05106	7.9
161.04860	2.1
161.05969	26.4
161.09526	6.3
163.07513	3.1
163.11180	14.8
165.05452	2.6
165.12708	2.7
167.07214	2.0
167.08490	6.9
169.06479	3.0
169.10101	3.1
171.07959	8.9
171.11613	3.2
173.05962	29.9
173.09528	6.7
174.06638	5.9
175.03845	4.3
175.07510	4.6
175.11092	8.6
177.05449	3.3
181.06512	2.4
181.12158	4.8
183.07974	5.1
183.11595	2.2
185.05901	4.7
185.09514	5.1
186.06708	3.8
187.07542	13.0
187.11143	2.1
189.05452	30.7
189.09003	4.0
189.11124	5.8
190.06113	2.7
191.10580	5.7
193.12212	29.4
195.08076	2.0
197.05916	2.6
197.09521	3.5
199.07426	6.0
201.05444	3.7
201.09081	3.8
203.06963	3.0
203.10635	3.1
203.55890	2.2
209.13327	2.6
211.07393	3.0
211.13255	34.8
213.09091	2.2
227.12628	9.3
229.12444	2.1
237.12613	3.8
241.12195	2.6
245.15166	3.3
247.13152	2.7
255.13838	10.1
257.15240	5.8
259.13193	3.1
267.15930	9.2
271.13232	2.8
273.14801	28.4
283.13068	15.1
285.14075	13.1
285.16873	14.6
289.14124	8.2
301.14279	100.0
303.16006	5.1
315.15686	2.8
319.15390	18.7
341.17422	4.3
357.16794	5.8
359.18600	2.6
375.18015	22.5
385.23654	2.1
393.18927	9.3
447.24808	2.6
465.26050	2.4
493.25543	8.5
511.26489	5.7
529.27887	3.6
543.28894	2.5
549.75116	2.3
555.29041	4.0
557.30823	2.3
567.29376	12.7
573.30530	23.0
585.30554	79.2
603.21851	3.6
603.30975	72.3
621.42670	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	605.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.8
55.01862	18.6
55.05270	2.3
55.05509	31.6
57.03416	9.1
57.06788	2.9
57.07069	49.1
65.03914	5.0
67.05497	79.0
69.03407	3.0
69.07060	35.8
69.96461	12.2
70.43836	2.6
71.04973	3.9
71.08623	37.3
72.97924	2.3
77.53557	2.3
79.05481	51.5
80.44620	2.4
81.03411	2.7
81.07047	100.0
83.04959	6.9
83.08611	28.0
84.00009	2.2
85.06548	4.5
85.10178	19.7
86.12980	2.3
91.05477	38.7
93.07036	40.5
95.04960	10.2
95.08594	60.8
97.06513	21.9
97.10163	12.5
102.61134	2.8
105.07017	43.4
107.04937	21.5
107.08585	33.5
109.06494	11.7
109.10155	36.0
111.08081	5.5
117.06995	10.0
119.08566	32.1
121.10130	15.3
123.08035	6.8
123.11700	16.8
125.09589	8.1
129.06995	4.7
131.08568	19.7
133.10086	26.5
135.08049	8.6
135.11635	9.2
137.09604	6.6
137.95999	2.3
145.10117	25.0
147.11676	20.4
149.09586	29.2
149.13205	3.9
155.08528	2.6
157.10072	4.6
159.11682	12.1
161.13269	4.9
163.11151	10.4
165.12677	3.5
169.10126	5.2
171.11728	3.0
173.13190	7.3
183.11736	3.9
185.13139	4.4
189.11208	6.5
227.12660	11.4
229.19531	3.7
239.17995	5.9
239.23636	8.8
247.20509	6.0
257.18958	16.4
275.20050	98.1
293.20987	8.3
313.27344	71.5
331.22629	3.8
349.23694	37.8
402.51852	2.7
488.37476	2.5
518.11890	2.5
587.37994	3.7
587.46552	41.3
605.47913	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
56.96558	9.5
61.02919	1.1
69.03400	3.6
84.95995	2.6
85.02895	5.9
91.05463	2.5
92.95255	1.2
97.02886	2.6
98.20805	2.7
98.97569	53.9
110.08969	1.2
110.97560	4.0
116.98610	39.5
119.01910	4.4
119.04924	2.4
120.02016	1.5
121.06479	1.4
122.41533	1.2
123.04394	2.9
127.03890	4.0
128.98621	7.4
131.01866	2.5
134.99625	18.2
135.04373	3.5
137.05940	5.5
139.03876	3.7
140.00175	1.7
143.00121	2.6
143.01878	3.5
144.02014	1.6
145.03542	1.6
146.99614	6.2
147.03363	1.4
147.04414	5.3
149.01195	1.9
149.66190	1.1
155.01894	1.7
158.99640	27.4
161.01183	4.0
161.02904	7.2
162.03070	2.8
163.02675	2.1
163.03896	4.2
167.06960	3.0
170.99641	2.1
171.03311	3.6
173.02922	1.3
173.06667	1.6
174.03029	1.5
174.06747	1.7
175.02774	1.7
177.00690	36.9
177.05463	2.7
179.01184	1.3
179.07063	2.0
185.06612	2.1
189.00688	3.0
189.04346	10.8
195.01648	2.7
200.02219	3.0
201.00713	2.4
205.03690	1.2
207.05315	2.2
219.01765	11.2
221.05028	3.3
222.05362	1.7
233.07047	1.2
237.02769	21.1
244.04269	2.1
249.06276	2.4
255.03821	2.2
257.04346	1.8
269.03232	1.5
276.10004	2.6
291.07474	8.7
293.10809	3.3
294.11081	5.5
295.04742	1.9
307.06995	1.5
309.08533	33.7
313.05786	1.5
319.60367	1.7
332.10135	2.6
354.07028	100.0
355.07224	3.7
356.07394	1.6
365.07224	2.2
390.07843	1.6
415.09210	7.3
430.14481	1.4
433.10083	1.7
438.14877	1.6
566.57452	1.5
606.19843	7.2
607.19348	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	606.327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38226	0.9
55.05504	5.8
55.51062	1.0
59.04996	100.0
67.05502	5.1
69.03423	1.8
69.07063	2.9
70.03409	4.5
71.04991	9.4
73.06555	2.5
79.05504	5.1
81.03422	2.2
81.07056	11.5
83.04977	3.0
83.08606	3.0
85.06535	9.0
91.05462	6.8
93.07030	7.3
95.04942	2.6
95.08593	5.2
97.06565	1.4
97.10150	2.6
99.08080	1.6
101.06013	4.6
103.05467	1.5
105.07008	7.0
107.04928	1.4
107.08588	9.2
109.06496	1.3
109.10160	4.7
111.04454	1.4
111.08122	1.5
120.08871	1.1
121.06500	13.6
121.10127	1.3
123.08044	3.2
125.09618	9.3
127.11225	1.4
131.08569	1.5
133.06436	1.2
133.10097	1.5
135.08047	11.8
135.11707	5.4
137.05919	2.5
138.06697	1.2
143.10657	10.9
145.06445	1.6
146.07150	2.5
147.04453	1.8
147.08040	2.1
149.05972	17.3
149.09430	1.3
150.06702	2.7
151.07509	11.2
153.12749	10.6
159.08080	1.6
161.05911	2.6
162.06766	6.6
162.50188	1.1
163.07509	10.3
165.05508	3.5
165.09084	9.3
167.07089	2.4
171.07996	1.3
175.07588	2.3
177.05444	12.4
177.09094	4.7
178.06268	1.3
179.07024	6.6
179.10664	2.2
187.07518	1.5
189.09044	8.1
191.06970	1.8
191.10593	1.1
193.08607	24.6
194.09364	5.9
195.10162	20.2
201.09009	2.9
203.10608	2.3
215.10742	2.7
217.08617	1.4
217.12181	2.0
219.10136	4.4
229.08649	2.6
229.12253	4.1
233.08150	1.2
247.13324	2.7
257.11740	3.8
266.49121	1.1
271.13385	2.0
273.11346	1.2
273.14807	2.1
274.11826	1.7
287.16299	3.0
292.56293	1.1
303.47470	1.1
315.15820	3.0
318.14828	2.6
336.15771	2.7
405.71429	1.2
500.59201	1.2
531.77051	1.1
571.28912	3.2
631.71802	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31793	1.0
54.62135	1.1
55.05507	7.6
57.03447	1.4
57.07062	1.2
59.05000	100.0
66.63055	1.1
67.05502	3.6
69.07059	2.1
69.23995	14.0
71.04992	7.7
79.05501	3.9
81.07069	7.2
83.04983	3.4
83.08626	2.7
83.62832	1.1
85.06532	12.5
91.05487	6.9
93.07056	4.3
95.04952	2.4
95.08614	4.1
97.10176	2.5
99.08079	2.3
101.06027	7.4
105.07024	5.5
107.04955	1.9
107.08601	9.0
109.06519	2.4
109.10149	2.5
111.08113	1.3
113.78249	1.4
117.07008	1.9
119.08543	1.2
121.06504	13.5
123.08047	3.0
125.09634	7.5
129.06989	3.8
131.04916	1.2
131.08524	2.5
135.08049	7.5
135.11679	2.8
137.05972	3.6
137.09650	1.7
143.10689	7.2
145.06505	2.3
146.07236	3.4
147.04378	2.0
147.08051	1.3
149.05978	23.0
149.09595	1.9
150.06688	3.2
151.07549	15.8
153.12714	6.2
161.05981	4.9
161.09694	2.0
162.06754	5.0
163.07562	7.2
165.05486	3.8
165.09126	7.6
167.07068	2.7
173.09624	1.4
175.07570	4.9
176.04636	2.1
177.05457	14.6
177.09142	6.3
178.06212	1.4
178.09946	2.9
179.07028	6.3
179.10599	2.2
180.07776	2.4
188.77826	1.5
189.09099	17.2
190.09790	1.6
191.07021	1.7
191.10666	1.7
193.08627	12.7
194.09372	20.9
195.10165	8.5
201.09090	3.6
203.10703	3.7
205.08655	2.7
205.12228	1.5
215.10719	3.5
217.08623	1.2
217.12244	1.4
218.09401	4.4
219.10168	3.9
221.08063	1.8
227.10652	1.5
229.08617	2.8
229.12270	5.5
231.10298	1.3
233.11768	2.2
247.13268	6.5
255.13794	2.7
257.11752	4.7
261.11331	2.5
273.14944	2.9
283.13342	2.7
287.16418	3.3
315.16000	2.0
318.14615	6.6
527.90674	1.2
571.28546	3.1
577.97668	1.3
607.28485	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51217	1.2
55.05504	2.2
65.03940	1.3
67.05494	3.5
68.47180	1.1
69.07065	1.8
70.04765	3.0
70.05165	4.5
74.27747	1.3
76.38103	1.3
79.05471	6.4
80.05003	5.1
81.03419	2.9
81.05749	1.4
81.07048	21.4
82.06117	2.2
82.06577	28.7
83.08599	2.0
85.02889	2.4
91.05466	6.2
93.07021	4.7
94.06564	32.3
95.04952	5.2
95.08593	2.5
96.08135	1.9
97.02917	1.6
97.06496	1.5
97.10144	1.3
101.02409	1.4
105.07058	2.0
105.21205	1.3
107.04951	3.0
108.08115	15.1
109.06504	2.1
124.07594	15.2
136.07587	10.6
137.05952	4.7
142.07729	1.0
142.08623	48.1
154.08620	100.0
172.09692	9.4
193.78247	1.4
221.06516	1.4
310.15454	1.4
330.17123	1.5
396.31082	10.9
408.31088	14.5
426.32111	57.8
439.36087	1.5
473.19452	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.236
Annotation	Woorenoside II
Peak:m/z	Relative Intensity
52.49442	0.3
52.82737	0.3
53.96471	0.3
57.94239	0.3
66.18814	0.4
71.52541	0.7
76.47718	0.5
94.93315	0.4
111.04219	0.6
123.04457	0.7
127.63180	0.3
137.02419	0.4
137.05943	0.5
139.03828	0.4
151.03835	0.4
163.03929	0.4
176.04422	0.5
189.05215	18.9
190.06015	2.4
213.03989	0.3
228.26860	0.4
265.11810	1.3
297.96127	0.3
325.92017	0.4
343.01852	0.4
429.15262	2.4
444.17325	1.9
445.18317	12.4
607.23553	100.0
608.23743	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	607.2544
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
55.05464	0.5
55.70366	0.4
57.07034	0.7
67.05473	0.7
71.52707	0.6
73.98926	0.5
79.05450	1.0
81.07016	1.1
85.36112	0.4
91.05451	0.9
93.07003	0.9
95.08563	1.0
105.06987	0.9
107.08537	0.7
133.10048	0.5
139.20210	0.4
145.10039	0.6
147.11644	0.5
207.09082	0.4
235.12424	0.5
275.20090	0.5
298.13193	0.5
311.14304	0.4
374.15485	0.7
375.16068	1.2
387.16168	1.2
388.17017	1.5
389.17603	5.1
390.18365	1.5
391.19147	1.6
401.17734	1.4
402.14172	0.8
402.18542	1.3
403.19345	7.9
404.20078	2.9
405.20801	3.4
415.14902	0.6
415.19702	0.8
416.15521	2.0
417.16245	6.2
417.21143	2.7
418.17456	1.2
418.21802	1.5
419.22342	9.4
420.22986	1.1
425.34399	0.4
429.21463	0.5
430.17065	2.1
431.18210	9.8
431.23550	0.9
432.19052	4.3
433.19937	4.2
444.19733	0.7
445.20383	8.9
446.21036	8.2
447.21750	11.2
448.22195	0.9
459.17831	1.9
459.22061	2.0
460.19070	1.5
461.19016	2.1
462.24503	0.7
463.25101	1.3
473.19135	1.2
474.20398	12.0
475.21124	13.6
476.21432	1.0
477.22873	0.7
478.23761	0.8
487.21463	2.4
488.21869	1.1
490.23376	1.5
491.21045	1.7
501.22845	1.7
505.22287	1.0
518.22913	0.7
519.24072	12.0
520.24487	0.8
528.30261	0.6
532.20935	0.9
547.23370	77.8
548.23657	3.7
561.25165	1.9
579.25769	4.6
589.24530	1.3
607.25439	100.0
608.25806	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	607.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31037	0.2
57.07059	0.2
59.23877	0.2
67.05492	0.2
69.91080	0.2
75.19577	0.2
81.07025	0.2
91.05476	0.2
93.07087	0.2
95.04977	0.5
95.08609	0.2
98.20764	0.6
105.07030	0.2
145.10066	0.2
183.09210	0.2
195.09200	0.2
207.09196	0.3
209.10779	0.5
214.84875	0.2
221.10771	0.3
222.11592	0.2
223.12292	0.4
224.13052	0.3
229.59491	0.2
251.11710	0.2
298.13412	0.2
310.13614	0.2
314.12985	0.2
314.16534	0.4
322.13361	0.3
324.15027	0.3
336.14999	0.3
338.16730	0.2
359.12280	0.2
361.16006	0.2
362.16309	0.2
373.14600	0.4
374.15451	0.7
375.15997	1.3
376.17014	0.4
387.15955	0.7
388.16919	1.3
389.13065	0.3
389.17596	3.3
390.18375	1.4
391.19327	1.1
400.17877	0.2
401.17606	0.6
402.14453	0.6
402.18970	1.4
403.15668	0.7
403.19482	5.6
404.20050	2.5
405.15793	0.3
405.20789	4.5
406.21332	0.5
407.22128	0.2
413.17471	0.2
415.14996	0.5
415.19202	0.7
416.15607	1.3
416.20908	0.3
417.17047	4.6
417.21100	2.8
418.16687	1.3
418.21664	1.2
419.22464	7.0
419.27927	0.4
420.23392	1.1
429.17117	0.8
430.17892	0.9
430.22635	0.4
431.18259	9.4
432.18973	3.9
432.24689	0.3
433.20099	5.2
435.22006	0.4
443.18677	0.4
444.19568	0.6
445.20148	6.8
446.14542	0.3
446.20969	9.2
447.21750	10.0
448.23007	0.9
449.19891	0.4
457.20392	0.4
458.20822	0.2
459.17419	0.9
459.21942	1.9
460.18201	1.4
461.19702	2.3
462.24170	0.7
463.20367	0.4
463.25214	0.6
473.19379	0.9
473.24185	0.7
474.20313	6.5
475.20978	5.6
476.21722	0.3
477.22845	0.8
478.23749	0.6
487.21323	2.0
488.22302	0.4
490.24213	0.5
491.20035	3.4
501.22855	1.2
503.24377	0.4
504.21344	0.6
505.22205	1.1
506.23419	0.4
518.23132	0.2
519.24084	18.6
520.24384	1.1
529.22412	0.3
532.21448	0.3
533.23993	0.2
547.23370	14.6
548.23828	0.7
551.26300	0.4
561.24957	0.4
579.26025	6.2
589.24103	0.3
607.25452	100.0
608.25806	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	607.2546
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.05507	0.4
67.05485	0.8
69.07050	0.3
69.66784	1.6
79.05494	0.8
81.03408	0.8
81.07040	1.9
83.08591	0.4
85.55436	0.3
91.05466	0.5
93.07024	0.7
95.08597	0.4
105.07053	0.4
107.08595	0.6
117.06932	0.4
119.08528	0.3
133.10123	0.4
135.11739	0.3
139.03850	0.3
142.05164	0.3
149.13228	0.3
154.60703	0.3
196.52528	0.3
223.12357	0.3
245.01791	0.3
300.15082	0.4
359.78131	0.3
373.14499	0.4
374.15500	0.4
375.16003	0.6
377.18060	0.3
387.16348	0.5
388.16867	1.1
389.17532	3.0
390.18567	1.2
391.19223	0.9
400.17722	0.3
401.17856	0.8
402.14041	0.5
402.18515	1.2
403.19302	5.0
404.20270	1.9
405.16473	0.4
405.20828	3.3
406.21350	0.3
415.14566	0.4
415.19479	0.7
416.15540	1.4
417.16241	4.3
417.21182	1.8
418.17664	1.2
418.21609	1.1
419.22482	6.7
420.22858	1.1
429.16794	0.5
430.17822	1.0
431.18234	8.3
432.18848	2.6
433.20068	3.9
435.21692	0.3
441.17096	0.4
444.19162	0.4
445.20245	5.7
446.20959	8.7
447.21677	9.3
448.22452	1.2
457.20224	0.4
459.17307	0.7
459.21893	1.7
460.18262	0.7
460.23492	0.6
461.19131	1.6
462.24490	0.5
463.25522	0.6
473.19199	0.8
473.24280	0.5
474.20328	6.1
475.21124	5.3
476.21887	0.5
477.22833	0.8
478.23340	0.6
487.20959	1.8
488.22186	0.4
490.24002	0.4
491.20053	3.0
501.22800	1.1
501.29868	0.3
503.24854	0.3
504.21100	0.3
505.22711	1.0
506.22989	0.5
517.22705	0.3
519.24030	16.8
520.24243	1.1
529.22394	0.3
532.21613	0.3
533.24835	0.3
547.23303	12.7
548.23810	0.8
551.26483	0.6
561.25372	0.6
575.22980	0.4
579.25879	5.8
589.24139	0.4
607.25458	100.0
608.25848	6.2
638.90533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31992	0.5
69.32393	2.1
79.41305	0.2
94.33855	0.2
96.78874	0.3
109.29694	0.2
209.10773	0.3
211.12737	0.3
239.16028	0.2
259.28250	0.2
387.16296	0.4
388.17065	0.4
389.17715	1.1
390.18509	0.5
394.08301	0.2
401.17734	0.6
402.18469	1.3
403.19171	3.4
404.19864	1.1
405.20886	1.4
415.19336	0.6
416.15390	0.3
416.20563	1.2
417.16693	1.0
417.21350	3.4
418.21848	1.6
419.22308	3.6
429.21106	0.4
430.16949	1.4
430.22818	0.3
431.18127	8.1
432.19443	1.6
433.24155	5.8
434.24677	0.9
443.18594	0.3
444.18958	0.4
445.19809	8.8
446.20789	4.2
447.21576	3.5
449.23380	0.3
458.21060	0.3
459.21475	3.9
460.22452	8.5
461.23331	8.4
473.23892	2.0
474.24127	1.0
477.22665	0.7
487.24924	1.0
491.24323	0.8
491.47437	0.3
492.25281	0.7
505.21973	2.0
515.24329	0.4
518.23102	0.3
519.24243	1.5
520.24402	0.3
532.24493	0.6
533.25226	0.5
547.27051	17.5
548.26935	1.2
575.26910	0.6
579.29840	0.4
607.29089	100.0
608.29651	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2901
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
52.59978	0.5
57.07898	0.5
64.14217	0.4
69.52949	1.0
69.53355	2.9
77.66744	0.4
86.71963	0.4
96.89894	0.4
98.20773	1.1
141.93858	0.5
232.02893	0.5
255.41493	0.5
388.16412	0.5
398.64664	0.5
402.18298	0.7
403.19250	1.5
404.20316	0.9
405.20737	1.4
415.19662	0.7
417.21539	2.9
418.21796	1.2
419.22290	2.6
430.17346	0.7
431.18045	4.9
432.19308	1.3
433.19229	0.5
433.24091	5.5
434.24747	1.3
444.18979	0.7
445.19974	6.8
446.20694	2.8
447.21506	3.0
459.21539	2.8
460.22473	8.8
461.23184	8.4
462.24255	0.5
473.23557	2.3
474.24426	0.7
487.25073	1.7
488.25562	0.7
492.25012	0.9
505.22629	1.9
515.24384	0.6
519.24493	1.0
519.28387	1.1
520.25421	0.5
532.24530	0.7
547.26947	23.7
548.27570	1.3
553.61646	0.6
575.26660	0.7
607.29077	100.0
608.29449	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	607.2903
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
76.09119	0.4
135.49898	0.4
207.08978	0.6
314.16690	0.4
387.16092	1.0
388.16815	1.5
389.17560	1.4
390.18570	0.7
401.17819	1.7
402.18307	1.2
403.19147	5.0
404.20074	1.8
405.20819	1.8
415.19290	1.5
416.15454	0.7
416.20148	1.4
417.21274	5.3
418.21609	3.4
419.22302	5.1
420.23035	0.6
429.20959	0.8
430.17419	1.2
430.22092	1.0
431.18112	11.5
431.23495	0.8
432.19211	1.9
432.23627	1.3
433.24008	13.4
434.24652	1.5
444.18893	0.6
445.19766	12.8
446.20712	6.2
447.21597	4.5
458.20648	0.8
459.21283	5.1
460.22488	15.0
461.16898	0.9
461.23260	16.0
462.24078	0.8
473.23401	4.5
474.24094	1.1
477.23007	0.8
487.24948	2.0
488.25494	0.7
489.22806	0.6
492.25159	0.6
505.22522	1.8
506.26599	0.8
515.24689	0.8
518.23047	0.5
519.27032	2.0
532.24469	1.1
547.26965	51.8
548.27582	1.3
575.26312	1.2
579.29602	1.1
607.29065	100.0
608.29211	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71516	1.2
53.03947	9.1
54.76591	1.3
55.01868	5.6
55.05510	22.8
56.87730	1.3
57.03435	6.7
57.07077	2.3
58.21946	1.4
59.90191	1.4
65.03954	2.9
67.05504	68.7
69.03432	21.3
69.07068	22.4
71.01363	2.1
71.04992	9.7
71.52732	1.4
76.86821	1.3
79.05021	1.4
79.05099	0.9
79.05490	52.5
81.03417	73.6
81.07053	97.8
82.03809	1.3
83.04978	17.4
83.08622	16.4
85.02908	8.5
85.06530	6.3
91.05479	40.8
93.07041	61.2
95.04965	12.5
95.08603	25.8
95.09169	1.7
97.02901	11.5
97.06526	11.6
97.10194	2.9
99.04475	4.7
99.08118	3.3
102.06586	1.2
103.03899	1.1
105.04539	1.3
105.07029	23.6
105.07671	1.7
107.04970	7.5
107.08591	33.4
109.02875	15.0
109.06541	5.2
109.10193	5.3
111.04423	6.6
111.08115	6.9
115.05486	2.1
117.07021	15.5
118.82675	1.4
119.08568	11.1
121.06535	5.9
121.10145	18.5
123.04440	1.9
123.08109	2.6
123.11700	6.9
127.03927	11.9
129.05536	2.0
129.07018	6.3
131.04918	1.5
131.08568	17.7
133.06529	2.1
133.10124	13.1
135.08112	5.6
135.11699	10.4
137.06093	2.4
139.03966	1.5
139.11179	1.6
141.07050	2.1
143.08598	2.5
145.06534	3.1
145.10170	4.8
147.11688	11.5
149.13251	26.1
150.32008	1.3
155.08594	2.4
157.10173	3.7
159.11693	15.0
161.06027	2.3
161.13280	2.2
163.11290	1.7
165.12833	5.9
169.10153	1.4
171.08052	2.1
171.11774	1.7
173.04543	3.8
173.13264	2.5
175.11201	1.8
177.12766	12.1
183.11768	2.4
195.10248	2.9
195.13806	21.8
196.10498	1.4
197.13347	2.0
199.14828	1.5
213.14941	5.5
219.13976	1.9
229.14359	3.1
233.15358	1.9
237.14906	2.1
249.15056	1.8
257.15625	2.4
267.16092	5.6
269.17447	13.6
274.67130	1.4
275.16568	2.5
285.14661	2.4
297.17117	2.6
303.16095	4.5
321.17087	5.4
331.19244	1.6
339.18054	13.7
362.02664	1.6
371.25986	1.9
377.19943	1.7
395.20706	15.0
411.20456	1.6
445.29700	8.3
453.79117	1.5
463.30569	11.5
465.16415	1.5
487.30203	1.4
547.27332	1.8
553.31073	1.5
571.32806	1.9
589.33783	2.9
607.35046	100.0
608.35321	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	608.4002
Annotation	Roseocardin
Peak:m/z	Relative Intensity
50.62058	1.2
53.03931	1.5
55.01860	2.2
55.05501	5.2
56.05034	1.9
67.05506	15.6
67.36558	1.1
69.03432	5.7
69.07068	6.6
70.54797	4.0
71.04977	4.5
79.05487	17.6
80.05004	3.4
81.03407	7.1
81.05780	1.4
81.07051	22.3
82.06561	4.6
82.07338	1.4
83.04947	1.4
83.08613	4.1
85.02899	3.2
85.06528	2.3
87.04449	3.3
91.05478	9.2
93.07039	27.8
94.06573	18.5
95.04958	3.9
95.08601	28.1
96.08118	4.4
97.02892	2.2
97.06541	6.5
97.10138	2.0
103.05424	1.7
105.07034	12.7
109.02840	2.0
109.10136	4.5
110.09693	10.5
111.08089	15.8
111.11697	1.5
115.30104	1.1
119.08578	1.7
121.06425	1.2
121.10119	1.5
122.09660	38.5
123.04393	1.4
123.08064	33.9
123.11710	2.4
127.03898	1.2
128.10707	37.1
131.08615	1.8
133.06458	1.1
133.10095	2.1
135.11656	2.4
137.13261	1.5
140.10693	100.0
141.09093	20.3
141.10909	1.2
147.04395	2.7
147.11636	1.2
158.11769	7.9
167.06978	1.5
177.05569	1.2
211.13309	2.5
219.10265	1.2
225.22067	2.5
252.23265	1.3
270.24319	9.4
287.46899	1.2
288.25250	1.3
362.30768	2.1
374.30453	2.0
380.31607	8.2
392.31531	8.4
398.32144	1.2
408.64600	1.2
410.32639	69.5
411.32675	1.5
428.33722	45.9
428.39554	2.2
429.34232	1.8
540.10785	1.2
609.32251	4.1
619.69122	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3999
Annotation	Roseocardin
Peak:m/z	Relative Intensity
50.39082	0.9
53.03935	1.7
55.01861	1.7
55.05507	6.5
56.05025	3.1
57.03428	1.3
57.07061	1.9
60.04509	2.1
62.06066	1.4
65.03902	1.0
67.05502	15.5
69.03437	6.5
69.07066	6.0
69.50381	3.1
69.50813	4.9
70.06573	0.9
71.04974	3.7
74.09688	1.1
79.05484	16.7
80.04993	3.2
81.03407	5.2
81.05773	1.4
81.07052	18.8
82.03789	0.9
82.06558	3.9
83.04952	1.7
83.08614	3.9
85.02887	5.4
85.06527	3.3
85.17147	0.9
86.06062	1.3
87.04456	2.7
91.05481	8.4
93.06480	1.8
93.07034	24.9
94.06024	1.5
94.06567	17.6
95.04967	4.5
95.08603	31.9
96.08102	2.9
97.02900	1.8
97.06518	7.0
97.10162	3.1
98.97509	1.0
100.11229	3.2
103.05452	1.5
104.07098	3.5
105.04534	1.0
105.07032	14.7
107.04943	2.2
107.07327	3.8
107.08571	3.1
109.02919	2.1
109.10123	5.8
110.09670	9.8
111.08073	15.9
111.11705	1.7
112.99845	0.9
119.04932	3.9
119.08572	2.6
121.06538	1.4
121.10130	2.3
122.09661	36.5
123.04478	1.5
123.07201	1.8
123.08060	30.3
123.11696	2.7
127.03883	3.5
128.10707	34.3
131.04926	1.1
131.08577	1.1
132.43794	1.0
137.05934	1.4
137.13293	1.7
139.57611	0.9
140.10690	100.0
141.09094	14.8
142.05794	1.0
145.10188	1.0
147.04396	14.5
151.03929	1.1
156.13829	1.1
158.11746	7.1
161.13228	1.3
163.07503	1.2
167.07057	3.2
177.05450	4.2
181.05020	1.1
182.15395	2.2
191.06955	1.4
193.08560	1.1
207.06593	1.3
210.14735	1.6
225.22096	1.5
270.24277	9.5
296.25754	2.1
362.30484	1.8
374.30728	1.6
380.31537	10.1
392.31558	12.1
410.32642	75.5
411.32870	2.7
428.33682	44.1
429.34039	1.2
510.72827	1.0
550.42651	1.1
608.47266	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	609.23
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94239	0.4
55.05500	1.0
62.16596	0.4
67.05473	1.3
68.99702	0.4
69.03397	1.1
69.07047	1.7
70.48066	1.5
71.04976	1.1
73.02917	0.6
78.30261	0.4
79.05479	1.0
81.03398	1.2
81.07046	3.1
83.04955	0.6
84.85669	0.5
85.02894	2.0
85.06490	0.5
91.05457	1.3
93.07022	2.0
95.04941	1.1
95.08593	2.1
97.02892	1.3
97.06499	0.8
105.07004	1.2
107.04970	0.7
107.08575	1.3
109.02898	0.9
109.06545	0.9
109.10145	1.1
111.04425	0.7
119.04938	1.1
119.08574	2.1
121.02889	0.6
121.06496	0.5
121.10153	1.1
123.04373	1.0
123.11719	1.0
127.03918	1.0
131.04848	0.7
131.08592	0.6
133.10136	0.8
135.04395	1.7
135.08020	0.8
137.05952	1.9
140.83759	0.4
145.10045	0.5
145.72849	0.5
147.04388	2.9
147.11687	0.8
149.05974	0.7
149.09621	0.6
151.03896	1.1
151.07520	0.6
157.10173	0.5
159.11710	0.8
161.05954	0.9
163.03886	0.7
167.07043	2.7
173.13092	0.5
175.03786	0.7
177.05420	1.5
181.04919	1.3
181.08693	0.4
189.09160	0.5
191.07047	1.4
207.06570	0.7
217.15555	0.4
287.05527	0.7
301.07040	7.9
315.12158	0.5
363.12045	0.7
367.11703	1.3
379.11545	1.8
381.13116	0.8
381.22974	0.6
382.13821	2.2
383.14920	0.9
394.13980	2.1
395.14371	0.5
397.12482	4.2
412.14938	6.1
413.15720	0.7
569.20746	0.5
579.21753	1.1
609.22943	100.0
610.23218	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2699
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
52.18230	0.3
55.05500	0.6
57.03418	0.4
67.05491	1.3
69.07056	0.7
69.30177	0.4
69.30502	3.0
73.20817	0.3
79.05475	1.3
81.07042	1.1
83.08611	0.6
91.05466	1.0
93.07040	1.1
95.08612	0.8
97.06509	0.4
105.07003	0.8
109.10163	0.4
114.50297	0.3
119.08569	0.8
121.10138	0.7
131.08577	0.9
133.10081	0.5
145.10126	0.6
156.15613	0.3
159.11748	0.7
163.11218	0.3
209.10890	0.3
222.05328	0.3
223.12245	0.4
236.72125	0.3
237.13921	0.6
237.45389	0.3
239.15392	0.5
251.15558	0.7
275.20114	0.7
374.16385	0.5
376.16864	0.7
377.17712	0.9
378.19379	0.4
388.17697	0.4
389.18265	1.1
390.18393	1.8
391.19077	1.7
392.19705	1.5
393.20578	0.7
399.16296	0.3
400.17429	0.5
401.17627	0.7
403.19604	0.7
404.20547	1.0
405.16711	0.3
405.20901	3.2
406.21478	2.1
407.22244	2.3
413.17816	0.4
414.18512	0.5
415.19156	2.3
416.20148	0.5
417.16479	0.4
417.21323	0.5
418.17749	0.4
419.18213	1.0
419.22577	1.0
420.23410	0.6
421.23898	3.9
422.24545	0.7
427.19370	0.7
428.19742	0.4
429.20859	2.2
430.21796	1.1
431.18015	0.6
431.23062	0.7
432.19910	0.8
433.16083	1.0
433.20605	1.5
433.24756	0.5
435.21887	0.4
442.21475	0.7
443.22528	0.7
444.23087	1.3
445.20456	0.7
446.21262	0.5
447.18048	1.8
448.18936	1.0
449.23438	1.0
452.22131	0.8
457.23978	1.3
459.22330	2.0
460.23254	2.0
461.19003	5.0
462.20215	2.2
463.21283	1.4
470.21140	0.4
471.17801	0.8
472.22272	1.1
473.19907	0.6
473.23666	0.3
474.20609	1.4
475.21075	8.6
476.21661	6.4
477.22260	5.4
478.23407	0.6
479.24557	0.4
484.18903	0.5
485.23593	6.3
486.20029	2.3
487.19888	0.4
487.25247	0.9
488.22055	1.3
489.22913	4.8
490.19293	0.4
493.21411	1.7
494.26688	0.8
497.23050	0.6
499.21286	4.2
500.22037	1.9
501.22913	0.5
502.24164	0.5
503.24570	8.3
504.21884	1.2
504.24139	1.1
505.22174	0.7
507.23785	1.2
513.22705	1.4
514.23151	0.4
515.24420	6.2
517.22388	2.6
518.23663	0.4
521.26086	3.3
531.23865	10.4
532.24329	0.5
533.25616	0.4
535.23413	0.8
541.22736	0.6
549.24854	2.1
550.25702	4.9
551.25323	0.4
559.23407	5.6
563.26660	1.5
577.24622	2.0
581.28101	0.4
591.26007	14.6
609.26990	100.0
610.27191	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	609.2702
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
52.62294	0.7
54.28187	0.6
56.47078	0.7
67.05499	1.0
70.10583	1.6
70.10975	1.9
81.07040	1.2
86.61198	0.7
91.05435	1.1
93.07038	1.1
95.08636	0.9
107.08571	0.7
119.08574	1.2
196.75261	0.7
237.13765	0.9
361.16147	0.8
375.15933	0.8
376.17172	1.0
377.17322	1.3
388.17175	0.8
389.18433	1.5
390.18375	1.8
391.19067	4.0
392.19821	1.9
400.16736	1.5
401.17493	1.4
403.19522	2.0
404.20462	2.2
405.20871	4.9
406.21622	3.3
407.22281	5.3
413.17538	0.9
414.18561	1.5
415.19119	3.5
416.20370	1.1
417.21265	0.9
418.21991	1.3
419.18048	1.4
419.22610	2.2
420.23059	1.1
421.23795	7.6
422.24557	1.6
427.18951	1.2
428.19980	1.4
429.20779	5.2
430.21899	3.0
431.18112	1.1
431.22803	0.9
432.19138	0.8
433.24631	1.6
434.24960	0.9
435.21213	0.8
441.20651	0.9
442.21631	0.9
443.22760	1.9
444.22980	2.8
446.20779	2.0
447.17480	4.5
448.18582	1.3
449.23279	2.2
451.21426	0.8
452.21838	0.8
457.24207	4.8
459.21802	5.0
460.22479	2.9
461.18964	9.3
462.19983	3.4
463.21283	2.4
470.21442	1.3
472.22604	2.7
473.19559	1.1
474.20184	1.7
475.20813	13.9
476.21719	14.3
477.22519	9.9
478.23453	1.0
479.23923	1.7
485.23401	15.1
486.20096	5.2
487.20432	1.2
488.22000	2.8
489.22879	9.0
493.22382	2.6
494.26596	1.3
499.21420	4.5
500.22009	2.8
503.24573	10.1
504.25168	7.6
505.21994	0.9
513.23053	2.3
515.24524	13.7
517.22522	2.2
521.25897	7.1
522.25836	1.4
531.23914	23.0
532.24103	1.0
535.23260	2.0
541.22241	2.2
548.24237	1.3
549.24622	4.2
550.25598	9.2
559.23285	10.0
563.27344	1.1
577.24707	2.0
591.25940	34.4
592.26044	1.6
609.26990	100.0
610.27185	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	609.2701
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05505	1.4
66.34148	0.4
67.05492	3.1
69.07062	1.6
69.40386	4.2
79.05476	2.5
81.07057	3.8
91.05479	2.1
93.07062	2.7
95.08592	2.0
105.07019	2.0
107.04895	0.8
107.08555	1.1
109.10133	0.6
117.07025	0.5
119.08566	1.7
121.10144	1.2
129.06946	0.7
131.08517	0.9
133.10114	1.2
135.11732	0.6
143.08530	1.0
145.10138	1.6
147.11719	0.9
157.10060	0.7
159.11714	1.3
161.13315	0.5
163.11032	0.5
171.11678	0.9
180.94118	0.4
257.19107	0.8
275.20151	2.0
292.18716	0.5
293.21222	0.6
391.19409	0.7
392.19812	0.5
405.20892	1.0
415.19318	0.7
416.20230	0.5
419.18143	1.1
419.22928	0.8
429.20688	2.3
430.21832	0.8
431.18408	0.9
433.24042	2.1
435.22070	0.6
443.22574	1.1
444.23190	1.9
445.24243	1.3
447.22589	2.4
449.23578	1.4
457.19589	0.7
458.24738	0.9
459.21390	4.2
460.22757	1.8
461.19193	1.8
461.23792	2.6
462.20694	1.4
472.22610	2.0
473.23349	1.7
474.24286	0.6
475.20865	1.4
476.22238	2.3
477.22650	3.1
485.23120	1.1
487.24893	3.7
489.22879	2.7
490.23477	1.0
492.25275	0.7
503.25034	2.3
518.23120	0.7
519.23401	2.6
520.20715	0.5
521.21399	2.9
531.23901	21.9
532.24402	1.9
549.24908	12.6
550.25122	0.5
563.25055	0.7
591.25690	2.8
609.27008	100.0
609.44739	4.8
610.27362	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	609.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.4
52.41046	1.1
53.03946	10.6
53.04689	1.3
55.01874	6.3
55.05272	1.8
55.05510	25.8
57.03438	12.8
57.07060	1.8
65.03933	3.5
67.05502	58.3
69.03077	2.1
69.03426	22.9
69.07067	14.7
70.70457	2.3
70.70850	2.4
71.01328	2.7
71.04978	10.8
71.68880	1.3
73.20560	1.5
79.05022	1.5
79.05491	49.7
81.03414	100.0
81.07052	42.3
83.04980	24.7
83.08620	18.2
85.02424	2.1
85.02901	20.9
85.06532	4.5
91.05470	39.2
93.07038	54.8
95.04967	26.7
95.08599	18.2
97.02887	21.0
97.06525	11.8
97.10166	12.9
99.04433	6.8
99.08052	3.0
105.04501	1.7
105.07021	22.6
107.04943	10.2
107.08589	35.5
109.02880	19.9
109.06503	7.3
109.10152	11.9
111.04428	16.6
111.08062	8.9
113.06007	1.3
113.86324	1.5
115.05464	1.6
117.07023	9.9
119.04927	2.2
119.08572	21.6
121.06487	4.6
121.10138	14.2
123.04438	2.4
123.08059	4.0
123.11726	3.7
125.09620	5.1
127.03913	10.5
128.06230	2.6
129.05467	2.2
129.07008	7.3
131.04938	2.4
131.08563	10.6
133.06505	4.1
133.10141	11.4
135.08058	4.5
135.11685	40.4
135.12732	2.4
137.05980	3.4
137.09602	4.2
141.06989	1.8
142.07748	2.0
143.08585	2.8
145.06540	3.9
145.10098	11.9
147.04436	1.9
147.08038	2.7
147.11687	14.7
149.05980	2.9
149.09625	6.0
151.03943	1.3
151.11153	3.2
153.05487	1.6
153.12752	4.6
155.08627	1.7
157.10118	9.7
159.08052	2.3
159.11739	2.5
161.05957	2.1
163.03922	1.8
163.07509	1.6
163.11147	10.6
165.05475	1.8
165.12755	3.4
167.07045	5.1
171.08047	1.5
171.11702	2.2
173.04388	2.4
173.09563	1.4
175.07523	1.7
175.11188	9.3
177.05458	2.7
177.08948	1.4
180.73570	1.3
181.04988	1.5
181.12228	13.6
183.11610	1.3
187.11205	3.0
189.11296	2.4
191.07094	2.9
191.10675	5.7
193.12238	40.3
199.13289	2.2
203.10710	1.5
209.08006	1.4
209.11641	1.3
209.49043	1.3
211.13286	54.0
227.12761	5.7
229.14293	3.4
235.13274	1.9
237.14961	2.1
249.14803	2.8
253.14374	1.8
255.13583	2.4
255.15927	14.3
261.14941	1.6
263.66870	1.2
267.15854	9.4
283.15411	3.3
285.16998	4.3
301.14230	2.6
307.15344	3.2
325.16562	6.4
337.16541	4.5
355.17462	12.8
355.22211	2.2
363.18320	2.2
373.23682	1.7
381.18982	4.2
411.20300	6.0
421.25818	2.6
447.27316	15.0
465.28506	19.4
481.27744	2.1
555.29266	1.5
573.31360	3.2
577.20801	3.4
591.31598	7.4
609.32623	94.6
610.32520	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.3
55.05500	31.8
57.07064	6.3
65.03923	8.2
65.33947	5.5
67.05500	33.4
69.03410	17.1
69.07059	36.7
69.82751	35.8
71.04957	9.6
79.05487	29.0
81.03387	41.2
81.07047	100.0
83.08584	16.5
85.02885	14.7
85.06567	7.4
85.20277	5.3
91.05452	35.0
93.07033	63.4
95.04942	17.9
95.08591	66.9
97.02874	16.0
97.06507	17.5
97.10146	17.9
99.04438	8.4
105.07020	41.8
107.04971	13.1
107.08575	67.2
109.02844	18.5
109.06489	10.0
109.10145	35.2
111.04409	12.7
117.07025	10.9
119.04893	13.8
119.08561	41.4
121.06488	7.1
121.10108	39.9
123.04374	8.7
123.11679	33.7
125.09584	9.6
127.03870	18.0
131.08542	20.1
133.10138	31.4
135.08084	10.4
135.11682	28.4
137.05936	20.5
137.09581	6.0
139.11176	11.1
143.08611	10.2
145.02873	7.3
145.10091	20.6
147.04384	50.2
147.11696	31.0
149.13223	45.8
149.60320	6.9
157.10066	11.4
159.11690	16.3
161.06021	9.1
161.13229	9.3
162.06674	7.0
163.07426	6.0
163.14798	9.2
165.05455	16.2
167.07047	25.8
171.11678	6.9
173.13205	6.8
175.03870	7.7
175.14845	9.9
177.05426	15.4
177.16376	6.8
181.04922	16.7
181.08572	6.7
189.12726	5.8
191.07025	14.5
191.10718	8.3
201.16455	7.9
207.06451	15.3
213.12587	6.3
287.23569	8.0
293.24716	6.4
305.24728	29.5
323.25897	8.4
413.26791	11.3
431.27853	17.2
437.29016	8.0
449.28964	32.1
467.29865	13.5
518.02808	6.3
577.20648	11.0
609.23438	7.0
609.35229	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	609.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34354	0.4
53.03932	1.1
55.01865	1.4
55.05505	13.7
57.03434	3.8
57.07073	2.6
59.04988	0.5
65.03929	1.5
67.05498	24.6
69.03434	0.5
69.07062	13.5
70.77786	1.1
71.04987	1.6
71.08586	0.5
77.03936	0.4
79.05486	17.1
80.43192	0.3
81.07047	24.3
83.04987	1.8
83.08607	6.1
84.04475	0.3
85.06057	0.3
85.06540	1.7
91.05468	14.4
93.07033	17.1
95.04953	2.3
95.08596	20.7
97.06535	2.4
97.10163	3.8
99.08092	0.7
103.05418	0.5
104.30091	0.3
105.07019	15.6
107.04942	0.5
107.08577	11.9
109.06515	1.2
109.10149	8.5
109.10713	0.2
111.08080	1.3
111.11742	0.5
113.09618	0.6
115.05441	1.0
117.07009	9.7
119.08569	14.2
121.10128	8.7
123.08047	1.1
123.11690	2.8
125.09629	1.2
128.06215	3.0
129.05573	0.4
129.06990	10.9
130.07768	1.1
131.08554	14.9
133.06596	0.5
133.10107	10.9
135.08008	0.5
135.11678	4.7
137.09647	0.5
137.13246	0.5
139.11153	0.6
141.06963	6.0
142.07767	3.2
143.08540	15.6
144.09415	0.9
145.10110	14.0
147.11670	5.3
149.09598	0.5
149.13254	2.6
151.11140	0.4
153.06952	2.1
154.07758	1.2
155.02083	0.3
155.08540	12.5
156.09360	2.2
157.10114	15.4
159.11684	10.3
161.13222	4.3
163.11171	0.8
163.14842	1.2
165.07016	1.1
166.07828	0.9
167.08562	6.5
168.09312	2.3
169.10104	16.5
170.10887	0.9
171.11667	13.7
173.13264	5.5
175.11098	0.4
175.14793	1.9
177.16469	0.6
179.08487	2.5
180.09315	1.4
181.10106	8.2
182.10858	1.7
183.11671	15.6
184.12181	0.9
185.13229	10.8
185.14859	0.6
187.14789	3.5
189.16306	1.9
191.08517	0.5
193.10081	3.2
194.10919	0.8
195.11671	9.2
196.12369	1.1
197.13223	12.1
197.15047	0.7
198.13806	0.5
199.13089	0.4
199.14812	6.6
201.16388	1.9
203.17766	0.6
205.10194	1.2
207.11708	3.7
208.12355	0.8
209.13240	8.6
209.15103	0.7
210.14018	1.0
211.14789	7.8
213.12860	0.4
213.14632	0.5
213.16399	4.3
215.17969	0.7
219.11726	1.0
220.12436	0.5
221.13220	2.7
222.13974	1.0
223.14771	5.9
223.16745	0.5
225.16373	4.5
227.16068	0.4
227.18054	2.8
229.19528	0.7
233.13252	1.2
234.14046	0.5
235.14832	1.8
236.15665	0.4
237.16371	4.8
237.18608	0.5
238.17023	0.6
239.17906	3.5
240.18468	0.5
241.19511	1.5
245.13167	0.5
247.14873	0.9
249.16510	1.8
251.17856	2.7
253.19496	1.3
255.21147	1.0
257.19037	1.0
259.20670	0.4
261.16367	0.7
263.18008	0.8
265.19501	1.9
267.21210	0.9
269.18954	0.4
275.20129	1.3
277.19513	0.8
279.21231	1.0
281.22739	0.5
283.20407	0.5
285.22107	0.7
289.21844	0.4
293.22549	0.9
295.20358	0.6
297.22092	0.9
305.22693	0.6
307.20578	0.7
309.22122	1.1
311.20139	0.9
311.23853	1.1
313.21567	0.6
321.22165	1.5
323.20300	0.5
323.23669	1.9
325.21686	0.6
325.25327	0.7
327.23105	0.6
335.23859	1.2
337.21564	0.7
337.25327	1.5
339.23227	0.9
339.26862	0.7
341.25031	0.5
347.23688	0.8
349.25296	1.7
351.23160	0.5
351.26816	2.5
353.24673	0.8
355.26334	0.8
359.26208	0.5
363.26764	1.0
365.28403	1.7
367.26520	0.8
369.28079	0.6
375.26700	0.4
377.28613	0.6
379.29941	1.1
381.27933	1.1
382.43420	0.4
391.29990	1.4
393.27365	0.6
393.31897	0.8
395.29498	0.8
405.31531	0.7
407.29355	1.4
409.30658	0.6
415.29599	0.4
421.30713	1.0
425.30402	0.5
433.30231	0.7
435.32736	0.6
441.30469	0.5
443.32214	0.5
447.32391	2.1
449.33926	1.0
459.31671	0.5
461.34439	1.0
475.35336	0.7
487.34921	0.7
499.39713	2.4
501.35977	1.0
507.34882	0.6
515.38184	0.8
517.40344	14.0
518.40167	0.8
521.36658	0.7
525.36169	0.9
535.41492	7.3
539.37384	1.7
541.39001	0.8
553.42413	0.5
555.41595	1.0
565.42682	0.6
567.40625	0.6
573.43079	2.1
591.44061	14.5
592.44214	0.8
609.25580	2.5
609.45062	100.0
610.45587	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	609.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.0
55.01871	8.4
55.05506	16.8
57.03439	3.2
57.07069	3.4
65.03946	3.1
67.05500	46.2
69.07064	31.2
69.31609	6.0
69.32040	10.0
71.04998	3.4
79.05489	45.2
80.57859	1.6
81.03421	4.7
81.07050	63.7
83.04973	6.1
83.08608	9.8
91.04898	2.7
91.05473	49.2
91.06023	3.4
93.07036	50.5
95.01324	7.2
95.04943	11.4
95.08599	40.2
97.06519	16.7
97.10171	3.4
105.04571	2.3
105.07018	63.8
107.04944	14.3
107.08579	22.9
109.06519	7.4
109.10130	11.5
111.08068	3.1
117.06998	12.8
119.08566	38.4
121.06533	2.0
121.10134	14.1
123.04448	2.1
123.08049	4.7
123.11687	3.0
129.06967	2.7
131.08549	27.3
131.84850	1.8
133.10129	43.0
135.08044	3.2
135.11705	10.0
136.03235	1.7
137.09641	3.2
142.07823	1.7
143.08556	5.0
145.10110	20.3
147.11670	19.7
149.09625	5.5
149.13249	6.1
157.10136	4.6
159.11668	12.7
161.13254	6.5
163.11243	4.0
165.12819	1.8
171.11688	3.4
173.13281	3.1
175.14828	2.5
177.12688	4.8
179.14313	17.5
183.11691	2.9
187.11223	3.5
195.13766	1.6
197.13327	2.6
200.59962	1.5
205.12268	2.0
219.17413	18.1
229.19626	2.8
239.17915	3.0
241.14415	2.0
247.20680	3.9
257.19067	6.9
261.22073	2.6
275.20050	100.0
276.20432	3.8
293.21167	5.9
349.23996	5.3
432.21558	1.9
609.29016	2.9
609.45087	65.9
610.45520	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	609.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01868	2.2
55.05506	12.8
57.03428	2.8
57.07066	1.9
61.12185	0.5
65.03936	1.0
67.05125	1.1
67.05496	22.5
69.07060	11.4
71.04989	1.0
71.08620	0.8
71.52565	0.8
79.05486	15.6
81.07050	23.6
83.04966	0.8
83.08610	6.7
85.06552	1.6
91.05467	13.6
91.06016	0.8
93.07036	15.2
93.07635	0.8
95.04971	2.1
95.08598	19.4
97.06525	2.0
97.10149	3.6
99.08066	0.7
103.05458	0.7
105.07019	13.3
107.08580	10.7
107.09288	0.6
109.06553	0.9
109.10146	8.2
111.08070	0.6
115.05453	0.9
117.07005	9.2
119.08566	12.2
120.08907	0.5
121.06550	0.5
121.10135	6.5
123.08041	0.5
123.11691	3.2
125.09619	1.2
127.05396	0.5
128.06155	3.3
129.06993	11.8
130.07748	0.9
131.08562	12.6
133.10118	9.9
135.08076	0.5
135.11687	4.4
137.13301	1.1
139.11189	0.5
141.06967	5.1
142.07759	3.4
143.08548	14.1
144.09323	0.8
145.10109	13.4
147.11653	6.3
149.13261	2.6
151.11191	0.8
153.07053	1.0
154.07753	1.7
155.08543	11.5
155.09708	0.8
156.09338	1.5
157.10120	14.9
159.11676	9.0
161.13263	3.9
163.14787	1.4
165.07047	1.2
165.09044	0.5
166.07739	0.8
167.08543	5.2
168.09300	1.6
169.10115	14.7
170.10892	1.2
171.11684	13.8
173.13263	5.6
175.14832	2.2
179.08537	2.2
180.09282	1.0
181.10112	8.2
181.11633	0.8
182.10915	1.6
183.11670	15.3
185.11647	0.8
185.13237	8.9
187.14833	4.4
189.16408	1.8
193.10083	2.9
194.10918	1.0
195.11668	9.9
196.12358	0.8
197.13226	13.4
198.13795	0.8
199.13214	0.8
199.14807	7.8
201.16405	2.3
203.17877	0.7
205.10124	1.0
207.11658	3.5
209.13239	9.3
210.13911	0.7
211.14810	8.4
213.12944	0.9
213.16388	4.6
215.17970	1.0
219.11635	1.3
221.13202	3.3
222.14029	0.6
223.14766	6.9
223.16699	0.6
224.82761	0.5
225.16374	5.9
226.16789	0.7
227.18050	3.8
229.04837	0.6
233.13263	1.3
233.18893	0.5
235.14803	2.4
235.16959	0.6
237.16405	4.7
237.18715	0.6
239.17967	4.6
241.17555	0.5
241.19597	1.5
243.17653	0.4
243.20949	0.7
247.14888	1.0
249.16350	2.1
251.17911	2.4
253.19502	1.3
255.21265	0.6
257.18954	0.7
263.17957	1.3
265.19492	1.9
267.21091	1.3
277.19449	0.9
279.21194	1.2
281.22733	0.7
283.20477	0.6
291.20987	0.7
293.19025	0.9
293.22513	0.6
297.22076	0.6
299.23618	0.9
305.22467	0.6
307.20615	0.7
307.24094	0.6
309.22202	1.9
311.23785	0.6
321.22073	1.1
323.23840	1.4
325.25235	0.9
327.23236	0.7
333.22104	0.6
335.23666	1.1
337.25272	1.8
339.23206	0.9
339.26938	0.8
341.24603	0.7
349.25128	1.3
351.26846	2.3
353.24600	0.6
353.28381	0.6
363.26926	1.6
365.28406	1.7
369.27954	0.5
375.26700	0.6
377.28488	0.8
379.26144	0.9
379.30304	1.0
391.30011	1.1
393.27200	0.8
393.31747	1.1
395.29596	0.8
405.31586	0.9
407.28870	0.7
409.30682	0.9
417.31598	0.7
421.30878	1.0
429.31424	0.6
431.33090	0.6
433.30542	0.9
435.32327	1.3
447.32056	1.2
449.34323	0.7
459.32162	0.5
461.34058	1.0
473.33011	0.7
479.35541	0.7
499.39603	2.8
501.35672	0.9
517.40375	15.6
518.40778	1.6
521.36420	1.0
523.37701	0.8
525.35834	1.0
535.41541	7.7
536.41827	0.7
539.37427	1.5
549.40186	0.8
553.41901	1.4
555.41846	0.8
573.42908	2.6
591.44067	16.6
592.44318	1.6
609.45056	100.0
610.45374	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	610.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01856	0.9
55.05502	7.9
57.03437	0.9
57.07066	2.3
61.87090	0.8
65.03916	1.3
67.05172	1.2
67.05501	14.4
69.03422	3.7
69.07071	9.8
70.77961	1.6
70.78331	1.9
71.04968	1.5
72.04617	0.8
79.05486	14.7
81.03422	6.6
81.06586	1.9
81.07051	30.0
83.04969	1.8
83.08601	1.5
85.02908	2.6
91.05471	25.1
93.01615	0.8
93.07035	100.0
94.07372	2.2
95.04980	4.4
95.08598	18.4
97.02880	3.4
97.06525	2.0
101.44397	0.8
105.04514	1.1
105.07021	14.1
107.04949	1.5
107.08583	55.0
109.02857	1.3
109.06531	2.8
109.10151	6.9
111.91681	0.9
115.05414	1.1
117.07027	3.7
119.08577	8.6
121.10109	5.3
123.11724	1.7
127.03862	1.0
129.06979	2.0
131.08528	4.1
133.10117	4.9
135.11679	80.7
136.12047	1.2
137.13245	7.1
143.08575	1.8
145.10103	4.2
147.11699	3.4
149.13272	1.7
153.12776	1.4
155.08543	1.3
157.10138	1.1
159.11697	3.0
161.13193	1.6
169.10173	1.1
171.11696	2.1
173.13261	2.8
175.14824	1.0
175.69875	0.8
183.11635	0.8
187.14880	1.2
199.67590	0.9
201.16365	1.1
208.65259	0.9
247.61290	0.8
257.18848	0.9
259.20584	1.0
261.22177	1.8
275.20190	1.4
299.24365	0.8
303.23120	1.1
319.22855	1.0
335.19098	0.9
335.25610	1.0
336.48907	1.0
369.24008	1.2
387.25336	1.2
405.26520	1.4
592.17554	1.1
610.28278	1.1
610.45013	4.2
611.46326	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	611.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.9
68.99786	9.7
69.03426	1.5
70.49359	2.5
70.49752	2.5
71.97931	1.2
77.03902	1.3
78.72883	1.3
81.03419	2.0
85.02898	2.3
86.79137	1.5
91.05466	5.4
93.03400	2.0
95.04953	3.3
105.03371	2.5
107.04913	3.5
109.02838	2.1
111.00811	6.1
111.04419	7.2
113.16263	1.3
117.03393	1.5
119.04919	8.3
121.02875	4.2
123.04412	100.0
125.02348	1.3
127.03904	44.9
134.03642	2.0
135.04396	28.8
137.02335	7.2
137.05946	3.4
139.03885	48.0
142.02603	1.7
143.03352	3.8
147.04402	27.0
149.02322	6.1
150.03073	3.3
151.03893	11.4
152.04681	2.1
153.01877	2.9
155.03369	6.1
155.04855	2.5
161.06009	4.1
162.03134	2.6
163.03876	30.1
165.01839	1.8
165.05466	10.0
167.03387	5.9
167.05357	1.5
169.06458	3.0
173.05974	5.1
175.03912	3.5
176.04681	2.2
177.01804	4.1
177.05435	4.3
179.03339	10.8
181.04881	2.8
183.04434	2.9
185.05956	2.9
187.03868	6.8
189.01828	2.7
189.05452	3.0
191.03368	11.8
193.04988	4.3
195.02867	2.1
197.05956	3.1
199.03879	1.4
201.05447	7.9
203.03363	12.4
205.04930	4.2
207.02852	2.1
213.05470	5.5
214.05988	2.1
215.03343	4.7
217.04987	3.8
219.02783	2.5
219.06479	1.4
223.02341	11.9
225.05392	2.3
228.04170	1.5
229.04955	12.5
231.02893	8.5
231.06528	3.9
233.04433	6.2
237.05196	1.6
241.04918	3.1
243.02959	2.1
243.06609	4.2
245.04460	17.2
247.05971	23.8
253.04996	2.9
257.04385	19.1
258.05215	6.8
259.02621	1.6
259.06009	7.3
260.06772	2.4
261.03918	7.3
263.05560	2.4
269.04337	4.5
270.05167	3.8
271.05997	28.0
273.03891	10.7
273.07452	2.5
275.05496	8.8
277.03568	2.4
281.04565	2.2
283.05939	7.4
285.03845	6.8
286.04761	3.4
287.05466	30.8
288.06290	8.4
289.03488	5.1
289.07068	11.6
290.04187	4.4
291.05295	2.0
291.08606	4.5
295.05957	1.8
297.07541	1.7
299.05478	9.6
301.03375	3.6
301.06873	3.3
302.04117	1.8
303.04819	9.9
304.05710	1.8
311.05554	2.2
315.05042	2.6
317.06494	2.6
319.04453	1.6
377.06332	2.7
379.08038	1.4
391.07968	4.1
395.07358	2.6
407.07504	5.6
408.08301	6.7
409.09213	10.2
419.07492	3.7
423.06802	5.0
424.07495	2.7
425.08569	3.4
427.10077	4.0
441.08008	4.9
542.11914	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.6
57.69400	1.4
58.29285	1.1
60.04852	1.1
65.03937	2.3
67.01854	1.3
67.05492	1.6
68.99786	7.4
70.17519	2.5
70.17893	4.0
77.03918	2.4
79.05483	1.4
81.03419	1.5
85.02883	5.0
89.03888	1.3
91.05470	4.3
92.00891	1.2
93.03375	1.8
95.04966	3.5
97.02898	1.7
105.03384	2.3
105.06998	1.4
105.32744	1.2
107.04936	5.4
109.02872	1.4
111.00780	4.0
111.04435	6.8
119.04951	7.7
121.02826	3.3
123.04419	100.0
125.02337	1.3
127.03913	23.3
131.04945	2.3
133.91260	1.2
134.03668	1.9
135.04410	21.5
137.02341	5.9
137.05942	2.1
139.03886	32.8
141.01953	1.2
145.06511	2.5
147.04396	28.0
149.02303	4.2
149.06007	2.8
150.03133	1.5
151.03882	11.6
153.01868	2.8
155.03334	3.9
155.04745	2.8
159.04424	2.4
161.05959	3.6
162.03067	1.8
163.03906	25.1
165.01830	2.8
165.05453	11.0
167.03387	5.0
173.06006	3.4
175.03893	5.5
177.01791	2.8
177.05461	2.4
179.03372	9.6
181.04906	3.0
183.04366	1.8
185.06000	1.9
187.03918	4.5
189.05397	3.3
191.03360	10.7
191.07031	1.9
193.04922	5.6
195.02950	2.1
197.05869	2.1
199.03922	1.6
201.05478	7.5
203.03348	16.6
205.04935	2.7
207.03012	1.3
213.05510	3.1
215.03447	4.1
217.04846	2.6
219.06483	1.3
223.02359	13.6
225.05537	1.9
227.03423	2.1
229.04965	12.1
231.02872	10.1
231.06528	3.0
232.03607	1.7
233.04414	5.2
241.04973	3.5
243.02818	2.6
243.06540	3.6
245.04401	12.9
247.06006	24.2
253.05055	2.3
255.06476	1.4
257.04428	21.0
258.05185	3.3
259.02332	2.2
259.06015	4.4
261.03937	8.4
263.05380	1.7
269.04376	3.0
270.05066	1.4
271.05966	13.5
272.06445	1.2
273.03891	9.9
274.04672	1.4
275.05536	6.9
277.03290	2.4
278.04190	1.3
279.04846	1.4
281.04425	1.9
282.05057	1.3
283.05975	4.8
285.03787	7.6
286.04675	3.2
287.05447	32.0
288.06076	3.4
289.03394	7.6
289.07043	9.5
290.04285	2.8
291.05133	2.6
291.08542	2.9
299.05444	5.1
301.03391	3.5
301.06860	2.8
303.04861	8.2
304.05780	2.2
311.05466	2.0
315.05063	3.2
317.06302	1.9
377.06546	1.3
391.08130	3.9
407.07578	3.7
408.08408	8.4
409.09039	8.1
412.08023	2.0
419.07416	2.3
420.08621	1.4
423.07062	4.2
424.07855	1.7
425.08499	4.2
427.10190	5.4
441.07886	2.8
459.09943	1.3
471.74979	1.3
578.99884	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1597
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03955	0.3
57.03436	1.9
61.02922	0.4
69.03416	1.6
69.39363	0.6
69.39774	2.2
71.04988	12.1
73.02917	0.7
75.04462	0.4
81.03409	0.5
85.02901	16.2
93.03379	0.4
97.02875	1.3
98.20792	0.7
109.02853	1.0
111.00793	1.0
121.02815	0.4
121.68176	0.3
127.03898	1.1
129.05492	3.6
137.02284	2.6
145.04965	1.1
147.06540	0.9
149.02325	0.4
153.01848	3.1
163.03873	0.5
165.01831	1.1
173.69989	0.3
183.02917	0.8
198.29079	0.4
201.05446	1.2
201.81259	0.3
229.04982	3.8
247.05968	0.5
257.04395	2.4
274.04797	0.6
285.04037	0.9
303.04977	100.0
304.05283	1.4
465.10242	0.4
617.68127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01855	0.5
56.19495	0.2
57.03199	0.2
57.03426	2.4
59.42449	0.2
61.02899	0.7
62.55227	0.2
66.67538	0.2
67.05442	0.2
68.99777	0.6
69.03420	1.1
69.64415	0.6
69.64841	0.8
71.01331	0.2
71.04985	12.5
73.02890	0.4
75.04451	0.7
81.03387	0.7
83.04962	0.6
85.02897	16.3
87.04440	0.6
93.03379	0.3
95.04930	0.4
97.02878	1.5
98.21512	0.2
99.04450	0.2
109.02876	0.6
111.00790	0.7
111.04399	0.6
121.02867	1.0
123.04427	0.2
127.03914	1.1
129.05476	3.9
135.04437	0.2
137.02315	2.5
137.05951	0.3
145.04944	0.9
147.04494	0.3
147.06485	1.1
149.02353	0.5
153.01808	3.1
161.05881	0.3
163.03899	0.6
165.01804	1.9
173.05956	0.4
177.05460	0.3
183.02846	0.6
183.04294	0.2
187.03891	0.5
195.02806	0.4
201.05351	1.2
217.83627	0.2
229.04941	4.1
235.28525	0.2
247.06015	0.7
255.84015	0.2
257.04419	2.4
274.04581	0.9
285.03931	1.1
303.04947	100.0
304.05301	2.9
315.04861	0.3
345.05981	0.5
407.20627	0.2
447.09515	0.3
465.10461	0.5
619.62689	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1598
Annotation	Kaempferol 3-O-beta-D-glucosylgalactoside
Peak:m/z	Relative Intensity
50.74308	0.1
52.85463	0.2
53.03941	0.4
55.01862	0.4
57.03429	1.5
58.04120	0.1
59.04975	0.2
61.02930	0.8
68.99798	0.4
69.03425	2.0
70.78475	0.3
70.78811	0.2
71.04987	7.5
73.02901	0.4
75.04462	0.2
81.03406	1.0
83.04957	0.2
83.65663	0.1
85.02896	12.7
87.04470	0.3
91.03905	0.3
93.00758	0.1
93.03402	0.2
97.02885	2.1
98.06297	0.1
99.04450	0.6
100.14571	0.1
105.03377	0.2
107.04922	0.4
109.02869	1.0
111.00786	0.8
111.04424	0.2
113.38720	0.1
121.02865	2.4
123.04428	0.5
127.03900	1.4
129.05473	1.8
129.06985	0.2
133.02869	0.3
135.04454	0.2
137.02330	1.6
139.03818	0.2
145.04938	1.0
145.06473	0.3
147.04398	0.5
147.06474	0.4
149.02303	0.2
153.01807	3.0
157.06448	0.3
163.03856	0.2
165.01854	1.7
171.04408	0.3
183.02895	0.9
185.05943	0.4
189.05406	0.2
200.30394	0.1
201.05501	0.5
203.11546	0.2
213.05466	1.0
219.06384	0.2
229.04901	1.3
231.06485	0.8
241.04918	0.8
247.06041	0.3
257.04443	0.9
258.05215	0.8
259.06006	0.3
267.32391	0.1
274.04691	0.2
285.03891	0.4
287.05466	100.0
288.05783	2.8
299.05475	0.3
303.04953	36.4
304.05206	1.0
315.05197	0.2
325.55286	0.2
329.06445	0.2
345.05972	0.3
357.36734	0.2
413.08786	0.2
431.09265	0.2
449.04483	0.3
449.10779	6.8
465.10254	5.8
466.10919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.16
Annotation	Kaempferol 3-O-beta-D-glucosylgalactoside
Peak:m/z	Relative Intensity
53.03942	0.5
55.01869	0.2
55.05500	0.1
57.03437	1.1
61.02925	0.9
61.87243	0.1
68.99802	0.4
69.03419	2.0
69.64278	0.6
69.64693	0.3
71.04987	5.3
73.02909	0.4
81.03410	1.0
83.04971	0.2
85.02895	10.6
87.04449	0.5
87.60371	0.1
91.03938	0.2
95.04993	0.1
97.02891	1.9
99.04428	0.2
107.04955	0.4
109.02858	0.8
111.00809	0.9
111.04433	0.2
121.02856	2.5
123.04425	0.4
127.03887	1.4
129.05461	1.3
133.02838	0.5
135.04379	0.3
137.02328	1.0
139.03877	0.2
145.04953	0.9
145.06033	0.1
145.06378	0.1
147.04387	0.5
147.06522	0.2
149.02388	0.2
153.00594	0.2
153.01811	3.7
157.06494	0.3
161.06001	0.3
162.22507	0.1
163.03848	0.2
165.01826	2.2
171.04349	0.2
173.05907	0.2
183.02858	1.0
185.05934	0.4
189.05438	0.2
197.06030	0.2
201.05452	0.4
203.03513	0.1
213.05498	1.0
229.04868	1.1
231.06471	0.5
241.04898	0.7
247.06091	0.2
257.04361	0.7
258.05261	0.8
259.06049	0.4
269.04523	0.3
285.04025	0.3
287.05466	100.0
288.05795	2.4
288.08789	0.2
299.05536	0.3
303.04956	23.9
304.05316	0.6
329.06470	0.3
345.05887	0.1
356.06589	0.1
428.21954	0.2
449.10748	6.6
450.10748	0.2
465.10260	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.1
55.01876	4.7
55.05507	20.5
57.03434	3.9
65.03960	4.6
67.05493	25.1
69.03426	16.4
69.07053	26.6
70.55095	6.0
70.55485	7.7
71.04981	9.6
77.30967	3.0
79.05468	22.1
81.03403	28.2
81.07050	61.7
81.83437	3.4
83.04972	10.8
83.08598	9.5
85.02901	18.8
85.06559	4.4
89.03905	7.7
91.05419	19.5
91.26718	3.3
93.07030	26.3
95.04949	13.0
95.08591	55.7
97.02888	9.6
97.06542	9.1
97.10160	12.4
99.04426	5.0
99.08100	4.3
103.05456	8.4
105.07024	25.5
107.04958	13.6
107.08578	37.7
109.03162	15.9
109.06500	7.3
109.10134	36.6
111.04426	8.9
111.08060	8.7
115.05431	5.0
117.03362	21.9
117.06995	10.3
119.04924	16.0
119.08566	19.8
121.06464	9.2
121.10144	24.5
123.04417	7.2
123.08056	6.9
123.11713	18.9
125.02318	4.9
125.05962	4.9
125.09608	4.9
127.03907	14.5
129.06987	3.9
131.04860	8.3
131.08556	10.4
133.10112	16.9
135.04388	6.7
135.11708	19.0
137.05988	26.3
137.09613	4.1
137.13231	5.9
139.03937	4.0
139.11211	4.6
143.03395	5.3
143.08540	5.1
145.02811	48.8
145.06508	9.8
145.10110	11.2
147.04347	19.0
147.08090	5.3
147.11674	12.7
149.05978	12.8
149.09535	4.4
149.13185	21.6
151.03888	16.5
151.07516	10.1
151.14806	6.6
153.01819	11.7
153.05498	3.9
153.12704	3.4
157.10101	3.9
159.07924	4.0
159.11671	15.4
161.06029	7.1
161.09566	6.1
161.13257	8.1
163.03917	7.2
163.07527	4.7
163.11205	6.1
163.14783	6.5
165.12791	5.0
167.07060	38.4
171.02835	5.9
171.11719	4.2
173.05934	5.8
173.13329	5.5
175.03976	6.2
175.07561	11.7
175.14838	4.2
177.05449	100.0
178.05846	6.0
179.07101	5.6
181.04961	39.3
185.13329	3.8
187.07567	6.7
187.11119	3.5
187.14813	3.7
189.09053	6.1
189.16388	4.4
191.06926	7.1
191.14389	4.0
191.17990	4.7
193.08681	5.6
193.15741	3.9
195.02936	10.3
195.06506	8.1
199.14859	4.1
201.16449	4.7
203.10687	3.8
207.06525	9.4
209.07915	4.5
209.15289	4.5
217.08641	3.9
229.05093	4.1
273.07547	6.7
277.25143	6.0
283.15952	3.5
287.05441	3.9
289.25336	5.0
299.05655	5.2
303.05035	40.2
321.09799	4.0
339.11099	3.5
381.22867	6.3
385.12930	6.8
397.27750	3.7
403.28510	3.5
413.34479	5.1
415.28439	15.5
421.29327	4.3
431.35547	5.4
433.29364	23.7
451.30179	9.3
611.21289	12.2
611.34467	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	611.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.7
55.05504	12.2
57.03417	3.6
57.07076	2.6
59.29210	1.4
62.96463	1.4
67.05495	27.8
69.07061	15.5
69.70693	4.5
69.71117	5.9
71.04968	2.6
71.08611	1.5
79.05489	14.9
81.07049	28.2
83.04971	1.5
83.08611	8.4
91.05450	15.3
93.07038	22.0
95.04945	2.9
95.08598	22.5
97.10161	4.8
98.20759	3.3
98.97866	1.5
99.08082	3.0
100.05629	1.5
105.07021	15.0
107.08575	11.5
109.10169	9.9
115.05406	1.6
117.07001	10.6
119.08552	17.3
121.10089	8.4
123.11699	3.0
129.06984	9.2
131.08553	16.2
133.10110	8.4
135.11679	4.9
141.06926	3.5
143.08548	13.0
145.10092	14.9
147.11674	6.1
149.13258	3.6
155.08546	5.9
157.10124	11.6
159.11661	12.2
161.13246	6.4
167.08586	3.3
169.10072	11.0
171.11656	13.7
173.13303	8.9
175.14819	3.6
181.10094	3.8
183.11653	9.5
185.13229	7.0
187.14821	6.4
193.10175	1.7
195.11754	4.8
197.13248	6.2
199.14828	7.0
201.16364	3.5
209.13222	4.3
211.14851	3.6
213.16428	3.9
215.17912	2.9
221.13234	1.8
223.14783	3.6
225.16391	4.1
227.18007	3.4
229.19484	3.6
239.17896	2.1
241.19711	2.4
247.14719	1.9
253.19604	1.8
257.19055	2.0
270.55640	1.7
297.22128	2.1
307.20337	1.6
351.42426	1.7
446.87170	1.8
449.34024	2.1
519.42151	8.3
537.43036	7.0
593.45276	9.0
611.46594	100.0
612.46997	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	611.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
55.01856	3.2
55.05502	28.4
55.08985	1.9
57.03431	9.7
57.07061	7.8
60.63713	1.8
65.03951	3.9
67.05496	75.8
68.05813	1.9
69.03434	3.2
69.07061	31.4
71.04993	5.0
71.26497	4.1
79.05479	49.9
81.03417	4.4
81.07045	86.0
81.69850	1.7
82.07440	2.3
83.04981	2.5
83.08613	14.0
85.06513	3.3
88.93858	1.8
89.06001	2.8
91.04900	2.8
91.05468	52.0
91.06015	3.8
92.05807	2.9
93.07030	97.2
94.07368	7.9
95.04961	7.4
95.08594	57.2
96.08951	2.5
97.06520	5.6
97.10168	6.2
105.07020	48.7
107.08579	50.7
108.08920	7.5
109.06511	3.5
109.10151	26.0
111.08087	2.6
117.07004	22.0
119.08562	38.0
119.63770	2.0
121.10129	26.4
123.11697	8.5
125.09612	2.3
128.06186	2.8
129.07001	16.3
131.08545	34.9
133.10115	32.1
135.11674	39.7
136.12033	10.4
137.09644	2.3
137.13234	3.6
141.06978	5.4
142.07724	3.0
143.08545	22.3
145.10109	37.4
147.11664	28.6
149.13242	13.6
155.08511	6.0
156.09251	2.6
157.10100	15.0
159.11681	28.3
161.09644	1.9
161.13260	17.9
163.14792	4.6
169.10074	14.4
171.11667	17.5
173.13264	18.3
175.14842	8.6
181.10194	3.8
181.36111	1.9
183.11691	8.1
185.13213	18.9
187.14856	8.6
195.11667	4.6
197.13243	10.0
199.14827	11.1
201.16373	5.0
209.13306	3.7
211.14790	6.7
213.16400	5.5
215.18137	3.4
217.19592	2.3
223.14908	3.1
225.16444	4.6
227.17943	4.2
239.18060	3.6
241.19565	9.9
249.16527	2.7
257.19019	5.0
259.20520	16.8
261.22180	2.2
286.58411	2.3
297.22354	2.4
301.35165	2.1
315.23166	2.1
333.24231	8.7
335.25714	17.2
429.10406	2.0
476.85345	1.8
515.37518	2.2
519.42029	6.2
537.43188	2.7
593.45551	7.8
611.46582	100.0
612.47198	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	611.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	3.2
54.78941	1.1
55.01859	2.4
55.05503	16.1
55.97746	1.2
56.05822	1.3
57.03420	6.1
57.07053	3.7
62.80505	1.2
65.03935	1.7
67.05496	40.7
69.07062	15.6
69.51996	9.4
77.72064	1.2
79.05062	2.5
79.05486	27.7
80.17496	1.2
81.06576	2.7
81.07048	41.2
83.08189	1.1
83.08601	7.3
85.06536	1.8
91.05473	29.3
93.07035	35.5
95.04964	3.7
95.08601	37.8
96.67394	1.2
97.06537	2.3
97.10151	4.4
98.21517	2.2
101.91090	1.3
103.05487	1.4
105.07016	26.0
107.08582	22.4
109.06551	1.6
109.10140	15.1
115.05405	1.5
115.55977	1.2
117.07005	12.8
119.08563	27.1
119.36652	1.3
121.10133	17.3
123.08051	2.1
123.11715	4.4
125.09692	1.6
128.06206	2.2
129.06972	7.7
130.07762	1.3
131.08549	22.4
133.10126	19.4
135.11661	11.8
141.06985	2.1
142.07793	3.6
143.08527	10.7
145.10109	22.6
147.11655	15.8
149.13268	5.4
155.08530	4.2
157.10104	11.5
159.11674	18.2
161.13234	16.1
162.38536	1.1
163.14815	4.2
167.08569	2.6
168.09341	1.4
169.10091	7.2
171.11681	11.4
173.13249	13.6
175.14835	6.2
177.16510	1.5
181.10019	2.1
183.11696	9.0
185.13249	10.4
187.14876	4.8
189.16386	2.1
195.11687	2.5
197.13268	6.9
199.14879	7.2
201.16452	4.1
209.13359	1.6
211.14828	3.4
213.16414	4.6
215.17963	2.2
223.14857	2.3
225.16428	2.1
231.21185	1.9
239.18079	1.9
241.19630	11.2
243.21013	2.3
257.19012	3.5
259.20566	19.4
261.19385	1.1
261.22260	5.3
278.35562	1.3
285.21985	1.7
311.23746	1.4
315.23279	2.2
323.23682	2.2
325.25146	1.7
327.23038	1.3
333.24185	11.2
335.25793	16.1
353.28201	1.6
405.31165	1.3
489.36069	1.6
519.41852	6.6
529.39142	1.6
537.43201	2.3
541.38824	2.2
593.45447	10.6
611.46606	100.0
612.46777	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	611.466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72175	0.9
53.03928	3.3
55.01862	2.4
55.05505	14.5
57.03434	5.6
57.07059	3.3
57.62044	0.8
59.04985	1.1
65.03904	2.1
67.05497	42.2
68.05849	1.0
69.03397	1.3
69.07061	13.6
71.04993	2.3
71.08624	1.3
79.05485	31.1
81.03403	1.9
81.07047	49.3
82.07371	1.8
82.21580	0.8
82.61515	0.8
83.04971	1.0
83.08621	8.3
85.06515	2.5
89.05999	0.9
91.04902	1.4
91.05471	29.3
92.05794	1.7
93.07032	49.2
94.07355	4.4
95.04950	4.6
95.08595	39.5
97.06521	3.5
97.10160	3.3
98.21518	2.0
103.05444	1.1
105.07018	31.1
106.07391	1.1
107.04894	0.9
107.08585	29.7
108.08904	2.9
109.06493	1.4
109.10150	15.4
111.08105	1.3
111.11657	1.1
111.55119	0.8
115.05440	1.7
117.07014	12.6
119.08568	27.6
120.75908	0.8
121.10137	15.3
123.08084	1.2
123.11684	4.8
125.09610	1.9
128.06169	1.7
129.05493	1.5
129.06981	9.7
131.08557	20.6
133.10107	21.3
135.11674	22.3
136.12022	5.3
137.09561	0.9
137.13231	2.4
138.13522	0.8
141.06973	2.1
142.07735	1.7
143.08528	11.6
144.09334	1.0
145.10097	18.2
147.08031	0.9
147.11671	15.3
149.09660	1.1
149.13257	7.5
151.11125	1.2
155.08459	4.2
156.09309	1.5
157.10112	11.5
159.11655	14.4
161.13235	11.2
163.11223	1.1
163.14801	4.2
167.08563	2.4
169.10091	6.3
171.11671	9.0
173.13239	12.2
175.14781	5.9
177.16260	1.1
181.10138	1.8
183.11713	6.0
185.13237	9.4
187.14778	6.8
189.16507	1.4
193.10187	1.0
195.11685	2.0
197.13319	4.2
199.14806	5.3
201.12791	1.1
201.16368	3.5
209.13237	1.9
211.14777	4.4
213.14630	1.0
213.16400	4.2
215.18010	2.1
217.19525	2.0
223.14764	1.3
225.16348	2.1
227.17979	2.0
229.19519	2.4
231.17586	1.0
231.21115	2.4
239.18008	2.4
241.19553	9.0
243.21111	2.0
251.17940	1.5
253.19681	1.0
257.19077	4.3
259.20560	15.0
261.22104	4.2
265.19476	1.5
271.20645	1.0
285.21951	1.2
311.23529	0.9
331.22833	1.2
333.24188	9.9
335.25748	19.0
337.27499	2.0
353.28427	1.7
367.30048	1.3
381.31345	1.0
408.16614	1.0
421.30536	1.2
449.33163	1.0
501.35141	1.4
515.36847	1.0
519.41956	5.5
527.37445	1.5
529.39093	1.2
537.42963	2.8
569.42676	1.1
593.45520	8.1
611.46619	100.0
612.46771	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	613.2273
Annotation	C11830
Peak:m/z	Relative Intensity
51.02362	0.4
53.03924	0.5
53.62946	0.4
55.01855	0.8
55.05508	0.5
55.38967	0.3
65.03925	2.3
66.04714	0.4
67.05475	1.2
69.03404	1.5
69.07039	0.4
69.74985	0.4
71.04983	0.4
71.52768	0.5
73.11073	0.4
78.04701	2.5
79.05491	1.8
81.03387	1.3
81.07037	1.5
82.00522	0.4
82.04164	0.6
85.02880	1.9
91.05474	4.0
93.07021	1.1
94.04155	0.6
95.04951	2.4
95.08585	0.9
97.02860	1.7
97.06511	1.0
103.05459	2.2
105.07022	0.6
106.04148	1.5
107.04942	2.7
107.08567	0.6
109.02866	0.8
110.03620	0.8
111.04430	1.7
115.05437	5.7
117.07001	7.6
119.04939	3.5
119.08556	0.6
121.02858	19.1
121.06461	0.9
122.03664	0.6
123.04426	8.2
123.11719	0.5
124.05236	2.4
125.05947	1.3
127.03911	0.8
127.05418	0.9
128.06212	0.4
129.06970	0.9
130.04111	0.6
131.04895	1.5
131.08482	0.5
133.02861	0.4
133.06450	0.9
133.10107	0.7
135.04385	1.0
135.11650	0.5
137.05962	13.4
138.03125	1.0
138.06248	0.4
139.03899	2.5
142.02605	1.1
143.05000	0.9
144.05722	1.0
145.06468	12.9
145.07626	0.6
147.04404	4.9
147.08031	0.8
149.06000	0.6
151.03894	3.4
151.07513	1.3
152.04643	2.1
153.05486	1.9
155.04851	0.7
155.05997	4.7
155.07097	0.4
157.06488	0.7
158.75827	0.4
159.08041	0.5
160.05154	0.5
161.05980	1.5
163.03883	1.6
163.07553	0.9
165.05463	1.7
167.07016	100.0
168.07349	1.7
171.06477	1.7
173.05965	21.3
175.03874	0.8
175.07545	1.1
177.05438	0.9
179.07018	1.6
181.04933	30.9
187.03761	0.5
187.07512	0.5
189.05397	0.6
189.09001	0.5
191.07037	1.4
201.05386	0.6
203.07057	1.0
205.08580	4.9
206.07133	0.4
207.06451	1.3
207.08194	0.6
209.07994	0.6
212.41861	0.4
213.05487	0.4
219.06390	0.7
219.10062	0.5
221.08009	0.6
231.06415	0.5
233.08025	6.9
234.08600	0.5
235.09628	5.0
235.55338	0.4
264.07932	0.4
277.08655	0.5
279.06415	0.5
297.11130	0.5
303.05170	0.7
303.08600	0.4
310.08429	0.5
325.10645	0.6
326.11658	0.5
331.15564	0.5
357.13199	3.2
381.13135	0.6
385.12735	15.8
386.13297	1.2
387.14334	13.0
388.15057	0.6
399.14481	0.9
415.13828	0.7
416.14743	2.6
417.15366	28.9
418.15839	1.2
519.41675	0.4
583.21759	2.2
613.22687	28.3
613.31000	1.1
614.22906	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4817
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.37955	1.0
53.03935	4.7
55.01864	1.7
55.05264	1.6
55.05510	24.9
57.03437	9.0
57.07088	5.9
57.07319	1.1
59.34935	1.2
65.03931	2.5
67.05501	59.9
69.07063	20.0
69.83526	4.9
69.83932	3.0
71.04983	1.3
71.08640	1.6
79.05489	37.5
81.07050	65.6
83.08614	11.7
85.06522	2.5
91.05473	25.2
93.07034	42.8
95.04967	2.9
95.08599	53.1
97.06521	2.8
97.10159	3.8
99.08083	2.1
103.05476	1.3
105.07022	28.4
107.08585	26.5
108.21051	1.1
109.06531	1.3
109.10149	27.2
111.08038	1.3
111.11671	1.7
117.07008	11.6
119.08575	28.7
121.10129	22.1
123.08093	1.8
123.11697	9.7
125.09577	1.7
129.06989	4.0
130.07768	1.6
131.08559	22.7
133.10115	22.1
135.11691	13.6
137.13255	3.3
143.08548	7.9
144.09387	1.5
145.10120	20.5
147.11676	16.3
149.13231	8.6
155.08556	1.8
157.10114	7.0
159.11685	18.1
161.13219	9.5
163.14806	4.3
169.10168	3.3
171.11702	7.4
173.13251	10.1
175.14876	6.5
177.16319	1.9
183.11703	2.1
185.13257	4.8
187.14777	7.3
189.16397	3.7
199.14816	4.3
201.16379	3.0
203.17982	2.8
211.14844	2.1
213.16432	1.8
215.17924	2.1
225.33612	1.2
227.17967	1.6
235.17018	1.2
241.19528	3.5
243.21080	2.1
259.20593	7.6
261.22061	11.7
263.23730	2.0
272.90201	1.3
281.20920	1.2
288.53500	1.2
317.24789	1.4
333.24188	7.1
335.25809	13.9
337.27286	7.3
359.29767	1.3
521.43561	7.4
529.39044	1.9
531.40137	1.7
539.44751	3.7
595.47137	9.9
613.48199	100.0
614.48523	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	613.4817
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03936	3.4
53.15408	1.1
55.01846	2.0
55.05505	19.7
57.03427	5.8
57.07066	4.8
62.56179	1.3
65.03941	3.0
67.05499	59.5
68.05830	1.2
69.07068	23.5
69.83459	7.4
71.04996	3.4
71.08622	1.4
79.05486	32.4
81.07050	68.0
83.04966	2.0
83.08615	11.4
85.06536	2.3
85.10161	1.7
91.05472	24.7
91.78137	1.2
92.64728	1.2
93.07035	45.1
95.04955	3.7
95.08601	56.6
97.06523	2.2
97.10155	8.8
99.08052	1.4
105.07018	29.2
107.08588	30.4
108.96271	1.2
109.06536	1.2
109.10149	29.5
111.08082	2.4
111.11704	1.3
117.07017	10.9
119.08561	28.4
121.10140	28.3
123.11703	11.4
128.06223	1.6
129.06996	4.8
131.08560	23.5
133.10107	24.1
135.11688	16.3
137.13263	3.8
139.11142	1.8
143.08524	9.2
145.10118	22.6
147.11665	17.2
149.13249	10.9
150.02409	1.2
151.14888	1.5
155.08582	2.1
157.10109	9.3
159.11673	17.3
161.13229	12.2
163.14827	5.8
169.10146	2.5
171.11697	8.5
173.13268	13.9
175.14734	7.0
177.16382	2.5
181.10129	1.9
183.11714	3.0
185.11850	1.3
185.13188	6.7
187.14795	6.8
189.16408	4.1
197.13260	3.8
199.14839	3.8
200.33319	1.5
201.16409	4.5
211.14726	1.4
213.16507	2.8
215.17970	2.9
225.16460	1.5
229.19571	1.5
241.19649	3.0
243.21159	1.7
245.19057	1.4
247.20764	1.5
259.20575	8.8
261.22095	11.1
263.23761	1.7
273.22113	1.8
279.23279	1.7
285.22247	1.3
287.23676	1.5
295.22559	1.5
299.23492	1.4
313.25323	2.0
315.26874	1.2
321.24252	1.8
333.24121	5.6
335.25797	17.7
337.27499	7.5
411.81915	1.5
489.35901	1.9
503.37234	2.2
521.43463	8.4
539.44690	3.3
543.40253	2.4
553.41913	1.6
557.45197	1.5
595.47180	10.6
613.48199	100.0
614.48499	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	614.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
57.07069	7.2
58.06588	1.9
63.45757	0.4
65.03928	0.7
69.03412	0.4
69.71009	0.4
70.06585	18.7
71.08621	3.0
71.37389	0.9
72.08147	0.7
74.06073	0.6
82.40601	0.4
85.10178	0.7
86.13502	0.4
88.07623	21.6
91.05476	0.6
102.09171	16.5
103.05498	0.8
114.94618	0.4
129.16422	0.5
139.03882	0.5
139.81621	0.4
149.02332	45.1
149.03325	1.9
150.02650	0.8
153.06952	0.5
170.83661	0.5
175.03952	0.7
193.04947	53.2
194.05415	0.7
195.29967	0.4
212.23785	0.7
219.06625	1.1
225.05463	1.0
256.26324	50.6
257.26791	1.1
269.04398	2.2
292.74847	0.6
297.03946	3.0
313.06979	3.2
341.06531	12.0
342.06973	0.5
359.07559	7.5
360.07828	0.6
385.09137	53.4
386.09491	2.6
596.32080	0.8
614.33154	100.0
615.33392	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	614.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.5
55.01881	7.4
55.05509	46.5
57.03427	19.4
57.07053	9.0
67.05497	95.2
69.07064	35.4
69.22592	13.3
69.22988	58.8
70.06577	13.2
71.08614	22.1
79.05489	95.0
81.03416	59.0
81.07047	100.0
83.04967	33.0
83.08596	34.6
85.02880	25.0
85.06509	6.6
91.05464	87.0
93.07035	84.2
95.04964	46.5
95.08599	41.4
97.06527	10.8
97.10172	16.0
99.08074	31.8
105.03394	19.0
105.07043	49.6
107.04926	14.9
107.08583	37.2
109.06439	10.4
109.10120	10.1
111.08089	25.2
115.05479	6.3
117.07006	17.5
119.08566	34.8
121.10130	30.5
123.08047	11.6
123.11641	8.7
125.09666	6.4
127.09766	7.5
129.07018	18.0
131.08551	26.5
131.09407	6.2
133.10144	32.3
135.11746	10.7
135.96085	6.9
146.11734	10.6
147.08060	7.1
147.11674	25.3
149.02374	13.0
149.05952	73.8
149.09610	7.0
149.13206	16.5
151.11163	25.4
157.10150	19.9
159.11752	10.5
163.11185	15.0
175.11171	16.7
179.14346	7.7
193.04926	15.4
193.12238	61.6
195.13779	8.7
211.13234	87.1
211.14989	7.9
227.12784	11.3
267.15881	25.2
269.17401	21.0
277.21674	19.5
285.16879	56.6
297.07581	15.8
300.28903	37.0
341.10098	61.7
342.10519	8.0
351.04718	6.4
351.25250	24.1
406.87021	6.8
447.18796	7.5
461.28699	20.7
479.30035	86.9
561.37158	16.8
614.36871	98.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2433
Annotation	Chlorophyllide a
Peak:m/z	Relative Intensity
52.99266	0.5
53.03930	1.3
55.01868	7.1
55.05505	0.5
60.70711	0.5
65.03931	9.7
66.73093	0.5
67.05479	2.4
69.03407	1.2
69.07054	0.8
69.87507	1.3
69.87907	1.9
71.01328	0.9
77.03928	0.6
79.05476	3.0
81.03386	1.3
81.07041	1.6
82.04177	2.1
83.04971	1.0
85.02882	2.1
91.05471	5.4
93.03391	3.1
93.07031	1.3
94.04163	0.6
95.01315	0.9
95.04961	3.1
95.08596	1.4
97.02861	0.7
97.06509	1.5
98.21429	0.9
103.05460	10.7
105.03381	1.6
105.07027	4.0
106.04145	0.7
107.04934	3.9
107.08560	1.0
108.02073	1.1
109.02879	0.7
109.06505	1.4
109.10168	1.3
110.03643	7.4
111.03707	1.0
111.04429	10.2
115.05429	1.5
116.91913	0.5
117.07023	2.1
118.04138	2.0
119.04915	4.5
119.08597	1.0
121.02859	6.9
121.06490	1.7
121.10131	1.1
122.03574	0.6
123.04472	2.9
124.05222	0.8
125.05981	9.2
127.03917	0.6
129.06966	1.9
130.04128	0.7
131.04915	11.5
131.08548	0.8
132.05699	0.8
133.02838	3.5
133.06493	4.4
133.10085	0.6
135.04362	0.9
135.08000	0.9
137.05962	8.9
138.03107	1.4
139.03943	0.6
139.07474	0.6
140.04637	0.8
141.62035	0.5
142.02588	0.7
143.04922	0.7
144.05690	0.9
145.06454	1.9
146.03569	0.8
146.10464	0.5
147.04381	5.4
147.08032	0.7
148.05176	6.8
149.02316	1.9
149.05977	2.9
151.03862	4.7
151.07510	2.6
153.01904	0.5
153.05446	17.3
155.07014	1.3
157.06546	0.8
159.08003	1.7
161.05962	5.5
161.09605	1.5
162.06728	1.8
163.03911	0.7
163.07532	12.5
165.05464	4.1
165.06963	1.3
165.09102	1.9
167.07031	10.6
167.08432	0.7
168.07402	0.6
171.06549	1.2
171.08018	0.7
173.05937	1.4
174.06773	1.2
175.07547	2.4
176.04672	1.4
177.05470	7.5
177.06920	1.0
177.09027	0.9
178.07797	0.7
179.07033	2.2
179.08514	0.6
180.07768	1.4
181.04932	29.6
181.06271	1.2
182.07191	0.8
183.08029	0.7
184.05203	0.8
186.06824	0.6
187.07497	0.9
189.05415	0.8
189.09090	2.3
191.07007	57.4
192.07610	1.4
192.17778	0.5
193.04944	1.5
193.06560	0.7
193.08516	1.2
193.10123	0.7
195.06490	0.6
195.08041	2.6
195.09854	0.7
197.06044	0.8
197.09613	0.8
199.07455	0.7
205.06505	0.6
205.08427	1.0
207.06476	2.0
207.08174	1.0
207.10049	1.1
208.07251	2.0
208.08954	0.7
209.06114	1.1
209.08018	8.2
210.06709	1.8
211.07533	2.2
212.08290	1.0
213.08977	0.6
217.08574	1.2
219.08208	0.7
219.10168	1.5
220.05176	0.5
221.05913	1.5
221.08073	6.4
221.09515	0.9
222.06642	0.8
222.10379	0.6
223.07536	2.4
223.11093	0.9
224.08342	0.9
225.05478	0.7
225.07324	5.9
225.08856	1.2
226.08325	1.1
227.07005	1.7
227.10565	0.8
231.08113	0.7
234.06770	1.4
235.07504	2.2
235.09630	0.9
237.05467	0.6
237.09099	2.3
238.06210	1.7
238.09866	3.2
239.06981	2.7
239.10622	1.4
240.07837	6.8
241.08578	1.4
249.05418	0.8
249.09047	1.5
249.11247	2.2
250.06174	0.8
251.06972	2.9
251.10706	1.2
252.07748	1.9
253.08574	14.2
253.12196	6.2
254.09311	1.7
255.06432	1.3
255.10211	3.9
257.08066	1.3
262.91409	0.5
264.07797	0.6
265.08548	1.6
266.05698	0.8
266.09372	2.9
267.06393	1.2
267.10037	2.8
268.07214	2.2
269.08115	3.0
269.11304	0.5
270.08780	2.7
270.12079	0.6
271.13242	1.4
272.10254	0.6
277.08615	1.5
278.09210	0.9
279.06686	0.6
279.10080	0.8
281.08011	3.8
281.11661	4.8
282.08777	1.7
283.09534	6.7
284.10229	2.4
285.07962	1.0
285.11197	3.5
285.14758	1.3
294.08728	1.0
295.09650	1.8
296.10498	0.9
297.07669	0.8
297.11258	1.7
298.08563	0.7
298.12003	1.5
299.09213	1.1
299.12677	6.6
300.09918	1.1
301.10785	0.7
303.15750	0.6
309.07681	1.0
309.11130	6.8
310.11945	1.7
311.08878	1.0
313.10696	8.1
313.14288	3.5
325.10745	0.7
326.11426	0.9
327.12238	25.9
328.13040	1.4
329.10126	0.9
331.15250	2.1
339.12219	1.1
341.13867	3.6
343.15247	0.9
353.13956	1.0
357.13535	0.7
359.14841	100.0
360.15219	2.6
371.14862	5.2
372.15448	1.3
381.13245	0.6
389.15857	9.5
417.33563	0.6
418.16290	3.5
503.16940	1.6
535.19775	0.7
570.80817	0.5
615.24176	2.2
615.33313	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	615.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03949	1.1
54.77385	0.5
55.01866	9.0
55.05488	0.7
57.03423	0.7
57.96866	0.6
65.03615	0.7
65.03937	11.0
66.04722	0.5
67.05504	3.6
69.03405	2.1
69.07048	1.3
70.42508	1.1
70.42905	1.5
71.01369	0.6
79.05479	3.9
81.03400	2.0
81.07037	3.9
82.04185	2.4
83.04980	0.6
85.02885	2.9
91.05476	7.2
93.03410	2.9
93.07011	2.6
94.04204	0.5
95.01303	1.5
95.04971	4.4
95.08599	2.5
97.02895	1.1
97.06513	1.7
102.04662	0.6
103.05463	14.3
105.03379	1.8
105.04511	0.8
105.07038	5.6
106.04174	1.0
107.04947	6.1
107.08581	1.6
108.02085	0.9
109.06520	2.3
109.10135	1.7
110.03658	10.3
111.04436	11.0
111.08015	0.8
115.05442	2.2
117.07018	2.0
118.04176	2.6
119.04950	4.1
119.08570	1.3
121.02860	6.8
121.06512	2.9
121.10101	1.8
122.03676	0.8
123.04447	4.0
123.08042	0.7
124.05206	0.6
125.05988	11.2
127.03937	1.2
128.06174	0.8
129.06966	2.4
130.04147	1.3
131.04927	14.6
131.08542	0.8
132.05711	1.7
133.02831	3.2
133.06479	3.9
133.10072	0.8
135.04453	0.9
135.08028	1.6
135.11626	0.9
136.05188	0.7
137.02373	0.8
137.05965	11.3
138.03117	2.3
139.03899	0.7
140.04710	1.0
142.02617	1.0
144.05687	1.0
145.06488	3.0
145.10107	0.7
146.03641	1.1
147.04417	5.2
147.08063	1.1
147.11617	0.6
148.05182	7.8
149.02321	2.3
149.05988	3.8
149.09592	1.3
149.13199	0.7
151.03911	7.7
151.05005	1.0
151.07552	3.2
153.05452	20.4
155.07028	1.5
157.06468	2.0
159.08011	2.1
159.11757	0.9
161.05986	6.3
161.09601	2.4
162.06709	1.5
163.03870	1.1
163.07526	12.6
165.05486	4.3
165.06999	1.4
165.09079	4.5
166.06210	1.0
167.07037	13.8
167.08386	0.9
168.07425	1.2
169.05057	0.6
169.06398	1.0
169.07707	0.8
171.06577	2.8
171.07861	0.7
173.06070	1.2
174.06721	1.2
175.03915	0.6
175.07564	3.7
176.04669	1.9
177.05472	9.8
177.06902	0.6
177.09006	0.9
178.07748	0.7
179.06984	2.3
179.08408	1.1
180.07793	1.4
181.04950	39.2
181.06400	1.8
181.08525	1.7
182.07292	0.6
183.08038	0.9
184.05156	0.8
185.06055	0.7
187.07568	1.9
188.08260	1.1
189.09023	2.6
191.07018	67.2
192.07619	1.7
193.04970	2.0
193.08490	0.8
194.07249	1.4
195.08047	2.2
197.05994	1.4
197.07977	0.8
197.09662	1.2
199.07504	0.6
201.09041	0.6
203.06935	0.8
203.08618	0.8
205.06462	0.6
205.08528	1.4
207.06493	1.5
207.08102	1.4
207.09988	0.7
208.07211	2.4
209.06070	1.0
209.08043	13.7
209.09645	0.8
210.06737	2.4
210.10432	0.6
211.07536	2.5
212.08282	1.7
213.09146	1.5
217.08580	1.0
219.08315	0.6
219.10182	1.8
220.08795	0.6
221.05972	1.0
221.08078	7.5
221.09615	1.2
221.11400	0.6
222.10391	0.6
223.07582	2.8
223.11127	0.8
224.08353	2.2
225.05533	0.8
225.07321	5.9
225.09198	1.9
226.08363	1.1
227.06955	3.2
227.10551	1.0
234.06697	1.6
235.07491	1.8
235.09586	1.0
237.05450	0.9
237.09093	2.1
238.06226	2.7
238.09825	3.0
239.06982	3.2
239.10603	1.3
240.07822	6.4
241.08464	1.7
247.07446	0.6
248.08409	0.8
249.05368	1.2
249.09073	2.5
249.11305	2.3
251.06952	2.7
251.10822	0.7
252.07814	2.1
253.08583	13.7
253.12187	4.8
254.09326	2.3
255.06531	2.1
255.10184	3.7
257.08044	1.8
262.06284	0.6
263.07086	0.8
263.10681	0.8
265.08466	1.6
266.05688	0.6
266.09363	2.4
267.06747	1.2
267.10135	2.8
268.07343	2.9
269.08005	3.2
270.08917	2.9
271.09583	0.6
271.13058	1.1
277.08533	1.5
278.09305	0.9
279.06439	1.0
279.10144	1.0
281.08365	4.4
281.11719	4.0
282.08835	1.6
282.12402	0.8
283.06638	0.9
283.09738	7.5
284.10260	2.6
285.07892	1.1
285.11163	3.3
285.14841	2.1
293.08121	0.7
294.08868	1.4
295.09665	2.8
296.10291	1.5
297.11118	1.9
298.11951	1.6
299.09592	1.0
299.12762	6.4
300.09827	1.1
301.10733	0.6
303.04953	1.4
303.15906	0.8
309.11209	6.4
310.12006	2.1
311.09183	0.6
313.10663	9.3
313.14294	2.9
317.10132	0.8
325.10764	0.9
326.11533	1.1
327.12259	28.0
328.12878	1.6
329.09943	0.7
329.13632	0.9
331.15399	2.4
339.12311	1.5
341.13913	4.5
343.15503	0.9
353.14185	0.8
357.13251	1.0
359.14856	100.0
360.15341	2.7
371.14926	6.6
372.15482	1.9
383.14734	0.6
389.15912	15.8
399.14545	0.7
408.08041	0.5
418.16055	3.6
443.17038	1.0
503.16922	1.6
535.19281	1.0
615.23517	2.8
615.33307	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	615.498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	17.2
57.03419	4.5
57.07064	7.3
65.71514	2.6
67.05503	48.6
69.07063	22.6
71.26706	3.3
71.27027	4.2
79.05482	32.2
81.07050	53.8
83.08607	13.3
86.94377	2.3
91.05486	17.7
93.07045	29.9
95.04965	4.4
95.08598	48.4
97.10186	7.1
105.07034	19.3
107.08594	18.8
109.10146	20.6
111.11692	2.8
117.07027	6.3
119.08578	23.1
121.10133	16.9
123.11727	8.9
131.08562	12.5
133.10089	13.9
135.11656	13.8
145.10052	13.2
147.11726	10.0
149.13254	7.8
151.14812	3.1
157.10130	3.4
159.11757	5.7
161.13257	5.4
166.32957	2.6
173.13385	4.5
175.14882	3.7
185.13203	3.2
187.14859	4.4
259.20480	5.3
261.22159	11.4
333.24551	3.0
335.25751	7.4
337.27435	11.6
339.29028	3.8
494.50760	3.1
523.44745	4.0
541.46289	5.1
568.14020	3.1
597.48511	14.0
615.49792	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48450	1.3
55.05518	1.7
57.03421	1.1
59.84355	1.1
67.05489	4.9
69.03432	1.3
69.07060	3.2
70.31221	5.5
71.64635	1.0
79.05470	1.7
81.03409	2.2
81.07034	5.5
83.04986	1.5
85.02876	1.5
89.86028	1.0
91.05479	3.9
93.07038	4.2
94.06586	2.0
95.04982	2.6
95.08617	2.7
97.02879	1.7
97.06483	1.5
105.07030	2.6
106.06519	2.1
107.08604	2.7
108.08140	1.2
109.10134	2.7
119.08566	1.3
120.08130	1.3
121.10135	3.4
122.06034	4.1
123.11697	1.6
124.07583	16.6
131.08578	1.4
133.10146	1.5
134.05984	2.1
136.07547	14.3
137.05974	2.8
146.06004	9.1
147.04390	3.3
148.07542	9.2
151.07576	1.6
152.07072	3.8
159.11720	1.7
162.48903	1.3
163.03938	1.6
164.07030	13.1
165.05432	1.6
165.09195	2.0
166.08638	12.9
167.07086	2.2
172.03928	4.2
174.05458	2.5
176.07057	14.0
177.05455	2.2
181.04971	1.3
191.05760	1.5
200.13472	1.2
204.06459	5.8
206.08017	1.4
207.06461	1.5
210.11497	1.6
211.12297	2.8
223.12263	2.8
224.09465	1.3
225.10213	3.9
235.08545	2.3
235.12340	4.3
236.12970	1.5
237.10065	7.7
237.13969	3.6
238.10939	12.2
239.11707	15.4
245.12834	2.2
248.09421	1.7
249.10234	5.1
250.11006	3.5
251.11792	12.0
252.12537	1.4
253.13300	2.6
260.09641	1.1
262.11069	1.8
263.11743	14.0
263.14096	2.2
264.08847	3.1
264.12543	1.9
265.09747	6.4
265.13351	23.0
266.10471	2.1
267.11230	4.5
267.14969	1.0
269.12738	3.9
271.14340	14.0
275.11890	1.6
277.09671	3.1
277.13324	3.1
278.10556	3.6
279.11240	100.0
280.11942	10.6
281.12756	3.5
283.10828	2.3
283.14365	2.7
284.11569	2.1
285.12448	1.6
287.13867	4.9
289.15509	3.1
291.11307	5.4
293.12836	5.3
294.13525	1.7
295.10736	4.0
295.14285	2.5
296.11636	4.4
297.12305	66.2
298.13028	6.3
299.13763	2.6
303.04916	2.0
309.12341	32.1
310.13046	14.7
311.13879	6.9
315.13321	4.3
319.10712	3.8
321.12244	10.4
322.13147	1.6
324.11032	2.3
325.11853	4.8
337.08591	0.9
337.11758	56.0
338.12567	20.8
339.13351	74.7
340.14063	2.5
369.14420	17.4
370.15228	3.7
371.15997	44.0
372.16406	1.6
385.14154	1.3
400.16357	2.8
402.18112	1.5
416.19995	1.6
422.20740	4.5
432.18854	1.4
434.20978	2.1
442.17712	3.6
448.18500	1.5
450.20154	2.8
460.18600	56.2
461.19305	4.7
462.20184	48.8
463.20801	5.3
464.21814	14.6
480.21356	2.3
492.21072	9.9
493.21756	1.2
494.22775	14.3
495.23438	2.2
543.25470	1.2
567.25818	3.6
585.27008	51.1
617.29047	3.0
617.38000	3.9
629.75537	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.01844	5.4
55.05508	50.6
57.07061	8.3
66.86671	2.5
67.05498	37.9
69.03422	16.1
69.07060	24.6
70.14915	4.4
70.15306	5.2
71.04971	4.8
74.90779	2.6
79.05481	42.1
81.06586	3.9
81.07051	52.1
83.04975	19.7
83.08612	66.6
85.02930	2.5
85.06537	9.4
87.04430	5.5
91.05472	57.2
93.07034	74.4
95.04955	30.8
95.08586	39.0
97.06527	27.1
99.04446	6.4
104.10748	7.6
105.07023	100.0
107.04932	8.3
107.07858	4.9
107.08580	76.4
109.06499	15.9
109.10136	29.9
111.08086	5.7
112.49034	2.7
113.06046	2.9
113.09618	8.6
113.69801	2.6
115.05399	5.3
116.06230	5.2
117.06996	22.7
119.08569	81.2
121.06493	14.8
121.10123	57.5
121.11013	2.9
122.10500	2.6
123.08062	23.3
123.11688	9.1
125.09595	24.3
128.06207	13.4
129.06992	20.8
130.07762	8.5
131.08554	46.1
132.09352	6.3
133.06432	3.2
133.10118	50.3
135.08052	16.2
135.11699	12.1
137.06018	4.1
137.09595	6.1
139.11176	14.0
141.06961	10.9
142.07782	30.4
143.08539	51.6
143.09636	1.7
144.09329	12.4
145.06477	10.6
145.10106	72.1
147.08017	13.6
147.11699	23.3
149.09576	14.6
149.13231	3.3
151.07465	4.2
153.06996	5.8
155.08560	19.1
155.10608	17.2
156.09334	22.0
157.10112	63.6
158.10872	8.8
159.08046	15.6
159.11674	41.0
160.08829	12.0
161.09569	13.2
161.13223	6.8
163.11156	7.7
165.06990	7.3
165.09145	3.5
165.12766	3.4
166.07777	2.8
167.08594	13.8
167.10698	23.2
168.09314	9.3
169.10129	32.6
170.10860	9.5
171.08022	4.7
171.10231	4.5
171.11636	37.4
172.12444	4.7
173.09532	16.7
173.13254	18.4
175.11200	15.0
175.14790	3.6
179.08545	13.5
179.10745	3.3
179.14311	7.4
180.09328	8.2
181.10188	21.4
181.12189	28.7
182.10909	15.4
182.12326	3.0
183.11668	32.3
184.12376	6.9
185.09607	3.2
185.13217	19.2
186.13962	6.4
187.11177	6.0
187.14813	9.9
189.12756	6.6
190.13553	4.3
191.14288	11.4
192.09410	6.0
193.10107	14.4
194.10835	11.7
195.11665	26.4
196.12389	9.0
197.13226	40.7
198.14018	7.3
199.11182	7.2
199.14754	18.8
201.12772	5.2
201.16333	3.8
203.14211	5.5
205.10152	5.4
206.10881	6.1
207.11684	19.0
207.13612	6.0
208.12462	12.4
208.14441	4.6
209.09442	2.6
209.13255	27.2
209.15114	4.5
210.13847	4.5
211.11195	5.2
211.14780	20.8
212.15503	4.9
213.12724	5.8
213.16187	6.0
215.14276	22.5
217.15752	4.6
218.10876	2.8
218.16707	4.2
219.11638	10.3
220.12411	8.0
221.13219	17.4
221.15381	23.9
222.13969	5.0
223.14807	15.9
225.12701	6.8
225.14783	12.7
225.16522	6.8
227.14307	9.1
231.11597	3.3
231.17331	3.5
232.12505	4.6
233.13141	8.8
233.15294	50.5
234.13892	4.6
234.16005	3.9
235.14832	10.1
237.12712	4.4
237.16539	13.4
239.14429	8.3
239.18063	3.5
241.15857	4.1
243.11638	3.6
246.13913	7.5
246.16266	3.9
247.14645	7.4
247.16914	7.2
248.15610	3.0
249.16367	10.8
251.17897	6.4
253.15895	5.2
255.17416	36.1
257.18964	4.5
259.14694	6.3
260.15555	3.6
261.16403	9.2
263.17999	8.0
265.19629	4.9
268.18161	6.6
269.18890	4.0
270.19751	8.4
271.20596	4.5
273.18408	10.2
275.17822	5.9
277.19479	3.7
281.19016	7.2
282.19656	4.8
283.01929	12.5
283.20413	3.3
285.18576	3.5
286.19391	5.7
289.19476	6.6
294.19830	3.9
295.20599	5.2
299.20102	6.0
300.20889	3.1
301.19418	4.0
331.23788	4.3
337.24921	6.1
345.21927	3.1
347.23575	3.5
349.25208	5.5
365.24713	11.0
367.26315	6.1
383.25464	12.4
457.31128	6.4
490.34586	2.7
517.97235	3.1
566.27148	3.1
582.40417	4.8
600.40979	6.5
618.42340	12.1
619.37793	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	619.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	36.3
57.07055	9.6
63.27176	3.4
67.05484	6.2
69.07066	46.1
69.19498	43.1
71.08630	4.0
73.86045	3.3
79.05456	6.6
81.03410	3.9
81.07048	20.7
83.08607	40.0
87.04440	4.8
91.05451	22.4
94.07858	3.9
95.04965	6.4
95.08582	12.1
98.20779	5.8
98.98428	3.6
103.34300	3.2
105.07027	18.3
107.08575	4.5
109.06431	4.0
109.10137	6.0
117.06979	5.2
119.04919	6.8
120.75285	3.3
121.06481	56.6
123.08051	8.8
131.08577	5.9
133.06451	12.4
135.08028	14.6
136.67064	3.5
137.05952	46.7
137.13217	5.9
143.08545	5.3
145.06477	12.6
147.08078	3.6
147.72305	4.1
149.05968	100.0
149.09615	5.7
151.07529	96.6
159.08046	10.1
159.99855	3.2
163.07515	23.0
165.09119	31.7
167.06953	7.0
173.09535	3.8
175.07536	15.5
177.05472	54.0
177.09096	34.1
187.07521	4.5
188.08275	9.0
189.09079	18.9
191.07010	33.5
191.10660	40.1
195.06493	5.8
201.09088	10.1
203.07056	7.1
203.10628	26.0
205.08582	12.9
205.12283	12.9
215.10635	35.3
217.08582	4.4
217.12216	21.1
219.13750	13.5
231.13730	14.9
233.15402	10.1
243.13895	4.9
245.11710	8.4
245.15404	10.0
259.13272	4.4
273.18784	3.7
285.18515	11.5
287.19998	18.6
339.12711	4.1
381.17010	5.6
392.25040	3.7
435.25214	9.6
447.78757	4.3
463.24814	17.8
481.25632	4.9
496.99606	4.3
523.44086	3.8
619.39880	38.7
624.28833	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	620.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92580	2.0
53.03932	7.9
55.01862	15.2
55.05508	13.0
57.03421	7.2
58.76959	1.9
61.02915	2.6
62.31554	2.1
65.03924	2.6
65.61639	2.2
67.05495	55.9
67.40868	1.9
69.03081	3.0
69.03421	36.7
69.07044	8.7
71.04992	11.0
71.53017	2.6
73.02896	9.8
79.05482	30.4
81.03403	39.5
81.07051	52.0
83.04956	2.5
83.08617	4.1
85.02895	17.6
85.06554	3.7
91.05466	17.7
93.07030	37.3
95.04960	6.0
95.08595	42.5
97.02303	2.4
97.02878	33.6
97.06479	4.0
97.10165	2.0
99.04446	60.6
101.02396	2.8
104.11356	2.1
105.07014	15.5
107.08606	23.7
109.02867	34.7
109.10117	20.4
111.04409	9.8
117.06993	6.5
119.08584	13.2
121.10139	16.9
123.08101	2.9
123.11687	8.8
127.03904	100.0
131.08578	11.0
133.10121	10.1
135.11697	15.1
135.83223	2.3
137.13237	3.6
145.04941	15.0
145.10094	10.9
147.11682	7.8
149.09625	2.4
149.13231	9.6
151.07506	2.6
159.11667	8.6
161.13264	7.6
163.14844	3.7
173.13258	6.0
174.10425	2.2
175.14798	2.6
187.14836	3.4
243.21138	4.7
253.50784	2.9
259.20514	8.4
261.22049	22.5
277.21616	8.7
279.23193	3.8
302.24792	3.9
320.25772	2.8
357.24081	4.0
369.24222	8.0
387.25150	4.6
394.29333	18.5
405.26260	9.5
423.27417	39.6
465.65997	2.1
533.21295	2.5
618.28961	2.6
620.22522	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	621.27
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.88072	0.3
62.48798	0.4
70.09005	1.9
73.98024	0.4
79.05507	0.4
85.26176	0.4
93.41796	0.4
98.21513	0.5
110.25860	0.4
166.62047	0.5
188.44806	0.5
322.70050	0.4
373.14719	0.6
374.15295	0.4
376.17102	0.7
383.17361	0.4
387.15994	0.8
388.17010	1.1
389.17587	3.3
390.18521	1.5
391.19247	0.9
401.17944	1.1
402.18604	1.9
403.19345	2.9
404.19882	3.0
405.20938	1.8
415.19754	0.8
416.15631	0.7
416.20438	0.8
417.16962	2.3
417.20972	2.2
418.21887	1.0
419.22345	4.4
429.21039	0.7
430.22009	0.6
431.18613	3.0
431.22803	2.0
432.19498	1.2
433.20132	1.3
445.20618	3.7
446.20996	3.1
447.21875	6.4
459.17239	3.7
460.18735	1.3
461.19513	2.5
473.19800	2.1
474.20322	8.7
475.21259	14.3
476.21359	0.5
487.21432	5.0
488.22083	1.5
501.23007	3.3
502.23608	0.5
505.25815	1.7
518.23285	0.8
519.20197	0.9
529.22375	1.0
532.24969	0.7
533.25525	8.5
546.22534	0.8
561.24896	34.4
562.25439	1.1
589.24634	1.6
593.27911	0.7
621.27020	100.0
622.27435	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	621.2692
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.26436	0.3
70.65856	1.0
88.37460	0.3
90.57365	0.3
149.98337	0.3
150.53236	0.4
185.92757	0.3
198.55434	0.3
216.90419	0.4
229.22757	0.3
267.98737	0.3
291.84793	0.4
347.14746	0.3
364.35019	0.3
373.14621	0.5
375.16074	0.8
376.17673	0.4
387.16489	0.4
388.16968	1.1
389.17563	2.3
390.18506	1.2
391.19308	0.5
401.17783	1.1
402.18851	0.9
403.14835	0.5
403.19443	3.2
404.20126	1.6
405.20703	2.1
413.17578	0.4
415.19659	0.7
416.16119	1.0
416.20950	0.6
417.16315	3.0
417.21109	1.5
418.17239	0.7
418.22064	0.6
419.22363	6.4
419.27716	0.4
420.22855	0.7
425.03693	0.4
430.17865	1.1
431.18112	5.7
432.18890	2.0
433.20212	2.5
444.19693	0.6
445.20038	6.0
446.20932	8.1
447.21774	11.0
448.22205	0.5
459.22562	2.9
460.18408	0.7
461.19858	1.3
463.21243	0.5
473.19122	1.0
473.24176	1.2
474.20364	7.6
475.21170	8.3
476.21921	0.8
477.22037	0.4
487.21310	4.1
488.21948	1.0
491.21045	1.3
501.23041	2.2
502.23083	0.5
505.25650	1.4
518.22961	0.8
519.20770	1.3
520.25464	0.6
529.22052	0.7
533.25531	17.1
534.22064	0.5
546.22668	0.7
561.24927	24.5
562.25421	1.6
589.24225	1.3
593.27338	4.0
606.24744	0.4
621.27008	100.0
622.27429	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	621.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80334	0.3
59.90827	0.3
62.53195	0.3
70.42208	0.3
70.77985	1.0
72.15581	0.3
94.43216	0.4
122.66029	0.4
126.21468	0.3
131.63039	0.4
136.58739	0.4
139.16347	0.4
170.08153	0.4
209.10657	0.5
223.12279	0.4
273.18243	0.4
300.14822	0.5
324.14883	0.5
338.12500	0.4
373.14233	0.5
374.15698	0.6
375.15958	1.6
376.17413	0.6
387.15997	1.3
388.16638	2.0
389.13239	0.4
389.17627	4.0
390.18228	1.5
391.19125	0.5
399.52292	0.4
400.17618	0.5
401.17816	1.8
402.14090	0.8
402.18463	1.6
403.19308	6.9
404.20004	4.6
405.20749	2.7
413.18021	0.6
415.19269	1.0
416.16132	1.7
416.20151	1.3
417.16150	5.7
417.21100	2.5
418.16919	0.8
418.21411	1.5
419.22275	12.5
420.23288	0.7
429.21057	0.7
430.17029	2.0
431.18103	9.6
431.23468	0.5
432.19043	3.5
433.20135	2.6
443.18619	1.3
444.19370	0.9
445.20166	9.4
446.20831	7.5
447.21780	16.9
448.22247	0.5
457.20273	0.7
458.21219	0.5
459.17432	2.0
459.21939	3.1
460.18140	1.2
460.23056	1.2
461.19806	1.3
471.18161	0.5
473.19550	2.4
473.23853	1.4
474.13501	0.6
474.14886	0.4
474.20328	17.4
475.21231	24.2
476.22101	0.8
487.21277	6.6
488.21954	2.7
489.22833	0.7
490.23676	0.4
491.20801	1.4
501.22760	4.2
502.23624	1.0
503.20450	0.9
505.26566	2.6
517.22723	0.7
518.23407	1.0
519.23682	0.4
529.22235	1.3
533.25458	15.7
534.25848	0.5
546.22516	1.2
561.24890	100.0
562.25275	4.1
589.24475	2.5
593.27472	5.0
621.26978	93.6
622.27356	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	621.2697
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
67.05441	0.1
70.69012	0.1
71.52253	0.1
71.52733	0.2
79.05407	0.2
81.06971	0.2
91.05390	0.2
93.06942	0.2
95.08554	0.1
135.53316	0.1
172.36081	0.2
172.49200	0.1
195.09061	0.1
197.10641	0.1
207.09070	0.3
209.10616	0.3
221.10706	0.2
223.12207	0.3
235.12267	0.2
237.10001	0.2
246.11391	0.2
247.12149	0.2
251.11800	0.1
274.13797	0.2
286.13379	0.2
298.13251	0.2
309.12390	0.1
310.13266	0.3
311.13992	0.2
312.11346	0.1
312.14728	0.3
322.13373	0.2
323.14001	0.2
328.14429	0.2
338.16437	0.2
362.16266	0.2
363.15839	0.2
372.14807	0.1
373.14642	0.4
374.15384	0.5
375.16049	0.7
376.17490	0.4
377.17905	0.2
386.16364	0.2
387.16028	0.6
388.16827	0.9
389.17545	2.7
390.18347	1.2
391.19189	0.8
400.17047	0.1
401.13278	0.3
401.18085	0.8
402.14413	0.4
402.18961	1.2
403.19427	4.1
404.20074	2.2
405.15869	0.2
405.20752	2.6
406.21161	0.2
415.15204	0.5
415.19220	0.7
416.15445	1.2
416.20517	0.5
417.16904	3.4
417.20993	2.2
418.17691	0.9
418.21851	0.6
419.22369	7.1
420.22928	0.5
429.16956	0.5
429.21515	0.3
430.16971	1.1
430.22208	0.4
431.18121	7.3
432.18893	2.3
433.20032	2.5
441.16974	0.2
442.17938	0.2
443.18634	0.9
444.19788	0.6
445.20062	6.5
446.20901	6.3
447.21716	8.6
448.22635	0.5
457.20160	0.4
458.20850	0.4
459.17078	0.7
459.21680	2.5
460.18622	0.7
460.23560	0.3
461.19534	1.4
463.21225	0.4
471.18143	0.2
472.18878	0.2
473.19250	1.1
473.23782	0.9
474.20248	5.5
475.21210	7.7
476.21704	0.2
477.23361	0.3
478.23663	0.2
486.20737	0.3
487.21341	3.0
488.22348	0.6
490.23135	0.2
491.19696	1.0
491.25928	0.2
492.24976	0.3
501.23160	1.3
503.20798	0.3
504.21350	0.2
505.25659	1.4
506.22781	0.3
517.22516	0.3
518.23297	0.7
519.20709	0.8
529.21979	0.8
531.23462	0.2
533.25433	14.3
534.25958	0.2
546.22711	0.5
561.24884	19.9
562.25360	0.7
565.28375	0.4
589.24347	1.0
593.27521	3.5
606.25110	0.2
621.26965	100.0
622.27325	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	621.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	1.2
53.03938	6.5
55.01868	7.4
55.05502	20.8
57.03431	6.4
59.04980	1.3
65.03922	2.3
67.05493	24.3
67.38702	0.9
69.03412	12.0
69.07057	7.3
70.19885	3.8
71.04974	5.5
79.05479	27.2
81.03407	100.0
81.07042	28.5
83.01321	0.9
83.04974	14.4
83.08609	19.9
85.02892	20.9
85.06524	1.4
87.04498	1.1
91.05466	37.7
93.07030	23.7
95.04954	37.4
95.08591	13.0
96.95938	0.9
97.02876	15.6
97.06536	5.5
97.10159	7.9
98.20887	1.0
99.04443	4.6
99.08108	1.4
103.03928	1.2
103.05443	1.7
105.07014	24.4
107.04951	12.1
107.08582	10.4
109.02866	22.3
109.06514	6.6
109.10121	5.5
111.04428	8.5
111.08058	9.6
113.06001	2.0
115.05423	4.3
117.07027	7.2
119.04108	0.8
119.04945	4.0
119.08571	20.1
121.06492	7.6
121.10126	11.4
123.04386	5.4
123.08052	3.8
123.11704	1.9
125.02331	4.8
125.09630	4.0
127.03905	7.5
128.06190	2.3
129.05527	1.2
129.06990	14.9
131.04935	2.7
131.08542	13.0
133.06471	5.4
133.10112	10.6
135.04375	1.3
135.08051	4.1
135.11670	4.5
137.05960	2.5
137.09605	1.8
141.06970	2.1
142.07751	2.5
143.08554	3.6
145.06528	4.5
145.10085	7.0
147.04413	3.5
147.08023	5.8
147.11671	15.3
149.05969	3.2
149.09660	6.3
151.11205	2.0
153.07013	1.1
153.12737	1.9
155.08562	2.5
157.06516	2.6
157.10127	11.4
159.08034	2.6
159.11632	1.6
161.05977	3.2
161.09570	2.1
163.11150	6.0
165.09178	1.1
165.12738	4.2
171.07964	1.6
171.11665	2.3
173.04439	3.6
173.05905	2.0
173.09613	2.4
175.03891	1.1
175.07593	1.4
175.11169	12.6
177.05479	3.4
177.12711	2.1
181.10168	1.1
181.12204	2.4
185.09595	1.0
185.13324	1.3
187.07553	1.5
187.11195	1.9
189.05492	1.8
189.11243	2.9
189.12859	1.3
191.10709	3.1
193.12212	37.0
195.11732	1.3
203.06955	1.2
203.10654	1.3
205.12212	3.1
211.13257	43.4
213.12851	1.5
223.13290	1.0
227.12572	4.6
229.14381	1.2
231.13652	1.4
235.13278	2.8
245.15501	1.4
247.13338	1.6
249.14888	2.8
255.13823	2.2
259.13345	2.3
265.14310	1.5
267.15903	10.4
271.13428	1.3
273.14871	7.2
277.14456	1.9
283.13086	1.9
285.17114	5.8
289.14307	2.7
291.15921	1.8
301.14243	11.5
303.15823	1.4
313.16693	1.2
319.15335	5.4
337.16449	4.5
337.77725	1.0
355.17535	4.3
357.17117	1.2
363.17917	1.2
367.22824	1.7
375.17957	4.5
385.23758	2.9
393.19083	3.6
411.20172	3.4
459.27484	4.9
477.28479	5.1
493.26291	1.0
495.29187	5.7
519.28906	1.5
543.29883	1.8
567.29620	2.5
573.30499	2.1
585.30542	8.4
603.31647	8.7
621.32605	56.5
622.32776	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	621.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94145	1.1
53.03941	8.4
55.01875	7.4
55.05503	17.5
57.03430	8.1
59.04979	1.4
61.17435	1.2
65.03937	3.6
67.05500	37.4
67.23048	1.2
68.58744	1.1
69.03410	15.1
69.07063	13.0
69.45238	8.9
70.72202	1.2
71.04984	7.3
72.35544	1.1
79.05487	30.9
79.84543	1.5
81.03410	100.0
81.07050	39.8
81.07520	2.4
83.04977	16.2
83.08617	21.0
85.02896	21.7
85.06552	5.5
91.05473	44.0
92.23516	1.3
93.07040	24.2
95.04958	34.1
95.08601	18.9
97.02886	16.0
97.06532	6.6
97.10149	8.7
99.04454	5.0
99.08072	1.9
99.55703	1.1
103.26814	1.2
105.07027	30.7
105.07684	2.2
107.04955	14.5
107.08588	17.1
109.02866	21.6
109.06492	7.8
109.10159	8.2
111.02449	1.2
111.04437	12.6
111.08070	9.5
113.06033	2.2
115.05452	3.2
116.06284	1.6
117.07007	9.2
119.04987	4.0
119.08568	21.5
121.02861	3.0
121.06487	9.1
121.10140	13.6
123.04457	5.7
123.08107	5.7
123.11731	5.5
125.02377	3.7
125.05979	1.6
125.09646	5.4
125.71751	1.4
127.03898	9.8
127.07494	1.5
128.06242	2.8
129.06985	14.1
131.04948	3.3
131.08560	16.7
133.06528	4.8
133.10098	13.9
135.04428	1.8
135.08102	4.2
135.11705	7.5
137.05969	7.1
137.09599	2.8
137.13274	1.5
139.03893	2.4
139.11203	1.5
141.06941	1.4
142.07777	3.0
143.08553	3.8
145.02826	1.5
145.06519	4.9
145.10101	7.2
147.04433	6.5
147.08102	4.5
147.11691	20.4
147.12773	1.7
149.05974	4.2
149.09637	7.2
149.13295	4.5
151.03914	2.2
151.07555	2.2
151.11185	2.4
153.05435	1.6
153.12820	1.9
155.08586	3.1
157.06526	2.8
157.10124	12.6
159.08092	3.0
159.11717	4.1
161.06003	3.8
161.09662	3.4
161.13248	2.7
163.11195	7.2
165.09108	1.7
165.12764	3.0
167.07079	2.9
169.10191	2.2
171.08138	3.0
171.11728	3.4
173.04530	3.2
173.05983	2.7
173.09669	3.1
175.03976	1.8
175.07613	1.8
175.11153	12.3
177.05501	4.6
177.12746	1.6
181.10266	1.2
181.12268	4.2
183.11798	1.4
185.09584	1.8
185.13217	1.4
187.07516	1.4
187.11252	1.8
189.05511	3.3
189.09288	1.9
189.11101	1.5
191.10686	4.1
193.12221	35.9
195.11710	1.6
197.09639	1.8
197.13174	1.3
199.07574	1.3
199.11133	2.0
203.10670	1.3
205.12230	2.9
207.06551	1.7
209.13400	1.3
209.15356	2.2
211.11368	1.6
211.13246	34.5
215.14372	1.7
227.12851	4.7
235.13388	2.1
237.12813	1.7
249.14893	4.0
255.13852	2.5
259.13211	1.8
265.14441	1.4
267.15884	11.5
273.14807	10.8
277.14331	2.3
283.15799	1.8
285.17035	5.5
289.14526	1.8
291.15796	1.8
301.14252	9.7
301.21780	1.5
303.15924	1.3
305.24725	1.5
319.15396	6.6
321.16931	1.6
337.16525	5.3
355.17599	2.0
375.18073	2.0
385.19315	1.2
385.23837	4.0
393.19165	3.2
403.24722	2.0
411.20102	4.2
459.27567	5.4
477.28424	5.6
495.29602	3.8
585.30994	6.1
603.31812	9.9
621.32782	53.6
627.34717	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.9
57.03409	0.8
61.58070	0.6
67.05485	3.9
69.07051	2.8
71.52737	0.7
71.53123	1.1
77.00121	0.6
79.05489	2.7
81.03409	0.7
81.07053	4.6
83.04980	0.7
89.20879	0.7
91.05455	3.3
93.07041	2.7
95.08614	3.6
97.06522	1.8
105.07043	3.9
107.04916	0.9
107.08589	2.4
109.10146	1.2
117.07033	1.9
118.06529	0.7
119.08572	2.0
120.77489	0.6
121.06521	0.6
121.10135	1.1
129.06969	1.2
131.08580	2.3
133.06471	0.6
133.10083	2.3
141.06970	0.7
143.08560	1.1
145.10159	1.5
147.11731	1.3
155.08571	1.2
159.11690	1.3
163.11137	1.2
164.18446	0.7
169.10109	0.8
171.11789	0.9
173.13255	1.1
183.11693	1.3
185.13248	0.6
197.13269	0.7
216.88625	0.6
249.94887	0.6
257.19199	1.1
275.20197	2.5
301.28610	0.6
375.16678	0.7
376.17505	1.0
377.17889	1.2
386.15399	1.1
387.16415	1.0
388.17245	0.7
389.17856	0.7
391.19305	3.3
392.20297	1.2
393.20731	1.1
399.16211	1.5
400.17041	1.2
401.17813	3.0
403.19339	1.2
405.21027	1.5
407.22452	3.9
413.17603	2.5
414.18506	1.2
415.19473	3.4
416.20255	1.1
419.18555	1.9
419.23270	0.8
420.19363	0.7
421.20401	1.0
425.17676	0.9
427.19458	0.8
428.20236	2.2
429.16479	1.2
429.21350	0.9
431.18683	0.9
433.20703	1.4
434.21136	1.0
435.21689	2.1
443.18027	0.9
443.22864	1.6
444.19348	1.5
445.20328	1.4
446.21317	0.8
447.17529	4.0
448.18951	1.9
449.19382	0.9
456.19424	0.9
457.15707	0.8
458.21054	1.6
459.17923	2.1
460.18378	1.5
461.19666	2.9
462.20416	2.1
463.20923	1.9
469.16101	1.2
471.22781	3.8
473.19867	2.3
474.20544	3.1
475.16534	1.2
475.21954	2.0
476.17380	0.8
484.18927	1.0
485.19827	2.6
486.20596	2.9
489.22754	5.2
490.19397	4.4
491.20581	3.4
492.21783	1.0
499.21368	10.6
500.21851	0.8
501.23431	4.6
503.20715	3.6
507.23553	2.0
511.21378	0.8
513.19189	3.1
513.37634	0.8
514.19830	1.8
517.22333	15.5
518.22198	1.3
527.20715	1.3
529.22314	6.7
531.20184	2.7
535.23663	3.4
536.23627	0.8
545.21820	23.0
546.22534	1.1
555.19824	0.9
563.22687	1.9
564.23669	2.0
573.21252	6.9
577.24634	4.0
591.22418	4.1
595.24939	0.9
605.23901	42.8
606.24475	3.4
623.24957	100.0
623.42566	6.8
624.25378	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	623.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95119	0.9
53.03934	1.4
55.01867	1.4
55.05510	8.3
57.03416	1.0
65.03935	1.3
65.53861	0.9
67.05501	13.5
68.24606	0.9
69.07049	5.4
71.04993	1.2
71.13458	1.6
71.13789	1.2
79.05485	11.2
81.03416	7.5
81.07047	11.4
83.04975	2.3
83.08615	4.3
91.05468	10.2
93.07032	8.2
95.04958	2.6
95.08591	7.7
97.06517	1.1
97.10163	3.6
105.07023	7.7
107.05009	1.4
107.08599	6.7
109.06524	1.0
109.10149	3.7
115.05479	2.1
117.07018	6.0
119.08585	6.3
121.10123	2.6
123.08000	1.2
123.61324	1.0
125.09641	4.1
128.06250	1.3
129.06956	4.3
131.08568	4.5
133.06447	1.1
133.10129	4.9
135.08040	1.4
135.11665	2.0
141.07014	1.3
142.07729	1.0
143.08551	3.7
143.46484	0.9
145.06525	2.1
145.10095	4.6
147.11673	2.3
155.08563	3.8
157.10112	4.7
159.08028	1.3
159.11656	2.4
161.05977	2.0
161.09579	1.2
163.11174	0.9
167.08580	2.6
169.10176	4.3
171.11714	2.6
173.09625	1.0
173.13287	2.3
179.08540	1.2
181.10115	2.4
183.11703	2.1
185.13287	1.4
187.11104	1.0
189.11249	2.7
195.11713	2.9
197.13278	2.7
199.14851	1.3
203.10487	0.8
209.13214	1.9
211.14824	2.4
221.10820	0.9
227.12761	2.8
237.16342	1.0
241.16077	1.2
241.19432	1.1
249.10254	0.9
253.15677	1.0
259.20541	1.3
271.13235	1.2
271.16830	1.4
273.18448	0.9
275.19943	0.9
291.19537	3.1
360.29700	1.0
376.17139	1.1
377.17743	3.3
378.18497	2.2
379.30005	2.2
385.14746	1.4
387.16153	1.5
389.18207	1.5
390.18707	1.2
391.14819	1.1
391.19336	4.4
392.19925	2.1
393.20789	2.7
399.16061	1.8
400.16769	2.3
401.17526	5.7
404.20502	1.4
405.16528	1.9
405.20822	2.9
407.22412	5.3
413.17502	2.6
414.18439	2.8
415.19412	6.7
416.20050	1.3
417.16220	1.2
417.21051	1.9
419.18390	3.0
419.23157	1.5
421.20020	2.9
427.19388	2.4
428.19989	3.7
429.16098	1.6
429.20764	3.5
430.21567	2.7
431.18625	3.1
433.15891	1.7
433.20667	1.7
435.21707	3.8
441.16592	1.4
443.22427	4.1
444.19016	4.2
445.20282	2.9
447.17395	4.6
448.19043	2.7
449.19675	2.0
456.19516	1.1
457.20364	1.8
458.20798	3.4
459.18060	2.4
461.19614	3.6
462.20343	2.7
463.20847	4.7
466.20154	1.0
471.22098	9.8
472.22894	2.6
473.19540	3.1
474.20370	1.5
475.16162	1.3
475.21320	3.8
476.18130	2.4
477.23242	2.0
485.19492	2.5
486.20609	5.1
488.18210	1.0
489.17767	1.2
489.22580	7.4
490.19321	4.4
491.20862	3.6
499.21231	20.5
500.18323	1.6
501.23697	4.8
502.19772	1.9
503.20825	5.6
507.23654	2.4
508.24646	1.6
511.21280	1.1
513.19171	2.6
513.37024	1.1
514.19940	1.6
517.22235	14.2
518.19171	1.5
525.35516	2.7
527.20837	3.3
529.22260	12.0
530.20288	1.1
531.20233	1.4
531.37939	2.1
535.23187	4.0
536.24115	1.2
545.21753	54.2
546.21991	1.7
547.27039	1.6
549.39771	1.4
550.25647	1.7
555.20111	2.6
563.22565	4.7
564.23859	1.8
573.21161	16.2
577.24579	1.2
591.23431	1.3
595.25769	1.7
605.23840	100.0
605.41376	4.0
606.23950	3.6
623.24921	90.9
623.42407	22.3
624.25214	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98074	0.4
54.34816	0.3
59.92464	0.4
63.57750	0.3
69.39118	0.8
69.39530	2.4
75.04685	0.4
75.47237	0.3
157.64317	0.3
158.79092	0.4
233.92337	0.3
238.14917	0.3
254.51469	0.3
273.99808	0.3
376.16855	0.8
389.18185	0.5
390.18683	0.8
391.19189	1.1
401.17477	0.4
404.15878	0.4
404.21054	0.6
405.20908	2.3
415.19189	1.0
416.20023	0.6
417.20901	0.8
418.18042	0.8
419.18454	1.3
419.23117	0.4
420.23215	0.9
421.24017	0.4
428.20508	0.5
429.21011	1.6
430.21695	0.7
433.19809	2.6
443.22589	0.8
444.23148	1.0
445.23996	1.0
446.17267	0.6
447.17761	5.8
448.22989	2.2
449.23495	2.5
452.22116	0.4
457.19885	0.4
458.25122	0.9
459.21143	1.9
460.22559	1.2
461.19202	5.2
462.20279	1.2
463.21622	0.9
472.22418	1.6
473.23264	1.1
475.21533	1.1
476.21994	15.7
477.22726	2.7
479.20874	1.0
485.24063	1.6
486.23953	0.5
487.24985	1.7
489.19473	1.0
503.24631	1.1
517.26233	1.0
519.23987	1.2
531.23981	2.1
532.24341	0.4
535.23438	0.4
545.25427	11.1
545.33563	0.7
546.25964	1.2
549.24902	0.7
563.26501	5.2
577.27515	0.4
591.26312	1.5
605.27350	2.1
623.28571	100.0
624.28882	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	623.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92862	0.6
69.19548	5.9
75.74561	0.6
125.05016	0.5
144.08046	0.7
164.49594	0.6
179.94623	0.7
209.10739	1.1
211.12071	0.6
221.10736	0.6
223.12123	1.0
233.10712	0.6
237.13812	1.1
250.27586	0.6
251.15361	0.7
310.13214	0.8
374.16476	1.2
375.16446	1.3
376.16876	2.3
377.17664	2.9
378.18399	2.5
385.14487	1.5
387.16702	0.8
388.17892	1.6
389.18106	2.9
390.18848	2.8
391.19144	7.0
392.19885	7.4
393.20584	3.3
399.15927	3.3
400.16806	3.0
401.17725	3.7
402.18976	1.7
403.19626	2.5
404.20242	3.2
405.20853	10.4
406.21426	9.7
407.22284	21.9
408.22379	1.8
411.16318	0.7
412.17719	1.8
413.17621	4.2
414.18307	6.2
415.19147	10.3
416.20291	2.1
417.21347	3.1
418.21817	1.3
419.23120	3.2
420.23193	3.7
421.23846	16.8
422.24603	3.5
426.19455	0.6
427.19376	4.9
428.20099	6.3
429.20822	22.4
430.21948	5.5
431.17831	1.7
431.22458	2.6
432.19281	2.0
433.19919	2.6
433.24219	2.9
434.24960	1.2
435.21234	0.8
441.21375	1.1
442.22159	3.1
443.22586	14.6
444.23828	6.0
445.19687	3.9
446.20834	1.9
447.18008	2.7
447.22491	1.1
449.22931	1.0
452.21848	0.7
455.18530	2.6
456.19244	2.5
457.19055	1.9
457.23758	6.1
458.24857	9.9
459.21869	9.1
460.23029	4.3
461.18918	8.0
462.20386	3.5
463.21213	2.2
470.21451	2.9
471.21652	3.3
472.17319	0.7
472.22794	9.3
473.19022	2.0
473.23370	2.7
474.20605	1.9
475.21185	9.2
476.21664	7.7
477.22601	5.2
483.17899	1.0
484.18677	1.1
485.23666	15.7
486.20596	2.1
486.24033	3.8
487.21216	2.2
488.22119	2.6
489.22797	4.7
490.23944	0.8
493.25815	0.9
498.20035	0.9
499.21259	4.9
500.22031	3.8
501.22693	1.1
502.23477	1.6
503.24368	9.8
504.24908	1.9
507.24307	0.9
508.28271	1.2
513.22864	4.5
514.23407	2.1
517.26208	8.8
521.25562	0.7
529.25653	1.4
531.24316	1.1
535.27130	5.4
536.27216	1.3
545.25415	96.8
546.25739	7.2
562.25360	0.7
563.25873	1.2
564.27209	1.6
573.24860	20.2
574.25116	2.3
591.26221	1.5
605.27515	100.0
606.27820	12.5
623.28577	91.1
624.28900	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	623.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06614	0.2
59.76332	0.2
68.64253	0.2
70.23405	0.4
70.23795	0.5
80.41706	0.2
151.92236	0.2
223.12263	0.3
225.14075	0.2
237.13902	0.3
238.14603	0.2
374.16727	0.2
377.17517	0.9
378.18466	0.3
388.17966	0.3
389.18546	0.3
390.18427	0.4
391.19150	1.3
392.19803	1.4
393.20731	0.9
399.15891	0.3
400.16895	0.3
401.18036	0.4
402.18527	0.5
403.19366	0.4
404.20508	0.6
405.20770	2.1
406.21524	2.2
407.22238	6.1
408.22681	0.2
413.17776	0.4
414.18292	0.6
415.19205	1.7
417.20990	0.5
418.21878	0.3
419.17981	0.5
419.22839	0.5
420.23199	0.8
421.23746	5.3
422.24634	1.6
427.19550	0.5
428.19977	0.7
429.20712	2.6
430.21930	0.5
431.22409	0.7
433.15546	0.3
433.24237	0.7
434.25009	0.5
435.25790	0.3
442.21628	0.4
443.22803	1.3
444.23465	1.1
445.20215	0.9
446.20969	0.4
447.18253	0.9
448.18384	0.3
449.22604	0.4
452.21725	0.3
457.19431	0.4
457.24121	0.6
458.24817	1.9
459.21967	1.9
460.22388	0.9
461.18909	2.2
462.20108	1.0
463.21234	0.6
470.21405	0.4
471.22488	0.4
472.22626	2.2
473.18765	0.4
473.23489	0.7
474.20172	0.3
475.21030	3.8
476.21426	3.3
477.22464	2.0
478.23587	0.4
484.18472	0.4
485.23715	3.8
486.20520	0.8
486.24179	0.7
487.20914	0.6
488.21808	1.0
489.22699	2.1
490.23904	0.3
493.25885	0.4
497.23361	0.2
499.21246	3.9
500.21881	1.0
501.23120	0.4
502.23978	0.3
503.24417	5.6
504.24490	1.2
505.22269	0.6
507.23965	0.7
508.28555	0.4
513.22784	1.3
514.23468	0.5
515.24542	1.0
517.25781	1.5
518.23395	0.3
521.25061	0.7
529.26019	0.6
531.23907	0.6
535.27167	4.0
536.27081	0.8
545.25397	21.1
546.25690	2.2
549.25153	0.4
559.23218	0.3
563.26471	1.9
564.27051	2.5
573.24921	5.7
574.25641	0.5
577.28070	1.6
591.25952	2.7
595.28784	0.3
605.27502	20.7
606.27649	1.8
623.28540	100.0
624.28839	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	623.2859
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
69.80598	3.9
69.81012	2.9
82.49494	1.3
98.20849	2.5
118.81548	1.3
144.57100	1.3
413.17728	1.4
415.19385	4.1
419.22794	2.0
429.20938	9.9
430.21677	2.3
431.17993	2.3
432.19727	1.6
433.24442	2.9
434.21082	1.9
443.22720	6.6
444.23096	4.6
445.24203	2.7
447.22079	4.1
449.23224	2.0
457.24277	2.1
458.24625	5.2
459.21884	5.8
460.22540	3.0
461.18787	2.1
461.23792	4.1
462.20682	4.3
472.22827	4.7
473.23499	3.9
476.22098	2.5
477.22916	7.7
485.23315	7.8
486.24152	2.3
487.25000	7.2
489.22849	1.9
503.24295	4.2
516.21661	1.8
517.25861	4.6
519.23792	1.5
531.24103	8.3
545.25464	70.3
546.25726	5.2
563.26459	33.1
564.27484	2.1
577.28540	2.1
591.26196	2.7
605.27606	26.3
623.28583	100.0
624.28992	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	623.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07000	0.5
86.67443	0.4
91.05391	0.5
95.08527	0.6
111.13776	0.4
119.08437	0.4
161.98198	0.4
185.10504	0.5
229.70264	0.4
234.27081	0.4
237.13622	0.4
252.34554	0.4
374.15857	0.5
388.17148	0.6
389.18323	0.6
390.14111	0.4
391.19513	0.6
400.17151	0.4
401.17841	0.8
403.18921	0.9
404.20370	0.8
405.20786	0.7
413.17621	1.3
414.18259	1.3
415.19290	2.2
416.19849	1.5
417.20990	0.8
419.18054	0.7
419.22818	0.6
427.19238	0.8
427.76297	0.4
428.20325	1.8
429.20862	6.5
430.21487	1.7
431.18399	1.1
433.23950	1.7
434.21036	1.0
442.21780	0.8
443.22507	5.1
444.23727	2.7
445.25031	2.2
447.17120	0.7
447.21722	1.7
449.23172	1.5
456.19360	1.1
457.19266	0.9
457.23825	2.0
458.24918	4.3
459.21423	4.6
460.22485	2.3
461.18829	1.4
461.23392	2.8
462.20325	1.9
463.21509	0.7
471.21710	1.8
472.22565	4.8
473.23911	3.0
474.19696	0.8
475.20856	2.1
476.21844	2.3
477.22809	3.1
485.16730	0.7
485.23303	6.4
486.24225	2.5
487.25272	4.4
488.22250	0.5
489.23129	1.8
490.23953	0.6
503.24377	2.7
504.25192	0.7
505.22226	0.8
513.22723	0.8
517.26263	4.5
519.23712	1.1
520.24628	0.5
521.22156	1.4
526.59851	0.4
530.22382	0.4
531.23889	4.8
535.26563	0.6
545.25397	52.3
546.26019	3.6
548.23572	0.5
563.26379	11.9
563.35223	0.6
564.26190	0.6
577.27814	1.0
586.99603	0.5
591.25604	0.5
605.27490	4.3
623.28510	100.0
624.28406	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63819	0.3
62.90589	0.3
66.49326	0.3
67.05507	0.4
70.32192	0.3
71.04506	0.5
71.04841	0.6
79.05471	0.4
81.07053	0.4
87.25972	0.3
88.00602	0.4
91.05450	0.4
96.94105	0.4
119.08514	0.3
150.92653	0.3
170.60265	0.3
223.12468	0.4
267.08832	0.3
278.44327	0.3
314.16550	0.4
323.14551	0.4
374.15659	0.4
375.15793	0.4
376.17252	0.4
380.87030	0.3
387.15924	0.5
389.17566	1.2
390.18454	0.6
391.19406	1.3
392.19894	0.7
400.16745	0.4
401.17853	0.9
402.18515	1.5
403.19531	2.4
404.20023	1.1
405.16406	0.3
405.20996	2.8
406.21375	1.0
407.22385	1.1
414.14368	0.4
415.19278	1.4
416.20056	0.7
417.16742	1.3
417.21594	2.7
418.17175	0.8
418.21973	0.7
419.17691	0.7
419.22806	4.3
420.23145	1.2
429.16547	0.8
429.21640	0.6
430.17062	1.9
430.22647	0.5
431.17984	3.7
432.19223	1.3
432.23935	0.8
433.20135	6.7
434.20767	0.9
435.21906	0.5
443.18698	1.6
444.18976	2.6
445.19843	5.7
446.21124	3.9
447.22028	4.4
448.22562	1.6
449.23001	0.6
457.19827	0.6
458.20819	6.0
459.21545	5.3
460.22855	3.8
461.19339	1.0
462.20502	0.8
463.21432	2.0
471.22076	0.6
472.22366	0.8
473.23285	1.4
475.21283	1.5
476.21686	1.1
477.22772	2.7
485.23257	0.8
486.24658	0.5
487.25262	0.5
490.23514	0.7
491.24042	0.8
503.23538	0.6
504.25433	0.5
505.22177	1.2
505.26404	0.6
507.27756	0.5
517.22351	1.1
518.23151	4.1
519.23792	0.7
521.22015	1.5
531.23743	0.7
532.24854	0.8
533.25525	6.8
534.25696	0.6
535.27686	1.7
545.25354	2.7
546.26270	1.2
549.25000	0.4
563.26385	7.4
564.26538	0.7
573.25165	0.6
591.25824	0.5
605.27539	9.6
623.28540	100.0
624.28870	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	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56768	0.5
53.29367	0.5
67.05515	1.1
69.50572	0.8
69.50974	3.5
79.05482	0.8
81.07050	0.5
83.08619	0.6
90.42072	0.5
91.05466	0.5
93.07037	0.6
95.08597	0.7
105.07000	0.6
121.10147	0.6
127.13274	0.4
150.49710	0.5
151.07596	0.6
192.88766	0.4
194.44553	0.5
205.95300	0.4
209.10658	0.7
210.97267	0.5
222.60014	0.4
233.64877	0.4
238.11075	0.5
249.10258	1.0
251.14862	0.4
271.16934	0.5
310.44092	0.4
377.17462	1.1
389.17722	1.2
390.14224	0.5
391.19168	1.4
393.20944	0.5
403.19266	1.0
404.20148	0.8
405.20972	2.6
406.21732	0.9
407.22482	1.1
416.20193	0.7
417.16647	1.0
417.21378	0.7
418.17361	0.7
419.17633	2.5
419.22748	1.6
420.18600	0.7
421.24084	3.2
429.17047	1.1
431.17935	1.0
431.22894	1.2
432.19431	1.5
433.19769	3.9
434.21152	1.7
435.21814	1.5
443.18896	0.7
444.19269	0.6
445.20184	2.6
446.21088	1.4
447.17175	1.0
447.22739	3.7
448.23071	1.1
449.23337	4.1
450.23898	1.4
458.21021	0.9
459.21921	1.7
460.22830	0.9
461.19705	2.5
462.20541	1.3
463.21136	1.4
475.20813	1.5
475.26178	0.7
476.21872	5.3
477.22888	4.8
489.23389	2.3
490.23892	1.0
491.21414	0.6
503.24316	1.4
505.22040	0.8
521.21820	1.1
533.25397	2.6
535.27734	3.7
545.25336	1.8
548.23718	0.5
563.26489	18.1
564.27094	1.7
591.25897	0.9
593.27661	0.6
595.28864	0.7
605.27283	2.3
606.27832	0.7
623.28577	100.0
624.28912	6.3
653.27631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07286	1.5
51.02376	1.9
53.03934	5.1
55.01865	5.8
55.05507	20.9
57.03426	8.3
57.05690	1.7
57.07063	2.0
61.02920	25.6
65.03943	3.6
67.05501	43.5
69.03419	13.0
69.07071	16.3
69.99274	4.7
69.99687	2.9
71.04981	5.5
73.02911	5.9
79.05488	38.1
81.03414	20.1
81.07050	39.8
83.04964	8.3
83.08604	12.3
85.02901	24.4
85.06538	3.1
91.03948	11.9
91.05470	47.8
92.48484	1.5
93.07035	38.6
95.04967	13.7
95.08598	27.1
97.02880	13.3
97.06525	6.8
97.10163	4.4
97.15224	1.5
98.21545	1.8
99.04456	3.0
99.08076	2.7
103.05486	4.0
105.07025	36.9
107.04938	8.2
107.08578	16.1
109.02888	3.9
109.06530	4.5
109.10164	11.7
111.04434	3.6
111.08086	4.0
113.05979	1.7
115.05461	4.8
117.07003	28.1
119.04952	3.2
119.08568	23.9
121.06482	7.7
121.10135	10.1
121.27938	1.7
123.08080	5.9
123.11706	1.9
125.09671	1.6
127.03912	7.8
128.06207	5.9
129.07001	32.6
131.04895	2.1
131.08559	41.6
133.06453	7.1
133.10127	15.8
135.08072	6.2
135.11690	6.5
137.05977	3.4
137.09589	1.9
141.06973	14.4
142.07797	2.5
143.08551	25.0
145.06508	5.7
145.10118	18.1
147.08037	9.2
147.11656	7.2
149.05959	1.5
149.09641	7.4
149.13281	3.0
151.07468	1.5
151.11212	2.2
153.07050	2.2
154.07698	2.1
155.08525	21.6
156.09081	1.8
157.06462	3.8
157.10110	18.7
159.08069	3.7
159.11681	12.0
161.09631	3.6
161.13196	1.9
163.11179	4.4
165.06970	3.0
165.12744	2.9
166.07808	1.7
167.07333	2.0
167.08546	11.6
168.09464	1.8
169.10124	17.5
171.08014	4.0
171.11641	7.0
173.09581	5.0
173.11890	1.8
173.13286	4.8
175.11079	6.9
177.12730	3.5
179.08565	4.4
181.10098	10.8
183.08134	1.9
183.11717	9.8
185.09625	4.5
185.13216	9.4
187.11226	3.4
187.14760	2.5
189.09152	2.1
189.12730	2.4
191.10649	1.7
193.10144	5.3
193.12257	6.4
195.11674	11.5
195.13469	1.5
197.09642	2.3
197.13293	5.8
199.11137	2.9
199.14868	6.0
201.09195	1.6
201.12708	2.1
201.16431	1.4
203.10707	2.1
203.14371	3.1
205.12196	1.9
207.11691	6.5
209.13281	6.7
211.11273	2.7
211.13264	4.7
211.14896	3.9
213.12720	4.0
213.16467	2.0
214.17897	1.9
215.14250	7.6
219.11736	2.0
221.13234	6.6
221.15204	1.8
223.14818	6.4
225.12779	1.7
225.16463	3.2
231.13786	2.7
233.13248	2.4
235.14833	5.0
239.14322	5.8
241.15889	4.0
245.15440	1.8
251.14224	1.8
253.15814	3.2
257.15463	5.9
259.17087	2.0
271.17032	4.2
275.16257	2.3
289.18121	1.5
305.22446	2.4
315.20895	1.6
323.23648	4.6
333.22083	14.5
341.24631	8.7
351.23169	40.8
369.19943	2.8
369.24243	32.4
387.25281	17.3
407.25803	2.5
415.28665	1.7
425.26892	6.6
433.29285	2.7
443.27893	100.0
444.28116	4.0
461.28949	58.4
462.29279	3.5
479.30133	1.5
485.28986	2.6
495.28702	1.7
587.32043	2.2
605.33234	2.6
623.34070	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.3
52.96340	1.5
53.03942	10.4
55.01867	7.8
55.05505	31.2
57.03430	10.8
57.07059	2.2
61.02907	3.2
65.03937	5.8
67.05497	59.4
69.03420	22.4
69.07060	15.7
69.65152	9.3
71.04990	8.2
73.02909	1.9
79.05482	50.0
81.03410	100.0
81.07047	69.7
82.03770	1.2
82.41307	1.3
83.04977	24.7
83.08611	23.7
85.02899	24.3
85.06528	4.8
91.05470	53.6
93.07034	48.5
93.07629	2.7
95.04958	31.3
95.08590	22.8
97.02884	18.4
97.06506	9.6
97.10153	6.7
98.20822	1.5
99.04437	4.6
99.08090	2.4
101.06056	1.3
103.05432	1.8
105.04513	1.9
105.07021	29.9
107.04932	11.9
107.08575	26.0
107.92289	1.1
109.02869	19.8
109.06504	8.1
109.10145	7.5
111.04427	12.8
111.08082	13.1
113.05982	1.8
115.05412	3.2
117.07005	11.3
119.04958	3.0
119.08575	21.0
121.06490	7.6
121.10132	16.5
123.04424	3.4
123.08077	4.7
123.11709	5.2
125.09631	4.4
127.03899	10.5
128.06235	1.7
129.05502	2.7
129.07010	10.6
131.04910	3.5
131.08562	17.7
133.06462	6.7
133.10121	16.4
135.04439	1.5
135.08072	2.8
135.11693	9.8
137.05994	3.0
137.09601	2.5
141.06987	2.0
143.08577	3.9
145.06502	4.6
145.10077	6.1
147.04378	2.6
147.08060	4.3
147.11658	18.6
149.09612	5.3
149.13234	12.2
151.07489	1.9
151.11201	2.3
153.09091	2.0
153.12714	2.1
155.08588	3.5
157.06462	2.2
157.10094	13.2
159.08049	3.0
159.11713	9.1
161.06018	2.1
161.13246	1.7
163.11183	2.4
165.05481	1.8
165.12762	5.3
169.10085	2.0
171.11682	3.0
173.04527	1.8
173.09654	3.7
175.11156	11.7
177.12784	6.0
181.12279	3.0
183.11594	1.5
185.13339	1.6
189.11221	3.5
189.12781	2.0
191.10719	2.8
193.12234	36.0
195.12070	2.3
195.13768	12.3
201.12744	1.5
211.13258	52.4
213.12898	1.6
213.14827	2.5
219.13795	1.7
227.12811	5.3
231.13777	1.6
235.13318	1.5
249.14835	3.2
257.15317	1.6
259.13235	1.3
261.14798	2.1
267.15894	11.3
269.17477	11.9
273.14771	1.4
277.14371	1.3
279.15936	1.4
283.15805	1.5
285.17145	8.4
287.16370	1.8
293.17825	1.4
297.17218	1.4
301.14255	3.8
303.15952	2.7
309.16943	1.7
313.16684	1.4
319.15314	1.5
321.17035	3.8
337.16409	2.5
339.18057	7.6
355.17618	3.7
369.24222	3.0
377.19684	2.2
387.25278	1.5
393.18973	1.8
395.20575	9.1
411.20328	3.9
435.27249	1.7
443.28043	5.9
461.29022	19.1
479.30161	14.2
503.30145	3.1
545.31476	1.9
569.30585	1.8
587.31946	3.2
605.33173	7.9
623.34186	72.0
624.34607	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	623.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.7
55.01870	8.9
55.05510	31.1
57.03417	11.5
58.13231	4.0
65.03909	4.3
67.05501	56.5
69.03425	22.7
69.07066	22.5
69.07384	4.2
71.04980	10.4
71.53542	5.2
76.15408	4.1
79.05485	50.2
81.03412	100.0
81.07050	76.1
83.04968	24.5
83.08607	26.0
85.02921	19.7
85.06522	7.2
91.05474	42.6
93.07037	58.9
95.04958	28.9
95.08588	27.6
97.02882	17.8
97.06504	15.0
97.10136	7.7
99.96522	3.7
105.07014	44.2
107.04912	12.6
107.08590	29.7
109.02884	20.9
109.06473	7.6
109.10119	9.6
111.04435	15.3
111.08057	13.4
117.07005	12.3
119.08579	24.0
121.06496	12.3
121.10129	22.2
123.04449	3.6
123.11682	9.2
127.03877	11.2
129.06982	15.5
131.08601	26.5
133.06421	4.9
133.10095	17.4
135.07988	4.7
135.11639	8.4
143.08537	6.0
145.10088	10.4
147.11688	21.5
149.09604	5.4
149.13231	11.4
153.08980	4.1
155.08586	4.8
157.10086	11.5
159.11684	8.8
163.11166	4.8
165.12779	4.9
169.10092	6.4
175.11168	10.5
177.12720	6.0
181.10075	4.1
183.11670	7.2
185.09692	4.4
191.10565	4.2
193.12273	31.4
195.13707	8.9
200.96619	4.1
211.13255	54.2
246.46338	4.0
267.15881	17.5
269.17496	8.8
275.19946	6.2
285.17050	7.0
295.03751	4.1
301.14636	6.0
337.16510	4.4
339.17923	6.9
395.20627	8.0
411.19901	4.9
443.28088	5.1
452.70837	4.6
453.78973	5.1
461.28918	22.0
479.29944	14.2
605.32898	8.8
623.24432	6.8
623.34070	75.4
623.43158	9.6
624.34235	8.8
647.13580	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	623.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60954	2.3
53.03941	12.8
55.01861	10.3
55.05505	26.6
57.03434	14.3
57.50694	2.4
64.34767	2.1
67.05500	60.5
69.03420	22.8
69.07051	13.2
69.82456	12.6
71.04984	8.9
71.79377	2.3
75.49559	2.2
79.05057	4.4
79.05484	48.3
79.05909	3.9
81.03410	100.0
81.07052	72.1
83.04967	25.0
83.08611	25.1
85.02896	27.8
85.06543	5.5
91.05473	48.2
91.06017	4.4
93.07030	45.6
95.04967	26.3
95.08585	28.4
97.02875	17.0
97.06527	12.1
97.10160	6.5
98.20905	4.4
99.04447	6.4
105.07025	36.8
107.04949	11.5
107.08590	26.9
109.02863	15.5
109.06501	5.6
109.10158	8.7
111.04432	14.0
111.08066	10.2
115.05411	3.3
117.07013	14.7
119.08560	19.6
121.06459	3.5
121.10139	15.8
123.04381	3.2
123.08004	5.3
123.11671	5.0
125.09637	4.2
127.03928	5.7
127.07566	2.9
129.06984	14.1
131.08575	20.5
133.06467	3.9
133.10083	20.0
135.08028	3.1
135.11682	6.9
137.05986	3.3
143.08543	5.0
145.06488	3.6
145.10118	8.3
147.08072	5.2
147.11661	16.7
149.09639	8.7
149.13216	12.6
151.07553	4.6
155.08598	4.4
157.10124	13.3
159.08017	3.0
159.11687	11.1
161.09616	2.4
163.11186	7.5
165.12733	5.0
171.11673	3.3
173.13359	2.5
175.11212	12.2
177.12775	5.7
185.09662	3.0
189.11151	3.2
191.10602	3.6
193.12270	35.8
195.12053	3.2
195.13643	11.3
199.11043	2.2
208.22821	2.7
211.13266	52.1
227.12611	3.6
235.13242	2.7
249.14899	2.8
267.15887	9.5
269.17450	10.4
275.19916	3.4
282.35614	2.5
285.17078	5.1
303.15948	2.7
337.16330	5.0
339.18030	6.8
355.17667	3.9
369.24399	4.7
377.19547	2.8
387.25485	3.1
395.20737	8.5
411.20038	3.2
443.28015	7.1
461.29089	14.3
479.29892	14.9
605.33002	9.5
623.34143	76.7
623.42987	6.3
624.34485	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	623.342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31627	1.3
53.03939	10.7
55.01865	9.9
55.05509	31.1
57.03430	11.1
57.07066	2.1
59.04993	2.7
59.31396	1.5
65.01163	1.2
65.03933	3.8
66.91717	1.4
67.05498	54.5
69.03426	23.6
69.07070	16.6
70.58499	4.5
71.04989	10.4
79.05489	45.9
81.03412	100.0
81.07052	72.5
83.01400	1.3
83.04977	20.2
83.08614	21.2
85.02899	22.2
85.06544	5.7
91.05475	45.2
93.07034	45.3
95.04959	25.9
95.08596	21.9
97.02887	16.6
97.06523	11.0
97.10156	7.7
99.04454	5.8
99.08127	3.3
103.05427	2.4
105.07024	31.5
107.04961	7.8
107.08584	22.6
109.02877	20.3
109.06516	6.6
109.10156	5.2
111.04441	14.7
111.08067	11.0
113.06031	2.9
115.05454	3.0
117.07009	10.9
119.04894	2.0
119.08572	21.4
121.06535	5.5
121.10143	15.1
123.04452	3.1
123.08086	3.7
123.11713	6.7
125.05988	1.4
125.09635	4.7
127.03896	12.2
128.06238	2.2
129.05496	2.8
129.06996	12.0
131.08545	19.5
133.06511	5.9
133.10138	13.1
135.08049	4.4
135.11621	6.4
137.05942	1.8
141.07022	2.1
143.08588	2.9
145.06476	3.2
145.10141	6.0
147.08060	3.2
147.11674	15.5
149.09633	5.4
149.13248	12.1
151.11293	1.6
155.08612	2.7
157.10172	10.5
159.11655	9.2
163.07607	1.8
163.11247	4.7
165.12764	6.1
169.10135	2.5
171.08028	1.8
171.11816	1.7
173.04463	3.6
173.05913	1.7
173.09569	1.8
175.11217	9.7
177.09137	1.8
177.12776	5.8
179.78944	1.5
181.10538	1.1
181.12279	3.4
183.11726	2.8
191.10701	3.7
193.12231	34.6
195.13797	7.8
199.11288	1.7
209.11626	2.4
211.13268	45.7
213.14818	1.8
215.14400	1.4
218.26770	1.4
227.12833	5.9
229.14293	1.8
233.15370	1.6
235.13448	1.8
249.14928	4.9
251.16473	1.9
267.15869	11.7
269.15039	1.9
269.17484	10.9
273.14825	3.3
275.16586	2.3
283.15613	1.8
285.17142	6.6
301.14420	2.4
303.16000	2.5
319.15518	1.8
321.16977	4.6
337.16394	3.0
339.18063	9.5
355.17520	5.5
369.24399	5.9
387.25589	2.8
395.20654	7.1
411.20239	3.3
413.21890	2.4
435.27280	2.2
443.28165	5.2
445.15372	1.5
461.28894	19.2
479.30014	14.0
527.30170	1.7
569.31000	2.6
587.31927	3.4
605.32947	10.0
623.34277	75.7
624.34265	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	625.1756
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
57.03436	2.9
61.02909	0.6
69.03423	1.2
69.92619	2.5
71.04990	12.2
81.03407	0.7
83.04976	0.5
85.02901	17.2
87.04482	0.6
92.02639	0.5
97.02882	0.9
102.97766	0.6
104.25373	0.6
104.77105	0.5
116.14127	0.5
121.02839	0.7
124.05227	0.4
127.03907	0.5
129.05469	3.7
134.37257	0.5
143.41431	0.5
145.04964	0.7
147.06499	1.4
151.03822	0.9
153.01814	5.0
165.01807	0.5
228.04250	0.8
229.05026	2.3
235.13283	0.5
245.04399	0.5
246.05272	1.4
257.04410	1.6
273.03964	1.1
274.04681	4.0
285.03922	4.4
302.04184	10.0
317.06537	100.0
318.06934	2.1
346.33752	0.5
585.71204	0.6
628.02246	0.5
632.58063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
55.05502	0.6
55.65513	0.6
58.26610	0.6
67.05502	2.7
69.07052	1.5
71.52550	0.9
79.05492	1.6
81.07035	3.2
91.05492	2.1
93.07047	2.3
95.04961	0.6
95.08627	2.1
105.07038	1.9
107.04994	0.9
107.08620	1.1
117.07041	1.4
119.08578	1.4
121.10185	0.7
131.08583	1.7
133.10155	1.4
135.11673	0.8
145.10191	0.7
147.11702	0.8
157.10143	1.4
159.11656	0.9
161.13284	0.7
273.18622	1.2
291.19620	1.1
392.20218	0.9
393.44217	0.8
405.21078	1.4
406.21692	0.9
407.22589	1.2
418.17670	1.5
419.18069	1.3
419.22849	1.1
420.23300	3.3
432.19351	1.3
433.19937	4.5
434.21188	1.2
437.23611	1.1
447.21683	4.5
448.22604	2.3
449.19873	1.6
450.16394	3.8
451.25125	2.4
452.25995	0.9
463.21173	3.9
464.22324	2.6
465.22797	3.5
477.22986	2.7
478.23819	7.6
479.24857	7.7
491.24731	1.8
505.26355	1.1
523.23846	2.5
534.26416	1.2
536.20129	1.2
537.24982	3.0
565.28528	19.0
594.27783	0.9
597.30139	1.0
617.06000	0.8
625.30188	100.0
626.30505	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	625.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66721	1.8
53.03936	4.5
55.01876	14.3
55.05503	35.2
57.03424	8.1
57.07052	3.2
65.03935	3.9
67.05498	76.2
69.07063	33.9
71.04967	5.0
79.05064	3.5
79.05486	44.1
81.03413	2.7
81.07047	69.1
81.07529	3.8
82.07359	2.0
83.04974	4.3
83.08607	20.4
85.06547	3.2
91.05470	43.1
93.07029	48.7
95.04973	10.4
95.08596	46.9
96.89874	1.8
97.06516	16.5
97.10168	11.8
99.08060	2.5
105.07019	43.0
107.04948	5.9
107.08575	30.1
109.06508	8.9
109.10146	24.0
111.08063	5.0
115.05447	4.7
115.39613	1.7
117.07005	23.2
119.08569	33.3
121.06544	3.0
121.10136	17.8
123.08082	4.6
123.11714	9.8
125.09604	9.4
128.06221	6.2
129.06978	21.4
130.07823	1.9
131.08549	34.9
133.06540	2.5
133.10107	25.5
134.56978	2.2
135.08057	6.7
135.11719	10.9
137.13286	2.8
141.07014	8.3
142.07788	5.6
143.08554	23.3
145.10117	29.0
147.11665	13.8
149.09619	5.5
149.13266	5.1
151.07646	2.7
153.06961	2.8
154.07646	1.9
155.08531	17.6
156.09322	3.1
157.10120	23.1
159.08054	2.3
159.11670	20.4
161.09578	5.1
161.13225	9.9
163.11154	4.0
165.06981	2.9
167.08534	6.6
168.09401	3.7
169.10138	19.3
171.11659	19.6
173.11768	4.0
173.13263	13.2
175.11287	2.0
175.14838	5.5
177.12787	3.2
181.10112	12.7
183.11696	21.4
185.13286	18.4
187.13301	2.2
187.14828	7.4
189.11226	4.5
193.10135	4.5
195.11687	11.1
197.13242	14.8
199.11131	2.9
199.14751	9.6
201.16440	3.7
207.11679	5.3
209.13226	11.3
211.14748	10.7
213.16415	6.6
217.15900	2.4
221.13417	3.6
223.14870	5.3
225.16414	7.9
227.12733	4.6
227.17966	4.6
229.14355	4.0
233.13335	2.6
235.14841	5.0
237.16434	5.0
239.17996	4.5
241.19533	6.0
249.16298	2.7
251.17896	4.1
253.19563	2.9
255.17471	2.2
257.18948	4.1
259.20642	9.1
267.20813	2.0
273.18484	3.9
275.20178	9.0
291.19550	3.3
309.22177	2.9
315.23462	2.4
323.23602	2.0
331.22604	2.2
333.24420	5.0
337.25519	2.3
342.72183	1.9
349.24023	4.0
363.26575	1.9
365.28619	5.0
379.30154	3.2
381.31812	2.3
403.29205	2.2
421.30756	4.5
439.32190	3.3
495.34882	4.5
513.35754	22.8
515.38922	8.3
527.37457	3.3
533.39600	13.8
537.35785	2.1
551.40875	9.8
559.96136	2.0
589.42505	3.4
607.43439	51.6
608.43323	3.9
625.28351	4.6
625.44568	100.0
626.44958	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	625.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16861	1.9
52.14471	2.1
53.03935	3.3
55.01622	2.9
55.01869	42.4
55.05264	2.5
55.05506	28.0
57.03422	8.4
57.07062	5.0
61.27305	2.1
61.94242	2.0
65.00784	2.5
65.03925	2.4
67.05498	63.7
69.07061	86.7
69.60490	14.6
71.04989	4.9
79.05487	44.2
81.03386	7.0
81.07052	62.9
83.04961	9.1
83.08629	10.9
85.06509	5.3
88.74309	2.0
91.04891	2.9
91.05467	57.7
93.07032	47.5
95.01276	5.5
95.04948	13.5
95.08598	50.7
97.06521	47.9
97.10136	3.7
97.75275	2.2
99.08057	3.2
103.05448	3.4
103.10255	2.1
105.04545	2.2
105.07017	64.1
107.04965	16.8
107.08582	30.5
109.06492	5.7
109.10132	14.1
111.08093	5.0
117.07001	24.8
119.08561	43.8
121.06490	4.9
121.10120	19.8
123.08090	4.0
123.11691	4.6
125.09662	6.7
128.06227	6.1
129.06987	16.1
131.08542	46.5
133.10124	41.9
135.08067	3.8
135.11681	15.6
137.09625	4.8
141.06937	11.1
142.07747	5.2
143.08551	30.3
145.06479	4.7
145.10104	41.7
147.08028	2.5
147.11662	28.8
149.09605	9.8
149.13235	8.1
155.08545	16.8
157.10121	29.8
159.08006	2.9
159.11674	27.5
161.13228	18.8
163.11153	5.4
163.14812	2.7
167.08562	7.5
169.10081	16.1
171.08052	3.1
171.10226	4.6
171.11659	25.7
173.09618	3.2
173.13261	19.8
175.14809	9.5
177.12828	4.3
179.08611	6.0
179.14305	4.6
181.10081	11.6
183.11673	16.9
185.13214	17.3
187.11150	2.7
187.14780	10.7
193.10063	3.2
195.11716	11.6
197.13272	14.8
199.11165	2.9
199.14780	13.0
201.16399	5.3
206.10806	2.5
206.55830	2.7
207.11658	5.7
209.13275	9.4
211.14774	7.2
213.16399	5.4
215.17944	3.5
217.15973	2.8
219.11699	2.6
221.13348	3.5
223.14819	6.6
225.16425	4.5
229.19528	3.2
235.14804	3.1
237.16391	4.0
239.17976	6.2
241.19481	19.9
247.20508	2.8
257.18985	7.1
259.20520	22.7
263.17972	2.8
275.20047	40.5
279.15765	3.1
283.16705	2.3
283.20508	2.6
291.19492	5.1
293.21310	4.9
315.23154	5.3
333.24258	22.0
339.23083	2.7
341.24902	2.8
349.23724	30.7
377.28668	2.6
409.31271	3.8
419.33127	5.9
421.31223	4.4
435.32635	10.1
437.34229	25.4
455.35495	2.4
493.36896	4.4
495.34781	2.6
501.35626	4.8
509.36282	6.2
511.37881	15.4
513.35626	13.3
515.38892	10.1
527.37097	7.9
529.38770	9.8
533.40027	15.2
551.40955	10.4
555.36804	4.0
556.37537	5.0
597.45264	3.6
607.43494	63.6
608.43823	6.0
625.44525	100.0
626.44647	4.0
650.24518	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01863	11.3
55.05505	31.7
56.12225	1.3
57.03426	8.4
57.07053	4.0
65.03932	2.7
67.05502	61.3
69.03420	2.8
69.07060	34.5
70.70681	4.3
71.04977	5.1
78.04655	1.2
79.05482	42.7
81.03400	1.8
81.07050	58.6
83.04969	7.5
83.08615	17.0
85.06537	4.1
86.09711	1.5
91.05473	45.5
91.29405	1.3
93.07037	45.9
93.07632	2.4
95.04954	7.6
95.07980	2.0
95.08594	38.8
97.06526	13.3
97.10150	9.4
99.08084	1.9
103.05426	2.6
105.07022	40.7
107.04948	4.2
107.08588	31.0
109.06539	5.6
109.10149	22.9
111.08062	4.5
113.09599	1.7
115.05480	2.0
117.07000	21.3
117.16300	1.3
119.08573	32.5
121.06504	2.6
121.10133	19.7
123.08061	3.7
123.11692	8.0
125.09625	5.4
128.06219	6.0
129.07010	17.6
130.07768	3.2
131.08559	29.3
133.06477	1.6
133.10114	28.2
133.11087	2.0
135.08083	3.9
135.11679	10.0
137.09642	2.1
137.13252	2.0
139.11180	2.2
141.06950	8.0
142.07802	5.0
143.08549	24.6
144.09291	1.6
145.06493	1.6
145.10110	31.1
146.10863	1.4
147.08063	2.3
147.11684	16.4
149.09612	7.4
149.13251	6.0
153.07016	1.5
154.07753	2.2
155.08534	20.2
155.09714	1.9
156.09378	3.3
157.10118	25.2
159.08009	2.6
159.11688	18.6
161.09634	1.9
161.13252	9.7
163.11165	4.5
163.14771	2.2
163.46611	1.2
165.06978	1.7
166.07719	1.4
167.08586	8.3
168.09407	1.6
169.10124	19.7
170.10828	1.6
171.11664	19.8
173.09596	2.6
173.13234	12.6
175.14780	4.5
179.08516	2.4
181.10098	10.1
183.11678	20.6
184.12299	2.0
185.09677	2.1
185.13271	15.0
187.11182	1.5
187.14824	6.5
189.11180	2.4
189.16283	1.7
193.10228	2.5
195.11699	14.4
196.12401	1.8
197.13234	13.8
199.11203	1.4
199.14844	9.8
201.12743	2.9
201.16455	3.8
207.11679	5.8
208.12408	1.6
209.13242	9.4
211.14822	11.4
213.12793	1.6
213.16403	6.4
215.14458	1.8
215.17950	2.3
219.11705	2.2
221.13205	2.8
223.14838	6.3
225.16551	4.1
227.12735	3.3
227.17903	3.3
229.14366	2.5
229.19473	1.8
231.17256	1.5
233.13272	1.8
235.14822	3.8
237.16437	4.3
239.18001	5.4
241.19618	4.3
243.21129	1.5
251.18068	3.9
253.19589	3.0
255.21239	2.1
257.19073	4.1
259.20563	6.8
263.17758	2.5
265.19583	2.6
273.18652	1.9
275.20142	11.8
289.21753	1.9
297.22067	1.6
305.22894	1.6
313.21637	2.6
315.23254	2.7
323.23691	2.2
325.21390	1.5
333.24384	4.9
349.23999	4.3
353.24448	2.0
363.26965	2.4
365.28549	5.5
379.30338	3.1
381.31686	3.5
389.28134	2.0
403.29767	2.2
409.31021	1.5
421.31052	3.5
435.32504	1.7
439.32147	2.9
443.28775	1.5
487.34467	2.1
495.34747	4.4
497.36633	3.0
513.35663	23.4
515.38678	8.5
527.37421	3.8
533.39685	9.6
551.41058	8.1
555.36780	1.5
567.40887	1.6
597.44836	2.3
607.43488	44.8
608.43671	4.2
625.44604	100.0
626.44464	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	625.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.3
55.01868	27.1
55.05264	2.8
55.05508	30.4
57.03433	8.8
57.07070	4.1
63.80699	1.9
65.03942	3.2
67.05499	67.2
69.03453	1.8
69.07062	63.2
71.04982	3.7
71.08643	2.5
71.31511	1.8
71.52586	2.6
76.31377	1.9
79.05488	48.6
81.03423	5.0
81.07047	70.8
82.74411	1.8
83.04982	8.7
83.08608	15.3
85.06525	4.1
91.05466	49.9
93.07032	47.1
95.04957	11.7
95.08599	48.5
95.36419	1.8
97.06516	35.7
97.10154	7.6
105.07018	57.4
105.07693	3.9
106.07354	2.4
107.04939	12.1
107.08585	30.8
109.06516	5.2
109.10133	19.7
111.08056	5.5
115.05449	4.7
117.07011	21.7
119.08562	42.1
121.06484	7.3
121.10118	20.3
123.08066	5.7
123.11681	6.0
125.09634	7.5
128.06216	7.1
129.06995	18.4
129.90672	1.9
130.07732	2.4
131.08556	40.9
133.10118	34.6
135.08060	4.5
135.11685	13.8
137.09612	2.3
139.11217	3.2
141.07007	8.3
142.07805	3.4
143.08534	24.8
145.06459	4.2
145.10110	35.3
147.11641	19.8
149.09601	4.9
149.13275	6.0
151.11160	2.2
155.08539	15.4
157.10133	21.4
159.08052	3.3
159.11678	28.1
161.09628	2.9
161.13208	12.2
163.11145	4.5
163.14841	4.6
165.07133	2.6
167.08589	7.1
168.09386	2.9
169.10110	15.7
171.11652	21.8
173.09692	3.4
173.13231	19.3
175.11131	3.5
175.14841	8.5
177.12793	3.5
179.14305	4.5
181.10130	11.2
182.10861	2.5
183.11713	15.9
185.09578	2.9
185.13258	15.9
187.11250	3.3
187.14886	6.8
193.10133	4.5
195.11699	7.9
197.13226	14.2
199.14859	10.4
201.16304	3.6
205.12291	2.1
207.11728	4.9
209.13272	9.9
211.14891	6.1
213.12712	2.4
213.16418	6.1
215.17955	2.2
221.13350	3.2
223.14853	7.1
225.16525	5.7
227.17964	2.3
231.17258	2.1
235.14821	3.2
237.16359	3.6
239.14204	3.3
239.17966	4.3
241.19482	9.9
249.16440	2.9
251.17958	3.9
257.19019	8.0
259.20532	17.8
263.17789	2.3
267.21118	2.1
271.20648	3.4
273.18518	6.1
275.20056	28.5
277.21652	2.4
279.15866	2.1
279.21280	2.3
289.21811	2.7
297.21988	3.0
315.23044	4.1
325.21814	2.9
333.24454	14.1
343.26587	2.4
345.24557	2.0
349.23700	17.1
353.24799	3.1
421.31287	4.4
435.32785	7.2
437.34412	11.6
455.35083	3.7
505.40424	3.7
509.35977	3.6
511.37936	9.8
513.35785	11.7
515.38947	6.1
527.37091	7.2
529.38971	8.6
533.39948	12.9
551.40576	10.0
555.37592	3.6
556.37488	2.6
589.42798	4.2
597.44794	3.1
607.43555	52.8
608.44208	6.3
625.44507	100.0
626.45001	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	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43608	2.0
53.03935	4.7
55.01872	12.1
55.05266	2.3
55.05509	32.9
57.03432	10.0
57.07073	3.4
59.05005	2.2
60.72904	2.1
65.03925	5.5
67.05501	66.6
69.03423	3.4
69.07065	30.8
71.04980	5.5
71.52891	3.2
79.05489	46.5
81.03405	4.6
81.07052	65.4
82.53186	1.7
83.04974	5.7
83.08616	18.4
85.06505	3.6
91.05482	43.5
93.07035	41.0
95.04967	8.1
95.08602	41.1
97.06539	16.7
97.10165	12.9
105.07031	39.7
105.07681	3.7
107.04974	6.7
107.08578	27.6
109.06509	7.0
109.10153	22.5
111.08096	5.6
115.05482	2.6
117.07004	21.6
119.08572	33.7
121.06492	3.9
121.10143	19.8
123.08102	3.3
123.11678	10.0
125.09631	10.0
128.06239	5.1
129.06993	17.8
130.07791	2.4
131.08557	30.4
133.06514	2.6
133.10124	26.9
134.91187	2.0
135.08046	4.6
135.11691	12.1
137.09668	2.0
141.06979	9.6
142.07805	5.3
143.08560	22.7
145.06459	3.3
145.10130	24.6
146.10432	2.0
147.08102	2.4
147.11662	18.6
149.09631	5.4
149.13292	4.5
151.07542	3.3
151.11180	3.4
153.06967	2.5
154.07791	3.2
155.08560	17.3
156.09354	1.9
157.10139	20.3
159.11696	15.8
160.87241	2.4
161.13210	10.6
163.11172	6.4
165.05502	3.6
165.06941	4.1
167.08588	8.6
168.09320	3.4
169.10146	21.5
171.11681	21.7
173.09590	2.7
173.13214	12.4
175.14920	3.4
179.08540	3.7
181.10098	11.9
182.97112	2.2
183.11687	19.7
185.09657	2.2
185.13242	17.7
187.11215	3.0
187.13315	3.5
187.14856	7.1
189.11296	3.4
193.10153	5.2
195.11694	11.0
197.13246	17.1
199.14842	12.8
201.16345	4.8
207.11691	4.8
209.13193	10.2
211.14787	10.4
213.16504	4.6
221.13379	3.3
223.14871	7.7
225.16441	3.4
227.12794	7.4
227.17979	4.0
229.19672	2.7
235.14874	2.9
237.16370	4.7
239.17944	5.3
241.15871	2.4
241.19563	3.9
243.15834	4.1
251.17902	3.2
253.19498	4.5
255.21429	2.4
257.19092	6.0
259.20581	4.6
273.18558	3.3
275.20084	11.9
291.19922	2.3
307.20349	2.0
327.23148	3.0
333.24182	5.3
337.93460	2.5
349.23853	5.9
365.28464	7.2
381.31873	3.0
383.29605	4.6
391.29944	2.9
421.31100	3.7
439.31985	3.2
463.31421	2.1
484.72293	2.1
513.35791	14.7
514.36255	3.1
515.39081	5.9
527.38049	2.2
533.39905	10.3
551.40869	6.9
589.42474	3.6
607.43445	46.3
608.44226	5.8
625.27112	5.9
625.44574	100.0
626.44904	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	627.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.5
61.02903	1.3
68.99783	1.0
69.03428	3.1
70.84639	0.9
70.84978	0.5
71.04984	1.4
73.02912	0.5
74.61750	0.3
79.69477	0.3
81.03398	1.5
85.02894	13.5
91.03954	0.7
97.02890	3.2
99.04447	0.5
109.02866	1.1
111.00781	1.6
111.65511	0.4
121.02830	0.9
125.63431	0.4
127.03909	3.0
137.02333	4.3
145.04909	3.2
153.01804	4.3
163.03922	0.8
163.05965	0.7
165.01826	2.1
165.36755	0.4
173.05971	0.9
183.02885	1.1
201.05403	1.8
229.04897	5.0
247.05927	0.6
257.04443	2.9
266.42603	0.4
274.04602	1.0
285.03854	1.5
303.04950	100.0
304.05420	1.5
315.04929	0.6
319.04459	8.2
345.05945	2.0
347.58789	0.4
399.07086	0.6
465.10141	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1545
Annotation	Gossypetin 7-glucosyl-(1->3)-rhamnoside
Peak:m/z	Relative Intensity
54.02227	0.3
55.01862	0.7
56.94378	0.3
57.03420	2.0
59.44346	0.3
61.02920	0.9
68.99766	0.7
69.03437	1.5
69.68836	2.3
71.04990	11.2
73.02898	0.7
73.19571	0.3
75.04456	0.4
81.03407	0.7
83.04969	1.0
83.07069	0.3
85.02900	17.4
87.04469	0.5
97.02899	1.5
98.21553	0.4
99.04453	0.8
109.02885	0.9
111.04420	0.6
121.02898	0.4
127.03890	1.1
129.05469	3.3
129.87512	0.4
137.02344	3.3
145.04942	1.0
147.04352	0.4
147.06543	0.9
153.01833	1.5
163.06047	0.4
165.01805	0.5
169.01308	2.8
171.04330	0.3
181.01305	1.2
189.05487	0.5
199.03906	1.0
203.03427	0.4
217.04915	0.8
227.03485	0.4
245.04434	1.6
271.10532	0.3
273.03958	2.5
275.05521	0.3
287.05377	0.4
290.04248	0.4
301.03223	1.7
302.03876	0.4
303.04947	4.9
319.04453	100.0
320.04633	2.0
360.21198	0.3
361.83850	0.4
395.97302	0.3
429.07944	0.5
447.08853	0.6
465.10641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26240	0.1
53.03922	0.4
55.01860	0.4
57.03420	0.5
61.02920	0.9
68.99776	0.4
69.03419	2.1
69.66607	0.8
73.02901	0.3
81.03406	1.4
85.02894	6.1
87.04438	0.2
91.03918	0.5
93.03419	0.2
93.74332	0.1
95.04944	0.3
97.02881	2.4
98.20850	0.2
99.04462	0.4
109.02869	0.8
111.00790	1.0
121.02837	1.2
123.04401	0.4
127.03899	1.5
137.02322	3.0
139.03819	0.2
145.04898	1.1
149.02290	0.4
153.01811	2.6
155.04942	0.2
161.05876	0.3
163.03877	0.6
163.26782	0.2
165.01819	1.6
166.02586	0.3
173.06015	0.3
183.02950	0.9
183.04358	0.3
195.02927	0.2
201.05432	1.2
207.02831	0.2
211.03668	0.2
219.06453	0.3
229.04950	3.8
239.03397	0.2
239.35611	0.2
247.05971	0.7
248.02991	0.2
257.04355	2.6
274.04715	0.6
275.05417	0.3
285.03952	1.2
303.04941	100.0
304.05322	2.0
345.06018	0.4
355.42044	0.2
449.31046	0.2
465.10239	6.6
466.10596	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
55.77282	0.6
57.03399	0.9
58.71006	0.6
61.02917	6.9
64.31399	0.5
66.72224	0.5
67.12046	0.5
68.99780	0.7
69.03402	2.0
71.04971	0.6
71.52957	1.0
71.99038	0.6
73.02911	2.7
74.06065	1.0
75.05592	1.0
75.45702	0.5
80.05180	0.5
81.03402	1.2
85.02891	11.1
91.03943	5.8
97.02877	4.8
99.00083	0.5
99.04443	0.7
111.00756	0.7
121.02875	0.6
123.04440	0.9
127.03902	3.5
137.02327	3.4
137.05923	1.1
145.02847	0.6
145.04919	2.4
146.25658	0.6
147.04329	0.6
148.11887	0.7
153.01775	3.3
163.03850	1.5
163.06010	1.2
165.01770	1.8
183.02870	1.2
201.05515	1.4
229.04938	4.1
238.90605	0.7
257.04388	2.7
280.28534	0.6
285.03873	1.7
303.04947	100.0
304.05209	1.0
310.81021	0.6
315.04968	2.9
319.04440	2.2
327.05002	0.8
341.06363	0.8
345.06110	3.4
361.04016	0.8
369.05884	1.7
399.07114	1.5
447.08932	1.2
465.10410	3.9
465.17047	0.7
602.48163	0.7
627.06024	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.4
55.01850	0.5
57.03431	0.7
61.02922	0.9
68.99781	0.6
69.03088	0.2
69.03423	2.5
71.04646	0.2
71.04987	0.2
73.02912	0.2
81.03400	1.2
82.74131	0.1
83.01312	0.1
85.02895	5.9
87.04459	0.3
91.03928	0.4
93.03372	0.2
95.04922	0.1
97.02881	2.4
99.04441	0.6
109.02868	1.0
111.00767	0.9
116.98628	0.1
119.04938	0.1
120.39987	0.1
121.02882	0.8
123.04412	0.3
127.03899	1.5
135.04391	0.2
137.02318	3.6
137.03395	0.2
137.05914	0.2
145.04927	1.1
145.06511	0.1
147.04350	0.2
149.02327	0.6
153.01810	3.7
155.04922	0.3
156.03918	0.1
161.05989	0.3
162.49782	0.1
163.03876	0.7
165.01830	1.8
166.02534	0.2
166.92900	0.1
167.07089	0.1
173.05960	0.3
183.02866	0.9
183.04382	0.2
187.03935	0.3
195.02931	0.2
201.05441	1.5
205.04982	0.1
213.05467	0.1
213.16621	0.1
215.03406	0.2
219.02919	0.2
219.06482	0.3
228.04185	0.2
229.04927	3.4
240.75322	0.1
247.05875	0.6
257.04410	2.9
274.04642	0.7
275.05402	0.3
285.03958	1.5
297.84985	0.1
303.04944	100.0
304.05276	1.6
345.05725	0.2
377.78125	0.1
465.10269	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	627.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
54.17086	1.5
55.01846	2.9
55.05505	9.1
57.03413	1.9
57.07059	3.2
59.11586	1.3
59.25716	1.7
63.44197	1.5
65.03917	2.7
65.50494	1.3
67.05495	18.5
68.99777	2.7
69.03411	4.5
69.07059	13.8
69.68916	1.4
71.04996	2.7
71.42023	3.2
79.05481	11.0
80.58258	1.8
81.03410	8.2
81.06588	3.0
81.07047	43.4
83.04931	2.7
83.08614	5.4
85.02925	8.1
85.06522	3.6
87.04440	1.6
87.44629	1.5
91.05476	10.2
93.03418	1.5
93.07022	14.3
95.04947	6.6
95.08597	42.4
97.02868	4.0
97.06506	4.2
97.10150	5.5
98.03669	2.0
99.04436	2.9
99.08080	3.9
103.03932	2.7
104.15305	1.6
105.07021	9.3
107.04951	4.0
107.08588	18.7
109.02853	6.1
109.06468	5.3
109.10145	23.7
111.04398	2.3
111.08054	4.3
111.11705	3.1
115.05427	3.0
117.06993	2.3
119.04917	2.7
119.08562	9.8
121.06509	3.1
121.10124	13.1
123.04414	9.0
123.08108	1.9
123.11704	10.6
125.06000	2.7
125.09602	3.5
126.03191	3.0
127.03890	4.6
131.08559	3.9
133.06470	2.8
133.10101	7.8
135.08032	3.5
135.11649	9.1
137.05960	14.3
137.09526	3.1
137.13243	3.1
139.03830	1.9
139.11171	2.5
141.05449	100.0
143.08549	2.1
143.23372	1.5
145.02840	2.0
145.10056	2.9
147.04350	5.2
147.11632	7.0
149.06001	2.8
149.13260	10.8
151.03889	3.3
151.07513	7.2
151.11177	2.5
151.14813	4.7
153.05449	9.4
157.10158	2.4
159.11668	3.9
161.05949	7.3
161.13219	4.3
163.07475	2.9
163.11142	2.2
163.14824	3.9
165.05443	21.6
167.07025	25.6
171.04468	2.2
173.05968	3.2
173.13226	3.5
175.07509	3.3
175.14873	3.3
177.05447	12.1
179.03369	2.6
179.06987	6.5
179.14389	2.1
181.04962	8.5
183.06491	15.6
189.05431	2.4
191.07014	8.1
191.17889	2.1
193.15878	2.3
199.14807	1.9
203.07001	8.5
207.06519	17.3
209.07973	3.8
219.06403	2.1
219.17496	1.7
231.06482	26.8
233.08031	4.0
249.07501	16.0
267.08707	3.5
271.13397	2.6
271.24002	2.4
277.25220	2.5
285.09796	1.7
289.25189	5.8
307.26257	3.2
313.17883	3.4
315.65662	1.5
349.27414	2.4
391.28412	3.2
397.26828	1.7
417.15460	3.6
433.29364	2.3
555.31738	2.2
627.23260	2.7
627.35962	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97040	1.9
53.03928	4.9
55.01862	14.4
55.05502	31.4
56.87682	2.9
57.03420	9.0
57.07055	2.9
58.12132	2.0
65.03927	9.1
65.45285	2.1
67.05496	83.5
69.03398	2.9
69.06714	3.1
69.07059	31.3
71.04984	6.1
79.05485	69.6
81.03410	5.0
81.07044	100.0
81.07520	5.5
83.04952	8.1
83.08607	17.7
85.06532	3.3
91.05469	59.0
93.07028	74.2
95.04951	11.7
95.08596	55.4
97.06513	20.9
97.10143	7.6
99.08060	2.8
105.07022	47.0
107.04929	10.2
107.08576	42.6
109.06518	13.6
109.10143	26.7
111.08074	5.8
113.09668	2.3
114.82701	2.2
117.07010	14.3
119.08569	36.8
121.06438	4.0
121.10114	28.3
123.08049	7.7
123.11679	12.4
125.09605	6.1
128.06224	3.4
129.06976	9.5
131.08554	24.7
133.10112	35.7
135.08037	4.8
135.11674	24.1
137.09576	4.0
139.64938	2.3
143.08540	9.1
145.10114	23.0
147.08011	3.1
147.11670	29.5
148.29462	2.1
148.61850	2.3
149.09601	18.9
149.13246	10.3
151.11154	4.7
155.08530	4.4
157.10081	8.1
159.11685	15.1
160.12122	3.0
161.09610	2.5
161.13226	9.4
163.11192	7.3
163.14793	5.5
165.12683	7.8
169.10150	6.6
171.11691	8.3
171.37904	2.4
173.13266	13.2
175.11183	5.5
175.14757	4.1
177.12773	4.2
181.10109	2.7
183.11632	5.4
185.13168	3.1
187.14755	4.7
189.11217	3.3
189.12805	3.1
197.13240	2.8
199.14816	3.9
201.16388	4.4
213.16324	3.4
219.17175	2.4
229.19522	3.1
238.76050	2.2
239.17885	4.3
241.19597	2.7
257.18909	9.6
259.20685	5.5
261.22076	3.6
266.27109	2.4
267.15872	2.6
275.20032	57.9
277.21533	7.2
293.21127	7.7
333.24051	3.8
335.25790	33.6
349.23730	23.9
357.74841	2.1
381.27377	2.5
456.23886	2.4
515.37427	4.5
535.40485	4.3
553.41846	2.7
567.25208	2.9
609.45111	36.2
627.28259	2.7
627.46124	53.3
628.46478	3.4
655.17499	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	629.2237
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
51.13141	0.4
55.01842	0.5
68.29808	0.4
69.19269	5.3
105.07014	0.6
395.11328	0.8
396.12225	2.1
397.13058	3.1
398.13779	1.5
399.14575	1.6
400.15381	0.6
409.13086	1.5
410.13852	3.1
411.14459	10.8
412.15231	6.0
413.16061	5.7
414.16589	0.8
416.15762	0.6
423.14731	2.1
424.10846	1.1
424.16226	2.8
425.16199	19.5
426.16891	12.2
427.17688	4.5
428.18661	3.8
429.19580	0.7
437.16507	1.1
437.22751	0.5
438.13211	3.9
438.17639	1.7
439.13541	26.2
440.13882	1.8
440.19116	8.9
441.19260	45.7
442.19705	3.0
444.18155	0.6
451.13452	0.6
452.14291	4.6
453.15305	29.1
454.15704	7.9
455.16919	1.8
456.17694	1.9
457.14709	1.0
459.20328	0.5
463.14001	1.0
465.15421	0.7
466.16641	0.7
467.17188	31.2
468.17847	25.0
469.18817	11.7
471.16663	1.5
472.17188	1.0
480.17563	1.0
481.14584	12.0
482.15714	2.8
483.16370	0.9
484.21863	3.8
485.18127	1.9
485.22409	0.6
486.18890	0.6
487.19977	0.6
493.14844	0.6
494.16327	0.7
495.16907	3.1
496.17108	15.8
497.17859	2.1
498.18921	2.1
499.19891	1.5
500.20761	5.1
508.20126	0.6
509.18427	1.6
511.19269	0.7
512.21167	2.6
513.21790	6.5
514.22174	0.8
523.19714	2.1
525.20782	0.7
526.18427	1.2
528.19818	1.1
537.18787	1.1
541.20819	48.7
542.21259	3.8
553.20416	0.8
554.17889	0.6
569.20264	100.0
570.20691	5.7
572.19275	1.3
573.23370	3.4
587.21454	0.5
597.19727	30.6
598.19653	1.4
600.21979	1.9
601.22906	13.9
611.21326	0.7
615.20844	1.3
629.22253	72.1
630.22571	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	629.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53263	0.9
80.65350	0.7
81.07062	0.7
91.05468	1.0
93.07057	1.1
95.08557	0.9
96.05097	0.8
106.07394	0.7
165.09161	0.7
211.21371	0.7
225.59920	0.7
248.59052	0.7
411.14404	1.5
412.14526	0.7
424.15256	2.3
425.16068	4.8
426.16843	3.1
427.17429	2.8
437.16388	0.8
438.16815	2.3
439.18051	7.7
440.18491	6.4
441.18900	1.0
442.20197	1.4
452.13995	3.5
453.15402	26.1
454.15555	2.5
454.20251	2.8
455.20834	34.4
456.21140	2.7
465.15726	0.7
466.16043	1.6
467.16992	32.2
468.17661	10.5
469.18109	0.9
470.15643	1.0
481.18527	6.5
482.19199	30.2
483.19305	3.0
485.18051	1.1
486.18805	0.8
494.18771	0.8
495.20227	1.2
499.20355	0.8
513.21497	1.3
514.21997	1.1
523.21606	1.2
524.21503	0.8
528.23663	2.8
541.24078	2.8
553.21948	4.2
554.21564	1.5
569.23932	100.0
570.24054	6.7
597.23486	1.7
597.32849	0.7
600.22119	2.9
601.26770	4.2
629.25848	76.6
630.25775	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	631.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.6
56.96571	7.1
57.03439	1.9
62.32041	1.4
69.69734	1.3
85.02896	4.5
91.05455	3.5
97.02876	2.0
98.97578	13.3
101.00885	7.2
113.00848	2.2
115.02429	2.2
116.98643	7.3
119.01913	30.6
119.04931	6.2
119.82799	1.4
121.01698	1.8
123.04422	3.4
127.03902	4.1
128.98608	3.4
131.00122	1.8
131.01881	14.4
131.05527	5.9
133.01741	1.7
133.03479	3.2
134.99670	3.2
135.04410	2.4
137.02907	3.4
137.05978	4.8
139.03908	3.0
143.01886	48.5
144.02011	1.9
145.01599	2.6
145.03453	3.7
146.99586	2.2
147.01419	2.4
147.04356	18.3
148.04787	1.4
149.02962	1.6
149.06598	10.1
152.98726	1.2
155.01901	16.2
157.03445	2.3
158.99593	3.4
159.05069	2.8
161.02953	100.0
162.03061	2.7
163.02687	8.1
163.03802	3.0
167.07037	2.3
169.03381	1.8
169.07001	1.5
170.67882	1.5
171.05000	3.0
173.02989	20.2
173.04369	2.7
173.06599	23.9
174.06651	1.6
175.04625	1.6
177.00723	5.6
177.06047	4.8
184.04565	5.5
185.02901	3.3
185.06584	20.1
187.06567	1.5
187.08171	6.0
189.00687	1.4
189.04283	1.6
191.06061	1.6
191.07640	8.5
197.06543	3.0
199.08163	1.6
203.04047	4.6
203.07678	16.4
215.07619	12.0
219.01752	5.7
221.05043	17.1
223.04727	3.4
227.07462	1.7
233.08769	3.1
237.02768	8.8
237.06204	1.6
245.04608	2.0
257.04340	2.1
257.08691	3.3
259.04559	2.4
261.06192	2.4
271.05481	1.7
275.09848	20.3
277.09119	2.2
289.05887	1.6
291.07074	1.7
293.05664	1.8
293.10806	42.8
294.11142	1.8
295.10403	3.2
303.07419	1.7
307.06870	2.2
309.08545	4.1
316.12527	1.5
321.08432	2.6
335.11716	2.6
349.09521	8.2
357.10254	2.0
367.08801	2.1
381.10303	1.6
387.11267	3.8
405.12326	5.3
415.08987	1.8
421.13474	12.7
433.10153	2.1
439.14481	47.5
449.11453	3.0
457.14212	3.8
467.12335	5.7
497.14664	1.8
521.07623	1.7
521.15057	23.0
595.15045	18.8
595.31335	1.6
613.15948	13.0
631.17914	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	631.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.4
53.03932	0.9
53.52164	0.4
55.01866	2.0
55.05501	0.8
57.03409	0.4
60.43151	0.4
65.03916	1.6
67.05489	2.2
68.99758	1.0
69.03400	1.3
69.07045	1.4
71.04968	0.4
71.37958	0.4
71.52312	0.5
71.52715	0.6
72.44359	0.3
79.05475	2.0
81.03391	1.7
81.07063	3.0
83.04950	0.9
85.02865	1.5
85.06522	0.8
91.05486	2.7
93.03393	1.0
93.07032	2.0
95.04971	4.2
95.08595	2.1
97.02870	1.0
97.10155	0.4
101.07010	0.4
103.05456	1.6
105.03370	1.6
105.07008	1.5
107.04924	1.7
107.08599	1.0
109.02852	1.9
109.06505	1.5
109.10120	1.4
111.04446	2.8
111.08087	0.5
115.05453	0.7
117.07001	1.7
119.04935	5.8
119.08534	1.0
121.02883	0.6
121.06517	0.7
121.10127	1.3
122.03643	0.5
123.04420	33.4
123.11711	0.6
124.04768	0.4
125.05911	1.4
127.03888	1.7
131.04927	5.3
133.02797	0.6
133.06499	0.6
133.10106	1.0
135.04390	3.2
135.08028	0.5
137.02312	1.1
137.05968	18.0
139.03883	12.4
141.05446	0.4
143.04890	0.9
145.02846	1.2
145.06470	2.7
147.03227	0.9
147.04401	18.7
148.04842	0.6
149.05905	1.0
151.03893	100.0
152.04269	1.5
153.05476	5.9
153.06801	0.6
159.11656	0.9
161.05957	3.6
163.03920	4.9
163.07510	2.0
165.05487	7.4
165.06898	0.6
165.09038	0.8
167.07047	2.7
169.06425	0.5
173.05957	4.0
175.03873	1.6
175.07553	1.8
177.05460	4.7
177.09125	2.1
179.03352	0.7
179.07025	1.6
181.04932	6.8
187.03912	0.4
187.07550	2.0
189.05428	1.5
190.07790	0.4
191.06976	1.0
191.08527	0.9
193.04951	4.2
195.10057	0.5
197.05940	0.8
205.08601	4.2
207.06494	3.0
209.08092	1.0
215.07037	1.7
217.08676	1.1
219.08064	2.8
220.08969	0.4
233.08023	1.2
243.06622	1.0
247.07535	3.5
251.10765	1.1
257.08047	0.6
261.07303	0.5
267.06390	0.8
279.10159	3.1
280.10968	0.7
285.07608	3.0
303.08609	81.0
304.08920	1.5
311.12756	2.9
329.13794	50.6
330.14130	1.1
355.11768	0.7
367.64526	0.5
387.14166	0.4
433.32986	0.9
479.16501	0.6
630.46051	0.9
631.26093	0.8
631.36719	13.8
631.45874	0.9
635.34283	0.5
645.92523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	1.5
55.01862	1.8
66.45532	1.4
71.52179	2.5
79.05473	10.6
91.05446	8.5
92.06212	1.4
95.04960	2.7
103.05471	6.3
105.03390	2.6
105.07037	13.9
107.04945	10.3
108.05704	4.5
118.04136	3.1
119.04926	4.5
120.05663	3.6
121.06496	9.4
122.07249	5.6
123.04345	1.7
124.05163	2.4
125.05971	3.4
132.05652	3.5
133.06488	17.3
134.07219	3.4
135.04362	4.3
135.07988	5.0
136.05234	2.9
137.06000	3.2
138.06729	5.1
139.07523	15.9
145.06554	1.5
146.07182	2.4
147.04405	5.0
147.07977	1.8
148.05173	5.0
149.05917	7.2
150.06754	31.3
151.07530	94.4
153.05458	7.3
160.08875	1.5
161.05974	4.3
162.06746	25.1
163.07533	31.1
165.09100	100.0
166.09720	2.4
167.07022	10.6
177.09090	4.3
178.06262	2.2
179.06979	2.0
189.09114	2.8
191.06999	3.4
193.08597	81.3
194.09319	8.0
195.10159	4.8
259.05994	4.8
287.12854	8.0
467.13406	2.8
567.04242	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
65.03917	2.3
67.05484	1.8
70.43030	4.3
70.43410	1.9
78.08565	1.3
79.05486	9.8
83.04969	1.6
91.05461	11.6
91.95827	1.2
92.06236	1.5
93.07028	1.4
94.04146	1.9
95.04974	7.0
96.05754	2.1
98.21409	1.8
103.05455	10.3
104.06239	1.9
105.03405	2.7
105.07027	12.2
106.04176	1.9
107.04942	17.2
108.05753	8.1
109.06521	3.2
110.03589	1.9
111.30950	1.3
115.05443	5.1
117.07014	6.7
118.04105	2.6
119.04931	4.5
120.05684	3.7
121.06489	18.9
122.07272	4.5
123.04402	3.2
124.05199	8.4
125.05952	4.6
131.04936	7.2
132.05646	4.5
133.02855	3.3
133.06496	15.5
134.07280	6.6
135.04378	4.8
135.08025	8.9
135.65106	1.5
136.05193	2.5
137.05948	4.2
138.06775	7.7
139.07526	26.9
145.06465	4.9
146.07245	32.2
147.04385	7.9
147.07986	4.3
148.05203	6.9
149.05994	7.5
149.09546	1.4
149.92929	1.2
150.06746	23.9
151.07532	100.0
153.05423	4.3
159.07996	1.4
161.05962	6.9
162.06738	22.6
163.07539	21.6
164.08278	2.2
165.05432	5.4
165.09093	74.7
166.09843	2.8
167.07028	17.4
168.07797	1.5
175.07590	2.6
177.09087	73.0
178.06194	1.9
191.06946	4.1
193.08592	24.5
194.09335	5.9
195.10136	4.9
225.76418	1.5
249.11230	1.3
257.07932	1.8
265.10675	2.8
283.09708	1.8
287.12747	4.8
457.89935	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.28451	1.1
65.03918	1.5
67.05485	3.9
69.03423	2.5
69.07050	5.3
71.53123	2.0
79.05472	3.9
81.03396	3.5
81.07054	9.5
82.41471	1.2
85.02906	2.0
85.06527	1.6
91.05463	4.1
91.32943	1.3
93.07025	6.4
94.06555	3.4
95.04948	2.6
95.08578	6.3
97.06502	1.8
97.10183	2.8
99.08073	2.4
105.07005	4.1
106.06561	1.3
107.04945	1.5
107.08562	3.5
108.08119	1.8
109.02935	1.3
109.06497	2.6
109.10139	4.3
119.04936	2.7
119.08592	2.7
120.04469	1.4
121.10120	2.7
122.06023	12.6
123.04420	2.9
123.11727	3.3
127.03905	2.4
131.04970	1.3
131.07076	1.9
133.10124	2.1
134.06009	3.5
135.11664	2.6
136.07545	14.9
137.05943	6.0
139.03868	1.8
140.07036	14.2
146.05981	8.5
147.04395	5.8
148.07578	9.6
151.03932	1.4
152.07040	3.4
159.11723	2.0
163.03906	1.4
163.14870	1.8
164.07056	12.4
165.05464	1.9
165.09114	5.5
166.08633	10.1
167.07079	2.1
172.03929	7.0
174.05487	4.9
174.09169	1.7
176.07019	15.3
177.05408	2.9
189.09106	1.9
190.04886	2.8
201.18207	1.4
204.06624	6.9
206.08168	2.4
207.06448	1.7
208.09787	2.0
211.12340	3.4
221.10648	2.0
222.11340	1.4
223.12212	2.8
224.09412	1.4
224.12917	1.6
225.10263	3.3
225.13933	1.6
227.11929	1.6
235.12344	2.5
236.12985	3.1
237.10143	8.2
237.13799	2.8
238.10966	13.4
239.11746	13.8
248.09380	2.4
249.10202	5.6
250.11043	3.7
251.11757	10.2
252.12396	1.6
253.13347	3.1
255.11266	1.4
261.12430	1.9
263.11780	13.7
264.08823	2.6
264.12518	2.7
265.09766	5.7
265.13333	22.2
266.13986	2.5
267.11261	4.3
269.12878	1.7
271.14389	8.3
277.09708	4.7
277.13336	3.4
278.10489	4.1
279.11237	100.0
280.11780	10.1
281.12842	3.7
282.13782	1.6
283.10770	3.0
285.12238	4.0
287.13925	7.0
289.15402	2.1
291.11276	3.5
292.11948	2.7
293.12775	6.8
295.10760	5.0
295.14346	2.5
296.11530	1.7
297.12302	61.3
298.13052	6.2
309.12308	35.0
310.13022	16.7
311.13788	4.1
313.11795	6.9
315.13318	2.3
319.10727	4.1
321.12265	12.8
325.11694	5.9
331.12900	4.9
337.11777	63.4
338.12534	20.9
339.13315	71.6
340.13922	4.3
345.14600	3.1
369.14435	12.5
370.14899	1.9
371.15967	39.2
385.13782	3.4
400.16763	2.0
418.17667	2.1
438.20221	5.4
442.17569	2.7
449.28934	1.6
460.18616	70.7
461.19266	8.5
464.18390	1.5
465.18896	1.7
466.19617	2.8
478.19684	51.2
479.20154	5.2
480.21198	14.8
492.21204	3.0
496.20578	3.9
510.22293	19.7
511.22659	2.6
583.25311	1.9
601.26495	49.7
602.26727	3.3
633.28052	4.0
633.37903	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	633.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01885	0.8
55.05490	1.4
64.87067	0.8
67.05492	2.7
69.03413	1.8
69.07064	4.2
71.53174	0.8
79.05470	1.5
81.03407	1.4
81.07038	4.9
85.02879	0.9
85.06522	1.9
91.05463	2.5
93.07024	3.3
94.06544	1.6
95.04953	1.8
95.08588	3.5
97.02854	2.2
97.06499	1.1
97.10148	0.8
105.06996	3.0
107.04929	1.1
107.08572	3.0
108.08117	1.2
108.71166	0.6
109.02833	1.6
109.10123	2.4
119.04947	1.0
119.08561	1.8
120.08060	1.1
121.10137	2.2
122.06000	5.2
123.04430	2.1
123.08029	0.8
123.11693	0.7
127.03915	1.1
131.08514	1.1
133.10139	1.3
134.06007	1.7
135.11665	1.4
136.07558	13.0
137.05952	3.1
137.09570	0.8
137.13179	0.9
139.03888	1.4
140.07048	6.9
145.10071	1.1
146.06004	5.7
147.04375	3.6
147.06731	0.8
147.11629	1.2
148.07542	7.5
149.13206	1.1
150.09116	1.4
151.03909	1.0
151.07555	1.1
152.07040	3.3
159.04280	0.8
159.11618	1.1
160.07509	0.8
161.06052	0.8
161.09558	0.9
163.03831	1.1
164.07048	11.8
165.09047	2.5
166.08626	1.7
172.03923	2.2
174.05484	2.7
176.07048	17.6
190.04965	2.2
191.90230	0.8
192.06578	1.0
196.39380	0.7
204.06522	1.7
209.10796	0.9
211.12268	1.9
221.10648	1.5
223.12271	1.9
225.10168	2.9
227.11752	0.8
235.12254	3.5
236.12982	1.1
237.10173	7.2
237.13824	1.7
238.10968	13.9
239.11800	8.7
249.10294	2.2
250.10992	2.2
251.11705	6.8
252.12489	1.8
253.13329	3.3
255.11256	1.1
259.09280	0.8
261.12506	1.1
262.10803	1.1
263.11826	5.2
264.08923	1.8
264.12299	1.1
265.09650	3.0
265.13330	12.6
266.10431	1.1
267.11252	3.7
269.12796	1.3
271.14377	6.1
275.11746	1.8
277.09973	1.9
277.13257	3.8
278.10547	3.1
279.11240	100.0
280.11954	8.8
281.12769	2.7
283.10727	2.3
283.14282	1.6
284.11380	1.1
285.12405	2.2
287.13876	6.4
291.11374	2.5
293.12775	5.2
294.13364	0.9
295.10883	1.7
295.14258	1.7
296.11630	2.4
297.12302	50.2
298.13089	5.1
303.05060	1.0
309.12308	15.4
310.13147	8.2
311.13876	4.9
313.11746	2.6
313.15460	0.8
319.10562	1.9
321.12296	13.1
322.13092	1.5
323.10089	1.1
324.10941	1.9
325.11749	4.1
331.12726	2.6
337.11765	24.4
338.12534	11.3
339.13358	85.9
340.13901	3.8
345.14352	1.0
369.14276	1.9
371.15952	15.5
392.19742	1.2
400.16461	2.2
402.18027	0.8
418.17563	1.2
424.16406	1.0
438.20273	3.9
442.17615	3.5
450.19904	0.9
460.18640	43.8
461.19278	3.9
462.20187	1.3
465.18991	1.4
466.19818	2.1
478.19690	30.7
479.20419	3.7
480.21277	7.5
510.22037	3.7
583.25031	2.1
601.26508	96.0
602.26270	2.9
633.28345	7.6
633.37823	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
55.01856	5.0
55.05501	18.3
57.03421	6.7
57.07072	3.4
59.04975	3.3
65.03918	5.1
67.05498	100.0
69.03424	32.7
69.07063	15.4
71.01334	3.1
71.04971	4.7
71.52391	3.2
79.05487	36.2
81.03410	21.6
81.06585	3.8
81.07050	46.0
83.04954	6.8
83.08598	8.8
85.02875	5.0
85.06542	3.7
86.37503	2.3
87.04447	2.5
91.04960	3.4
91.05476	35.1
93.07033	35.9
95.04951	9.4
95.08596	29.1
97.02866	5.0
97.06478	4.3
97.10143	4.2
99.04438	3.0
99.82967	2.5
105.07012	26.1
107.04948	2.6
107.08594	20.6
109.02858	4.8
109.06484	4.7
109.10146	58.8
111.04433	7.3
111.08055	3.7
111.44388	2.3
111.57928	2.1
117.07018	15.8
119.08559	25.4
121.06457	2.4
121.10126	15.8
123.08045	3.7
123.11678	4.7
125.09565	3.7
127.03919	4.2
128.06190	3.1
129.06985	8.1
131.04832	3.2
131.08551	15.5
133.10127	10.4
135.08049	4.9
135.11671	8.9
137.05933	3.3
137.09570	5.9
141.07001	4.1
143.08513	7.2
143.37715	2.1
145.06413	2.9
145.10098	9.2
147.11668	6.5
149.09543	3.9
151.07483	3.2
155.08545	5.9
157.10104	7.8
159.11662	9.2
161.09642	3.2
161.13229	3.8
165.06963	2.6
169.10132	4.7
171.11652	7.1
173.11725	13.8
173.13164	4.5
185.13312	4.4
187.14790	3.4
189.11194	7.1
195.11647	3.1
205.12276	2.1
229.14259	17.6
259.20685	3.0
277.21512	3.3
299.14862	4.1
301.21484	5.3
315.23242	2.5
327.22980	2.7
351.23102	6.7
355.17587	2.4
369.24118	8.9
387.25266	4.3
443.27881	4.5
461.28842	4.9
597.37830	5.1
605.86963	2.3
615.38782	9.8
633.40076	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	633.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.7
55.01861	5.0
55.05508	24.5
57.03427	6.1
57.07064	2.4
65.03939	6.0
67.05501	100.0
69.03424	33.5
69.07064	14.7
69.19537	24.5
71.01354	2.3
71.04976	4.3
79.05486	33.8
81.03409	26.0
81.07052	43.2
83.04990	10.4
83.08584	11.3
85.02905	5.9
85.06538	2.9
91.05476	34.7
93.07038	34.4
95.04974	15.9
95.08591	28.0
97.02880	6.3
97.10156	7.6
105.07025	26.7
107.04965	6.4
107.08604	22.7
109.02850	6.6
109.06509	5.8
109.10150	59.1
111.04434	5.0
111.08077	3.0
115.05447	2.8
117.07037	10.5
119.08576	24.0
121.06493	4.3
121.10138	17.7
123.04428	2.2
123.08075	3.3
123.11683	2.7
125.09627	6.2
127.03915	3.4
129.07007	8.0
131.08548	17.3
133.06506	3.4
133.10153	12.8
135.08026	5.1
135.11696	8.1
137.09644	6.0
141.07091	3.0
143.08542	6.1
145.06526	4.4
145.10159	16.5
147.08026	2.8
147.11644	10.4
149.09605	4.9
151.07399	2.8
155.08533	3.2
155.10620	2.4
157.06400	3.6
157.10229	5.6
159.08025	2.8
159.11714	9.5
161.13266	6.2
163.11162	2.9
169.10106	4.3
171.08141	2.7
171.11768	6.1
173.09708	2.1
173.11740	14.6
173.13266	5.6
175.11105	3.1
175.14914	2.8
183.11707	4.9
185.09549	3.0
185.13284	3.7
187.11197	2.7
189.11186	3.7
193.12164	3.5
194.37050	2.4
195.11761	3.3
197.13324	2.5
205.12253	2.8
223.14868	3.3
227.12761	5.2
229.14311	21.1
253.15453	2.3
259.20541	4.0
261.22101	3.6
261.94064	2.3
271.20294	2.2
301.21664	7.8
315.22934	2.8
327.23343	3.7
333.82767	2.4
341.24673	4.2
345.24457	3.2
349.35922	2.4
351.23151	8.7
355.17352	2.8
369.24292	12.1
387.25259	4.8
429.14807	2.3
443.28049	5.9
461.29022	6.0
597.37592	7.4
615.38770	12.0
633.39813	41.8
634.40015	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01855	3.6
55.05508	20.1
57.03421	6.6
57.07081	2.3
59.04987	2.8
65.03928	3.7
67.05499	100.0
69.03423	36.8
69.07059	12.4
69.17513	1.8
69.17841	18.8
71.04977	4.8
73.54063	1.5
79.05067	2.5
79.05489	30.9
81.03416	22.9
81.06595	2.1
81.07053	38.8
83.04959	6.7
83.08600	9.0
85.02882	4.5
85.06527	3.5
85.30305	1.5
89.02904	1.4
91.05476	31.5
93.07038	33.2
95.04959	11.8
95.08599	27.6
97.02879	3.3
97.06514	4.3
97.10142	5.9
99.04456	3.0
105.07024	21.7
106.45834	1.6
107.04928	4.8
107.08589	20.9
109.02845	6.6
109.06505	8.6
109.10149	58.7
111.04430	3.8
111.08060	4.6
113.05984	2.3
117.07021	14.3
119.07784	2.4
119.08577	24.6
121.06487	4.8
121.10140	13.4
121.32129	1.7
123.08018	4.0
123.11674	3.3
125.09628	5.3
127.03899	2.9
129.06985	6.5
131.04958	2.5
131.08553	18.0
133.06427	3.5
133.10123	15.1
135.08009	5.5
135.11664	7.8
137.09627	6.2
141.07013	2.2
142.19897	1.5
143.08548	6.6
145.06477	3.1
145.10114	14.6
147.07976	4.5
147.11664	11.7
149.09579	3.8
149.13235	4.5
151.95569	1.5
155.08528	3.9
157.10129	6.9
159.08025	2.7
159.11679	10.1
161.09599	3.7
161.13274	3.4
163.11131	1.7
167.08424	3.2
169.10085	4.0
171.08139	1.8
171.11736	9.6
173.09630	3.0
173.10312	1.8
173.11711	17.3
173.13271	6.2
175.11121	3.2
179.14479	1.5
181.10205	1.7
183.11662	5.8
185.09569	3.1
185.13219	2.2
187.11266	2.3
187.14767	3.5
189.11154	2.8
189.12761	2.4
193.12173	1.6
197.13206	3.0
199.14740	2.5
201.12840	2.0
209.13286	2.4
211.11241	1.7
225.16370	1.7
227.12463	1.6
229.14258	16.0
301.21527	6.9
309.22015	3.3
317.24536	1.8
319.22534	3.8
327.23236	3.0
331.26276	3.6
341.24872	2.8
351.23203	6.3
355.17786	1.8
357.24176	1.7
369.24188	10.5
375.25232	1.8
387.25275	4.3
391.17667	1.7
393.26358	2.2
429.33426	1.7
443.27884	3.2
452.82144	1.6
461.28903	5.3
597.37439	4.9
615.38959	5.5
633.39978	36.2
634.39783	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	634.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57783	1.1
53.03937	2.0
53.88151	1.4
55.01848	1.5
55.05515	1.7
65.03930	9.4
67.05496	2.9
68.99791	1.3
69.03422	1.8
69.07054	1.9
70.06580	1.2
70.66142	3.3
70.66459	1.3
75.04484	1.8
79.05499	3.0
81.03403	4.0
81.07041	4.3
82.04184	1.5
85.02909	2.6
91.05472	6.4
93.03391	4.1
93.07030	4.1
95.04955	2.9
95.08617	2.7
97.02894	2.5
97.06517	2.7
103.05424	3.9
105.07014	3.9
106.04160	6.4
107.04942	7.4
107.08562	3.6
109.02815	2.1
109.06509	2.1
109.10147	1.6
110.03665	7.5
111.04430	11.7
116.07093	1.5
117.06950	1.2
119.04921	3.1
119.08641	1.4
121.02843	6.9
121.06487	12.5
121.10057	1.4
123.04398	1.9
125.05970	14.7
125.09634	1.5
127.03935	2.9
129.06985	1.2
131.04919	3.1
131.08575	1.8
133.06499	2.3
135.04408	3.3
137.05974	8.2
147.04449	3.4
149.02354	2.7
149.05991	13.1
151.03888	3.7
151.07510	3.5
153.05475	20.3
153.09082	5.0
159.08089	1.5
161.05952	4.9
163.03883	2.6
163.07526	2.1
165.06969	1.3
165.09155	1.5
167.07053	10.1
175.07500	1.9
177.05444	9.3
181.06470	1.3
181.08562	8.9
184.05159	1.8
191.07007	2.7
193.08554	3.3
195.08049	2.0
197.09660	2.1
207.06451	1.5
209.06050	2.2
209.08073	37.3
210.06799	2.2
211.07500	2.0
212.69928	1.4
221.09502	2.1
222.06912	1.5
223.07452	2.8
223.11224	1.6
224.08224	1.7
225.09026	3.5
227.06992	2.0
234.06618	1.9
235.07460	1.9
237.09146	2.5
238.06207	3.4
238.09889	2.2
239.07014	3.0
239.10808	2.2
240.07774	7.5
241.08487	2.0
249.09056	2.0
251.06966	3.9
252.07863	2.3
253.08557	16.5
253.12274	5.5
254.09366	3.7
255.06610	1.5
255.10153	5.2
257.08112	3.5
265.08719	2.7
266.09515	2.8
267.06580	2.2
267.10211	3.7
269.08066	5.0
270.08875	3.0
270.12613	2.2
277.08603	1.8
279.10294	1.7
281.08066	3.6
281.11761	5.9
283.09741	8.3
284.10413	2.7
285.11151	5.4
285.14822	3.5
288.10480	2.2
295.09637	2.8
296.10535	1.6
297.11346	1.8
298.11877	3.1
299.12897	6.6
300.10260	2.3
309.11072	8.0
310.12155	3.1
312.14304	1.7
313.10684	9.5
313.14392	4.2
327.12271	28.5
328.13010	3.5
331.15274	2.4
337.12119	1.6
338.12289	1.7
339.12830	2.7
340.13528	2.1
341.13791	3.6
359.14859	100.0
369.13855	1.4
370.14539	1.9
371.15082	6.0
372.16492	2.8
461.18744	2.4
481.21426	1.9
493.21777	2.6
586.21033	2.4
602.26532	1.8
634.25220	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	634.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
65.03949	1.0
67.05505	1.6
69.28461	10.5
79.05489	5.7
90.04673	1.2
91.05474	7.5
93.07014	1.7
94.04189	2.6
95.04987	3.6
98.20789	2.1
103.05448	3.6
105.07004	4.5
107.04944	9.2
108.05742	5.7
109.02831	1.3
109.06502	3.4
110.03652	2.2
111.04429	1.2
119.08630	1.1
121.06491	4.6
122.03672	1.4
123.04475	1.5
124.05189	10.9
125.05987	6.8
131.04936	1.3
132.05679	1.5
135.04428	2.8
135.08028	9.9
135.77887	1.0
136.05177	6.1
137.05956	3.6
138.06744	6.3
139.03859	2.1
139.07533	42.7
140.07933	1.2
147.08026	3.3
148.08791	2.0
149.05969	4.3
151.07535	100.0
153.05431	8.7
154.06238	3.5
163.07553	6.7
164.08310	13.2
165.05455	2.7
165.09114	1.5
167.07031	37.1
167.08432	2.2
168.07770	3.0
177.63129	0.9
179.10663	64.6
180.07793	1.9
187.82628	1.2
193.08556	1.5
195.10144	14.4
196.10886	1.8
241.08583	1.2
257.08023	2.4
287.12762	8.3
408.93448	1.1
505.85947	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2486
Annotation	Triptofordin D 1
Peak:m/z	Relative Intensity
55.85025	2.3
59.70039	2.3
68.07269	2.1
77.86720	2.6
84.66859	2.1
98.20666	2.4
118.86255	2.6
119.83962	2.6
138.05583	3.0
172.94049	2.2
223.12285	4.1
237.10258	5.0
239.11964	3.1
249.10333	4.7
251.11783	3.5
277.09708	2.9
305.85114	2.4
405.20630	3.5
416.16180	2.9
431.18866	4.7
433.20343	2.8
445.15851	3.3
451.82559	2.8
458.17361	2.9
460.18805	4.4
461.19821	3.1
474.19284	2.8
489.19125	4.3
501.19067	11.7
505.18381	4.5
515.20819	4.0
516.21460	3.3
547.23523	10.2
575.22748	97.7
576.23260	6.5
577.24231	2.9
603.22357	17.2
607.25671	12.3
607.79114	3.0
635.24927	100.0
635.41315	5.3
636.25470	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	635.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46630	0.9
58.64494	0.8
70.69552	0.9
70.72013	2.7
95.08603	1.3
121.10094	0.9
157.53311	0.9
388.16949	1.1
403.19394	2.7
404.19693	1.0
405.20880	1.1
416.20303	1.7
417.21417	4.0
419.22275	1.8
430.17767	2.1
431.18021	6.0
432.19128	2.0
433.23962	3.3
443.35355	2.6
444.19244	1.5
445.19858	7.6
446.21127	1.8
447.21472	0.9
459.17603	1.5
460.22696	3.5
461.23355	3.7
475.21320	1.0
488.22293	2.8
489.22791	5.7
515.24634	1.8
519.27979	1.4
523.39752	1.7
547.26630	6.2
575.26544	18.8
607.29114	1.7
635.28583	100.0
636.29462	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	635.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.9
53.03941	12.1
55.01846	6.6
55.05265	1.9
55.05506	27.3
57.03428	8.4
57.28169	1.2
57.48198	1.2
61.02919	1.5
62.91777	1.3
65.03932	4.6
67.05497	58.2
69.03425	17.5
69.07060	12.4
71.04983	8.0
71.30248	2.9
73.02885	1.4
73.06548	1.4
77.03910	1.7
79.05484	70.6
81.03409	100.0
81.07046	51.8
81.07526	2.6
83.04967	26.1
83.08611	19.4
85.02420	2.0
85.02893	14.6
85.06529	4.7
91.05470	64.2
92.97522	1.1
93.07037	56.5
95.04954	34.6
95.08598	27.2
95.21073	1.3
97.02882	18.6
97.06513	8.5
97.07042	1.3
97.10147	8.6
99.04448	5.1
99.08060	1.8
105.04488	2.2
105.07020	45.6
107.04938	10.4
107.08581	17.9
109.02876	20.1
109.06517	7.5
109.10138	6.3
111.04425	12.8
111.08065	8.2
115.05442	2.9
117.06996	13.4
119.08565	34.7
121.06490	4.7
121.10125	11.6
122.94106	1.1
123.04401	2.3
123.08074	6.9
123.11687	3.2
125.09603	2.3
127.03901	10.8
128.06227	3.6
129.07002	21.4
130.07782	1.7
131.04918	1.6
131.08583	10.1
133.06493	4.5
133.10112	13.2
135.08083	1.9
135.11676	4.9
137.05946	2.0
137.09567	2.5
141.07043	2.4
142.07809	2.0
143.08530	7.3
145.06461	2.5
145.10089	12.1
147.04410	1.9
147.08044	3.5
147.11664	35.8
149.08516	1.2
149.09631	4.5
149.13188	1.8
153.12729	3.9
155.08504	1.8
156.09262	1.9
157.10106	7.9
159.08067	2.0
159.11710	1.8
161.09645	5.1
161.13217	7.5
163.11208	5.9
165.05449	1.4
165.09143	1.9
165.12782	3.7
171.08041	1.7
171.11661	23.6
173.04469	4.3
173.09541	2.1
173.13161	1.5
175.11188	7.1
177.12709	1.3
181.12183	6.9
189.11221	2.4
189.12767	9.8
191.10684	4.2
193.12228	28.6
207.13776	26.1
209.11667	2.6
211.13251	48.7
225.14824	3.1
227.12569	6.0
245.15575	1.2
267.15881	7.8
269.15378	2.3
273.14786	1.8
281.17453	12.9
283.15491	1.6
285.17020	2.2
287.16269	1.8
301.14359	1.7
337.16458	3.4
351.17935	1.6
355.17508	12.0
381.24173	2.0
389.19363	1.7
399.25162	1.2
411.20230	5.0
447.26993	1.2
469.20294	1.5
473.29056	9.2
491.30121	12.3
581.20502	1.3
599.31104	1.4
617.33081	4.2
635.34186	74.3
636.34564	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	636.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01857	1.9
55.05503	9.7
57.03429	11.2
59.04990	2.7
61.02922	4.4
64.77077	0.7
65.03941	1.7
67.05497	64.7
69.03412	3.2
69.07067	5.0
69.89213	3.9
71.01357	0.8
71.04982	3.8
73.02903	0.8
79.05487	12.3
81.03407	33.7
81.07046	20.5
83.04970	7.8
83.08141	1.1
83.08611	16.4
85.02895	14.6
85.06522	3.2
87.04463	1.0
91.03963	1.4
91.05467	17.1
93.07021	10.8
93.07553	0.9
95.04958	11.8
95.08601	8.7
97.02888	3.3
97.06509	1.9
97.10144	1.8
105.07019	11.9
107.04919	3.9
107.08586	6.0
109.02885	1.0
109.06507	2.6
109.10143	60.1
111.08072	7.4
113.05978	0.7
115.05450	1.2
119.04890	0.8
119.08561	12.1
121.06480	1.8
121.10126	5.0
123.08031	1.2
123.11734	1.7
125.09605	1.4
127.03918	1.8
127.11166	0.9
129.06998	5.3
131.08548	5.3
133.06451	1.1
133.10112	6.2
135.11716	0.7
137.05972	1.0
137.09586	3.2
139.57784	0.7
142.07785	1.4
142.47945	0.6
145.10115	2.1
147.04387	0.8
147.08063	1.6
147.11678	8.9
149.09596	3.3
149.13297	1.0
151.07486	1.0
153.05444	3.1
155.10680	3.2
157.10081	7.7
165.09038	0.8
165.12733	1.6
173.11716	13.8
175.11159	8.8
177.05484	1.8
193.12222	24.2
211.13264	37.2
229.14317	55.2
247.97981	0.8
259.23956	0.7
265.82993	0.6
267.15900	10.4
285.16943	31.9
315.23184	0.7
403.25110	0.9
421.25769	15.8
422.06256	0.7
439.26855	100.0
440.27390	1.6
482.64874	0.8
485.92645	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01855	1.7
55.05508	9.9
57.03181	1.0
57.03435	9.8
57.07064	1.5
59.04991	2.8
61.02926	3.4
65.03938	1.2
67.05497	60.2
69.03426	3.7
69.07066	4.3
69.23360	5.9
71.04977	3.4
72.91660	0.5
73.02898	1.7
79.05480	11.8
81.03408	29.5
81.07046	18.5
83.04967	7.7
83.08607	14.3
85.02419	1.1
85.02893	13.9
85.06513	2.9
91.03948	2.1
91.05472	15.8
91.91237	0.6
93.06465	0.9
93.07033	10.6
95.04958	10.6
95.08591	8.6
97.02896	4.4
97.06512	2.4
97.10154	2.2
98.21456	1.2
98.84045	0.6
99.04429	1.0
99.08087	1.1
105.07017	9.4
107.04934	2.7
107.08590	4.4
109.02831	0.8
109.06506	2.3
109.10142	52.3
111.04434	1.4
111.08061	7.9
113.05999	1.6
115.05441	0.7
117.07003	0.9
119.04977	0.8
119.07779	1.2
119.08562	12.7
119.10843	0.6
121.06488	1.3
121.10104	5.0
122.13180	0.6
123.04417	0.8
123.08067	1.7
123.11751	1.0
125.09586	0.9
127.03870	0.7
129.07028	4.8
131.08574	4.6
133.06516	0.7
133.10117	5.7
135.11615	0.9
137.05992	1.6
137.09598	3.6
142.07767	0.9
145.04924	0.7
145.06427	0.8
145.10144	1.3
147.04396	2.3
147.08028	1.6
147.11646	7.6
149.09552	2.9
149.13261	0.6
151.07561	0.8
151.11075	1.0
155.10686	1.7
157.10129	7.3
163.11192	1.3
165.09076	0.9
165.12691	1.0
166.09315	0.7
167.07083	0.9
173.11728	16.4
175.11165	7.0
177.05469	1.8
193.12222	21.7
195.10313	0.7
211.13274	38.6
229.14323	57.9
230.14711	0.7
239.72990	0.8
256.43649	0.6
259.09726	0.6
267.15887	13.4
267.18579	1.0
280.66818	0.6
285.16940	31.6
319.06195	0.6
403.24670	0.9
421.25732	15.2
439.26862	100.0
440.27026	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	637.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00223	0.5
52.04937	0.6
59.48935	0.7
62.30663	0.6
69.29356	0.6
69.62158	0.6
69.66686	3.1
69.67097	1.1
79.05463	0.7
81.07069	0.8
81.68813	0.6
92.85658	0.5
93.07040	0.7
132.08116	0.6
132.87010	0.6
144.28841	0.6
196.09933	0.7
197.10667	0.7
217.31778	0.6
223.12169	0.9
338.12964	0.7
363.16315	1.1
374.16257	0.7
375.17297	1.0
376.16919	0.9
377.17691	1.9
378.18390	1.2
384.97018	0.6
385.14484	1.3
386.15384	1.4
387.16199	1.0
388.17770	1.5
389.18112	1.3
390.18982	1.2
391.18982	4.0
392.19919	2.3
393.20792	5.1
399.16153	2.3
400.16858	2.4
401.17651	3.9
402.18433	1.1
403.19473	1.1
405.16449	0.8
405.20941	2.3
406.21597	1.4
407.22241	8.0
413.17786	3.9
414.18655	4.1
415.19376	8.6
416.19843	1.8
417.21161	1.3
418.18799	0.9
419.18588	1.9
419.23203	0.8
420.19385	0.9
421.20145	7.1
425.18039	0.8
427.19131	2.8
428.20541	3.0
429.21353	6.6
430.21487	2.4
431.18427	1.6
433.16412	1.3
434.20810	0.7
435.21414	6.2
436.08707	0.7
436.22659	1.1
441.17194	1.9
442.17310	1.0
443.17209	3.0
443.22546	3.6
444.18820	4.8
445.20761	3.9
446.21198	0.9
447.17841	2.7
447.22623	1.6
448.19046	0.8
456.19327	1.4
457.20615	5.2
458.21356	4.8
459.18246	2.4
460.18622	1.1
461.19559	3.4
469.16794	1.7
470.16992	1.4
471.22424	8.5
472.23358	5.2
473.19482	6.3
474.20334	3.6
475.17542	2.0
475.22232	0.9
476.18332	1.2
479.24536	0.7
484.19012	1.7
485.19781	5.3
486.20413	6.9
487.21906	3.0
488.22046	1.2
489.18842	3.0
489.23349	3.2
490.19510	5.9
491.20868	2.6
499.21399	12.4
500.21899	3.5
501.18521	1.1
501.23770	1.1
502.19955	1.8
503.24515	4.3
513.19031	6.9
514.19824	2.5
516.21564	2.7
517.22339	19.8
518.19873	1.3
519.20166	1.7
521.25323	1.9
527.20886	3.5
528.21802	0.9
529.22296	2.6
530.22345	0.8
531.24341	12.9
532.24884	0.8
541.22723	0.9
543.24170	1.2
545.21521	1.1
549.24957	8.0
559.23340	80.3
560.23822	2.9
561.24731	1.1
573.21252	0.8
577.23999	3.0
587.22888	16.8
588.23029	0.7
591.25830	5.6
605.23761	8.2
609.27112	1.2
619.25452	71.5
620.25891	2.7
637.26483	100.0
638.27020	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.265
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
52.78226	0.3
57.34583	0.3
69.57761	2.0
72.14063	0.3
88.92350	0.3
93.06995	0.3
94.06494	0.3
96.05413	0.3
98.21505	0.3
120.08020	0.3
168.08043	0.3
182.09746	0.3
195.09041	0.3
217.00749	0.3
221.10735	0.6
225.02898	0.3
233.10735	0.4
235.12305	0.4
245.10719	0.5
246.11522	0.3
249.10257	0.5
257.10742	0.4
273.13794	0.4
277.12161	0.3
284.11938	0.3
293.54877	0.3
296.48700	0.3
300.14841	0.3
310.13263	0.5
312.15073	0.4
324.14847	0.4
361.15128	0.5
363.15973	0.4
364.16946	0.4
372.14648	0.5
373.14880	0.6
374.16351	0.6
375.16922	0.9
376.17465	0.3
377.17654	1.8
378.18375	1.2
379.19327	0.4
384.14487	0.4
385.14813	0.9
386.15500	1.1
387.16043	1.6
388.17834	1.4
389.18243	0.6
390.18884	0.5
391.15445	0.3
391.19287	2.5
392.19891	1.9
393.20691	2.6
397.15146	0.4
398.15964	0.8
399.16241	2.8
400.16885	3.4
401.17621	4.8
402.18839	1.4
403.19254	1.0
405.16422	0.5
405.21082	0.7
406.21576	0.5
407.22305	3.2
411.16293	0.7
412.17505	0.8
413.17673	4.0
414.13785	0.3
414.18552	5.6
415.19275	11.1
416.15540	0.5
416.20071	1.4
417.21210	1.7
418.18521	0.5
419.18625	0.8
419.23068	0.6
421.20102	2.8
424.17047	0.6
425.17679	1.5
426.18805	0.3
427.19830	2.3
428.20447	4.8
429.21347	8.4
430.16409	0.4
430.22128	2.7
431.18735	1.1
433.16187	0.6
435.21646	2.2
436.22275	0.6
439.19601	0.7
441.16608	2.1
442.17325	2.2
443.18225	4.0
443.22546	4.7
444.18539	5.5
445.20206	2.7
447.18219	1.6
448.18954	0.7
449.19531	0.4
455.18579	1.0
456.19931	1.9
457.20581	6.4
458.21036	4.3
459.17352	0.4
459.21832	1.2
460.18890	0.4
461.19925	1.1
462.20126	0.6
463.20599	0.4
469.16672	1.0
470.16980	0.8
471.22260	8.6
472.23148	6.0
473.19348	5.1
474.20624	1.7
475.21277	1.0
484.18741	1.1
485.19821	3.5
486.20435	7.1
487.21210	3.1
488.21945	1.2
489.17831	0.4
489.23029	1.2
490.19534	3.1
491.20749	1.0
498.20560	0.7
499.21301	10.9
500.22745	3.5
501.22598	1.0
502.20206	1.0
503.24863	4.7
513.19086	1.8
514.19757	1.1
515.20337	0.4
516.21545	1.8
517.22296	4.6
521.25378	0.7
527.20880	2.7
528.21393	1.7
529.22302	0.4
530.22937	0.7
531.23962	13.7
532.23859	0.5
541.22131	0.6
543.23737	1.5
544.20905	0.6
545.21887	1.1
549.24860	1.6
559.23370	98.6
560.23621	4.0
577.25665	0.4
587.22839	16.8
588.23187	0.6
591.25983	0.5
605.23969	0.9
619.25458	100.0
620.25647	3.5
637.26465	10.9
637.42432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20353	0.8
57.62075	0.9
60.37080	0.7
69.88490	5.0
102.15087	0.9
112.19846	1.0
121.03714	0.8
190.69400	0.8
266.00266	0.9
377.17770	1.7
388.17230	1.0
389.19012	1.6
390.18793	1.5
391.19092	2.9
392.19836	2.0
399.16156	1.4
400.16983	1.2
401.17371	2.0
403.19641	1.1
404.20828	2.3
405.20779	6.1
406.21405	6.4
413.17935	1.9
414.18442	3.4
415.19315	5.0
416.20267	1.3
417.21167	1.6
419.22302	4.0
420.23068	5.5
421.23831	10.3
427.19543	1.6
428.20044	4.4
429.20804	12.9
430.21567	3.5
431.22818	1.8
433.19598	1.7
433.24582	1.6
434.24539	2.4
442.22040	1.4
443.22455	9.6
444.23389	6.8
445.20029	4.1
447.17633	2.0
455.18588	1.0
457.19766	2.8
457.24725	2.3
458.24960	8.3
459.21945	10.0
460.22638	6.2
461.19421	9.6
470.20969	1.9
471.22095	2.0
472.22525	7.4
473.18665	1.4
473.24100	2.3
475.20798	4.2
476.21762	7.9
477.22189	1.0
484.18637	1.0
485.23541	18.4
486.19431	1.7
486.25186	4.9
487.21490	3.1
488.21976	5.1
489.22787	1.1
490.23779	1.6
491.24246	1.7
499.21091	1.4
500.21875	2.3
502.23883	2.2
503.24347	23.1
504.24805	1.7
513.22845	3.3
514.23505	2.4
517.25879	11.1
529.25977	1.9
535.26978	29.7
536.27246	2.4
545.25385	82.8
546.25665	7.0
548.11639	0.9
549.24902	1.4
563.26526	6.4
573.24884	20.6
574.25281	2.1
577.27826	1.6
578.28613	2.0
605.17529	2.1
605.27545	71.9
606.27966	5.8
637.30121	100.0
638.30658	7.9
646.22314	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.01865	2.6
55.05498	3.7
57.03436	18.3
57.07071	26.4
61.02922	58.2
67.05496	9.3
69.03424	21.8
69.07076	6.4
70.78393	3.1
71.01336	4.6
71.04989	2.4
71.08624	17.8
73.02909	18.6
75.04471	2.1
75.73826	0.9
79.05489	2.0
81.03416	16.8
81.07049	11.8
81.53592	1.0
83.04963	3.0
83.08611	11.0
85.02897	70.9
85.10186	8.1
86.86466	0.9
87.04460	1.9
91.03947	40.3
93.07077	1.4
95.04951	1.3
95.08601	15.0
97.02886	58.8
97.10168	2.8
98.27103	1.1
99.04447	9.9
99.11708	1.6
101.02375	5.4
103.03944	8.7
109.02876	11.6
109.10144	6.8
111.00784	1.1
111.04391	1.5
111.11697	1.1
115.03932	6.0
117.05494	2.5
119.08631	0.9
120.52489	0.9
123.04463	1.1
123.11691	3.6
125.13294	1.0
127.03912	28.4
129.05461	2.9
137.13257	1.6
145.04953	17.0
155.07011	1.0
159.06526	1.9
163.05983	4.7
167.36879	1.3
171.06508	1.7
183.06555	11.1
201.07555	8.5
221.22758	1.6
239.23679	18.5
245.90813	1.0
257.24701	3.2
313.27341	100.0
314.27582	1.8
341.27002	4.5
355.28448	2.5
367.27991	1.7
383.27914	1.9
385.29526	2.7
397.29144	1.3
439.30789	2.1
457.31641	12.2
475.32684	1.8
522.29510	1.0
571.75305	1.0
637.37415	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2803
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
50.99676	0.5
52.86345	0.5
70.97301	0.9
70.97657	0.7
77.62905	0.5
113.38188	0.6
152.74524	0.4
211.23257	0.5
213.13960	0.5
235.12180	0.5
314.16663	0.7
375.16220	1.0
376.16888	0.8
377.17572	2.1
378.18793	0.8
389.17917	1.1
390.18637	1.2
391.19086	5.7
392.20050	2.9
403.19333	1.2
404.20151	1.8
405.20645	7.9
406.21317	5.1
407.22299	11.7
408.23050	0.8
417.21002	1.0
418.17477	0.6
419.22516	4.0
420.23013	4.2
421.17395	0.9
421.23785	15.3
422.17603	0.8
422.24655	3.9
431.18402	0.9
432.19119	0.7
433.24243	3.5
434.24500	1.7
435.18372	1.8
435.25351	0.8
436.18893	2.2
437.19785	0.9
445.20160	1.6
447.25522	1.5
448.26578	0.7
449.19272	0.9
450.20740	1.6
451.21164	13.8
452.21951	4.1
459.21814	0.8
460.22678	0.6
461.23422	2.1
463.21497	1.1
464.22104	1.5
465.22812	17.9
466.23190	2.0
473.19736	1.4
475.20468	1.0
475.25717	1.2
477.22812	0.9
478.23792	1.0
479.24213	2.0
487.21512	1.9
488.22134	2.2
489.22739	1.4
491.20056	2.5
492.21121	1.0
493.25723	1.7
501.22827	1.6
502.23700	1.1
503.24380	13.8
504.24811	2.9
505.22888	0.7
507.27539	11.2
508.28354	3.4
519.23535	1.2
520.24774	0.6
523.23285	3.2
533.25446	1.2
535.26959	16.6
536.27405	1.9
537.24829	9.0
538.25226	0.7
547.22900	1.0
551.26489	6.0
552.27209	23.9
553.27417	1.4
561.24884	4.3
579.25946	12.4
580.26404	5.6
593.28149	1.3
595.29095	7.2
596.29486	0.6
621.27014	21.6
622.27197	1.8
639.28033	100.0
640.28357	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	639.2805
Annotation	Moluccensin G
Peak:m/z	Relative Intensity
50.60215	0.9
71.95699	1.0
76.99265	1.1
81.98374	1.0
98.20695	2.3
116.10224	1.0
118.95988	0.9
128.69908	0.9
160.62201	1.0
258.48483	0.9
267.14835	1.8
430.17590	1.2
432.22852	2.2
433.23865	2.4
435.17889	1.1
445.20227	3.0
459.21689	11.9
460.22269	3.2
461.23474	1.7
492.21219	1.7
493.80640	1.1
502.19559	2.3
506.22678	1.4
519.23877	1.6
520.20557	2.3
523.23352	2.4
536.23871	1.1
546.26196	1.6
547.26996	3.6
551.26270	4.2
553.14105	1.2
553.23224	1.5
561.25531	2.4
563.25787	1.6
565.24225	1.7
575.22784	2.6
579.25958	10.7
580.26312	2.9
589.23969	2.1
593.24255	2.8
596.25781	6.1
597.27277	2.5
606.28320	100.0
607.25549	30.4
608.26794	3.6
610.26660	3.5
611.28479	18.0
612.28351	1.6
621.26935	7.7
622.27301	7.3
624.25317	3.6
639.27881	75.4
640.28339	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	639.2804
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.73413	0.3
55.05499	0.5
67.05505	0.6
69.07048	0.5
71.24567	0.4
71.24913	0.5
79.05476	0.8
81.07059	0.5
91.05474	0.7
93.07038	0.7
95.04974	0.4
95.08613	0.4
98.21232	0.3
105.07023	0.7
107.08582	0.3
109.06638	0.3
124.55725	0.3
130.80742	0.3
204.06647	0.4
211.08656	0.3
225.10307	0.4
237.10312	0.4
239.11847	0.6
249.10307	0.6
251.11652	0.5
261.93091	0.3
299.14557	0.4
302.13013	0.4
314.13068	0.5
328.14294	0.4
363.16000	0.5
391.15341	0.8
392.16364	0.8
393.16953	1.1
393.21072	0.8
403.15262	0.4
405.17200	1.0
406.18140	1.0
407.18530	2.3
408.19785	0.4
409.20349	0.5
417.17307	0.3
419.14465	0.7
419.19150	0.6
420.15051	0.6
420.19797	0.7
421.20468	5.4
422.20920	1.3
423.21686	0.6
431.19119	0.5
432.19595	0.5
433.16049	0.9
433.20349	1.2
434.16672	1.9
435.18121	2.6
435.22540	1.1
436.23032	2.1
437.23349	0.5
445.16144	0.7
446.16730	0.4
447.17404	0.7
447.22263	1.2
448.18567	2.1
449.19739	9.6
449.25711	0.5
450.20432	3.3
451.21350	0.8
459.17896	0.9
460.18732	0.5
461.19629	1.9
462.20782	0.6
463.21558	5.5
464.22000	5.6
465.22488	1.6
473.19019	0.5
474.20477	1.0
475.21674	1.8
476.22366	0.5
477.18820	5.9
478.19638	2.3
479.20850	1.0
491.19971	1.5
492.21658	0.9
493.22284	1.0
495.24207	0.6
504.21475	0.4
505.21918	1.0
507.23969	1.3
509.23837	0.3
519.24170	0.7
521.21826	1.0
523.22864	2.3
533.21808	1.3
535.23566	4.1
536.23694	1.9
537.20551	1.5
547.23474	0.6
549.21320	0.6
550.25629	1.0
551.26508	2.1
561.24951	3.4
562.24683	0.6
563.23163	0.4
564.23608	4.2
565.24359	2.7
567.25354	0.5
579.25958	7.2
580.25922	0.4
581.24017	0.8
595.25641	2.7
596.26495	1.2
597.27728	0.4
607.25305	0.8
610.28375	0.7
611.28259	0.4
621.27118	3.9
622.27075	0.7
624.25696	5.5
625.25391	0.7
639.28052	100.0
640.28326	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	639.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40301	0.5
53.03938	6.2
55.01864	5.6
55.05502	18.8
57.03430	9.4
59.04996	0.8
65.03921	2.2
67.05495	23.0
69.03416	15.3
69.06721	0.6
69.07059	6.6
69.36642	5.8
71.01353	0.9
71.04980	6.4
73.02925	1.0
79.05005	0.8
79.05479	25.7
81.03406	100.0
81.07043	29.0
82.03728	0.8
83.01336	1.0
83.04970	19.6
83.08607	22.4
84.36291	0.6
85.02893	22.7
85.06538	2.0
87.04436	0.8
91.05470	30.9
93.06565	0.4
93.07023	19.4
95.04954	29.7
95.08585	10.5
97.02877	14.9
97.06507	5.3
97.10153	6.8
98.59476	0.6
99.02501	0.6
99.04442	4.7
99.08080	1.4
101.02363	0.8
103.03947	0.9
103.05431	0.8
105.07017	21.9
107.04943	7.8
107.08586	9.6
109.02864	18.2
109.06504	6.3
109.10156	5.1
111.04430	13.5
111.08065	11.1
113.06019	2.2
115.05430	1.3
117.07005	3.8
119.04907	1.0
119.08563	21.2
121.06504	3.9
121.10129	9.9
123.04396	1.9
123.08052	2.7
123.08875	0.6
123.11684	3.2
125.05963	1.4
125.09621	4.6
127.03915	8.8
127.07553	0.9
128.06200	1.0
129.05481	1.7
129.06992	11.5
131.04918	1.2
131.08536	13.3
133.06485	3.8
133.10115	8.4
135.08072	1.6
135.11681	2.5
137.05940	2.1
137.09624	2.1
141.06917	0.9
142.07777	2.9
143.08572	1.0
145.02827	0.8
145.06470	1.4
145.10094	3.9
147.04407	2.0
147.08060	4.0
147.11662	19.0
149.05992	1.3
149.09593	6.9
149.13272	1.3
153.12766	3.4
157.10110	13.4
159.11647	0.9
161.05978	1.4
163.11201	5.1
165.12720	4.7
171.11656	1.4
173.04478	1.8
173.09596	1.4
175.07594	0.7
175.11162	13.3
175.12556	1.1
177.05545	2.2
177.12694	0.6
179.07004	0.7
181.10115	0.7
181.12242	3.2
185.13264	0.7
187.07600	0.7
189.05553	0.7
189.09273	0.6
189.11227	1.7
189.12755	0.7
191.10710	3.3
193.12216	47.4
195.13702	0.9
205.12215	1.2
209.11684	1.2
211.13255	71.7
212.13660	0.7
213.14807	0.8
223.13301	1.1
227.12746	6.8
229.12325	0.6
229.14410	2.0
233.15324	1.2
235.13237	1.9
237.12704	0.9
249.14850	2.0
255.13725	1.2
259.13379	0.9
265.14417	1.0
267.13007	1.0
267.15875	19.9
273.14874	2.4
277.14294	1.6
283.15430	2.8
285.16931	11.7
289.14362	1.4
291.15915	0.7
301.14105	4.8
309.17041	1.5
313.16455	1.4
313.65399	0.7
319.15390	1.1
337.16348	3.3
349.21683	0.7
355.17502	7.5
357.24307	1.1
367.22681	1.9
375.17950	1.7
378.75943	0.6
385.23569	3.7
393.18988	3.5
403.24759	1.2
411.20074	7.2
429.21539	2.9
435.28979	0.6
459.27271	9.2
477.28314	9.8
493.26782	1.0
495.29465	14.1
501.28214	0.8
511.28687	1.7
519.29858	1.3
555.29718	0.8
561.30304	1.2
568.08728	0.7
573.30231	1.5
585.30341	3.4
603.31763	2.3
621.32446	8.6
639.33673	43.2
640.33807	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.3
55.01868	6.8
55.05265	1.5
55.05509	17.8
57.03432	9.2
65.03943	2.6
67.05502	26.3
69.03426	14.1
69.07062	9.9
69.90427	6.4
70.19832	0.9
71.04982	7.0
73.02895	1.3
77.03902	1.1
79.05487	24.8
81.03410	100.0
81.07053	29.1
83.04980	22.7
83.08613	20.7
85.02903	23.9
85.06555	2.8
91.05478	32.0
93.07041	20.1
95.04961	27.6
95.08603	13.1
97.02889	12.9
97.06513	6.5
97.10162	7.0
99.04453	5.5
99.08080	2.0
103.05490	1.8
105.07018	22.1
107.04955	9.1
107.08586	9.2
109.02877	17.6
109.06537	5.1
109.10140	5.8
111.04442	12.9
111.08051	9.8
113.06007	1.7
113.24486	1.1
113.78991	1.0
115.05440	2.5
117.07006	5.5
119.04919	1.9
119.08575	21.9
121.06513	4.1
121.10135	12.6
123.04426	3.1
123.08099	3.5
123.11715	3.9
125.06025	1.5
125.09656	4.1
127.03905	11.0
129.05476	2.5
129.06990	10.8
131.04938	2.0
131.08534	10.5
133.06494	4.0
133.10117	10.2
135.08096	1.5
135.11681	4.0
137.06006	3.0
137.09618	2.8
137.13371	1.5
139.03825	1.0
139.07603	1.0
142.07777	3.8
143.08556	1.6
145.04933	1.2
145.06477	1.9
145.10120	5.4
147.04422	2.8
147.08047	3.6
147.11682	16.5
149.05923	1.6
149.09602	6.4
149.13228	1.3
151.07584	1.5
153.09128	1.0
153.12721	2.7
155.08481	1.5
157.06439	1.3
157.10120	11.7
159.08029	2.0
159.11688	1.7
161.06027	2.0
163.11188	3.9
165.05484	2.0
165.12767	7.3
167.07004	2.1
171.11676	1.9
173.09666	1.5
175.11183	12.7
177.05502	1.9
181.12268	3.8
189.05359	1.1
189.11232	2.4
191.10706	2.4
193.10437	2.4
193.12227	44.0
203.14247	1.2
207.06529	1.6
209.11653	2.0
210.73209	1.0
211.13261	70.7
227.12846	4.4
229.14319	2.7
231.13821	1.8
249.14854	1.5
267.15887	20.7
273.14874	2.9
285.16925	12.2
301.14349	3.8
309.16934	1.2
319.15536	2.5
337.16422	2.5
355.17429	6.9
367.22839	1.8
375.18253	2.0
385.23712	3.5
393.19016	2.6
411.20071	5.9
429.21292	2.5
459.27341	7.9
477.28543	9.6
495.29367	11.3
501.28650	1.1
511.29391	1.8
561.30682	1.1
585.30847	2.2
600.80804	1.2
603.31598	1.4
608.86053	1.1
621.32550	6.7
624.33466	1.1
639.33698	43.3
664.97339	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53054	2.2
53.03926	9.3
55.01859	6.7
55.05503	23.6
56.64797	2.3
57.03421	7.9
57.07073	3.7
57.45118	2.4
65.03926	3.4
67.05168	3.7
67.05495	38.1
69.03429	16.1
69.07058	25.5
71.01349	3.3
71.04974	8.6
71.52838	2.8
71.53269	4.0
72.37003	2.5
77.72761	2.3
79.05482	36.5
81.03409	100.0
81.07048	60.4
83.04970	23.3
83.08614	23.6
85.02898	18.6
85.06523	6.6
91.05468	41.1
93.07035	37.6
95.04953	29.0
95.08597	35.7
97.02885	17.2
97.06534	13.9
97.10156	16.9
99.04463	4.7
99.08063	4.3
100.24989	2.5
105.07024	31.4
105.35044	2.5
107.04978	12.0
107.08572	25.9
109.02869	23.3
109.06502	10.8
109.10148	15.8
111.04388	13.4
111.08050	11.9
111.11710	4.1
117.06982	7.7
119.04918	3.7
119.08567	27.1
121.06477	9.3
121.10131	20.3
122.10410	2.6
123.04414	6.5
123.08038	5.1
123.11682	17.3
125.05976	2.4
125.09615	6.3
127.03878	13.9
129.06966	11.3
131.04921	4.7
131.08580	14.1
133.06436	5.4
133.10129	18.3
135.08092	2.6
135.11691	12.3
137.05925	11.9
137.09616	4.1
137.13239	4.4
139.11130	7.6
143.08522	3.7
145.02823	6.6
145.06468	3.7
145.10089	9.9
147.04411	6.3
147.08020	4.8
147.11691	23.2
149.05931	5.2
149.09608	8.3
149.13246	8.3
151.07523	4.7
153.12790	3.4
157.06522	6.3
157.10152	12.7
157.12265	3.9
159.08096	2.3
159.11633	7.8
161.05984	2.9
161.13258	2.6
163.07506	3.1
163.11143	6.6
165.05464	9.6
165.09076	5.8
165.12708	5.2
167.07018	3.7
171.11641	3.7
173.04419	5.4
173.05869	3.2
173.09523	2.6
175.07574	5.6
175.11145	13.3
177.05432	11.4
179.07034	2.6
181.04953	4.4
181.12277	3.6
189.11137	3.4
189.12694	3.2
191.06909	4.1
191.10605	5.1
193.12201	39.1
203.17984	4.4
207.06514	4.1
211.13252	52.1
212.13435	2.3
217.08572	4.8
227.12729	4.0
229.14340	3.4
231.13811	4.6
245.08084	6.0
263.09232	2.9
267.15833	24.0
273.14880	3.6
285.16919	12.6
301.14194	4.3
305.24667	8.4
309.16891	2.4
319.15210	2.8
355.17413	7.6
385.23676	3.4
388.45486	2.5
389.26791	3.0
411.19879	5.9
413.26465	4.4
429.20883	3.7
431.27805	10.7
449.28812	9.4
459.27200	9.6
460.27805	2.8
477.28293	13.2
495.29538	8.5
585.30011	3.2
603.31799	2.6
621.32373	7.1
639.33038	32.6
639.42151	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1706
Annotation	Quercetin 7-methyl ether 3-gentiobioside
Peak:m/z	Relative Intensity
53.03925	0.6
55.01859	0.5
56.05354	0.3
57.03415	1.0
61.02929	1.6
64.12267	0.3
69.03131	0.3
69.03426	3.2
69.64756	2.3
71.04969	0.9
73.02898	0.6
73.56457	0.3
81.03406	1.5
85.02902	14.3
91.03934	0.5
92.02601	1.0
93.03378	0.5
97.02877	4.5
99.04424	0.6
109.02873	1.5
121.02847	0.8
126.03105	0.3
127.03919	3.1
137.02330	0.5
137.05949	0.5
139.03871	1.3
145.04953	3.0
151.03885	0.9
153.01804	6.7
161.06010	0.4
163.03966	0.5
163.06021	0.8
165.01851	0.5
177.05444	0.7
201.05557	0.4
203.03433	0.5
217.04916	0.6
223.95140	0.3
228.04175	0.9
229.04929	2.8
231.02917	0.6
245.04546	0.9
246.05261	1.8
256.03568	0.5
257.04364	1.8
273.03836	1.5
274.04630	3.4
284.03217	0.5
285.03909	4.0
287.05240	0.4
302.04172	11.3
303.04730	0.6
317.06531	100.0
318.06894	1.7
329.06604	0.8
333.06213	2.3
359.07516	1.9
383.07538	0.7
422.34015	0.4
479.11725	0.7
604.97284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1709
Annotation	Patuletin 3-O-rutinoside
Peak:m/z	Relative Intensity
53.03934	0.5
55.01849	0.3
55.05515	0.4
57.03426	1.5
61.02903	0.4
61.34089	0.3
69.03423	1.6
69.07037	0.4
71.04989	11.7
71.53260	0.7
73.02906	0.4
75.04474	0.6
81.03407	0.9
81.07030	0.5
83.04961	0.6
84.12781	0.3
85.02901	14.8
87.04456	0.4
89.03901	0.6
91.05481	0.8
93.03404	0.7
93.07027	0.4
95.08593	0.4
97.02905	1.8
99.04482	0.5
109.02872	1.1
109.10185	0.4
111.00857	0.4
111.04453	0.4
117.03358	0.7
119.04917	0.6
119.08638	0.4
121.02866	0.7
121.10173	0.4
123.04440	0.7
127.03895	1.1
129.05475	3.9
137.02397	0.7
137.05962	1.4
138.91695	0.3
145.02815	2.2
145.04994	1.1
145.10013	0.5
147.04416	0.8
147.06485	1.0
149.06032	0.5
149.64116	0.3
151.03894	1.3
153.01799	1.1
155.03369	0.8
163.04062	0.3
167.06978	0.5
169.01302	5.4
175.03905	1.2
177.05453	4.8
185.60881	0.4
186.01553	0.5
207.06544	1.5
216.04004	0.3
217.04987	1.1
234.04997	0.4
244.03700	0.9
245.04431	1.8
261.03949	0.8
261.22098	0.3
262.04474	0.8
271.06052	0.7
273.03903	1.9
287.05463	0.5
289.03452	0.9
290.04120	2.8
301.03403	4.3
301.86157	0.4
302.04160	1.0
303.05035	2.2
304.05667	0.5
312.54105	0.4
313.62772	0.4
315.04874	0.4
317.06546	3.7
318.03671	9.5
319.04132	0.5
333.06024	100.0
334.06372	2.5
430.18695	0.4
455.22775	0.4
593.77496	0.4
598.42786	0.4
641.22955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2961
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
53.98011	0.8
55.01861	2.4
55.05498	2.0
67.05505	5.0
69.07052	3.1
70.19733	1.1
70.20063	3.8
71.05003	1.2
79.05482	4.1
81.03442	1.3
81.07058	4.7
83.08627	1.4
91.05470	4.1
93.07050	4.5
95.04970	2.1
95.08595	3.6
97.06548	2.0
97.14915	1.0
105.07028	2.8
107.04941	1.4
107.08586	2.8
109.10156	2.0
117.07004	2.3
119.08594	2.7
121.10126	1.4
131.08545	2.4
133.10162	2.4
135.07947	0.9
137.09567	1.3
143.08540	1.3
145.10071	1.3
147.11693	1.3
149.09608	2.1
159.07962	0.9
159.11691	1.5
169.10229	1.1
178.65314	0.9
210.11452	1.8
224.13054	1.6
225.13899	2.0
227.11908	1.5
239.15326	1.0
257.19086	1.2
275.20142	2.3
289.18097	1.2
313.15921	1.2
318.16205	1.2
349.23587	2.4
375.19629	1.4
384.17010	2.2
385.17627	1.0
392.19421	1.6
393.20422	1.1
402.18069	1.2
403.19211	2.5
404.19745	1.5
405.20883	1.6
406.21228	3.0
407.22186	4.3
412.16797	1.5
415.19196	2.7
416.19824	3.1
417.20813	3.3
418.21527	2.8
419.22031	2.2
420.23239	1.9
421.23892	5.0
422.24356	7.1
426.18185	1.8
429.20618	3.7
430.21729	1.7
431.22083	3.0
432.23373	1.6
433.24329	5.4
434.24545	6.9
435.21564	1.7
443.22723	1.6
444.18948	2.7
445.19147	1.5
445.24084	3.5
447.26031	2.1
448.18948	1.7
458.20560	1.6
459.21613	3.0
460.22443	3.5
461.19781	1.9
462.20358	2.9
463.21286	1.8
472.22385	2.0
473.23395	4.6
474.24072	3.5
475.21298	4.3
476.22067	2.1
477.22894	16.6
485.23013	1.3
487.24750	5.5
489.23068	1.4
491.24292	4.1
503.24344	2.2
505.25940	3.8
505.57980	1.0
506.26434	2.1
515.24457	1.0
517.21698	1.2
519.27612	1.6
531.23621	1.0
532.24353	1.4
533.23560	0.9
535.23297	2.9
536.24847	1.0
545.25580	8.1
546.26379	1.2
547.27112	14.1
549.25024	9.3
550.25623	16.8
563.26508	2.0
564.27130	3.6
565.27887	1.3
577.27490	1.5
579.29602	9.2
591.26044	13.4
605.27563	19.8
609.27295	9.2
623.28595	100.0
624.29138	6.6
641.29877	6.6
641.43170	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
55.05508	1.2
56.16531	0.4
57.07087	0.4
67.05499	2.7
67.56416	0.4
69.07048	1.0
71.53268	0.8
75.08242	0.4
79.05485	2.1
81.03405	0.5
81.07047	2.2
83.08624	0.8
91.05470	1.4
93.07042	1.9
95.08601	1.5
97.06499	0.5
97.10168	0.7
102.35530	0.5
105.07018	1.7
107.04970	0.7
107.08589	1.4
109.06583	0.5
109.10169	1.2
114.39193	0.4
117.06999	0.5
119.08600	1.2
131.08554	0.8
133.10219	1.0
135.11665	0.6
145.10139	1.2
149.09628	0.6
151.07556	0.8
157.10210	0.5
159.11794	0.5
161.13254	0.5
165.09122	0.5
179.14302	0.5
227.12781	0.5
250.27910	0.4
258.91467	0.5
275.19980	2.2
291.18475	0.5
349.23758	0.9
377.17856	0.7
379.19421	0.9
391.19556	0.9
392.20291	0.6
393.20938	2.5
405.17108	1.6
405.21497	0.7
406.17755	1.3
406.22382	0.5
407.17743	0.7
407.22711	3.9
408.23447	0.7
418.17822	0.6
419.18414	2.5
420.19412	1.8
421.20313	4.2
422.21027	0.9
423.21823	1.3
432.19760	0.5
433.20200	4.9
434.21082	3.5
435.22028	6.8
436.22421	1.6
440.62918	0.5
447.21774	1.5
448.23035	1.0
449.19516	8.2
461.23633	0.7
462.20639	0.9
463.21100	2.8
464.22034	1.2
465.18927	0.6
476.22119	0.5
479.20840	0.7
481.22189	1.4
493.22144	2.2
494.23083	3.1
495.23816	3.5
507.23676	1.6
521.25610	9.0
522.25952	0.8
523.26978	1.4
539.22980	1.1
549.25543	0.6
553.23877	1.0
563.25769	0.6
580.26318	0.5
581.27618	18.7
582.27930	1.4
609.27667	0.6
623.25903	0.5
623.43359	0.9
641.29608	100.0
642.29510	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	641.2961
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.01874	0.6
55.05508	1.2
56.16531	0.4
57.07087	0.4
67.05499	2.7
67.56416	0.4
69.07048	1.0
71.53268	0.8
75.08242	0.4
79.05485	2.1
81.03405	0.5
81.07047	2.2
83.08624	0.8
91.05470	1.4
93.07042	1.9
95.08601	1.5
97.06499	0.5
97.10168	0.7
102.35530	0.5
105.07018	1.7
107.04970	0.7
107.08589	1.4
109.06583	0.5
109.10169	1.2
114.39193	0.4
117.06999	0.5
119.08600	1.2
131.08554	0.8
133.10219	1.0
135.11665	0.6
145.10139	1.2
149.09628	0.6
151.07556	0.8
157.10210	0.5
159.11794	0.5
161.13254	0.5
165.09122	0.5
179.14302	0.5
227.12781	0.5
250.27910	0.4
258.91467	0.5
275.19980	2.2
291.18475	0.5
349.23758	0.9
377.17856	0.7
379.19421	0.9
391.19556	0.9
392.20291	0.6
393.20938	2.5
405.17108	1.6
405.21497	0.7
406.17755	1.3
406.22382	0.5
407.17743	0.7
407.22711	3.9
408.23447	0.7
418.17822	0.6
419.18414	2.5
420.19412	1.8
421.20313	4.2
422.21027	0.9
423.21823	1.3
432.19760	0.5
433.20200	4.9
434.21082	3.5
435.22028	6.8
436.22421	1.6
440.62918	0.5
447.21774	1.5
448.23035	1.0
449.19516	8.2
461.23633	0.7
462.20639	0.9
463.21100	2.8
464.22034	1.2
465.18927	0.6
476.22119	0.5
479.20840	0.7
481.22189	1.4
493.22144	2.2
494.23083	3.1
495.23816	3.5
507.23676	1.6
521.25610	9.0
522.25952	0.8
523.26978	1.4
539.22980	1.1
549.25543	0.6
553.23877	1.0
563.25769	0.6
580.26318	0.5
581.27618	18.7
582.27930	1.4
609.27667	0.6
623.25903	0.5
623.43359	0.9
641.29608	100.0
642.29510	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	641.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.9
55.01863	4.7
55.05506	26.4
57.03423	3.9
57.07059	2.8
65.03928	4.0
67.05496	37.1
69.03419	18.6
69.07061	37.8
71.04975	7.6
71.08611	3.2
71.52312	2.5
73.02904	4.0
79.05478	25.5
81.03401	29.8
81.07048	92.1
81.07529	5.2
81.98836	2.4
83.04957	6.2
83.08602	11.0
83.28953	2.8
85.02892	19.2
85.06528	8.4
91.05451	19.2
91.10720	2.3
93.07031	41.6
95.04979	14.8
95.08597	100.0
97.02872	13.7
97.06504	10.9
97.10152	17.9
99.04450	4.2
99.08066	5.5
103.03966	3.3
103.05474	2.8
105.07011	29.0
107.04943	8.9
107.08576	47.8
109.02865	10.5
109.06492	8.4
109.09462	4.6
109.10146	56.8
111.04444	10.6
111.08069	16.0
111.11710	7.7
113.06038	3.2
115.05433	3.5
117.07014	7.9
119.04940	6.6
119.08569	25.9
121.06477	9.3
121.10152	29.0
123.04381	5.6
123.08034	6.5
123.11696	29.2
125.09653	7.0
125.13207	3.5
127.03913	13.5
127.07477	3.5
128.06223	3.1
129.05467	3.4
129.06976	3.2
131.04906	5.7
131.08566	9.5
133.06458	6.3
133.10112	21.2
133.78508	2.2
135.08043	5.4
135.11674	21.8
137.05960	9.6
137.09590	5.7
137.13229	9.4
139.11166	8.7
141.07027	2.3
142.02701	3.0
143.08560	6.4
145.06436	8.6
145.10121	15.5
147.04414	8.3
147.08049	4.8
147.11681	15.0
149.05927	4.2
149.09589	6.9
149.13246	31.2
151.07491	4.5
151.11172	6.8
151.14799	9.8
155.08511	6.1
157.10159	5.2
159.08066	3.7
159.11646	17.0
161.05963	7.5
161.09636	4.9
161.13228	16.4
163.03894	3.7
163.11227	5.0
163.14844	12.4
165.05467	9.7
165.09076	9.5
165.16437	2.9
167.07047	27.4
169.10158	4.1
171.11674	5.8
173.05951	7.3
173.13239	12.3
175.07509	4.0
175.11148	5.2
175.14809	10.0
176.57375	2.5
177.05490	8.3
177.09067	4.1
177.12766	2.7
177.16330	3.9
179.07048	3.3
179.14143	3.4
181.04915	39.1
185.09682	2.6
187.14769	4.8
189.09105	3.3
189.12808	3.0
189.16423	7.3
191.07001	3.6
191.14311	4.5
191.17947	8.3
193.05040	2.4
193.12173	4.4
199.14857	3.1
201.16373	6.5
203.07047	3.0
203.17990	6.2
207.06535	4.8
211.13075	3.1
213.12773	2.7
215.17940	5.5
217.08495	5.7
221.08015	2.8
233.08078	7.0
233.19034	3.1
245.08076	9.3
263.09128	10.9
271.24164	5.9
287.23663	5.9
289.25232	11.0
296.92120	2.4
305.24942	3.9
307.26187	7.6
313.25369	3.4
319.26199	4.2
331.26199	5.6
335.85468	2.5
359.11118	3.1
379.26239	3.0
385.12784	10.0
385.27301	4.6
386.13504	2.8
397.27417	11.5
403.28125	3.8
415.28354	25.1
416.14505	6.3
417.15314	5.2
421.29211	3.6
433.29568	39.7
451.30603	24.3
469.31750	3.0
641.21661	12.6
641.31537	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01863	2.3
55.05502	6.2
57.03427	1.4
61.02909	2.1
64.44629	1.2
67.05499	16.2
69.07062	8.6
70.02904	2.5
70.03302	2.5
71.04980	2.0
79.05479	13.7
81.07055	15.2
83.04965	1.5
83.08604	4.4
85.02873	2.3
85.06545	1.8
87.24344	1.3
91.05473	18.3
93.07049	14.1
95.04978	3.7
95.08597	10.3
97.06551	2.2
97.10201	1.6
105.07021	17.9
107.04904	2.7
107.08611	6.5
109.06509	2.9
109.10168	4.7
116.49480	1.0
117.07000	8.4
119.08573	12.7
121.06467	2.4
121.10149	4.6
123.08092	1.6
129.06996	4.1
131.08560	15.3
133.10112	6.5
135.04408	1.6
135.08061	1.9
135.11661	3.7
137.09608	1.6
141.06975	2.4
143.08531	7.3
145.06494	1.1
145.10089	9.1
147.08035	2.4
147.11681	2.9
149.09633	2.2
151.07549	1.5
151.11104	1.4
155.08554	2.6
157.10072	3.8
159.11629	3.9
161.09605	1.3
161.13275	1.6
167.08514	2.1
169.10086	2.1
171.11678	4.3
173.13243	2.8
175.11180	1.5
181.10091	2.3
183.11678	2.9
185.13271	2.5
197.13313	2.0
199.14722	1.5
201.12788	1.5
202.16650	1.1
252.64812	1.7
261.18588	1.5
275.20224	1.9
296.77747	1.2
325.25568	1.1
343.26337	2.0
353.24689	4.3
371.25558	5.5
389.26895	8.1
445.29489	100.0
446.29837	2.2
463.30490	20.9
642.29761	1.9
642.43842	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.05489	6.3
61.02903	2.5
65.46390	1.5
67.05246	1.5
67.05503	18.2
69.07051	7.0
71.52264	2.5
79.05480	14.6
81.07043	17.8
83.08615	4.0
86.09711	1.9
91.05471	18.8
92.78860	1.7
93.07034	16.8
95.08606	13.2
96.41026	1.5
97.06512	3.3
97.10133	2.5
97.97777	1.7
105.07019	18.3
107.08572	7.4
109.10139	4.6
117.07014	5.4
119.08546	11.8
121.06467	2.8
121.10136	5.2
123.11661	2.0
129.07002	5.3
131.08562	13.7
133.10129	8.8
135.08069	2.7
135.11682	2.4
141.06967	2.7
143.08542	5.3
145.10118	8.3
147.11700	3.7
147.92857	1.9
149.09602	2.4
151.07574	2.7
155.08545	4.3
157.10104	3.9
159.11647	5.8
161.09546	2.5
163.11211	2.2
171.11684	4.2
171.15343	1.6
173.13196	1.8
174.49721	1.6
181.10133	1.9
184.07370	2.4
185.13245	2.8
201.26096	2.0
211.14818	3.1
263.02692	2.1
300.23468	1.9
343.25961	1.8
353.24701	4.3
371.25580	5.7
389.26804	6.3
445.29453	100.0
446.29822	5.3
463.30396	34.2
517.25000	1.8
624.42749	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	643.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.5
55.01857	1.3
55.05488	1.5
57.03409	0.8
57.07059	0.7
61.85492	0.5
65.03934	3.4
67.05502	2.7
69.03426	5.0
69.07052	1.8
69.42813	4.0
71.04982	0.9
79.05496	2.5
81.03409	4.7
81.07050	3.4
83.04982	0.7
85.02890	5.3
89.03907	0.9
91.05463	3.5
93.03378	1.2
93.07048	3.0
95.04994	2.4
95.08601	3.3
97.02895	3.5
97.06519	1.1
100.23820	0.5
103.05463	1.4
105.03741	0.7
105.07037	2.4
107.04928	2.6
107.08596	2.7
108.02102	1.6
109.02867	2.3
109.06500	1.2
109.10130	1.9
110.03661	0.9
111.04438	5.4
115.05430	0.7
117.03368	1.4
117.07011	2.0
119.04926	1.7
119.08578	3.2
121.02850	1.6
121.06484	2.0
121.10120	2.2
122.03652	0.8
123.04409	7.1
123.11701	0.8
125.05987	3.0
125.09554	0.6
126.72970	0.5
127.03880	2.4
129.07002	0.7
131.04877	2.2
131.08574	1.4
133.06461	0.6
133.10130	3.6
135.04385	3.7
135.08022	0.9
135.11676	1.6
136.01523	0.6
137.05957	10.2
137.13220	0.7
139.03894	2.8
141.05414	2.3
141.06985	0.6
143.08568	0.6
144.05702	0.6
145.02850	3.3
145.06477	2.0
145.10085	1.4
147.04401	2.3
147.08067	0.7
147.11722	1.5
149.05980	3.1
149.13223	1.2
151.03893	100.0
151.04959	6.1
151.07361	2.6
152.04449	0.5
153.05489	3.4
153.06696	0.7
155.06036	0.6
159.04436	0.6
159.11674	0.6
161.06015	2.4
161.09564	0.6
161.13292	0.6
163.03877	4.6
163.07538	3.2
165.05467	5.8
167.07022	12.0
169.04973	6.1
173.05957	2.9
173.13298	0.8
175.03870	1.0
175.07527	1.5
175.14801	2.6
177.05466	10.8
177.08986	1.0
178.05847	0.7
179.03030	0.5
179.07039	1.3
181.04942	8.3
181.06480	0.9
181.08517	0.8
183.32309	0.6
187.03922	0.6
187.07637	0.7
189.05453	1.4
189.09122	1.0
191.06990	4.5
191.10597	0.6
193.05022	1.1
193.08545	1.0
194.20493	0.5
195.06493	0.5
195.08080	0.6
195.10222	0.7
203.06960	1.6
205.08679	1.2
207.06436	1.3
207.10132	0.7
209.06079	0.5
209.07977	1.1
217.08556	1.3
219.10193	1.4
233.08009	0.8
233.11682	0.6
237.08945	0.6
243.10062	0.6
249.11200	0.8
253.08597	0.8
255.10153	1.1
257.08112	0.7
265.08585	1.0
269.08173	0.6
271.05960	0.7
273.07733	0.6
283.08075	1.4
285.07529	1.3
287.09152	2.1
287.12338	0.9
295.08093	2.8
297.07526	0.8
297.11395	0.8
299.09079	0.8
299.12750	0.6
301.07111	0.8
303.05048	0.7
311.09235	0.8
311.12787	1.0
311.16452	1.7
313.08899	2.5
313.14569	1.0
313.17929	1.2
315.08658	6.7
323.09235	0.8
329.10300	1.0
329.17383	2.4
331.15393	1.3
341.10349	1.1
341.13910	1.1
353.10358	0.7
357.13501	0.8
370.06906	0.6
385.12851	2.5
387.14383	1.0
399.14523	1.2
416.14505	0.8
417.15298	3.2
421.16348	1.0
439.17697	0.6
463.14380	0.9
463.21036	3.6
481.14825	1.9
481.22229	2.7
500.29868	0.6
625.26666	0.6
643.23938	3.1
643.34546	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.5
55.01857	1.3
55.05488	1.5
57.03409	0.8
57.07059	0.7
61.85492	0.5
65.03934	3.4
67.05502	2.7
69.03426	5.0
69.07052	1.8
69.42813	4.0
71.04982	0.9
79.05496	2.5
81.03409	4.7
81.07050	3.4
83.04982	0.7
85.02890	5.3
89.03907	0.9
91.05463	3.5
93.03378	1.2
93.07048	3.0
95.04994	2.4
95.08601	3.3
97.02895	3.5
97.06519	1.1
100.23820	0.5
103.05463	1.4
105.03741	0.7
105.07037	2.4
107.04928	2.6
107.08596	2.7
108.02102	1.6
109.02867	2.3
109.06500	1.2
109.10130	1.9
110.03661	0.9
111.04438	5.4
115.05430	0.7
117.03368	1.4
117.07011	2.0
119.04926	1.7
119.08578	3.2
121.02850	1.6
121.06484	2.0
121.10120	2.2
122.03652	0.8
123.04409	7.1
123.11701	0.8
125.05987	3.0
125.09554	0.6
126.72970	0.5
127.03880	2.4
129.07002	0.7
131.04877	2.2
131.08574	1.4
133.06461	0.6
133.10130	3.6
135.04385	3.7
135.08022	0.9
135.11676	1.6
136.01523	0.6
137.05957	10.2
137.13220	0.7
139.03894	2.8
141.05414	2.3
141.06985	0.6
143.08568	0.6
144.05702	0.6
145.02850	3.3
145.06477	2.0
145.10085	1.4
147.04401	2.3
147.08067	0.7
147.11722	1.5
149.05980	3.1
149.13223	1.2
151.03893	100.0
151.04959	6.1
151.07361	2.6
152.04449	0.5
153.05489	3.4
153.06696	0.7
155.06036	0.6
159.04436	0.6
159.11674	0.6
161.06015	2.4
161.09564	0.6
161.13292	0.6
163.03877	4.6
163.07538	3.2
165.05467	5.8
167.07022	12.0
169.04973	6.1
173.05957	2.9
173.13298	0.8
175.03870	1.0
175.07527	1.5
175.14801	2.6
177.05466	10.8
177.08986	1.0
178.05847	0.7
179.03030	0.5
179.07039	1.3
181.04942	8.3
181.06480	0.9
181.08517	0.8
183.32309	0.6
187.03922	0.6
187.07637	0.7
189.05453	1.4
189.09122	1.0
191.06990	4.5
191.10597	0.6
193.05022	1.1
193.08545	1.0
194.20493	0.5
195.06493	0.5
195.08080	0.6
195.10222	0.7
203.06960	1.6
205.08679	1.2
207.06436	1.3
207.10132	0.7
209.06079	0.5
209.07977	1.1
217.08556	1.3
219.10193	1.4
233.08009	0.8
233.11682	0.6
237.08945	0.6
243.10062	0.6
249.11200	0.8
253.08597	0.8
255.10153	1.1
257.08112	0.7
265.08585	1.0
269.08173	0.6
271.05960	0.7
273.07733	0.6
283.08075	1.4
285.07529	1.3
287.09152	2.1
287.12338	0.9
295.08093	2.8
297.07526	0.8
297.11395	0.8
299.09079	0.8
299.12750	0.6
301.07111	0.8
303.05048	0.7
311.09235	0.8
311.12787	1.0
311.16452	1.7
313.08899	2.5
313.14569	1.0
313.17929	1.2
315.08658	6.7
323.09235	0.8
329.10300	1.0
329.17383	2.4
331.15393	1.3
341.10349	1.1
341.13910	1.1
353.10358	0.7
357.13501	0.8
370.06906	0.6
385.12851	2.5
387.14383	1.0
399.14523	1.2
416.14505	0.8
417.15298	3.2
421.16348	1.0
439.17697	0.6
463.14380	0.9
463.21036	3.6
481.14825	1.9
481.22229	2.7
500.29868	0.6
625.26666	0.6
643.23938	3.1
643.34546	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13411	0.3
55.01825	0.4
69.39277	1.0
69.39693	1.5
83.44331	0.3
95.09062	0.3
127.48369	0.3
130.61719	0.3
136.74005	0.3
154.03189	0.4
179.83861	0.3
183.04555	0.3
340.96573	0.3
380.23785	0.3
396.12051	1.2
397.13074	1.7
398.13513	1.0
409.13367	0.6
410.13770	3.2
411.14484	6.8
412.15253	4.4
413.16046	2.9
422.13498	0.4
423.14993	2.1
424.11255	1.6
424.16373	2.3
425.16260	11.9
426.16849	10.1
427.17734	1.5
428.18826	1.6
437.16833	1.5
438.13101	2.8
438.17517	1.6
439.13513	15.7
440.18991	5.0
441.19244	39.3
442.19702	1.7
444.18314	0.5
451.13336	0.7
451.18799	0.4
452.14166	4.5
453.15189	17.8
454.15808	5.5
455.15778	0.4
455.21396	0.5
457.14771	0.4
459.20578	0.7
463.14160	1.1
465.15637	0.9
465.91858	0.4
466.11414	0.6
466.16812	1.0
467.17102	27.4
468.17831	15.6
469.18750	12.5
470.11896	0.4
470.19186	0.6
471.16656	1.0
478.16580	0.5
479.16742	0.5
480.17407	1.0
481.14676	15.5
482.15244	3.7
483.16074	0.6
485.18289	1.2
494.16580	0.5
495.15759	2.6
496.17157	10.6
497.17780	2.3
498.18689	0.6
499.19757	1.0
509.18292	2.3
512.20160	1.1
513.21667	0.6
514.22522	3.1
522.17139	0.5
523.20001	1.8
524.20148	0.6
526.18494	0.6
527.23480	2.7
528.23663	0.6
537.18500	0.5
539.19183	0.8
540.19708	0.6
542.21783	0.9
545.23737	0.6
555.22327	37.0
556.22809	2.1
568.19476	0.6
583.21832	100.0
584.22046	6.8
586.20935	0.5
587.25171	2.4
611.21216	2.1
614.23688	0.7
615.24420	14.1
616.24408	0.5
643.23877	60.7
644.24188	4.3
658.19733	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76195	0.3
59.75969	0.3
67.05495	0.8
69.07062	0.4
69.80312	1.8
78.11060	0.3
79.05485	0.8
81.07037	1.1
91.05478	1.0
93.07031	0.9
95.05014	0.4
95.08585	0.9
105.07033	0.8
107.08595	0.6
109.10103	0.3
119.08549	0.6
123.54960	0.3
123.63950	0.3
136.51208	0.3
149.05995	0.5
151.07547	0.5
159.61111	0.3
203.47578	0.3
208.50177	0.3
232.14517	0.3
277.21588	0.4
341.81693	0.4
396.12289	0.6
397.13037	1.4
398.13864	0.5
409.13345	0.5
410.13696	1.9
411.14529	3.8
412.15210	2.6
413.16107	1.1
423.14832	0.7
424.11380	1.1
424.15564	1.1
425.16168	8.3
426.16934	5.3
427.17633	1.3
428.18835	0.5
437.16943	0.6
438.13147	1.5
438.17514	1.0
439.13446	7.3
440.19034	2.4
441.19263	22.7
442.19019	1.4
452.14093	2.3
453.15320	9.3
454.15720	2.4
457.15088	0.8
463.14182	0.6
465.15814	0.5
466.12766	0.5
467.17139	18.8
467.97601	0.4
468.17865	9.0
469.18750	10.8
470.12503	0.5
470.19479	0.5
481.14764	11.1
482.15576	3.1
485.17950	0.5
495.15921	2.0
496.17151	9.6
497.17950	1.8
498.19363	0.4
499.15924	0.6
509.17929	1.7
510.19330	0.4
512.20905	0.7
514.22046	1.2
522.17896	0.8
523.19910	1.2
527.23438	1.4
540.20001	0.7
542.21832	1.5
545.38495	0.6
555.22345	21.4
556.22449	0.9
568.19458	0.6
583.21844	100.0
584.21924	4.5
587.24347	1.5
593.55090	0.3
611.21191	1.3
615.24426	8.6
625.29498	0.6
638.48804	0.4
643.23779	19.6
644.23279	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
54.94400	1.1
55.01854	2.1
55.05508	11.6
57.03421	1.4
57.07062	2.7
60.58166	1.5
65.03941	5.8
67.05507	13.5
69.03415	6.7
69.07064	14.8
71.04987	2.5
71.52686	2.3
77.03908	1.5
78.04705	2.5
79.05486	10.7
81.03421	9.8
81.07051	39.0
82.07399	1.3
83.04993	2.2
83.08588	3.8
85.02895	7.9
85.06530	3.5
91.05479	12.2
93.03411	1.6
93.07038	21.3
95.04951	8.3
95.08601	32.6
97.02861	3.7
97.06529	5.9
97.10184	9.4
99.04450	2.3
99.08078	2.1
99.59843	1.1
103.05463	9.4
105.03341	2.3
105.07030	15.4
107.04954	10.3
107.08587	21.4
109.02863	7.9
109.06514	3.3
109.10144	15.9
111.04415	4.4
111.08077	5.9
111.11713	3.9
115.05441	7.0
117.03362	1.5
117.07017	10.4
118.04173	2.0
119.04955	2.6
119.08574	14.3
121.02909	2.0
121.06501	5.1
121.10146	12.9
123.04425	16.0
123.08045	2.4
123.11701	16.1
124.05199	1.9
124.19682	1.0
125.05986	3.9
125.09668	2.8
126.03114	1.4
127.03878	5.7
129.06973	1.9
131.04930	8.0
131.08537	3.6
133.06461	4.7
133.10141	7.5
135.04396	4.1
135.08034	2.8
135.11684	8.2
136.07553	1.5
137.05966	12.6
137.09628	1.4
137.13284	5.5
139.03882	2.5
139.11169	4.5
141.05455	71.7
142.02509	1.5
143.08516	1.9
143.10678	1.5
145.02872	1.7
145.06485	9.1
145.10091	3.8
147.04404	7.8
147.08055	2.4
147.11676	7.6
148.05142	4.7
149.05949	5.1
149.09593	1.6
149.13264	14.1
151.03897	4.2
151.07500	4.6
151.11115	2.0
151.14684	1.1
152.04637	3.0
153.05463	8.2
153.12703	2.2
155.05969	2.6
155.07088	1.9
157.06522	1.7
157.10168	1.8
157.12166	1.7
159.08018	2.4
159.11684	3.5
160.05159	1.9
161.05963	7.4
161.13243	4.6
163.03931	3.8
163.07509	8.2
163.11232	1.7
163.14807	3.4
164.07013	1.9
165.05473	13.2
165.09132	2.0
165.12758	1.3
167.07030	100.0
167.14203	1.3
168.07419	4.1
170.89453	1.3
171.04465	2.3
171.06497	2.2
171.07965	1.6
171.11653	1.8
171.13777	1.4
173.05995	17.1
173.09608	1.3
173.13235	3.9
175.03786	1.2
175.07544	3.3
175.14844	4.2
176.04611	1.3
177.05472	14.0
179.03433	1.9
179.07080	5.9
179.08406	1.2
179.14275	1.6
181.04947	51.1
182.05328	2.7
183.06546	6.9
187.07478	1.4
187.13306	2.6
189.05403	1.8
189.16379	1.5
191.07024	37.7
191.14250	1.9
192.07347	1.9
193.04936	2.7
193.08553	2.9
195.06474	2.9
201.05426	2.1
201.09184	1.3
203.06982	8.6
203.14323	1.2
205.08578	6.3
207.06483	11.6
208.07159	1.3
209.08023	3.1
217.08571	3.4
219.06483	1.4
219.10130	2.4
221.08107	3.3
225.07594	5.1
231.06523	18.6
231.08615	2.2
233.07961	5.8
234.08704	1.3
235.09601	4.3
241.08597	1.6
249.05261	1.6
249.07561	9.7
255.10077	3.0
257.22342	1.5
263.09109	4.7
287.23587	2.5
293.24802	2.0
303.23172	1.7
305.24734	8.7
311.16431	3.2
315.08710	1.7
317.10172	2.0
323.25671	2.3
325.10526	1.4
329.17477	5.9
337.10468	1.4
341.10336	1.4
347.25986	1.5
357.13196	3.3
384.69833	1.1
385.12723	8.2
386.13297	1.7
387.14505	9.0
389.26913	1.3
399.14288	2.1
399.28909	1.6
407.27460	2.2
413.26413	2.2
417.15427	36.8
418.15588	3.9
425.28571	1.9
431.28073	1.7
463.21176	2.7
467.30127	2.2
481.22107	5.2
643.23517	7.8
643.35693	4.8
644.24304	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	643.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.01868	12.0
55.05508	16.7
55.74438	2.2
56.22696	1.7
57.03427	27.8
65.03934	6.4
67.05497	73.8
69.03409	3.4
69.07053	12.6
71.04954	2.4
79.05482	45.0
81.07048	43.1
83.04948	4.7
83.08614	8.6
85.06532	13.8
91.05473	40.1
93.07036	41.1
95.04366	4.2
95.04956	50.4
95.08598	34.0
97.06522	6.1
97.10138	3.7
101.37060	2.0
105.07023	25.1
107.04959	10.3
107.08575	27.6
109.06506	76.5
109.10160	11.3
111.08067	2.9
113.05990	33.7
117.06976	12.0
119.08568	13.8
121.06473	8.2
121.10149	12.1
123.08077	3.5
123.11673	2.3
125.09641	2.4
129.06989	10.2
131.08539	18.6
133.06512	3.7
133.10110	12.7
135.08038	49.1
135.11667	10.3
143.08546	9.0
145.10110	12.5
147.08052	6.3
147.11674	4.3
149.06009	3.0
149.09598	7.0
149.13243	4.5
151.07477	2.2
155.08472	1.9
157.10109	7.4
159.08038	4.5
159.11681	5.6
161.09653	10.3
163.11125	2.8
165.09071	2.9
169.10167	5.0
171.11728	2.8
173.13301	4.3
175.11229	2.6
177.12686	2.9
183.11671	3.5
195.13942	2.8
199.11185	3.2
199.14803	3.2
205.28470	2.1
217.15849	15.2
255.17415	2.7
273.18481	30.5
275.20044	2.8
279.15750	2.4
291.19519	100.0
312.85626	2.2
335.25793	49.0
347.21915	3.9
365.23315	11.3
607.43243	4.9
625.44617	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68896	1.6
55.01857	4.4
55.05492	6.0
57.03424	3.1
61.02894	2.1
65.03932	2.9
67.05490	7.5
68.99777	2.6
69.03423	20.6
69.07051	8.5
71.04371	4.2
71.04992	2.0
72.17545	1.7
79.05480	5.7
81.03389	6.2
81.07050	14.2
83.01352	2.4
83.04987	4.3
85.02891	19.5
87.04459	2.1
91.03953	1.7
91.05470	14.1
93.07027	15.9
95.04947	7.3
95.08591	22.6
97.02859	6.3
97.06502	2.9
97.10139	2.3
99.04442	2.9
99.08073	3.0
103.05447	3.2
103.19543	1.7
105.03326	2.4
105.07027	11.0
107.04929	7.2
107.08579	19.3
109.02847	7.7
109.06499	5.6
109.10158	10.9
111.04399	3.4
115.03992	1.8
115.05437	2.5
117.03369	2.0
117.06990	4.9
119.04911	9.9
119.08562	26.1
121.02862	3.3
121.06493	9.5
121.10144	13.2
123.04413	88.5
123.08042	2.2
123.11687	7.0
125.02261	2.1
125.05992	3.7
127.03880	8.3
129.07014	2.6
131.04897	4.4
131.08530	3.1
132.16136	1.9
133.06450	5.7
133.10104	34.2
135.04333	9.7
135.08038	3.6
135.11661	15.2
137.02330	2.4
137.05957	14.1
137.09570	6.6
137.13231	5.1
138.09013	1.7
139.03912	12.5
141.05443	3.5
143.04918	2.4
145.02829	2.6
145.04872	2.0
145.06470	4.6
145.10091	4.6
147.04369	32.3
147.08003	3.0
147.11629	6.3
148.05130	1.8
149.05975	12.1
149.13210	12.7
151.03885	39.0
151.05090	2.0
151.07468	3.8
152.04187	3.8
153.04318	3.9
153.05460	12.7
159.08035	2.9
159.11560	2.2
161.05952	7.4
163.03879	10.2
163.07515	12.2
165.05453	100.0
165.06697	3.5
167.07010	13.4
173.05928	4.0
173.09612	2.0
173.13232	5.2
175.07530	5.2
175.14801	47.3
177.05429	33.7
179.07056	9.9
181.04929	7.1
187.07545	2.8
187.11090	2.3
189.05464	18.4
189.09172	2.3
191.06993	56.4
193.08553	16.0
193.15855	8.0
195.06479	2.4
203.06943	8.0
205.08530	9.3
207.06464	12.9
215.07050	3.0
217.08542	5.0
219.06372	2.7
219.10062	3.1
227.08463	2.1
231.06479	2.4
231.10100	3.2
233.11728	3.4
243.10245	4.6
257.11719	7.1
271.06125	3.3
282.01929	1.8
285.07556	3.7
291.08478	3.6
299.09140	13.4
301.06708	2.6
303.08517	6.3
309.09729	4.9
313.11688	2.3
313.17905	46.3
315.08395	2.7
317.10165	50.9
323.08881	2.5
325.10657	5.4
329.10132	4.6
331.18991	47.3
336.24750	2.3
339.12149	2.5
341.10202	10.5
343.11624	5.5
355.11743	4.0
381.73575	2.1
401.15958	2.4
447.21719	12.6
461.14490	4.0
465.22598	27.1
475.23315	2.6
479.15366	2.6
483.23450	6.7
645.22491	2.6
662.01947	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	645.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47776	1.2
51.02378	1.6
52.98629	1.3
53.03938	3.2
55.01860	4.8
55.05490	3.3
56.42362	1.1
57.03424	2.0
57.07045	1.4
65.03933	1.5
67.05499	7.5
68.99781	1.9
69.03419	15.8
69.07070	6.0
69.18983	6.5
69.19409	7.5
71.04980	1.6
79.05470	5.8
80.51080	1.3
81.03393	2.9
81.06657	1.1
81.07059	9.9
83.04948	2.7
85.02890	14.5
91.05468	9.7
93.03463	1.5
93.07027	9.8
95.04953	4.1
95.08599	16.7
97.02882	7.4
99.08057	2.1
99.65993	1.2
103.05432	3.1
105.07025	10.0
107.04939	4.9
107.08579	12.0
109.02848	4.8
109.06512	4.1
109.10126	8.9
111.04414	2.7
115.05430	1.8
117.03348	1.5
117.07010	2.2
119.04959	8.6
119.07796	2.1
119.08565	23.0
121.02816	2.6
121.06506	8.4
121.10130	11.0
122.05954	1.6
123.04411	74.1
123.08015	2.4
123.11678	5.0
127.03884	7.0
131.04906	3.9
131.08540	3.2
133.06473	3.1
133.10118	27.7
135.04393	8.2
135.08000	3.8
135.11708	10.8
137.05960	12.9
137.09602	2.7
137.13269	2.4
139.03865	9.4
139.07538	1.6
141.05368	2.4
145.02844	1.5
145.06447	3.5
145.10086	3.2
147.04390	28.3
147.11633	4.6
149.05981	7.8
149.13258	6.1
151.03883	19.1
151.07491	3.2
153.05453	7.9
157.09837	1.3
159.08006	1.5
159.11664	3.2
161.06007	8.7
163.03908	10.0
163.07539	10.0
165.05457	100.0
166.05806	1.8
167.07018	14.3
173.05899	3.2
173.13239	3.6
175.07520	6.7
175.13281	2.4
175.14801	44.6
177.05441	25.3
177.06897	2.5
179.07040	7.6
181.05009	3.2
187.07558	4.0
189.05447	14.9
191.07005	47.2
193.04922	2.3
193.08589	15.5
193.15817	8.6
195.06505	3.1
199.07443	1.6
201.05341	1.6
203.07005	5.6
205.08612	6.1
207.06523	10.3
207.10143	1.5
213.43190	1.5
215.06949	2.2
217.08670	4.0
217.15840	1.3
219.10127	3.8
231.06516	4.1
231.10112	1.8
233.08043	2.7
233.11734	3.3
243.10114	1.6
249.11337	1.7
251.07358	1.5
257.11691	4.8
263.06924	1.5
265.08374	1.9
267.09924	1.3
271.10709	1.8
273.07663	3.3
281.08292	1.3
285.07526	5.8
287.09070	1.3
291.08743	2.0
299.09128	13.1
301.11713	1.5
303.05405	1.4
303.08545	7.2
307.09589	1.5
309.09607	3.7
311.09061	1.7
313.11078	2.3
313.17914	33.7
317.10165	54.1
318.10559	1.4
323.09091	2.5
325.10583	10.9
329.10172	3.5
331.18970	35.4
337.10571	3.2
341.10114	7.4
343.11591	7.9
355.11694	6.9
359.11194	1.5
368.41980	1.4
369.13403	1.7
383.10965	1.7
399.14178	3.6
401.15930	3.0
403.04736	1.4
447.21793	9.1
461.14465	3.6
465.22787	18.0
475.22928	4.0
483.23795	9.6
628.25574	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
53.03935	2.0
55.01867	5.0
55.05509	3.8
57.03423	1.7
57.07069	1.4
61.02913	2.2
65.03936	1.6
67.05499	4.6
68.99789	1.1
69.03420	12.3
69.07064	4.5
71.04967	1.4
71.11484	1.3
73.02912	0.6
77.03943	0.9
79.05486	6.4
81.03402	4.1
81.07042	8.0
83.01327	0.8
83.04967	1.9
83.08616	1.8
85.02430	1.0
85.02897	13.2
87.04444	0.9
91.03977	0.5
91.05467	7.4
93.07031	8.4
95.04963	5.5
95.08603	12.6
97.02882	6.3
97.06505	1.3
97.10194	0.8
99.04459	1.1
103.05466	4.7
105.03341	0.8
105.07020	11.3
107.04960	4.1
107.08588	12.3
109.02866	3.3
109.06534	3.0
109.10145	5.5
111.04443	1.9
111.08138	0.8
115.05439	2.6
117.07037	1.6
119.04939	8.6
119.07716	0.7
119.08578	17.0
121.06492	8.3
121.10131	11.1
123.04417	66.3
123.08080	1.5
123.11681	4.3
124.04746	0.6
125.05986	1.4
125.09621	0.8
127.03879	3.5
129.06966	0.9
131.04906	4.5
131.08551	1.8
133.06488	3.1
133.09108	1.3
133.10117	26.0
135.04422	3.4
135.08023	2.3
135.11674	11.2
136.07483	0.6
137.02310	0.9
137.05962	4.4
137.09607	1.6
137.13213	2.4
139.03891	5.8
139.10170	0.7
139.11162	2.6
141.05420	2.1
143.04897	1.6
143.08583	0.7
145.04970	1.2
145.06435	1.5
145.10110	2.3
147.04396	27.5
147.08023	1.5
147.11653	4.4
148.05125	2.5
149.05949	7.1
149.09607	1.4
149.13251	7.6
151.03903	12.0
151.07487	1.4
151.14799	0.8
153.05449	6.9
157.10049	0.6
159.04388	1.6
159.08011	0.9
159.11649	1.1
161.05977	10.2
163.03928	4.3
163.07527	7.1
163.14859	0.8
165.05463	100.0
166.05829	0.7
167.07043	9.3
168.07504	0.6
169.04950	0.9
169.10126	0.6
171.11667	0.6
173.05974	2.4
173.13268	3.2
175.03889	1.3
175.07504	3.9
175.14812	40.3
176.04770	0.8
177.05458	17.6
179.07025	8.8
181.04959	6.9
185.05844	0.6
187.07555	2.0
187.14745	0.6
189.05446	11.1
189.09114	1.3
191.07019	33.7
192.07491	0.6
193.04951	0.8
193.08592	19.6
193.10323	1.3
193.15865	4.1
195.06509	3.3
201.05478	1.0
203.06985	3.6
205.08623	4.0
207.06493	12.4
209.08063	5.4
215.07042	2.0
217.08560	2.1
217.15755	0.7
219.10141	2.3
221.08067	4.5
229.08572	1.7
231.06496	2.1
231.10156	1.1
233.08035	1.0
233.11711	1.5
243.10179	2.0
245.11674	0.8
247.09555	0.9
249.07423	0.7
255.06467	0.7
257.07983	1.1
257.11707	4.4
259.66309	0.6
261.07590	1.5
273.07593	1.4
275.12762	0.7
281.07977	0.8
285.07495	1.3
287.08438	0.6
291.08606	1.5
295.16949	2.5
299.09213	4.6
303.05164	0.9
303.08575	8.8
309.09619	2.2
311.09207	0.8
313.17950	25.4
317.10168	64.3
323.09070	0.7
325.10623	1.6
325.18079	0.9
327.11996	0.7
329.10126	2.8
331.19003	26.3
341.10153	3.2
343.11725	7.9
343.19061	0.8
345.13315	0.8
355.19229	0.7
373.20071	1.6
389.34344	0.8
397.78098	0.6
399.14389	0.6
409.16150	0.7
418.15875	0.8
419.17023	2.5
439.20786	1.0
447.21570	2.0
457.22034	1.7
461.14178	1.5
465.22678	15.3
469.63278	0.6
475.22916	4.0
483.23715	15.2
484.06357	0.6
493.24377	2.7
499.34628	0.7
645.24951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47776	1.2
51.02378	1.6
52.98629	1.3
53.03938	3.2
55.01860	4.8
55.05490	3.3
56.42362	1.1
57.03424	2.0
57.07045	1.4
65.03933	1.5
67.05499	7.5
68.99781	1.9
69.03419	15.8
69.07070	6.0
69.18983	6.5
69.19409	7.5
71.04980	1.6
79.05470	5.8
80.51080	1.3
81.03393	2.9
81.06657	1.1
81.07059	9.9
83.04948	2.7
85.02890	14.5
91.05468	9.7
93.03463	1.5
93.07027	9.8
95.04953	4.1
95.08599	16.7
97.02882	7.4
99.08057	2.1
99.65993	1.2
103.05432	3.1
105.07025	10.0
107.04939	4.9
107.08579	12.0
109.02848	4.8
109.06512	4.1
109.10126	8.9
111.04414	2.7
115.05430	1.8
117.03348	1.5
117.07010	2.2
119.04959	8.6
119.07796	2.1
119.08565	23.0
121.02816	2.6
121.06506	8.4
121.10130	11.0
122.05954	1.6
123.04411	74.1
123.08015	2.4
123.11678	5.0
127.03884	7.0
131.04906	3.9
131.08540	3.2
133.06473	3.1
133.10118	27.7
135.04393	8.2
135.08000	3.8
135.11708	10.8
137.05960	12.9
137.09602	2.7
137.13269	2.4
139.03865	9.4
139.07538	1.6
141.05368	2.4
145.02844	1.5
145.06447	3.5
145.10086	3.2
147.04390	28.3
147.11633	4.6
149.05981	7.8
149.13258	6.1
151.03883	19.1
151.07491	3.2
153.05453	7.9
157.09837	1.3
159.08006	1.5
159.11664	3.2
161.06007	8.7
163.03908	10.0
163.07539	10.0
165.05457	100.0
166.05806	1.8
167.07018	14.3
173.05899	3.2
173.13239	3.6
175.07520	6.7
175.13281	2.4
175.14801	44.6
177.05441	25.3
177.06897	2.5
179.07040	7.6
181.05009	3.2
187.07558	4.0
189.05447	14.9
191.07005	47.2
193.04922	2.3
193.08589	15.5
193.15817	8.6
195.06505	3.1
199.07443	1.6
201.05341	1.6
203.07005	5.6
205.08612	6.1
207.06523	10.3
207.10143	1.5
213.43190	1.5
215.06949	2.2
217.08670	4.0
217.15840	1.3
219.10127	3.8
231.06516	4.1
231.10112	1.8
233.08043	2.7
233.11734	3.3
243.10114	1.6
249.11337	1.7
251.07358	1.5
257.11691	4.8
263.06924	1.5
265.08374	1.9
267.09924	1.3
271.10709	1.8
273.07663	3.3
281.08292	1.3
285.07526	5.8
287.09070	1.3
291.08743	2.0
299.09128	13.1
301.11713	1.5
303.05405	1.4
303.08545	7.2
307.09589	1.5
309.09607	3.7
311.09061	1.7
313.11078	2.3
313.17914	33.7
317.10165	54.1
318.10559	1.4
323.09091	2.5
325.10583	10.9
329.10172	3.5
331.18970	35.4
337.10571	3.2
341.10114	7.4
343.11591	7.9
355.11694	6.9
359.11194	1.5
368.41980	1.4
369.13403	1.7
383.10965	1.7
399.14178	3.6
401.15930	3.0
403.04736	1.4
447.21793	9.1
461.14465	3.6
465.22787	18.0
475.22928	4.0
483.23795	9.6
628.25574	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50837	0.8
56.96298	1.5
56.96558	20.9
59.66506	0.8
68.96548	0.9
69.03403	1.3
69.93605	3.7
69.94028	1.3
71.95234	0.9
80.52862	0.7
84.96020	6.7
85.02892	3.0
85.79358	0.8
89.03882	0.7
91.05466	1.5
95.31380	0.8
97.02869	2.3
98.21521	0.8
98.97572	100.0
102.97048	1.0
104.78263	1.0
107.04916	1.2
110.97555	5.1
116.98607	70.5
117.14627	0.8
119.01919	2.5
119.04940	2.1
123.04411	4.6
127.03889	2.7
128.98604	8.8
131.00150	2.4
131.01865	1.1
134.98643	1.8
134.99641	31.7
137.05952	3.2
139.03896	4.3
140.00180	2.1
143.00186	1.9
143.01878	2.3
144.01936	0.8
144.98045	1.1
145.01683	3.0
146.99620	6.6
147.03255	2.1
147.04372	6.5
149.01196	1.7
151.03922	0.9
152.98523	1.3
153.00645	2.6
155.01884	1.2
158.01218	3.2
158.99637	42.0
161.01233	3.7
161.02910	6.6
162.99110	2.3
163.02725	3.5
163.03880	1.8
165.00626	1.2
165.04327	3.0
165.05548	1.0
170.99655	4.5
171.03291	3.7
177.00693	70.9
179.06984	1.7
185.06488	1.3
189.00668	3.9
189.04318	19.4
189.05989	0.8
189.76122	0.9
193.03836	1.2
195.01749	6.4
200.02278	3.7
201.00693	1.4
201.04391	1.5
207.05400	5.7
212.05826	1.4
215.07616	1.0
219.01746	12.0
221.05002	2.0
223.03011	1.3
231.05342	3.8
235.02710	2.3
237.00453	1.8
237.02782	30.3
239.02263	3.7
247.68987	0.8
249.01120	0.8
249.06429	1.9
253.03842	6.3
255.03818	2.4
257.03415	1.8
260.04486	1.4
271.04892	2.4
275.09644	1.2
277.03824	3.7
281.03409	1.5
291.07425	22.5
293.10831	4.0
295.04907	2.3
309.08530	83.1
310.08789	2.0
319.27054	0.9
325.87585	0.9
332.10034	5.5
337.08105	1.1
351.09668	2.8
365.07535	31.9
367.08997	3.2
382.07324	2.9
391.09125	5.3
403.09061	13.7
409.09973	1.1
415.08731	0.9
421.10272	6.9
437.11215	8.4
445.08859	5.5
445.58951	3.5
455.12228	47.2
456.12189	2.2
465.09079	6.4
469.13846	1.6
483.10159	12.5
537.12628	25.1
538.12726	1.0
611.12750	3.1
629.13849	9.9
647.15155	2.0
675.80701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.6
52.56114	0.5
53.03941	1.8
60.36292	0.7
65.03938	1.4
66.04712	0.7
67.05499	0.9
67.80706	0.6
69.97189	2.5
78.04681	1.2
79.05487	5.2
80.06253	1.4
81.03394	0.8
90.04659	1.0
91.05486	7.5
93.03400	0.6
93.07012	1.1
94.04178	1.2
95.01277	0.6
95.04949	3.0
96.05755	1.7
103.05436	1.5
105.03387	1.1
105.07017	4.5
106.04153	1.1
107.04945	14.5
108.05740	8.7
109.02873	0.9
109.06501	3.2
110.03624	2.5
118.04138	2.1
119.04923	2.0
120.05695	1.0
121.06483	8.1
122.07263	1.8
123.04416	0.9
124.05188	11.5
125.05943	4.7
132.05675	0.9
133.02864	1.0
133.06471	4.8
134.07246	1.8
135.04398	5.0
135.08047	3.5
136.05186	5.7
137.05951	3.4
138.06757	1.3
139.07526	49.7
147.04402	2.8
148.05162	2.5
149.02315	2.1
149.06000	4.1
150.06746	8.9
151.07524	100.0
152.07869	1.2
153.05440	5.6
154.06265	0.8
155.06943	0.7
161.05893	0.9
162.06752	10.7
163.03891	1.0
163.07513	10.4
164.04675	2.7
164.08237	1.0
165.05444	4.6
165.09096	29.7
166.06195	0.9
167.07019	38.7
168.07811	3.5
177.01102	0.7
177.05476	1.0
178.06264	1.7
179.07004	2.0
181.08623	0.7
191.07118	1.2
193.08586	18.8
194.09250	1.0
195.10075	3.5
203.30997	0.6
210.08833	7.5
216.50516	0.6
228.85312	0.7
241.08705	0.8
257.07974	1.4
283.09900	0.7
287.12714	5.6
315.12405	0.9
527.35376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
55.01857	3.0
55.05506	4.9
59.94365	2.3
61.30857	2.4
66.04681	2.4
67.05486	8.8
70.04564	12.5
78.11639	3.2
79.05492	17.7
81.03375	2.7
81.07037	7.9
91.05466	17.8
93.07041	6.0
95.04962	10.1
95.08579	5.8
103.05449	12.2
103.46458	2.5
105.07024	19.5
107.04965	13.6
108.05717	4.4
109.06490	5.1
109.10112	3.6
110.03625	3.6
115.05451	7.8
117.07003	8.8
118.04133	4.6
119.04929	9.8
120.05677	5.3
121.06454	19.9
122.07270	3.7
123.04389	4.6
124.05218	4.3
125.05982	3.0
131.04900	7.9
132.05678	5.2
133.06540	15.9
134.07280	10.8
135.04404	8.5
135.08047	9.6
138.06784	14.8
139.07521	16.6
141.40329	3.0
145.06413	6.5
146.07253	40.2
147.04350	10.1
147.08006	7.0
148.05190	6.5
149.05971	7.9
150.06741	33.9
151.07532	48.9
152.96037	2.5
153.05484	5.5
161.05960	7.6
162.06729	29.5
163.07518	26.5
165.05472	8.5
165.09100	87.6
166.06270	10.5
166.09724	4.5
167.07069	13.7
175.07574	5.3
176.08365	3.4
177.05669	3.5
177.09094	100.0
178.06310	2.8
191.06998	4.5
193.08583	29.2
194.09343	5.2
195.10133	5.0
279.23080	4.4
443.79111	2.8
498.09030	3.1
648.37103	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	650.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13297	0.3
55.05481	0.3
56.05014	0.4
58.06618	0.4
60.07883	0.5
60.08158	5.4
67.05473	0.9
71.07363	2.8
71.52882	0.3
71.53234	0.5
81.07080	0.4
86.09697	28.7
89.02532	0.3
98.98450	2.4
104.10736	2.5
109.10165	0.3
114.04974	0.3
119.08662	0.3
124.99992	17.2
143.01021	0.6
166.02711	0.3
184.07320	100.0
185.07643	0.5
191.83754	0.3
213.86122	0.3
233.08182	0.5
254.16844	0.3
422.03265	0.3
474.14114	0.3
650.43848	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	651.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17148	2.7
53.03937	10.5
55.01857	4.5
55.05505	34.6
57.03430	12.3
57.07068	7.6
62.68400	2.9
65.03954	3.7
67.05501	100.0
69.03419	29.4
69.07066	16.8
69.58768	12.9
69.59168	4.8
71.04991	9.8
75.48680	2.6
79.05495	29.9
81.03411	63.3
81.07050	76.4
82.81976	2.9
83.04981	24.8
83.08615	9.9
85.02906	7.2
85.06519	3.3
91.05469	29.0
93.07030	41.6
95.04978	10.9
95.08601	46.8
97.02875	23.2
97.06518	3.5
97.10149	17.3
98.21435	5.6
99.04452	5.1
105.07017	27.8
105.46310	2.9
107.04929	4.7
107.08592	28.3
109.02881	10.3
109.06510	3.9
109.10149	57.0
109.10849	4.9
111.04439	9.7
111.08083	5.2
117.07037	14.8
119.08560	21.9
121.06489	4.4
121.10140	16.0
123.08051	4.3
123.11709	5.2
125.09634	16.4
127.03912	9.0
129.05513	11.6
129.06985	6.1
131.08572	18.8
133.06483	4.9
133.10147	11.6
135.08061	4.0
135.11691	8.4
136.75526	2.5
137.09615	8.2
139.16130	2.5
143.08549	8.3
145.06517	4.3
145.10109	11.6
147.08150	3.1
147.11681	11.1
149.09625	3.5
149.13182	4.9
155.08575	4.3
157.10103	6.2
159.11699	9.4
161.09676	3.7
163.11037	4.8
163.14813	4.6
167.08534	3.1
169.10109	4.4
171.11690	7.1
173.11748	15.7
173.13297	8.4
185.13310	5.1
188.94522	3.1
189.11279	14.1
191.14384	2.8
199.14972	3.6
203.10698	3.2
207.20844	2.9
227.12761	18.4
229.14294	21.8
233.15364	3.6
245.13762	3.7
252.69507	3.5
261.22189	7.5
283.20398	3.0
299.14832	5.9
301.21671	2.9
303.23373	3.3
335.25711	10.8
337.27255	15.8
343.54877	3.0
351.23059	4.5
369.24088	7.9
371.17068	6.3
387.25232	6.6
425.26178	3.9
443.27734	3.7
461.28995	3.8
489.35773	6.5
597.37170	4.5
615.38922	8.6
633.39722	15.7
651.40930	16.8
675.89569	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	653.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
90.48521	2.1
90.95840	2.0
98.07239	1.6
129.74371	1.9
161.23610	1.9
233.27368	1.7
270.96765	2.2
350.86346	2.1
368.17093	1.9
391.19257	6.0
392.20419	2.9
405.20541	11.3
406.21667	7.8
419.22653	2.8
420.23047	8.6
421.23856	14.4
433.19998	3.2
447.21896	3.3
450.20407	3.7
452.22305	2.4
460.22708	2.7
465.22803	44.6
473.19296	2.0
475.25363	2.5
479.24265	9.1
480.25177	5.0
488.21951	7.4
491.20947	2.4
492.21149	3.6
503.24304	55.6
504.24335	2.8
507.27478	3.7
535.26971	50.3
551.26587	7.8
561.25098	2.7
579.25909	44.5
594.27979	19.1
621.27008	21.7
653.29626	100.0
654.30103	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	653.2964
Annotation	Haplophytine
Peak:m/z	Relative Intensity
67.05495	1.7
69.70224	8.7
77.74858	1.2
79.05505	2.0
91.05524	1.5
93.07037	1.4
95.08578	1.4
98.21481	1.6
138.25041	1.1
149.35458	1.2
351.31146	1.4
384.17523	2.1
388.17911	1.5
389.17905	1.6
390.18491	3.0
391.18961	2.2
403.19455	4.5
404.19901	5.7
405.20700	15.0
417.20792	2.9
418.21799	1.9
419.22430	12.4
420.23138	5.6
431.22678	2.5
433.24075	6.8
434.24588	5.1
435.18109	2.4
445.20166	2.1
447.21295	2.6
447.26501	2.5
449.19574	10.1
450.20441	1.9
463.21265	8.5
464.22134	4.1
465.22751	2.1
473.19370	1.5
475.21173	3.0
476.22037	1.6
477.22968	3.1
478.23892	4.6
479.24445	39.2
479.31049	2.5
480.24896	1.6
487.21289	5.9
491.25183	2.8
492.25415	2.7
493.25943	1.8
501.23090	6.4
506.26361	1.6
507.27466	25.2
519.24219	4.4
533.25800	6.3
534.25757	1.9
537.24799	13.5
541.38708	4.2
551.26465	38.6
555.82391	1.4
561.25171	6.8
562.25519	1.4
565.28033	22.6
566.28864	100.0
567.29382	1.6
593.27625	12.9
621.27014	17.1
635.28668	3.6
653.29657	94.6
654.30029	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	653.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	13.2
55.01854	8.0
55.05501	34.9
55.15453	3.4
56.42596	4.2
57.03427	23.2
65.03920	5.8
67.05498	75.7
69.03427	26.8
69.07049	15.9
71.04961	6.7
71.53132	4.6
71.53541	4.7
79.05484	94.5
81.03411	100.0
81.07043	70.9
83.04970	40.0
83.08614	32.0
85.02898	32.5
85.06534	6.1
91.05470	96.3
93.07034	83.2
95.04954	38.7
95.08598	41.9
97.02903	18.0
97.06511	8.8
97.10159	9.0
99.04437	5.8
103.05351	3.7
105.07018	69.5
107.04935	21.6
107.08580	29.6
109.02836	8.4
109.06474	11.7
109.10129	13.7
111.04407	10.1
111.08040	10.9
115.05406	5.7
117.07022	19.5
119.04943	3.8
119.08572	50.6
121.06472	9.9
121.10127	16.3
123.08092	8.4
127.03911	9.9
128.06194	7.0
129.05469	8.8
129.06973	38.0
131.08548	19.9
133.06465	9.1
133.10126	25.8
139.60582	3.5
143.08519	10.2
145.06403	7.8
145.10110	21.2
147.08026	14.0
147.11664	52.7
149.09586	9.3
151.03847	4.4
155.08556	4.8
157.10110	16.1
159.08022	4.7
161.09619	7.9
161.13245	13.4
163.11160	5.8
165.09100	6.0
169.10132	6.9
171.11658	30.7
175.11157	13.2
181.12305	6.4
189.12695	7.8
191.10635	3.9
193.12202	41.2
207.13783	38.3
207.72783	3.7
211.13258	53.0
227.12822	7.5
249.14816	4.0
259.17014	5.4
262.49731	4.7
267.15875	28.7
269.15460	4.8
281.17459	86.1
285.16995	21.0
287.16370	8.5
355.17249	4.3
397.59558	4.0
411.20139	4.6
425.21356	5.8
429.21161	13.3
446.51843	4.4
473.28818	62.2
491.30011	32.5
571.32385	5.9
635.34143	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3524
Annotation	Withanoside III
Peak:m/z	Relative Intensity
50.01596	2.2
51.02388	2.1
53.03939	9.2
55.01866	6.7
55.05510	26.6
57.03440	15.7
65.02104	2.2
65.03950	4.1
67.05502	60.0
69.03107	3.2
69.03429	20.8
69.07067	15.1
70.03304	10.8
71.01331	2.5
71.04980	9.3
79.05489	68.5
81.03414	100.0
81.07053	56.6
83.04974	32.0
83.08611	24.2
85.02901	18.9
85.06535	3.4
87.04454	2.3
91.05476	70.0
93.07038	63.7
95.04965	47.7
95.08600	26.7
97.02884	16.5
97.06532	7.0
97.10145	4.1
99.04430	5.4
102.30991	2.2
105.07028	55.6
105.83910	2.1
107.04914	11.6
107.08589	21.6
109.02869	9.2
109.06507	10.4
109.10144	6.3
111.04449	10.5
111.08060	10.0
115.05401	2.8
117.06978	11.9
119.08574	36.9
121.06508	4.3
121.10147	12.4
123.08064	6.3
123.11688	2.4
125.09573	3.3
127.03925	8.5
128.06187	4.8
129.05487	5.3
129.07008	20.5
131.04916	3.1
131.08592	12.3
133.06493	6.1
133.10127	16.2
135.08081	4.5
135.11697	3.0
143.08568	8.6
145.06520	2.4
145.10141	8.8
147.08020	7.0
147.11682	41.7
149.09628	6.5
153.12735	3.5
157.10109	12.3
161.09660	2.4
161.13283	8.0
163.11156	4.5
165.09052	3.6
165.12801	2.4
171.11665	22.4
173.04515	2.6
175.11142	15.0
181.12198	3.5
189.12761	7.8
193.12227	35.2
207.13812	23.2
211.13260	43.1
225.14789	2.6
227.12718	4.3
259.16733	2.9
267.15915	30.5
272.35440	2.3
281.17474	64.0
281.20691	3.1
285.16965	13.5
287.16336	2.8
355.17535	6.2
425.21414	4.7
429.21100	16.7
473.28958	72.2
491.29938	21.6
635.34381	38.1
636.34912	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	655.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06172	1.3
51.02361	1.6
53.03935	7.7
55.01865	15.9
55.05506	30.7
57.03196	1.5
57.03430	19.1
57.07069	7.5
59.04973	1.6
65.03926	5.3
65.84067	1.1
67.05498	57.4
68.99757	1.3
69.00097	1.3
69.03423	35.3
69.07057	16.6
70.58339	4.6
71.01334	2.8
71.04982	9.5
73.02898	4.9
79.05488	44.1
80.68995	1.1
81.03409	100.0
81.07047	46.6
82.04186	1.5
83.04976	23.5
83.08614	23.2
83.55320	1.1
85.02426	2.3
85.02898	25.5
85.06527	4.4
87.04430	1.4
91.05470	42.1
93.06478	2.2
93.07034	31.5
95.04957	37.0
95.05556	1.8
95.08598	20.2
97.02879	32.4
97.06513	9.1
97.10161	11.1
99.04451	9.7
99.08045	2.9
103.03893	1.6
103.05460	1.4
105.07019	30.2
107.04938	18.5
107.08575	18.4
109.02873	14.2
109.06497	7.4
109.10146	22.0
111.04419	14.0
111.08070	11.7
113.05995	2.2
115.03901	3.8
115.05449	2.5
116.04623	1.5
117.07003	7.9
119.04916	3.9
119.08571	25.9
119.33810	1.3
121.06467	6.0
121.10142	16.5
123.04449	6.4
123.08055	7.8
123.11679	4.2
125.05964	2.2
125.09612	13.9
127.03905	10.5
127.11197	3.0
128.06201	1.9
129.05428	3.6
129.07002	13.9
131.04906	2.0
131.08556	16.8
133.06499	4.2
133.10098	13.0
135.04387	5.2
135.08049	4.6
135.11694	6.6
137.05942	3.7
137.09538	2.3
139.03810	1.4
139.11121	2.7
141.06929	2.2
143.03358	2.7
143.08516	3.4
145.06436	3.1
145.10120	9.6
147.04382	4.2
147.08049	5.5
147.11661	16.6
149.02303	1.3
149.05898	1.9
149.09618	8.1
151.07553	2.3
153.05434	3.1
153.12718	3.0
155.10663	1.4
157.10124	12.5
159.11656	2.5
159.22786	1.2
161.05969	2.4
161.09647	1.7
163.07478	1.6
163.11153	9.0
165.05415	1.4
165.09090	2.4
165.12672	6.4
167.10577	1.5
169.10043	1.5
171.06393	1.9
171.08049	1.6
171.10172	1.6
173.04420	5.0
173.05844	1.8
173.09578	3.2
173.11690	5.3
175.03935	3.6
175.11180	12.4
177.05423	2.4
177.12766	1.7
181.04950	1.7
181.12192	4.2
183.13736	1.3
187.11104	2.2
189.11206	5.4
191.10623	5.4
193.12228	41.0
198.48927	1.4
199.05981	3.4
199.13297	1.9
205.12225	3.4
207.06557	4.1
207.13731	1.7
209.11662	6.3
211.13263	47.6
211.15273	2.6
223.13254	2.0
227.12682	8.9
229.12292	2.2
229.14342	12.4
249.14961	1.9
255.15784	2.1
267.15842	11.8
283.15280	4.9
285.16983	7.3
287.05289	3.2
289.14343	1.8
301.16644	2.1
307.15329	1.6
313.15985	1.6
325.16614	2.6
337.16272	2.0
353.15747	1.5
355.17349	2.0
395.54681	1.4
411.19785	1.7
421.25681	9.3
427.19589	2.6
439.26825	10.6
447.26898	1.6
473.76904	1.5
475.26855	1.9
493.28018	6.8
495.29666	2.0
511.28671	2.5
606.36426	1.6
637.31757	4.2
655.33197	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	657.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.0
55.05501	3.5
57.03434	1.4
60.17827	1.3
62.51298	1.3
62.90261	1.3
67.05511	6.9
69.07063	4.5
71.52946	2.5
71.68626	1.8
78.94819	1.3
79.05475	5.9
81.07038	6.9
83.08627	1.8
91.05468	4.0
93.07042	4.9
95.04961	4.0
95.08604	2.0
97.06541	2.7
105.07021	4.8
107.04950	2.1
107.08582	2.2
109.06525	3.6
109.10119	2.0
119.08572	2.7
121.06502	2.0
121.10154	1.9
131.08611	1.9
133.10141	1.6
135.08014	2.2
145.06470	1.7
145.10056	1.6
149.09625	2.1
151.07529	3.3
159.11708	1.6
165.09137	1.4
167.41295	1.3
173.06015	4.9
177.09213	2.5
205.12267	1.7
273.18726	2.4
275.20117	5.6
291.19400	6.8
349.23795	3.2
365.23245	2.0
399.14346	1.7
411.14532	1.7
412.15250	3.4
413.16147	2.0
422.15045	1.4
425.11890	3.1
425.16766	2.8
426.13062	1.8
438.13165	2.9
439.14120	6.0
440.14587	4.1
441.15637	6.3
451.13892	3.2
452.15012	2.9
453.16272	2.3
454.16519	8.1
455.17114	4.7
465.15634	2.9
466.12219	2.4
467.12949	9.2
468.14612	3.2
481.14612	7.1
482.15784	5.1
483.16794	6.8
486.16089	3.7
495.12570	3.0
497.14960	2.1
509.15118	1.6
510.15527	4.2
511.15982	9.8
523.16150	10.3
524.16785	1.8
527.15613	1.9
541.17242	1.5
569.19604	4.2
597.19653	10.9
607.25787	2.9
615.20697	6.7
621.26672	2.1
639.42853	3.1
657.21851	100.0
658.22198	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	657.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90849	1.0
68.03653	1.0
71.30232	1.7
81.07043	1.4
121.10133	1.1
130.06519	1.1
132.08076	1.7
146.09668	1.2
147.50957	0.9
150.14925	0.9
156.08099	1.2
160.07466	1.1
174.09019	1.3
185.10768	1.0
209.10722	2.7
221.10690	1.9
223.12245	2.1
224.13052	1.3
233.10703	1.3
234.11705	1.0
235.12260	3.1
237.13879	2.2
246.11508	1.3
247.12292	3.3
249.13864	3.1
251.15468	1.8
255.11449	1.2
260.12958	1.7
261.13840	2.3
273.13776	3.1
274.13562	1.3
275.15524	1.2
286.13177	1.7
287.15579	1.9
288.11630	0.9
288.15793	1.9
290.13232	1.3
302.13165	1.0
312.15036	1.1
314.16666	1.6
318.16071	1.9
324.14410	1.1
326.16422	1.4
330.16052	1.2
332.13785	1.7
337.15390	1.5
338.16559	2.8
339.17160	1.5
340.17941	1.8
347.69821	1.0
348.14676	1.4
350.16089	2.0
351.16306	1.3
352.17801	1.7
353.18530	1.3
356.13574	0.9
362.15976	1.5
363.16455	3.1
364.17255	3.1
365.17798	4.7
366.19183	2.3
375.16342	1.3
376.17502	2.0
377.17953	5.4
378.18884	3.3
379.19333	7.2
380.20743	2.0
381.20837	3.0
389.17712	2.0
390.18979	2.1
391.14694	1.3
391.19598	6.2
392.20590	5.1
393.16992	3.9
393.20755	4.3
395.18604	3.0
395.22845	1.6
403.15283	1.8
403.19806	1.3
404.16360	1.3
405.16428	2.2
405.20822	4.1
406.21515	2.1
407.17703	4.9
407.22421	4.9
408.18860	5.9
409.20383	7.0
410.19424	1.1
414.21710	1.6
415.15640	1.5
416.17825	1.2
417.17059	2.8
418.18240	1.7
419.18198	5.4
420.19565	3.7
421.19510	8.6
421.24399	3.4
422.21191	5.7
423.21863	28.5
424.21640	3.1
426.21445	1.6
431.18723	2.8
433.20313	3.9
434.21069	3.0
435.21988	13.8
436.22836	7.7
437.24142	6.5
438.22363	1.5
444.22617	1.1
446.20993	3.1
447.21591	4.4
448.23193	1.1
449.23196	6.0
450.19928	2.7
450.24573	3.2
451.20624	7.0
452.22913	2.1
453.23285	1.7
454.19794	8.2
456.22882	2.7
461.23706	12.8
462.20871	3.5
463.21387	6.7
464.21716	3.3
465.23291	7.9
466.21036	3.2
467.24866	6.8
468.24753	4.3
469.26129	1.2
476.22382	2.7
477.23193	8.8
478.23300	4.3
479.25073	10.0
480.22083	1.3
481.22064	5.6
482.22894	1.5
491.20724	2.9
493.21585	13.6
494.26166	7.1
495.23444	19.6
496.24713	6.9
497.24747	1.2
504.24710	1.0
505.22211	3.2
506.23322	1.8
507.23666	3.5
508.24774	23.8
509.25549	17.7
510.26279	16.5
511.27240	17.6
516.24438	1.1
519.23553	3.1
521.25604	7.0
522.25714	3.9
523.23090	8.0
524.24097	1.3
525.28925	2.0
526.29773	2.1
537.25031	26.7
538.25623	12.5
539.26355	2.4
545.37946	1.9
549.24487	2.9
551.22803	1.7
553.28741	8.1
554.26331	1.1
555.25787	3.5
565.24579	4.6
566.24951	2.5
570.27936	4.8
581.27570	22.5
582.26532	2.4
583.25336	8.1
595.28687	1.4
596.27661	1.6
597.27057	58.2
598.27576	13.0
613.30157	68.0
614.30536	4.9
625.26501	100.0
626.26978	7.2
657.29102	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	657.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36891	0.9
58.49635	1.0
71.24368	2.3
79.08922	0.9
95.24390	1.1
107.40293	0.9
118.06516	1.1
140.23694	0.9
144.08049	1.4
145.07521	1.1
160.07523	1.3
174.09154	1.1
179.34067	0.9
181.89406	1.0
182.69911	1.0
183.09137	1.5
185.15610	0.9
199.08568	1.4
199.85107	1.0
221.10707	2.2
223.12254	2.3
233.10616	1.6
235.12231	2.7
237.13754	1.3
238.14474	1.2
247.12309	3.1
249.13927	2.9
261.13733	3.9
275.15518	1.6
276.15048	1.4
284.12726	1.4
285.13382	1.3
286.13605	1.2
287.15381	1.5
288.15277	1.1
289.16635	1.1
302.12778	2.6
304.14725	1.0
314.16425	2.0
318.15955	1.4
322.13269	1.8
326.16498	1.8
336.14767	1.2
337.15454	2.0
338.16412	2.0
340.18195	1.7
342.15680	1.4
349.15558	1.7
350.16138	1.9
351.16895	2.2
352.17755	3.3
362.16428	1.3
363.16095	3.2
364.17587	3.6
365.17728	3.8
366.18787	2.4
368.21432	1.2
374.16202	2.2
375.16534	1.9
376.17496	3.1
377.17587	3.8
378.18564	3.5
379.19272	7.3
381.21014	1.7
382.18765	1.5
389.17831	1.8
390.19739	1.6
391.14825	1.5
391.19727	5.7
392.16147	1.4
392.20288	3.5
393.16913	4.4
393.20789	4.6
394.18121	3.1
395.18475	2.4
402.25720	1.1
403.19461	1.8
405.16559	2.1
405.21136	2.9
406.22147	2.5
407.17709	5.5
407.22433	3.9
408.19299	5.9
409.20023	7.7
417.17303	2.0
418.18311	1.3
419.18448	4.3
420.19055	2.1
421.19879	10.0
421.25012	1.8
422.21286	5.7
423.21768	25.9
424.21835	2.1
426.21539	1.7
431.18542	1.5
432.20056	1.2
433.20276	1.7
434.21094	2.4
435.22107	11.4
436.22180	4.2
437.24033	6.3
438.22006	1.5
439.21088	1.3
442.20905	1.3
445.20297	1.3
446.20779	3.3
447.21527	4.3
448.19461	1.1
449.24213	5.6
450.24313	2.2
451.21252	7.3
452.21664	1.5
454.19949	6.0
456.22858	1.3
461.23721	10.0
462.20322	1.2
463.21204	5.5
464.22403	2.5
465.23117	5.4
466.23041	1.6
467.24884	6.3
468.24734	3.4
476.21875	2.3
477.23019	7.4
478.23221	4.1
479.24057	8.2
480.21689	2.1
481.22067	3.4
483.23257	1.7
491.20129	1.7
493.21179	10.3
494.27164	8.6
495.23511	15.0
496.24472	6.9
505.21936	1.4
507.23752	3.0
508.24725	18.2
509.25598	15.0
510.26309	14.7
511.27142	15.7
516.25275	2.0
519.23889	1.4
521.25928	9.3
522.25897	3.7
523.23346	7.5
525.28174	2.2
526.28308	3.5
537.25006	23.7
538.25586	13.6
549.24469	2.3
551.22534	1.8
553.28699	11.3
555.26019	2.3
565.24316	3.8
566.24628	2.4
570.28247	4.9
581.27521	29.0
582.25330	2.2
583.25616	7.7
596.27203	2.8
597.27039	56.3
598.27686	11.3
607.25201	2.2
613.30139	83.7
614.30286	4.1
625.26465	100.0
626.26459	4.0
657.29425	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	657.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35418	1.1
50.99591	1.0
51.02372	1.3
53.03928	2.6
55.01862	1.9
55.05499	5.3
57.07075	1.7
65.03937	2.1
67.05502	6.1
68.65630	1.1
69.07066	13.7
69.80428	6.6
78.04716	1.1
79.05486	7.2
81.07054	14.3
83.08615	4.6
83.96492	1.0
91.05475	27.1
91.06014	2.2
93.07030	4.8
95.04990	7.0
95.08604	5.7
98.20667	1.2
98.45772	1.0
99.27992	1.1
103.05465	4.9
105.07025	16.7
107.04956	7.2
107.08568	3.2
108.05770	1.7
109.06526	3.5
109.10153	5.7
111.11694	1.4
115.05428	5.2
117.06998	6.3
119.04929	9.7
119.08560	2.9
121.06492	48.7
121.07369	2.6
121.10168	1.7
122.06822	1.2
123.04412	1.2
123.08046	1.2
123.11664	1.8
128.06152	1.5
129.06995	2.2
131.04919	3.8
131.08546	3.7
132.05663	1.9
133.02846	2.3
133.06467	7.8
133.10136	1.6
135.04405	2.5
135.08060	13.8
136.05206	7.6
137.05975	28.2
137.13152	1.2
138.06773	8.8
139.07510	2.8
143.04933	1.5
143.08546	4.0
145.06485	9.8
145.10072	2.3
146.07248	7.6
147.04416	2.1
147.08041	6.1
148.08780	2.4
149.05968	87.2
149.09604	2.2
150.06656	3.9
151.07527	100.0
152.07886	4.1
157.06535	3.1
157.10109	2.8
158.07240	1.1
159.08017	6.6
159.11711	1.4
160.05153	1.3
161.05957	4.5
161.09607	1.7
161.13274	1.2
162.06760	3.6
163.06198	0.7
163.07524	22.7
164.08305	7.8
165.05461	4.1
165.09109	49.2
165.10506	2.6
166.09431	1.6
167.07080	7.4
171.08054	4.2
172.08835	2.4
173.05977	6.8
173.09631	3.0
174.06754	5.4
174.10469	1.4
175.07523	13.3
176.08258	3.1
177.05461	59.6
177.09074	22.8
178.05826	1.1
178.09839	7.9
179.10657	88.7
180.07811	2.7
180.10974	1.7
185.09621	2.3
187.07553	4.7
188.08304	7.1
189.09085	22.0
190.09941	1.8
191.07053	3.2
191.10645	14.7
193.08624	7.0
194.09169	1.6
195.06487	3.6
195.08257	2.4
195.10101	12.3
197.09581	2.0
200.08388	1.1
201.05540	1.2
201.09111	12.8
202.09789	5.5
203.10660	20.9
204.11345	6.3
205.08617	1.2
205.12254	5.3
207.10187	3.8
209.09639	2.7
211.11253	2.1
213.09103	3.2
214.09961	1.1
215.10660	17.9
216.11337	2.5
217.08751	1.9
217.12228	14.4
219.06549	3.5
219.13823	3.9
225.09145	1.4
226.09843	1.2
227.10707	1.7
229.12312	7.2
230.12817	2.1
231.10202	1.6
231.13783	7.5
233.09790	1.3
233.15395	4.5
237.09090	2.1
239.10435	1.8
241.12141	2.1
243.13828	4.5
245.15407	8.7
249.09074	1.8
251.10660	1.5
252.11234	1.6
255.10216	1.9
257.15372	1.5
262.09631	2.1
265.08597	4.1
267.10217	2.9
268.10904	2.0
269.11734	1.9
271.17023	2.3
273.18423	2.1
279.10190	2.5
280.10962	7.3
281.08215	2.1
283.09610	1.1
285.18472	4.4
286.19272	5.5
287.19971	1.4
293.11630	2.8
296.10504	2.9
297.14929	2.2
297.18381	2.9
306.87326	1.2
307.13303	1.3
311.12772	38.7
315.16010	2.4
322.12091	1.5
325.14337	4.5
327.12326	2.1
327.15808	2.1
335.12982	1.5
339.12241	6.9
339.15759	1.4
343.15152	1.7
349.14395	1.4
351.12280	1.3
351.15927	5.3
353.13657	4.0
353.17578	1.6
357.13181	2.2
379.15176	5.7
381.16916	28.2
381.21463	1.9
382.17007	1.4
393.16925	1.4
395.18503	2.5
407.18256	2.3
431.22906	1.4
435.25262	23.9
436.25858	3.0
463.24594	9.2
536.60693	1.3
611.33459	2.4
657.33795	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60871	3.7
53.03922	7.5
55.01866	5.7
55.05511	27.0
57.03419	7.4
57.07054	9.2
65.03924	4.9
67.05500	49.3
67.91048	3.4
69.03421	18.9
69.07057	37.5
69.37710	38.1
71.04971	6.4
79.05484	31.6
81.03419	42.5
81.07047	100.0
83.04961	17.7
83.08600	16.2
85.02890	17.9
85.06529	6.7
91.05477	28.8
93.07029	58.6
95.04952	16.9
95.08596	77.3
97.02879	11.6
97.06503	11.1
97.10148	16.6
98.20692	3.7
99.04412	7.7
99.08078	4.6
103.05422	4.1
105.07020	41.3
107.04969	10.1
107.08576	50.8
109.02859	14.2
109.06470	11.0
109.10140	46.1
111.04398	8.6
111.08037	8.1
111.11705	6.9
115.05435	6.0
117.06982	11.3
119.04930	4.4
119.08562	40.6
121.06499	11.5
121.10133	46.5
123.04443	8.0
123.08009	6.9
123.11671	24.1
125.09612	10.2
127.03893	16.8
129.03342	4.2
129.06976	9.6
131.08549	8.5
133.10107	30.1
135.07968	7.9
135.11671	23.7
137.05948	11.9
137.09592	7.2
137.13289	7.4
139.07547	4.5
139.11183	6.9
143.08607	4.7
143.84734	3.7
145.06427	5.7
145.10086	13.3
147.04376	9.5
147.08110	4.0
147.11658	32.7
149.05966	6.7
149.09578	7.4
149.13254	40.9
151.03833	5.6
151.07504	6.7
151.11148	10.3
157.10152	11.9
159.08078	4.5
159.11649	17.0
161.06047	5.1
161.13234	14.9
163.07524	6.2
163.11134	4.9
163.14813	13.3
165.05492	7.2
165.09065	12.9
165.12709	9.6
167.07010	8.4
173.13205	11.3
175.03874	5.8
175.11128	6.6
175.14801	8.3
177.05440	10.7
177.16429	5.6
181.04926	7.6
184.00302	3.7
185.13182	5.8
187.14819	6.5
189.16318	10.3
193.12227	9.4
205.12253	4.6
211.13277	9.0
227.17796	4.9
243.20621	4.1
269.22571	7.2
277.25085	5.9
285.16928	8.7
287.23639	7.3
305.24640	30.6
306.25580	4.6
334.15558	4.4
336.77252	4.1
383.25812	5.8
395.25726	4.7
413.26840	8.7
431.27893	10.6
441.33780	4.5
449.29114	26.2
459.34601	5.3
467.30200	12.5
477.18820	4.8
495.36380	10.6
657.28320	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	659.234
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
55.01870	1.0
67.05491	1.6
69.03418	0.8
69.07053	1.3
69.98129	4.0
79.05485	1.8
81.07007	1.5
85.02894	0.9
88.36309	0.7
88.98052	0.7
91.05471	1.2
93.07040	2.0
94.91941	0.8
95.04971	0.7
95.08592	1.4
97.02879	1.4
101.10765	0.7
118.05054	0.7
119.08592	1.3
123.55726	0.7
165.05467	0.8
192.70294	0.7
206.38907	0.9
249.96661	0.9
362.13968	0.8
385.12982	2.9
386.13843	1.1
398.13879	2.1
399.10187	0.8
399.14575	4.8
399.19629	0.8
400.15210	6.9
401.15707	1.2
410.14548	1.4
412.15414	1.8
413.16226	5.6
414.16989	4.7
421.12885	2.8
422.13565	4.0
423.14398	6.0
424.15509	2.3
425.16235	1.6
426.16974	2.0
427.13379	1.6
427.18127	1.7
428.18304	2.5
429.19394	3.8
430.19662	1.1
435.14670	2.5
436.15625	5.4
437.16284	8.5
438.16916	3.3
439.18491	0.8
441.15729	2.8
442.16690	3.0
443.16895	1.2
449.16110	2.5
450.17798	3.5
451.18323	5.1
452.18176	3.0
453.15863	1.1
455.17505	4.7
456.17935	4.7
457.18124	0.9
459.15872	1.2
464.14877	2.4
465.15262	3.3
465.19745	2.6
467.17130	2.4
468.18356	1.4
469.14264	3.6
470.15811	1.1
478.16245	2.3
479.18011	3.9
480.18112	3.5
481.15228	3.2
482.15546	1.4
483.16470	7.6
484.16965	4.7
492.14404	1.0
493.19055	8.9
494.16321	2.7
495.16376	6.2
496.17514	2.9
497.14633	2.4
498.15521	2.9
506.16046	2.1
507.17139	4.1
508.17502	6.2
509.18091	3.7
510.18784	1.1
511.16495	6.2
512.16602	11.0
513.17261	1.8
515.18890	1.0
516.23572	1.8
521.18280	11.5
522.16235	3.9
523.15637	1.1
524.16772	1.2
525.18091	3.0
526.14716	1.5
533.18317	1.1
535.16107	2.2
538.18610	1.4
539.19293	9.6
540.17786	4.9
541.17175	1.4
543.22345	5.4
549.17719	1.1
551.19336	6.2
553.21375	13.3
567.19122	1.0
571.22003	10.2
572.21893	4.2
581.20288	40.3
582.20886	3.2
585.23468	2.8
595.18530	3.2
599.21143	26.0
600.21503	4.4
609.19916	1.5
613.22894	29.0
614.23071	1.6
622.22986	4.7
627.20795	14.8
631.24286	4.0
641.22394	100.0
642.22491	6.0
659.23328	23.9
660.23639	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	659.234
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
51.90807	0.8
67.05488	0.9
67.49740	0.6
70.87633	0.7
70.87966	1.3
71.92377	0.6
73.79981	0.6
79.05495	0.8
81.07040	1.4
93.25995	0.6
95.08620	0.7
105.07024	0.9
109.10118	0.6
132.52908	0.6
151.07558	0.9
201.53287	0.6
223.17661	0.6
254.63898	0.6
263.53397	0.7
270.12439	0.9
385.13049	2.0
386.13623	0.9
398.13940	0.7
399.14307	3.3
400.15204	8.3
401.15884	1.7
408.12265	1.5
409.13464	0.7
410.14124	0.9
411.14682	0.7
412.15390	0.9
413.15988	3.1
414.16922	3.9
415.17435	0.8
421.12698	3.1
422.13644	5.7
423.14575	5.5
424.15247	2.5
425.15607	1.4
426.17047	0.7
427.18170	1.6
428.16635	1.4
429.19418	4.1
430.19363	0.6
435.14499	4.0
436.15436	6.4
437.10852	0.6
437.16211	11.5
438.17056	3.2
439.17831	0.8
440.14694	0.8
441.15683	2.6
442.16660	1.3
449.16141	2.2
450.17145	3.2
451.18289	6.4
452.19156	3.7
453.15607	1.0
455.17676	3.0
456.18195	1.5
457.17599	0.9
463.14218	1.2
464.14288	3.7
465.15149	3.8
465.19708	3.8
467.17267	3.3
468.18573	0.8
469.14221	3.1
470.15762	1.2
477.15869	0.7
478.16324	3.8
479.17477	3.5
480.18396	5.1
481.14624	1.8
481.19617	1.2
482.15695	1.8
483.16376	4.4
484.16833	3.0
492.17957	1.2
493.19049	12.3
494.15848	3.7
494.19559	2.5
495.16266	6.4
496.17468	3.4
497.18280	1.7
498.14902	3.6
506.16110	1.3
507.16736	3.2
508.17349	8.1
509.18063	5.8
510.19092	0.9
511.20642	3.8
512.16498	10.1
513.17133	2.0
515.19995	1.1
516.23724	1.9
521.18219	13.7
522.16101	4.7
523.19751	1.2
525.20422	1.1
526.14935	2.0
537.18597	0.9
538.18750	1.4
539.19220	3.0
540.20093	3.3
543.22668	3.1
550.18060	1.0
553.20776	21.5
554.21014	1.3
571.21741	4.4
572.22260	4.2
581.20270	49.8
582.20282	3.3
594.24261	0.8
599.21075	26.9
600.21576	5.8
609.19733	0.9
613.22864	27.1
614.23218	2.0
622.23163	3.7
627.20856	1.4
630.23499	0.8
631.23834	6.8
632.24432	0.9
641.22369	100.0
642.22382	7.0
659.23303	34.7
660.23590	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	659.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	8.5
69.03423	5.0
69.07074	1.8
69.25268	6.5
69.25684	12.2
70.06582	3.3
79.05502	2.9
81.07055	3.2
83.04988	2.9
85.02912	9.7
91.05480	8.7
95.04962	4.5
95.08644	4.6
97.02853	2.6
98.20806	4.2
105.07005	11.4
106.07447	1.8
107.04974	3.5
107.08604	3.9
109.02879	2.1
109.06510	2.5
109.10147	27.9
111.04442	3.2
117.07030	3.2
119.04932	6.9
119.08553	11.9
121.10128	5.7
123.04420	88.9
123.11690	3.9
124.04765	2.3
127.03931	3.6
129.06970	2.2
131.08536	3.1
133.06470	5.7
133.10127	2.1
135.04411	5.1
137.06003	3.2
139.03891	100.0
140.04291	2.2
145.10098	10.5
147.04369	25.0
147.07996	3.0
147.11702	19.3
149.05965	2.8
149.09554	3.3
151.03925	7.4
151.07550	2.4
155.08740	2.8
156.09264	2.5
157.06409	2.4
159.08057	2.6
161.05989	8.5
163.03964	6.8
165.05478	24.9
171.11696	5.5
175.07613	2.2
177.05528	6.6
179.06978	3.1
185.06085	1.9
189.05467	9.8
189.12717	50.5
191.07025	2.6
197.91971	1.8
203.07016	67.3
204.07384	2.1
205.04939	5.5
207.06519	7.7
207.13829	11.4
215.07072	2.8
217.08621	9.2
219.06534	7.5
225.09183	2.1
227.07018	10.3
228.07782	8.5
229.08551	9.7
241.08678	2.9
245.08061	35.3
247.09668	3.4
257.08160	3.4
259.09589	4.4
271.09653	2.8
273.07562	24.4
273.14758	5.7
285.14728	9.2
289.10648	6.7
291.08624	43.9
303.15912	12.7
309.14737	5.4
327.15869	21.3
339.15842	3.9
345.16940	46.9
346.16928	2.1
359.18454	3.0
379.11673	21.4
397.12759	17.6
398.13284	2.3
400.44366	2.2
405.13388	2.4
423.14108	2.1
461.19482	16.9
479.13654	2.7
479.20593	51.7
497.21606	20.9
507.22223	34.5
641.25861	18.8
659.26569	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	659.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41518	0.8
53.03939	6.2
55.01876	5.2
55.05507	10.3
57.03435	21.2
57.07074	1.5
59.05005	1.1
61.02922	74.4
62.20310	0.9
65.03934	1.2
67.05501	40.8
69.03423	35.3
69.07056	11.0
71.01352	2.8
71.04993	5.9
71.08646	1.3
71.13768	2.1
71.14133	1.5
73.02498	1.5
73.02912	27.7
75.04475	1.6
79.05486	24.6
81.02975	1.7
81.03417	21.8
81.07049	40.1
83.04971	4.3
83.08618	4.4
85.02899	100.0
85.06510	1.0
87.04473	2.7
91.03948	60.2
91.05472	17.4
93.07037	29.6
95.04976	5.8
95.08601	35.3
97.02884	77.5
97.06513	2.1
97.10161	3.0
99.04445	11.3
99.08104	1.6
101.02362	8.0
103.03936	7.5
105.07029	13.4
107.04959	1.7
107.08581	15.7
109.02876	13.8
109.06535	2.3
109.10154	13.1
111.04456	4.5
111.08067	2.0
115.03915	7.4
117.05510	2.4
117.07008	5.0
119.08571	10.5
121.06548	2.0
121.10139	14.8
123.11698	4.1
125.09667	1.1
127.02955	1.7
127.03909	34.2
129.05482	4.9
129.06987	3.0
131.08568	9.7
133.06445	2.0
133.10117	11.7
134.07869	1.0
135.08066	1.4
135.11678	10.1
137.05978	1.4
137.13260	1.6
141.06964	1.2
143.08609	2.0
145.04944	23.1
145.10129	7.6
147.06505	1.4
147.11664	9.7
149.09619	2.0
149.13268	6.6
151.07555	1.8
157.10143	2.7
159.06543	1.5
159.11679	6.9
161.09669	1.2
161.13266	6.0
163.06012	10.0
163.11188	1.1
163.14801	3.5
165.05336	1.2
171.06604	1.3
171.11694	2.6
173.13239	6.2
175.11325	1.4
175.14880	1.5
179.14386	2.5
183.06499	6.2
183.11658	1.8
185.13240	2.5
187.14859	2.7
193.12309	1.7
199.14754	1.2
201.07625	4.8
206.12660	1.0
211.13260	1.4
243.21021	6.0
259.20605	2.6
261.22107	14.0
273.22177	1.0
277.21759	3.3
285.22134	1.1
289.21710	1.2
301.21753	1.4
303.23065	1.2
315.22983	1.6
317.24731	1.6
332.30676	1.0
335.25778	61.0
336.26212	2.2
345.23837	1.4
363.25262	2.8
369.24203	2.5
443.27814	2.3
461.28964	1.6
479.29919	6.9
561.37720	4.1
581.20172	1.5
649.67920	1.2
659.36121	3.0
681.35107	1.3
687.59473	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	26.5
59.36714	8.6
61.65040	9.1
65.03918	11.7
67.05497	44.8
69.03415	25.5
69.07056	57.2
69.82266	34.6
69.82701	33.3
71.04971	17.5
79.05482	29.4
81.03403	40.4
81.07044	100.0
83.04970	11.0
83.08600	29.6
85.02926	20.7
85.06550	20.6
86.09709	10.4
91.05464	42.0
93.07042	64.0
95.04936	28.2
95.08601	86.2
97.02878	12.8
97.06538	23.5
97.10158	22.4
99.27608	10.2
105.07020	33.7
107.04939	16.8
107.08569	48.1
109.02874	13.1
109.06496	20.0
109.10146	57.0
111.08099	22.7
111.09676	9.1
119.04915	20.8
119.08555	32.6
121.06473	19.3
121.10120	50.8
123.04408	25.8
123.08049	15.1
123.11700	37.4
125.09613	11.4
127.03863	16.7
131.04941	14.4
131.08539	23.0
133.10117	23.8
135.11687	21.6
137.05968	41.1
137.09648	13.3
139.03871	13.1
139.07527	20.4
145.02823	14.5
145.10152	17.0
147.04404	30.3
147.11664	21.1
149.05983	16.7
149.09668	14.0
149.13260	20.8
151.03922	17.4
151.07620	21.0
151.11157	10.2
159.11676	20.7
159.93474	10.1
161.13188	18.1
163.07541	13.3
163.14850	15.7
165.05519	11.4
165.09140	29.1
167.07047	34.5
175.03932	12.6
175.07542	10.8
177.05475	35.8
179.07005	21.0
181.04944	57.2
184.07452	14.9
191.06993	14.0
191.14301	15.0
205.08745	10.6
207.06534	48.1
209.08069	34.3
221.08093	12.9
225.07617	9.4
415.28354	12.9
433.29337	41.0
451.30396	24.4
461.36032	22.9
464.32877	9.4
479.37335	42.5
497.38492	51.0
659.35016	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.01856	3.3
55.05490	2.6
57.07065	2.1
67.05491	5.4
70.92097	1.9
71.53067	3.5
78.04700	2.6
79.05477	15.0
81.03465	3.3
81.07028	5.7
87.44088	1.8
91.05470	12.0
93.07027	5.1
95.04963	12.4
95.08573	3.0
96.05725	2.9
103.05452	6.1
104.06272	2.9
105.07021	16.3
106.07329	2.2
107.04962	10.4
107.08574	3.3
108.05730	10.7
109.02879	2.1
109.06497	6.6
111.04445	2.4
115.05464	2.2
117.06999	6.9
118.04153	3.1
119.04924	9.2
120.05714	5.0
121.06501	19.5
122.07230	4.4
123.04386	8.2
124.05206	17.8
125.05994	4.7
131.04912	4.4
132.05652	3.3
133.02782	2.7
133.06482	10.1
134.07248	6.8
135.04366	6.6
135.08058	10.7
137.05942	8.2
138.06749	54.0
139.07527	93.4
139.08630	4.9
143.08565	3.0
145.06421	4.2
146.07249	22.5
147.04381	4.6
147.08092	2.3
148.05127	5.7
149.05997	10.4
150.06776	24.6
151.07530	100.0
153.05441	3.6
161.06021	4.8
161.72188	2.2
162.06750	22.6
163.03923	2.2
163.07550	28.3
164.08307	6.7
165.05435	8.6
165.09103	80.3
165.10507	4.0
166.09894	26.7
167.05637	3.4
167.07028	55.0
168.07809	26.6
177.05507	2.3
177.09096	45.8
178.06178	2.7
186.41016	2.3
188.34364	2.2
193.08604	29.8
194.09377	68.4
194.11160	3.3
195.10023	4.7
256.26361	2.3
275.20059	2.5
294.12253	2.2
306.31195	2.1
463.30710	2.4
597.81543	2.2
660.36725	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	660.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01875	0.7
55.05507	6.7
57.03432	5.1
57.07053	0.8
61.02924	4.0
61.03173	0.7
65.03918	0.9
67.05498	31.1
69.03436	0.7
69.07061	8.2
70.00587	3.1
71.04983	3.0
73.02893	0.9
79.05488	18.1
81.03389	2.0
81.07048	39.6
83.04985	3.1
83.08614	9.0
85.02898	2.5
85.06528	2.4
91.03937	1.3
91.05466	12.8
93.07034	28.9
95.04951	2.5
95.08588	11.2
97.02869	1.8
97.06515	5.0
97.10152	1.4
98.21442	0.9
99.08077	1.3
99.46713	0.8
105.07015	6.8
107.04927	1.4
107.08582	15.4
108.08918	0.7
109.06500	2.1
109.10144	3.2
111.08064	2.7
117.07015	6.7
119.08548	3.0
121.06491	1.9
121.10134	8.5
123.11703	2.6
125.09604	0.9
129.06995	1.2
131.08548	8.6
133.10114	9.3
135.08031	1.6
135.11691	6.5
143.08559	1.9
145.06557	0.7
145.10109	2.6
147.11597	1.4
149.13249	12.4
151.11180	1.3
155.08490	0.9
156.07278	0.6
157.10133	1.7
159.11684	7.8
159.16690	0.8
174.00620	0.7
177.12723	3.0
181.10153	0.8
195.11952	1.1
195.13779	8.6
251.16412	2.0
267.68835	0.8
269.17450	32.6
335.23544	0.9
353.24820	1.5
371.25885	2.4
389.26886	0.8
423.20547	0.8
427.28217	1.0
431.32352	0.7
445.29413	12.0
446.29654	0.8
461.50656	0.8
463.30502	100.0
464.30798	6.9
481.31577	1.4
607.34509	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	660.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42879	0.4
53.03928	1.9
55.01855	1.4
55.05505	7.3
57.03432	8.9
57.07057	1.3
61.02915	2.0
65.03915	1.4
67.05499	40.6
68.05818	0.6
69.03418	1.2
69.07063	15.2
71.04987	3.5
71.08598	0.6
71.52394	0.6
71.52874	0.7
73.02912	1.0
79.05486	21.9
80.60210	0.5
81.03391	1.6
81.07047	54.9
83.04977	4.1
83.08613	10.8
85.02882	1.8
85.06527	3.4
91.03942	0.6
91.04904	0.8
91.05470	13.0
92.05814	0.4
93.07032	40.6
95.04954	3.5
95.08597	12.5
97.02887	1.1
97.06517	7.8
97.10180	1.3
99.04424	0.5
99.08066	2.1
105.07024	5.1
107.08581	23.5
109.06497	1.9
109.10140	2.4
111.08060	5.0
111.11668	0.6
113.05990	0.6
113.09644	0.8
117.07004	5.4
119.08566	1.6
121.06519	1.6
121.10132	13.7
123.08038	0.5
123.11699	1.7
125.09582	0.5
127.07587	0.6
127.62717	0.5
131.08560	6.2
133.10150	5.4
135.08054	1.7
135.11691	5.2
139.11177	1.0
147.11644	0.5
149.09615	0.8
149.13237	22.7
150.13657	0.5
151.07556	0.7
151.11211	0.7
157.10141	0.7
159.11665	9.3
165.09113	0.8
165.12762	0.5
167.14317	0.6
177.12744	4.4
195.13771	7.2
206.68637	0.5
213.14877	1.3
269.17453	58.8
270.17804	1.6
445.29266	0.7
463.30499	100.0
464.30658	4.0
510.77515	0.5
543.91620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01312	1.5
53.03930	7.4
55.01859	3.3
55.05505	17.5
55.28761	1.7
57.03436	21.9
57.07064	2.0
61.02922	79.6
64.21440	1.5
65.53129	1.6
66.80665	1.5
67.05499	45.4
68.05820	1.8
69.03423	33.6
69.07063	16.8
69.12558	1.7
70.35510	6.9
71.01347	4.2
71.04974	6.5
71.08649	1.9
73.02906	28.1
73.57603	1.6
73.83512	1.6
75.04498	2.1
79.05489	17.3
80.54298	1.5
81.03410	25.4
81.06583	2.6
81.07049	45.2
83.01338	3.0
83.04951	4.0
83.08607	14.3
85.02896	100.0
85.06519	1.8
87.04424	2.8
91.03413	3.4
91.03948	50.3
91.05458	12.1
93.07034	22.2
95.04933	2.3
95.08598	38.0
97.02882	76.9
97.06512	3.0
97.10168	5.2
99.04450	15.1
101.02360	7.3
102.01119	1.5
103.03915	7.4
105.06997	11.2
107.08562	12.7
109.02875	12.6
109.06503	2.8
109.10144	18.7
111.04413	2.4
115.03922	5.2
117.05476	3.2
117.06953	1.7
119.08592	8.9
120.62857	1.9
121.10139	8.7
123.04473	2.1
123.08008	2.5
123.11713	10.0
127.03913	33.4
129.05461	6.5
131.08559	3.3
133.10115	8.3
135.11665	7.0
137.13219	4.2
141.05415	2.4
145.04939	21.4
147.11665	4.2
149.13234	7.0
151.07599	2.7
159.06535	2.6
161.13268	3.8
163.06018	5.6
163.14789	3.9
165.09106	2.3
171.11513	1.7
175.14758	4.1
183.06528	8.3
201.07584	6.0
243.21066	2.7
245.22586	9.8
250.43738	1.9
261.22034	3.1
263.23694	14.0
335.25757	3.4
337.27328	74.2
338.27637	4.8
365.26749	2.3
371.25571	4.5
445.29709	3.6
463.30515	3.3
481.31174	10.5
593.52612	1.9
607.36426	1.7
661.37628	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	662.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
54.03917	0.6
55.01850	1.3
55.05501	2.4
57.03411	0.8
61.02906	0.8
65.03960	0.9
67.05492	3.5
69.03422	9.5
69.07063	4.9
69.44006	3.9
69.44420	2.1
79.05479	2.6
81.03406	1.1
81.07050	5.4
83.08627	1.1
85.02903	6.2
91.05481	4.2
93.07039	4.8
95.04957	2.5
95.08596	8.0
97.02866	2.3
98.20808	1.6
105.07018	7.2
107.04918	1.8
107.08607	6.5
109.02862	1.6
109.06507	1.1
109.10138	5.5
115.47598	0.7
117.06995	1.7
119.04938	5.2
119.08569	23.7
121.02874	0.8
121.06470	3.6
121.10124	6.5
123.04417	49.0
123.08042	0.8
123.11700	3.3
124.04763	1.6
125.05952	0.7
127.03865	1.9
131.08543	2.0
133.09108	1.4
133.10123	27.3
135.04428	1.6
135.08078	1.6
135.11681	10.2
137.06001	3.4
137.09596	2.5
137.13284	1.2
139.03894	5.0
141.05452	2.9
143.04996	1.2
145.06526	0.7
145.10083	1.5
147.04398	22.1
147.07996	0.8
147.11652	5.1
148.04799	0.8
149.05968	5.7
149.09647	1.0
149.13263	2.4
151.03873	11.3
153.05478	5.9
161.05980	5.9
163.03876	2.1
163.07549	4.7
165.05466	100.0
166.05772	3.1
167.07033	5.0
171.08089	0.7
173.05981	1.4
173.13261	3.8
175.07516	2.9
175.14810	71.2
176.15211	1.1
177.05453	13.1
179.07059	7.1
181.04982	1.3
181.08693	0.9
188.64757	0.7
189.05444	7.7
191.07004	23.1
193.08591	10.3
193.15863	10.9
195.06509	2.8
201.09145	0.8
203.07091	1.3
205.08644	2.1
207.06541	7.4
215.06943	0.9
219.10141	2.2
221.08064	0.8
229.08702	1.2
231.06458	1.1
231.10013	1.0
233.11681	2.3
243.10249	1.1
257.11697	1.5
271.13345	1.0
285.07568	1.6
291.08691	1.2
299.09076	5.8
303.08661	4.8
304.08929	0.9
309.09766	1.3
313.17938	38.5
314.18198	0.9
315.19873	0.8
317.10172	67.5
318.10626	3.8
325.10681	2.3
329.10159	2.2
331.19003	39.1
341.10107	4.0
343.11731	3.4
343.18832	1.2
447.21713	4.0
461.13989	1.5
465.22778	7.8
479.15033	1.5
483.23676	8.6
493.24283	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	662.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01871	2.9
55.05503	3.9
57.96125	1.2
59.85242	1.2
61.02907	1.5
63.60352	1.4
67.05490	4.8
69.03422	11.7
69.07057	7.5
69.99072	7.0
74.84594	1.2
79.05475	5.4
81.03406	5.1
81.07066	8.3
83.04974	2.1
83.08610	2.0
85.02902	8.7
91.05471	5.2
93.07051	7.2
95.04956	3.0
95.08609	13.0
97.02877	3.4
97.06494	2.2
97.10162	2.5
105.07033	8.8
107.04976	2.2
107.08596	12.5
109.02866	4.7
109.06495	2.2
109.10171	7.2
119.04961	8.2
119.08579	18.2
121.02926	1.3
121.06467	3.9
121.10155	9.6
123.04427	53.0
123.08046	1.7
123.11719	4.6
124.07593	3.1
127.03888	4.2
131.08598	2.4
133.06552	1.6
133.10139	26.8
135.04395	2.0
135.11684	10.7
137.05960	8.3
137.13243	2.5
139.03889	4.4
141.05437	3.5
141.47385	1.2
142.08607	2.1
145.02858	1.6
145.10080	3.1
147.04408	23.7
147.11662	3.7
147.75122	1.2
149.05962	4.1
149.13297	6.4
151.03893	12.4
151.07564	1.9
153.05463	6.6
157.10004	1.4
159.11769	1.7
161.05952	4.6
163.03929	3.1
163.07538	2.7
165.05472	100.0
166.05931	1.3
167.07065	9.5
168.59158	1.2
173.13217	3.6
175.07567	3.0
175.14824	61.3
176.15103	1.5
177.05455	13.7
177.16434	1.6
179.07059	7.3
181.04944	4.0
184.07292	3.6
187.14764	1.3
189.05489	8.9
191.07019	11.9
193.04991	1.8
193.08575	17.7
193.15898	8.0
195.06493	4.7
203.06868	1.3
205.08617	3.3
207.06516	8.8
219.10225	1.3
231.06445	3.0
231.10278	1.5
233.08025	1.7
299.09174	5.8
303.08630	7.4
304.08914	1.4
313.17960	16.1
314.17657	1.4
317.10184	81.5
318.10291	2.9
325.10870	2.1
329.10318	2.3
331.19025	29.9
341.10065	3.5
343.11826	4.4
447.21619	3.1
465.22665	22.1
475.23077	4.8
483.23755	24.0
493.23859	2.4
501.76480	1.5
510.65176	1.3
645.29010	2.1
662.37390	2.8
663.19775	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.5
55.05488	2.7
57.03416	1.0
58.87652	0.6
61.02903	0.9
64.51294	0.8
67.05494	4.1
69.03419	10.9
69.07055	6.2
70.31808	2.5
70.32196	1.7
79.05482	3.8
81.03408	2.3
81.07050	5.7
83.04968	0.8
83.08611	1.9
85.02905	6.3
91.05453	6.7
93.07031	6.4
95.04944	2.6
95.08604	10.1
95.39257	0.8
97.02872	2.5
103.05440	1.6
105.07009	10.4
107.04944	1.4
107.08572	8.9
109.02839	1.9
109.06473	1.0
109.10152	6.5
111.04433	1.0
115.05364	1.3
117.07037	2.0
119.04926	6.2
119.08566	26.5
121.06473	4.6
121.10133	5.4
123.04417	49.5
123.11686	2.5
127.03878	1.3
131.04915	1.1
131.08585	1.2
132.45810	0.8
133.06525	1.0
133.10115	32.8
134.10477	1.1
135.04378	2.7
135.08055	1.0
135.11670	10.2
137.02364	0.9
137.05998	4.5
137.09581	2.2
137.13231	2.1
139.03845	4.5
141.05463	2.5
145.10097	1.1
147.04391	22.1
147.08034	0.9
147.11681	6.0
148.12007	1.0
149.05954	6.8
149.13208	2.3
151.03900	11.7
151.07445	1.1
153.05470	6.4
160.12474	1.3
161.05983	5.6
163.03842	2.3
163.07544	4.5
165.05463	91.0
166.05777	1.3
167.07062	4.5
173.05850	1.4
173.13249	3.9
175.07516	2.4
175.14809	100.0
176.15097	2.6
177.04010	1.4
177.05464	13.0
179.07034	5.5
181.04976	1.2
189.05444	5.7
191.07024	22.2
193.04970	1.1
193.08604	11.8
193.15863	17.3
195.06467	2.5
203.06967	1.6
203.38783	0.9
205.08572	2.5
207.06548	9.6
217.08530	1.5
219.10199	1.3
243.09972	1.4
249.07619	1.1
257.11685	1.4
285.07440	1.3
291.08655	1.4
299.09213	3.6
299.59940	0.9
303.08563	5.1
313.17950	25.7
317.10165	59.7
318.10400	2.2
325.10739	2.3
329.10229	2.2
331.18991	26.7
341.10110	3.3
343.01740	0.8
343.11642	3.2
360.64828	0.8
387.04352	1.0
447.21606	2.3
461.14243	1.2
465.22632	8.4
477.19052	0.8
479.15128	1.7
483.23639	11.9
493.24194	1.2
554.10150	0.8
631.18915	1.0
647.76135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87930	1.4
53.03934	3.3
55.01864	3.0
55.05506	15.9
57.03437	15.3
57.07056	1.6
61.02917	4.3
62.85201	1.4
65.03928	2.1
67.05499	44.3
69.03405	3.0
69.07061	13.0
70.32339	6.6
71.01335	3.4
71.04977	6.0
78.46040	1.9
79.05061	2.9
79.05487	43.5
81.03415	60.4
81.07053	28.1
83.04977	16.5
83.08619	19.0
85.02903	15.1
85.06514	2.1
91.05473	35.4
93.07035	46.9
95.04967	22.3
95.08595	13.7
97.02878	4.4
97.06522	9.5
97.10166	10.6
105.07015	16.8
107.04939	7.4
107.08582	24.3
109.06494	5.0
109.10142	6.3
111.04446	3.2
111.08061	9.7
113.05947	2.6
117.07013	4.4
119.08582	20.0
121.06452	3.0
121.10154	9.7
123.08063	1.8
125.09566	2.1
129.07001	9.0
131.08577	9.3
133.10109	10.9
135.11678	43.1
137.09596	1.9
145.10101	7.0
147.11658	12.5
149.09592	6.2
157.10094	13.1
163.11160	6.5
165.12704	2.4
175.11150	13.3
181.12225	10.1
184.07330	3.5
193.12216	39.7
199.13400	2.2
211.13278	53.6
249.14705	2.5
255.15892	78.8
267.15894	29.2
268.16287	2.2
275.77975	1.8
285.16931	33.5
391.03061	1.6
391.69803	1.7
403.24438	2.1
442.16479	1.9
447.27377	76.6
448.27814	5.0
465.28473	100.0
466.28653	5.4
525.16321	2.1
630.22076	5.2
662.24780	4.1
672.24030	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
59.03749	0.8
60.67363	0.9
65.03938	1.2
69.03411	1.8
69.52333	6.2
78.04706	1.3
79.05520	4.3
81.03406	1.7
81.07034	1.9
81.92883	0.9
85.02872	1.3
91.05484	5.4
93.07042	2.9
95.04960	1.6
97.02892	1.7
103.05432	2.1
105.07014	5.1
106.04150	1.1
106.92738	0.8
107.04935	8.6
115.05437	2.7
117.07002	1.4
118.12632	1.0
119.04955	1.5
119.08528	1.2
121.06512	2.3
121.10159	1.0
123.04391	6.2
124.05188	4.1
124.05995	1.0
126.33488	1.0
129.07027	1.2
131.04910	2.4
131.08598	2.3
133.06487	3.6
134.03659	1.6
136.05182	1.0
137.05969	6.6
141.06973	1.4
143.08537	1.2
144.05693	1.2
145.06473	3.6
147.04414	1.3
149.05927	2.4
151.03876	1.3
151.07520	2.3
152.04662	2.6
153.05515	1.5
155.06119	1.1
157.06464	1.0
158.07376	1.0
159.08011	3.1
161.05962	6.4
163.03903	2.2
163.07497	1.9
165.05469	1.2
165.08977	0.9
167.07022	100.0
168.07440	1.8
170.07236	1.1
171.08052	1.1
173.05966	3.3
177.05452	4.2
178.06244	3.2
178.07761	1.0
179.07001	2.4
179.08430	1.0
181.08548	7.3
187.07503	2.5
190.06172	1.1
191.06908	2.1
193.08571	11.2
195.06525	1.3
195.08168	1.3
205.08569	4.0
207.08084	1.4
209.07944	1.2
217.08549	3.8
219.08073	2.0
219.10156	3.3
223.07744	1.3
223.09576	6.1
225.09085	1.1
231.10133	1.3
232.08931	1.1
233.09634	2.1
235.07527	1.3
237.09184	1.1
247.07549	1.7
249.08992	2.6
249.11221	11.0
250.09763	2.3
251.10680	1.6
257.11758	1.2
261.09009	1.6
263.07193	1.2
265.08765	1.5
265.12039	1.0
267.10010	1.0
277.08566	1.9
278.09314	2.6
279.10165	1.1
281.11642	1.6
285.11453	1.2
293.07693	0.9
293.11731	1.9
299.12610	0.9
306.08972	1.0
309.11377	1.5
311.12723	2.8
321.11108	3.0
325.14154	1.4
339.12286	3.1
341.13757	2.3
343.15491	4.3
353.13632	4.3
359.15103	1.6
361.12143	1.9
361.16379	23.8
371.14828	12.9
385.16434	7.6
389.15802	15.3
389.20053	1.8
604.09729	1.1
667.26953	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.329
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
53.03928	0.4
55.05500	1.1
57.03434	2.0
59.05002	0.4
60.43119	0.3
61.02922	4.2
67.05495	3.7
69.03419	2.2
69.07058	1.1
69.42226	2.5
71.01346	0.7
71.04994	0.5
73.02921	3.1
73.90451	0.3
79.05482	3.8
81.03419	4.0
81.07041	2.8
83.04980	0.6
83.08601	0.9
85.02901	5.2
85.06541	0.5
86.09700	0.5
86.67365	0.3
91.03943	2.1
91.05466	2.3
91.16258	0.3
93.07040	3.7
95.04935	2.0
95.08595	1.7
97.02880	3.4
97.06519	0.8
97.10176	0.7
99.04423	0.5
99.08066	0.4
101.02387	1.4
105.07012	2.4
107.04960	0.7
107.08606	3.0
109.02869	0.9
109.06532	0.5
109.10159	1.0
111.08088	0.6
111.49075	0.3
117.03391	0.6
117.07040	0.7
119.04924	0.3
119.08579	2.4
121.10142	1.5
123.08076	0.4
123.11710	0.6
125.09554	0.4
127.03907	1.4
129.07016	0.5
131.08607	1.2
133.06526	0.4
133.10146	1.1
135.11676	3.1
137.05984	1.5
145.02869	1.2
145.05006	0.4
145.10104	0.7
147.04411	1.3
147.11697	1.5
149.09621	0.5
151.07483	0.5
157.10136	1.3
163.11188	0.7
165.09187	0.7
165.12752	0.4
175.11220	0.5
177.05457	2.3
185.04341	0.5
187.11214	0.3
193.12305	1.4
211.13208	0.7
221.11528	1.2
243.08440	2.3
251.12564	0.8
265.20584	0.4
265.46323	0.3
307.15195	0.5
439.19421	6.2
443.58356	0.4
469.20374	8.0
505.27118	0.4
539.49097	0.3
667.32922	100.0
668.33191	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	667.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.3
55.01862	6.2
55.05504	19.2
57.03428	7.0
57.07071	55.3
61.94363	2.4
64.01471	2.1
67.05494	35.1
69.03424	21.0
69.07069	16.4
71.04974	6.4
71.08626	33.9
71.53086	3.4
79.05491	23.2
81.03409	90.2
81.07045	48.1
83.04974	17.9
83.08608	30.4
85.02888	14.6
85.10177	25.6
91.05471	30.0
93.07042	18.9
95.04948	19.8
95.08595	41.9
97.02870	28.7
97.06540	3.3
97.10143	11.7
99.04453	5.7
103.03870	3.4
105.07014	19.1
107.04960	5.3
107.08588	10.2
109.02875	21.1
109.06509	3.9
109.10124	13.8
111.04435	13.8
111.08047	6.2
114.00164	2.2
117.07015	4.1
119.08575	17.9
121.10145	6.1
123.04444	2.2
123.11688	8.8
127.03881	16.9
129.05539	2.6
129.07007	9.8
131.08571	9.1
133.06458	3.5
133.10126	9.9
135.11673	4.6
137.05910	2.5
137.13239	3.1
143.08548	2.7
145.10146	5.7
147.08012	4.3
147.11674	16.0
149.09581	5.6
151.07578	4.7
157.10104	11.5
163.11261	2.8
165.12796	5.5
171.08125	2.8
173.04572	2.6
175.11227	10.4
181.12201	3.0
191.10710	5.5
193.12219	38.4
211.13258	63.7
227.12674	6.4
232.90645	2.4
239.23753	10.7
255.13831	2.7
267.15872	11.6
268.67065	2.8
285.17023	5.6
313.27289	32.3
337.16428	5.2
355.17627	10.7
383.27911	3.4
411.19940	12.0
449.15063	2.4
455.40723	2.3
505.39093	8.2
523.39661	20.4
649.42706	3.4
667.44092	100.0
668.44617	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	667.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
55.01865	4.8
55.05509	19.3
57.03442	9.7
57.07073	54.3
59.04997	1.6
60.21008	0.9
65.03931	2.1
67.05501	37.6
69.03423	23.8
69.07066	13.3
70.19573	4.1
71.04982	9.3
71.08629	36.7
75.44392	0.9
76.95499	0.9
79.05489	20.4
81.03413	100.0
81.07050	47.6
81.07438	0.8
83.01350	1.2
83.04977	13.9
83.08614	26.6
85.02897	14.8
85.06542	2.8
85.10178	18.0
91.05477	26.3
93.07041	16.2
95.04960	18.3
95.08599	36.5
97.02885	22.6
97.06548	5.7
97.10152	9.7
97.36537	1.0
98.20796	1.2
99.04472	6.7
99.11799	1.1
105.07020	21.4
107.04955	7.5
107.08581	8.2
109.02871	21.3
109.06520	4.3
109.10149	15.3
111.04430	11.6
111.08061	5.9
111.11724	1.2
113.05937	1.1
115.05452	2.2
117.07010	5.4
119.08585	17.4
121.06508	2.4
121.10130	10.1
123.04416	2.7
123.08037	2.6
123.11702	6.0
125.09627	1.4
127.03907	15.1
128.06213	1.4
129.05424	1.2
129.06992	11.8
131.08543	9.1
133.06491	2.8
133.10117	8.0
135.08029	2.6
135.11687	2.2
137.09639	1.7
137.13228	2.6
142.07770	2.1
143.08553	2.9
145.06476	1.7
145.10083	2.6
147.08025	3.3
147.11676	18.6
149.05971	1.3
149.09581	5.0
153.12776	1.4
154.60011	1.0
157.06534	1.1
157.10127	10.5
159.11780	1.2
163.07538	1.3
163.11212	5.0
165.12729	9.2
167.08429	1.2
171.11670	2.0
173.04471	3.0
173.09613	2.1
175.11171	9.5
181.12250	3.4
183.13681	1.1
187.11290	1.4
189.12756	1.2
191.10693	3.6
193.12230	35.0
195.84270	1.0
207.13716	1.5
209.11729	1.6
211.13271	52.1
217.12311	1.8
227.12601	5.8
229.14360	2.3
235.13300	1.2
239.23634	11.0
249.14830	2.2
255.13927	3.0
267.15878	15.5
273.14883	2.9
281.17801	1.0
283.15622	1.6
285.17145	2.9
291.16190	2.0
301.14349	3.2
313.27338	38.9
319.15506	2.5
337.16440	6.8
355.17508	11.5
375.17984	1.9
383.27884	2.3
384.72852	1.1
393.19223	3.4
411.20139	13.3
421.29388	1.8
505.38873	6.4
523.39972	15.5
548.32874	1.1
649.42773	2.6
667.44092	94.2
668.44446	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	671.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
53.91990	0.7
55.05499	1.9
55.94005	0.7
67.05488	3.4
69.07064	11.6
70.83991	1.5
70.84326	1.7
79.05468	4.6
81.06589	1.1
81.07047	19.5
83.08645	0.8
91.05475	12.1
93.07027	2.4
95.04949	2.2
95.08598	5.8
103.05450	1.6
105.06997	3.8
107.04955	6.7
107.08569	1.6
108.05719	1.4
109.06483	1.9
109.10146	3.4
115.05439	2.1
116.06219	2.0
116.40762	0.9
117.07010	2.4
119.04910	1.6
119.08566	2.6
119.26665	0.9
121.06494	8.8
121.10122	2.1
123.08054	0.9
123.11687	2.3
124.05255	1.8
128.06192	2.3
129.06966	2.2
131.04932	2.2
131.08530	1.7
132.05663	2.4
133.06465	2.4
134.07251	1.4
135.04381	2.4
135.08029	3.6
136.05193	10.7
137.05963	3.0
137.13239	1.4
138.06740	8.9
139.07527	1.7
144.05675	3.8
145.06479	3.3
145.10130	1.0
146.07253	4.3
147.08023	9.2
148.08833	3.0
149.05972	8.3
149.09616	2.2
150.06709	2.7
151.07532	70.8
152.07918	1.4
155.07103	1.1
158.07314	2.3
159.08046	19.9
160.08801	1.9
161.05954	2.3
161.09563	2.0
162.06755	2.8
163.07529	5.0
164.08336	9.1
165.05475	5.4
165.09106	24.1
172.08786	1.1
173.06000	1.3
173.09642	1.9
174.06773	6.4
175.07562	9.9
177.05484	5.7
177.09073	10.6
178.09877	10.3
179.10658	100.0
185.09549	1.3
187.07524	26.0
188.08337	4.4
189.09079	24.3
190.09827	1.3
191.10628	4.0
193.08655	4.6
195.10204	1.8
201.09071	3.7
202.09865	4.2
203.06999	2.3
203.10641	5.3
205.08511	1.9
205.12210	2.0
208.08827	1.0
209.09428	1.1
211.11230	1.4
213.08940	1.3
215.07016	10.6
215.10558	4.4
216.11406	1.9
217.08595	1.9
217.12134	4.3
219.08093	1.1
219.13805	3.1
220.09135	0.9
221.07925	1.2
223.11137	2.0
224.08224	1.4
227.10660	2.3
229.12199	6.1
231.13759	4.4
233.08018	17.6
233.10022	1.1
235.07417	1.4
236.08383	1.0
239.10623	4.7
241.12259	1.7
243.13788	3.8
245.15355	17.1
247.16866	3.8
248.08530	1.2
249.09079	2.3
250.09912	1.9
251.10620	5.1
252.11447	1.2
253.08449	1.6
254.09357	1.0
255.13760	1.3
262.09912	2.7
263.07184	1.0
263.10590	2.1
264.07813	1.3
265.08658	1.9
265.12183	2.8
266.12979	2.4
267.10144	5.6
267.12775	0.9
268.10794	2.7
271.16870	3.1
276.11142	1.1
277.08578	1.1
278.09396	2.3
279.10126	16.8
280.07227	0.9
280.10590	1.1
281.11813	2.4
282.12531	5.7
283.09741	1.0
283.13141	2.1
285.85989	1.1
287.19952	1.1
292.10910	2.0
293.11609	5.4
294.12454	19.5
295.09604	6.9
295.12885	1.9
297.11145	2.5
297.14783	4.0
298.12146	1.4
299.19980	1.9
307.13284	1.9
310.11905	8.0
311.12570	1.6
311.20001	7.9
312.13522	1.8
313.14322	2.0
315.15903	11.9
319.13605	1.0
323.12769	1.4
325.14319	96.8
326.14697	2.9
327.15887	1.5
327.19449	0.9
339.15878	2.0
341.13794	6.4
349.14352	1.4
351.15875	1.2
353.13806	10.7
353.17630	1.6
363.15967	1.1
365.17404	6.8
369.13278	1.0
371.14810	3.2
379.18887	1.2
381.16916	2.6
449.26843	52.2
450.27328	2.2
458.73599	1.0
487.28256	1.5
493.26587	1.2
501.22385	1.1
625.35162	5.0
671.30475	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	671.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.05511	5.3
58.04364	0.8
64.03146	1.0
65.03918	1.5
67.05493	1.8
69.07059	10.5
70.56495	1.8
70.56877	2.2
78.04665	1.1
79.05470	4.4
81.07064	1.9
83.08636	4.6
84.52512	0.9
91.05475	14.2
93.07037	4.0
95.04961	5.1
102.35297	1.0
103.05448	3.0
104.06188	1.2
105.04511	1.1
105.07026	10.5
107.04963	4.5
107.08598	1.4
108.05711	2.0
109.10109	2.9
111.11697	1.2
115.05412	2.2
117.06992	3.1
118.04172	1.0
118.35253	1.0
119.04924	1.8
119.08563	3.3
120.05735	1.5
121.06491	52.9
123.04405	2.1
123.08066	1.8
124.05216	1.1
124.95732	0.9
129.06958	1.6
131.04930	2.8
131.58656	0.8
132.05670	2.6
133.06451	6.2
134.07259	2.6
135.04410	2.9
135.08037	11.4
135.11607	1.1
136.05171	9.0
137.05949	3.9
138.06752	8.4
139.07518	1.5
143.08577	1.4
145.06453	1.4
146.07246	6.7
147.08037	7.1
148.08792	4.1
149.05960	92.8
150.06747	11.7
151.07524	81.7
157.06430	1.0
158.07303	1.5
159.08034	4.1
160.08798	2.5
161.05933	2.7
161.09633	1.3
162.06770	3.0
163.07515	15.9
164.08315	10.2
165.09102	68.9
167.07016	7.3
171.08073	1.4
172.08810	4.0
173.05881	1.3
173.09604	2.2
174.06747	2.5
174.10364	2.4
175.07515	3.9
175.11131	1.2
176.08342	2.4
177.05450	56.0
177.09044	13.5
178.09810	1.6
179.10649	100.0
180.07837	1.1
180.11116	1.2
185.09583	1.5
186.10373	3.3
187.07501	4.3
187.11168	1.5
188.08276	4.7
189.09094	8.3
190.09908	2.8
191.07002	3.8
191.10655	12.1
192.07654	1.1
193.08542	4.0
194.09341	1.4
195.06509	2.3
195.10132	12.4
197.09618	2.2
198.10632	1.0
199.07350	1.1
199.11194	1.2
201.09102	5.5
202.09877	11.1
203.10661	22.4
205.12207	10.5
207.10118	4.2
211.11116	1.4
212.11787	1.5
213.09183	1.7
213.12706	1.1
214.09868	1.7
215.07034	1.6
215.10623	10.9
216.11392	6.7
217.08704	1.6
217.12236	17.8
218.12988	14.3
219.13815	5.8
226.13594	1.6
227.10597	2.1
228.11485	2.0
229.08658	1.9
229.12225	12.9
230.12929	3.4
231.13777	16.8
233.15363	1.6
239.10585	1.3
241.12271	1.3
242.13091	1.1
243.13826	4.4
245.15337	3.7
247.16963	3.0
255.13899	1.5
257.15244	6.6
259.16949	2.1
267.10126	1.8
269.15366	1.4
271.16794	2.4
279.09970	1.0
285.18399	2.4
289.12149	1.1
291.09909	1.2
293.11578	1.3
294.12350	1.4
297.14795	2.3
299.19974	4.0
300.20813	8.3
305.11542	1.1
311.20023	3.0
325.14267	3.1
327.12204	1.3
327.15942	1.9
339.12189	1.2
339.15878	1.7
339.19623	1.2
353.13708	3.4
365.13571	1.6
365.17621	2.3
367.15207	2.6
367.19312	1.7
371.14969	1.1
378.14737	1.2
379.15112	1.5
393.16898	11.2
395.18481	25.7
407.18506	2.1
421.20135	1.6
449.26724	4.8
477.26251	13.4
653.35315	1.4
671.34515	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	672.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05497	2.7
57.03436	2.7
57.07074	32.9
61.02920	9.7
67.05502	7.8
69.03419	1.1
69.07062	6.4
71.08630	26.3
71.52525	0.9
72.46166	0.6
73.02902	5.0
75.04470	1.7
79.05505	0.6
81.03401	0.9
81.07044	12.9
81.96115	0.5
83.08616	9.8
85.02898	12.8
85.10179	15.6
87.04455	0.7
89.06030	1.3
91.03948	10.8
91.05475	1.2
95.07993	0.9
95.08601	18.0
97.02898	5.3
97.10157	4.7
99.04405	1.0
99.11720	0.9
109.10158	9.1
111.11700	1.5
115.03921	1.0
123.11695	4.7
125.13269	1.3
127.03032	0.8
127.03900	4.7
137.13249	2.1
139.14813	1.0
140.88354	0.5
145.04967	5.7
149.60251	0.5
151.14748	0.6
157.15855	0.5
163.05986	9.5
182.35243	0.6
221.22618	1.4
239.23682	21.8
254.79297	0.6
257.24744	3.8
313.27347	100.0
314.27585	1.4
331.28427	23.9
331.32407	1.1
384.09247	0.6
475.32825	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	672.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01842	0.9
55.05506	5.9
57.03433	4.4
57.07069	40.9
61.02918	17.3
67.05497	14.4
69.03408	2.6
69.07061	8.8
69.86147	3.5
71.08622	34.9
73.02914	5.9
75.04459	2.0
79.05482	2.6
81.03404	1.8
81.06583	1.2
81.07045	18.2
81.07523	1.0
83.08607	14.1
85.02895	19.9
85.06541	0.8
85.10174	23.4
89.06037	1.2
91.03944	16.9
91.05453	1.8
93.07024	2.1
94.07388	0.7
95.04973	1.4
95.08596	25.8
97.02876	9.8
97.10155	7.0
98.21418	0.8
99.04444	0.9
99.11710	1.8
103.07545	1.1
105.07021	1.0
106.07352	0.6
107.08549	0.8
109.02821	0.7
109.10143	13.1
111.11706	1.9
113.13273	1.0
115.03934	1.0
117.09122	0.6
121.06516	0.6
123.11689	5.9
125.13309	0.9
127.03893	5.9
133.10115	0.6
135.11662	0.8
137.13240	2.2
145.04942	8.4
147.11638	0.6
147.76688	0.6
151.07515	1.0
151.14807	1.2
163.06004	11.9
165.16342	0.6
167.08421	0.6
193.08614	0.8
221.22610	1.0
239.23653	22.7
240.24046	0.9
257.24670	3.9
313.27322	100.0
314.27719	2.6
331.28366	32.5
352.60010	0.6
672.41614	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.1
55.28356	2.9
56.52679	2.4
57.07069	37.2
67.05500	7.4
69.03397	2.9
69.07056	6.0
71.08634	34.1
71.53419	4.3
73.06536	10.2
77.04417	2.5
79.05483	6.3
81.07052	6.9
83.08621	5.8
85.10189	19.2
87.04456	8.3
89.06019	100.0
89.68349	2.4
93.07039	3.5
95.08607	3.6
97.10167	4.9
97.62763	2.8
99.11722	3.5
107.07042	5.8
110.37624	3.1
117.09109	9.1
127.14735	2.7
130.08643	3.8
131.07013	3.8
133.08588	56.4
151.07581	3.1
159.08069	3.0
177.11218	30.1
197.22624	4.0
285.27942	7.2
329.30511	4.2
340.16486	4.3
479.27768	7.6
540.24786	3.4
673.25299	3.7
673.42285	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	673.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.1
55.01867	5.0
55.05504	34.1
57.03415	8.9
64.93766	4.6
65.58704	3.5
65.75854	3.7
67.05493	47.1
69.03417	23.6
69.07061	44.4
71.04967	12.1
79.05479	34.8
81.03407	46.5
81.06586	7.1
81.07043	100.0
81.07516	5.4
83.04964	13.3
83.08622	18.8
85.02892	18.7
85.06516	10.2
87.88764	3.5
91.05475	37.4
93.03378	4.6
93.06467	7.3
93.07027	76.3
95.04961	24.1
95.08598	77.1
97.02847	11.6
97.05972	4.2
97.06496	21.7
97.10148	25.6
98.21475	6.7
99.04436	6.0
99.08071	8.5
102.97850	4.3
103.05427	7.0
105.07016	60.1
107.04942	13.8
107.08582	62.6
109.02856	25.3
109.06491	18.0
109.10136	80.1
111.04396	12.8
111.08093	11.2
111.11684	6.3
115.03901	5.8
115.05425	5.8
117.06994	11.1
119.04894	5.8
119.08571	57.4
121.06487	15.9
121.10133	44.7
123.04424	31.2
123.08033	9.9
123.11702	26.4
125.05972	4.8
125.09611	11.5
127.03896	20.0
129.07004	8.1
131.04832	4.3
131.08559	19.3
133.06462	4.4
133.10136	33.4
135.04390	7.3
135.08043	7.8
135.11670	30.7
136.07512	4.3
137.05957	31.5
137.09581	11.5
137.13235	7.9
139.03882	16.9
139.11147	11.6
142.07776	4.8
143.08557	11.3
143.10605	4.8
145.02782	6.0
145.06380	4.5
145.10112	29.0
147.04379	11.1
147.11658	40.5
149.05951	4.1
149.09612	12.1
149.13245	20.5
151.03876	34.6
151.07478	9.4
151.11162	15.5
153.05438	8.1
155.08641	5.9
155.10655	3.9
157.10086	13.1
159.07947	3.8
159.11688	26.9
161.05989	7.6
161.09587	9.1
161.13228	15.7
163.03839	10.7
163.07512	8.0
163.11151	17.3
163.14813	5.6
165.05453	10.8
165.06934	4.7
165.12712	9.6
167.07008	14.5
168.07423	4.7
169.10097	5.1
171.08029	4.5
171.11696	7.6
173.13223	15.2
175.03880	5.5
175.11143	9.1
175.14775	8.6
177.05423	14.7
177.12770	6.6
181.04915	11.8
181.06453	4.9
181.12172	7.4
185.13252	7.5
187.14783	16.8
189.05457	4.9
189.09143	8.1
191.14252	8.7
193.12195	4.7
197.13269	4.6
199.14854	4.9
201.09216	5.4
203.14368	4.4
207.06543	10.8
209.13406	5.1
209.15340	13.6
211.13136	8.2
217.04971	8.8
219.10106	9.7
227.14308	4.7
239.14299	4.4
243.17352	4.2
245.04388	30.9
267.21097	6.9
275.23651	6.8
285.22107	14.7
287.05493	8.3
291.22977	8.8
301.12704	4.2
303.08691	9.7
303.23093	44.1
304.23511	4.9
321.24075	24.3
425.08496	13.8
429.26141	6.0
435.27481	4.7
447.27393	17.4
465.28317	20.7
475.34189	9.4
483.29547	8.5
673.34302	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	673.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.1
55.01859	8.8
55.05502	26.3
57.03437	6.1
57.07037	4.6
58.58155	4.4
59.05040	3.5
65.03931	9.8
67.05502	39.7
69.03429	21.2
69.07056	40.6
69.93836	21.8
70.80871	4.4
71.04963	9.5
77.24329	3.6
79.05480	41.7
81.03406	39.7
81.07050	72.3
83.04974	11.3
83.08608	11.8
85.02898	22.1
85.06526	7.3
91.05477	29.9
93.07035	64.8
95.04961	73.3
95.08038	6.8
95.08594	59.4
97.02874	13.1
97.06510	28.6
97.10178	21.7
98.21461	5.9
99.04430	6.0
103.05492	5.0
105.07016	62.3
106.06535	6.8
107.04937	17.5
107.08585	42.8
108.08126	8.0
109.02881	27.0
109.06502	25.1
109.10152	43.4
110.52563	4.4
111.04431	10.6
111.08060	6.3
115.05496	3.7
117.07008	10.8
119.04939	11.2
119.08554	45.1
121.02860	6.0
121.06503	16.2
121.10122	39.8
123.04408	64.2
123.08035	14.2
123.11702	19.8
124.07616	7.0
125.05981	8.3
125.09631	10.2
127.03881	23.1
128.06161	5.4
129.06941	6.6
131.04878	4.6
131.08549	18.9
133.06505	5.9
133.10139	21.1
135.04398	9.8
135.08025	16.1
135.11676	18.7
136.07593	5.8
137.05963	66.1
137.09607	9.7
139.03896	31.0
139.11110	9.9
143.08534	10.4
145.02882	8.2
145.06442	7.0
145.10133	30.5
147.04391	19.5
147.07979	5.2
147.11690	30.5
149.05975	12.4
149.09602	29.8
149.13239	13.2
151.03896	66.5
151.07585	7.9
151.11162	7.5
152.07112	19.4
152.08142	5.0
153.01825	8.1
153.05434	39.7
153.07349	4.9
155.08549	5.9
157.10124	13.0
159.08052	8.8
159.11717	23.3
161.05966	19.0
161.09558	10.1
161.13263	16.4
163.03894	23.2
163.07530	14.9
163.11148	9.9
163.14735	4.7
164.06979	6.6
165.05449	9.5
165.09129	4.8
165.12791	5.2
167.07011	16.6
167.10670	7.3
170.08151	11.4
171.04355	4.5
171.08272	4.9
171.11688	9.5
173.13240	7.4
175.03938	7.9
175.07526	12.0
175.11172	6.9
175.14778	6.1
177.05495	26.6
177.12680	10.3
181.04913	35.2
185.09587	7.7
187.07484	7.1
187.14809	9.9
189.03972	5.0
189.05406	27.0
189.09102	11.0
189.12668	7.4
189.16483	5.3
191.10658	4.2
191.14325	7.1
193.08562	10.2
195.10143	16.7
197.13304	7.1
199.03928	9.6
199.14795	4.5
201.05452	6.2
201.09096	10.0
203.07030	7.8
203.14348	4.5
205.12215	5.5
207.06415	13.4
209.15189	4.8
211.09608	9.1
213.05437	4.6
215.03333	11.1
215.17838	7.8
217.04921	28.6
219.01532	4.1
219.10204	20.1
230.05363	4.4
245.01920	5.3
245.04413	100.0
246.04831	8.6
267.20944	6.7
275.23730	5.1
285.04031	5.1
285.21878	8.5
287.05478	25.8
301.21622	9.6
302.04166	9.4
303.08762	5.0
303.23172	33.2
317.06522	70.6
321.24261	11.4
345.24158	6.7
351.09711	5.2
407.07465	4.9
411.25238	12.1
425.08533	28.7
429.26337	14.3
447.27383	24.6
465.28461	20.9
572.58331	5.2
655.38403	8.9
673.17120	6.1
673.38214	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	673.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	6.8
53.03933	12.4
55.01851	9.4
55.05501	34.2
56.38148	7.0
57.03430	10.6
57.07079	6.2
65.03918	8.2
67.05501	79.8
69.03426	43.0
69.07056	26.3
69.90908	6.3
71.04988	8.1
71.52819	11.4
79.05496	54.2
81.03412	35.3
81.07043	100.0
81.68196	6.4
83.04975	15.8
83.08594	15.9
85.02902	7.3
85.06552	9.1
89.06010	21.5
91.05471	77.3
93.07037	89.7
95.04969	18.7
95.08603	48.0
97.06525	13.8
98.98473	6.7
105.07012	52.8
107.04938	9.8
107.08592	48.5
109.06469	10.6
109.10166	16.1
111.04401	6.7
117.07002	19.5
118.14837	7.0
119.08599	35.7
121.06474	12.0
121.10155	17.8
126.87323	6.2
129.07030	14.0
130.04280	6.2
131.08545	33.8
133.08586	16.0
133.10136	25.0
135.08002	9.9
135.11687	13.9
143.08582	14.4
145.10155	17.5
147.11685	22.4
149.09654	7.6
149.13246	18.9
151.07542	8.4
159.11699	15.6
165.09106	8.6
173.13216	9.4
174.23083	6.6
177.09100	11.5
195.13803	12.4
197.13176	8.8
269.17468	27.6
277.21481	8.5
369.24356	13.8
461.29016	8.0
509.42102	6.9
564.12402	7.8
637.41217	9.7
673.43237	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
54.55397	1.3
55.01863	4.2
55.05510	19.8
57.03438	12.7
57.07069	1.5
65.03927	3.0
67.05499	25.2
69.03420	15.0
69.07055	7.8
69.25130	8.2
69.25550	6.2
71.04972	8.3
73.02876	1.5
73.13079	1.3
79.05483	25.5
81.03412	100.0
81.07051	31.6
83.04967	19.8
83.08614	24.0
83.09070	2.7
85.02897	28.6
85.06523	2.3
91.05474	36.0
93.06478	2.0
93.07030	21.6
95.04960	29.5
95.08597	14.0
95.71199	1.2
97.02894	15.2
97.06506	6.2
97.10146	5.1
99.04424	3.3
99.08073	2.6
105.07024	26.6
107.04957	7.7
107.08585	13.1
109.02867	8.9
109.06520	6.2
109.10133	6.0
111.04422	6.5
111.08085	10.8
113.05976	3.0
115.05438	1.9
117.07008	4.5
119.04945	1.3
119.08571	21.3
121.06505	2.7
121.10133	13.1
123.04422	6.1
123.08049	3.8
123.11708	3.5
125.09624	2.9
127.03917	7.4
129.05469	3.0
129.06996	11.4
129.41823	1.3
130.06546	1.7
131.04869	1.4
131.08562	15.5
133.06544	6.5
133.10123	11.6
135.04382	1.4
135.11678	2.8
137.05960	2.8
137.09628	2.6
139.03899	1.6
142.07799	3.2
143.16417	1.4
144.83716	1.2
145.06511	2.6
145.10132	6.4
147.04413	2.6
147.08080	3.4
147.11678	18.8
149.05904	1.4
149.09589	7.3
151.03842	3.8
151.11115	2.0
152.88872	1.2
157.10133	16.9
163.03860	1.9
163.11194	2.6
165.12721	5.0
167.07048	3.2
175.07352	1.8
175.11176	15.8
177.05501	2.1
181.04822	2.2
181.12157	1.5
191.10732	1.7
193.10432	2.4
193.12221	50.2
211.13272	61.8
212.13583	1.8
213.54410	1.2
227.12627	2.6
229.14397	1.9
245.04538	3.8
245.13821	1.4
249.14743	1.8
267.15909	34.4
269.17584	3.0
285.16934	49.7
319.15427	2.7
337.16037	2.0
355.17612	4.1
367.22467	1.7
385.23804	3.4
393.18735	1.5
401.92764	1.4
411.20230	3.3
425.08179	1.6
429.21231	14.7
459.27289	22.3
477.28427	28.7
495.29520	40.1
496.29819	3.4
585.29962	1.7
603.32172	2.0
618.50574	1.5
621.32343	6.5
639.33795	31.6
640.34113	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25085	0.7
51.83066	0.7
53.84117	0.7
55.01883	0.9
55.05504	2.0
56.39348	0.8
57.03437	1.8
57.07064	3.1
61.02926	1.8
67.05498	4.6
69.03419	1.5
69.07070	1.3
69.67081	1.4
69.67493	4.1
71.08614	1.5
74.40398	0.7
79.05496	3.0
81.03407	3.1
81.07047	5.2
83.04979	1.4
83.08614	1.2
85.02896	2.0
85.06514	0.7
87.04481	1.0
91.03963	0.8
91.05492	3.5
93.07032	2.8
95.04955	1.5
95.08610	2.9
97.02887	1.7
98.20818	1.3
105.07034	2.3
107.08571	2.5
109.10154	1.7
119.08567	1.6
120.55307	0.8
121.10145	1.2
131.08565	1.9
133.10129	1.4
143.08614	1.6
145.10124	1.4
149.01189	0.8
151.07535	0.9
155.08549	1.0
156.03638	1.1
157.10112	0.9
159.11639	1.3
161.09656	0.8
171.11807	1.1
173.04527	1.4
173.13310	1.0
183.11667	1.3
197.13231	0.8
223.99181	0.7
239.23691	0.7
240.24049	1.6
313.27515	2.8
314.27737	3.0
315.28027	2.1
340.53839	0.7
344.94336	0.8
347.17126	1.4
359.48734	0.8
370.10773	2.0
372.12616	1.0
384.12271	4.1
385.13022	15.2
386.13516	6.9
397.13022	2.5
398.13724	5.7
399.14529	21.7
400.15298	56.6
401.15744	6.9
411.14673	3.0
412.15332	7.6
413.16086	19.7
414.16806	21.2
415.17487	4.2
418.17398	2.2
424.15396	1.1
425.16379	2.0
426.16885	2.5
427.18259	9.7
428.18649	14.8
429.19235	44.1
430.19800	4.7
440.14392	1.0
441.15021	4.2
442.16205	6.2
443.13028	5.6
444.14233	11.8
446.16974	1.1
447.20435	1.2
454.16495	1.0
455.17090	17.7
456.17755	7.1
457.14957	4.4
457.19443	2.3
458.14993	4.2
459.16827	5.3
469.19473	1.7
472.17609	5.6
473.18225	18.6
474.18643	1.9
481.15149	2.1
482.15222	1.7
483.16650	12.5
484.21307	1.4
485.18002	1.6
487.16278	3.0
495.16446	1.4
499.16257	3.3
501.17374	9.8
502.18304	3.9
511.20313	3.9
513.35828	6.4
516.23663	10.5
517.24500	1.3
523.16241	2.1
527.15204	6.3
528.15692	1.3
539.19299	10.9
540.19354	7.4
543.22327	14.2
544.23120	32.5
545.23285	2.3
546.21167	1.0
555.18732	3.4
560.22668	14.3
561.23285	1.0
569.20612	1.2
570.20691	1.2
571.21857	52.4
572.22223	13.6
573.20233	2.7
575.24969	4.1
587.21283	6.3
588.22144	100.0
589.22595	7.6
601.22772	3.6
603.23950	5.3
615.20502	6.4
616.21051	5.2
619.24091	4.5
629.22467	16.4
630.22516	2.0
631.23767	6.8
647.23163	6.8
657.21869	21.0
657.39130	1.1
658.21704	2.0
675.23083	13.9
675.40497	2.6
676.23358	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	675.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46165	0.4
56.01192	0.3
67.05492	0.6
70.47544	1.3
79.05489	0.5
81.07033	0.6
83.69403	0.4
91.05419	0.4
93.06995	0.4
114.51524	0.4
196.83594	0.4
283.16223	0.5
285.16959	0.6
414.17413	0.4
436.34073	0.4
439.13885	0.5
440.14862	0.5
445.18478	0.5
453.15967	0.7
454.16937	0.7
455.13602	0.7
467.12827	0.6
467.17990	0.8
468.13818	2.6
469.14865	9.3
470.15591	2.2
471.16522	1.1
472.17203	0.7
479.16983	0.5
479.30386	1.1
480.14508	0.5
481.14487	2.6
482.15802	12.0
483.16580	11.1
484.17517	2.4
485.18054	1.2
495.17084	2.5
496.17471	6.2
497.18198	41.0
498.18738	4.5
499.20026	0.6
500.16971	1.0
501.17618	0.7
510.19266	2.2
511.19818	6.1
512.20239	1.7
515.19110	2.1
523.16833	0.4
528.16211	2.4
529.16638	0.5
538.20178	1.2
541.17389	0.9
542.17401	2.7
555.18811	2.9
556.19623	3.6
557.20111	3.1
569.19946	0.9
571.21667	0.7
583.21729	0.5
608.37219	0.5
616.22107	1.5
617.22327	0.9
629.22168	1.1
643.24011	6.3
644.24744	7.6
645.24341	1.3
657.25629	6.5
660.23755	0.5
675.26550	100.0
676.26648	8.8
676.37988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.2
53.05014	4.3
53.07795	4.9
53.72118	4.5
55.01867	12.0
55.05494	22.9
55.52506	5.2
57.03417	5.6
57.07059	6.2
57.11210	6.1
67.05498	35.9
69.03408	17.1
69.07058	51.3
71.53185	6.9
77.03918	7.3
79.05489	34.9
81.03411	39.7
81.06584	6.7
81.07050	100.0
83.04972	15.4
83.08604	13.6
84.08136	5.0
85.02893	20.2
85.06540	14.2
90.66939	5.4
91.05459	33.0
93.07033	57.9
95.04945	21.0
95.08601	73.9
97.02866	10.4
97.06513	59.1
97.10143	19.3
98.06853	5.4
99.04476	5.7
99.08081	8.0
100.50659	5.2
103.05443	6.0
105.07011	39.0
107.04933	12.1
107.08571	65.9
109.02841	21.5
109.06487	13.7
109.10134	47.9
111.04443	11.8
111.08055	14.0
111.11707	8.8
117.07005	10.1
119.04918	16.3
119.08578	33.6
121.06485	12.9
121.10110	41.8
123.04417	69.4
123.08025	8.6
123.11705	36.6
125.06026	6.0
125.09620	11.5
127.03911	72.6
129.07007	9.3
131.04907	10.0
131.08557	13.5
133.06482	7.9
133.10110	18.2
135.04373	23.1
135.11676	26.5
136.07523	5.8
137.05975	42.3
137.09532	11.7
139.03894	60.4
139.11143	12.2
142.07745	9.3
143.08563	11.2
145.02788	6.2
145.06483	7.2
145.10104	15.7
147.04428	32.7
147.08006	8.1
147.11659	13.0
149.02333	5.9
149.05916	7.5
149.09593	14.7
149.13203	32.1
151.03862	39.0
151.07497	10.6
151.11093	7.4
153.05498	5.9
153.09126	5.6
157.10100	6.4
157.12253	6.8
159.07959	6.9
159.11699	15.9
161.05972	16.0
161.13261	8.4
163.03891	41.8
163.11223	5.6
163.14720	7.5
164.07076	8.1
165.05379	7.0
165.09064	12.6
165.12744	8.5
167.03340	7.2
167.07007	40.1
171.08058	6.7
171.11598	7.3
173.13229	9.8
175.03891	12.2
175.14763	10.1
177.05397	21.7
177.16373	6.3
181.04933	12.3
187.07567	7.4
191.03366	11.2
191.07083	6.0
191.10677	7.9
191.14331	9.1
193.04991	8.9
201.09122	19.1
201.16490	5.8
203.03340	7.4
207.06503	20.1
209.15334	9.0
217.05022	10.4
219.10120	14.2
229.04994	7.7
231.06337	5.3
239.06885	6.0
241.08681	6.3
245.04466	8.3
257.04352	8.3
259.06210	8.3
259.09534	14.2
267.15826	6.7
271.05966	15.1
275.05423	21.2
275.23642	8.2
287.05426	22.3
287.87524	5.9
288.06232	8.2
289.06952	8.1
299.05469	7.4
303.08661	15.1
305.24710	21.2
323.25668	6.7
367.11789	10.0
368.49957	6.1
369.13065	14.3
392.38168	5.8
392.43341	5.9
409.09140	10.3
411.62207	6.7
413.27066	10.0
431.27847	14.7
449.28827	15.1
459.34631	10.8
467.29904	15.6
487.13867	5.7
675.23792	6.4
675.35571	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	675.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.2
53.05014	4.3
53.07795	4.9
53.72118	4.5
55.01867	12.0
55.05494	22.9
55.52506	5.2
57.03417	5.6
57.07059	6.2
57.11210	6.1
67.05498	35.9
69.03408	17.1
69.07058	51.3
71.53185	6.9
77.03918	7.3
79.05489	34.9
81.03411	39.7
81.06584	6.7
81.07050	100.0
83.04972	15.4
83.08604	13.6
84.08136	5.0
85.02893	20.2
85.06540	14.2
90.66939	5.4
91.05459	33.0
93.07033	57.9
95.04945	21.0
95.08601	73.9
97.02866	10.4
97.06513	59.1
97.10143	19.3
98.06853	5.4
99.04476	5.7
99.08081	8.0
100.50659	5.2
103.05443	6.0
105.07011	39.0
107.04933	12.1
107.08571	65.9
109.02841	21.5
109.06487	13.7
109.10134	47.9
111.04443	11.8
111.08055	14.0
111.11707	8.8
117.07005	10.1
119.04918	16.3
119.08578	33.6
121.06485	12.9
121.10110	41.8
123.04417	69.4
123.08025	8.6
123.11705	36.6
125.06026	6.0
125.09620	11.5
127.03911	72.6
129.07007	9.3
131.04907	10.0
131.08557	13.5
133.06482	7.9
133.10110	18.2
135.04373	23.1
135.11676	26.5
136.07523	5.8
137.05975	42.3
137.09532	11.7
139.03894	60.4
139.11143	12.2
142.07745	9.3
143.08563	11.2
145.02788	6.2
145.06483	7.2
145.10104	15.7
147.04428	32.7
147.08006	8.1
147.11659	13.0
149.02333	5.9
149.05916	7.5
149.09593	14.7
149.13203	32.1
151.03862	39.0
151.07497	10.6
151.11093	7.4
153.05498	5.9
153.09126	5.6
157.10100	6.4
157.12253	6.8
159.07959	6.9
159.11699	15.9
161.05972	16.0
161.13261	8.4
163.03891	41.8
163.11223	5.6
163.14720	7.5
164.07076	8.1
165.05379	7.0
165.09064	12.6
165.12744	8.5
167.03340	7.2
167.07007	40.1
171.08058	6.7
171.11598	7.3
173.13229	9.8
175.03891	12.2
175.14763	10.1
177.05397	21.7
177.16373	6.3
181.04933	12.3
187.07567	7.4
191.03366	11.2
191.07083	6.0
191.10677	7.9
191.14331	9.1
193.04991	8.9
201.09122	19.1
201.16490	5.8
203.03340	7.4
207.06503	20.1
209.15334	9.0
217.05022	10.4
219.10120	14.2
229.04994	7.7
231.06337	5.3
239.06885	6.0
241.08681	6.3
245.04466	8.3
257.04352	8.3
259.06210	8.3
259.09534	14.2
267.15826	6.7
271.05966	15.1
275.05423	21.2
275.23642	8.2
287.05426	22.3
287.87524	5.9
288.06232	8.2
289.06952	8.1
299.05469	7.4
303.08661	15.1
305.24710	21.2
323.25668	6.7
367.11789	10.0
368.49957	6.1
369.13065	14.3
392.38168	5.8
392.43341	5.9
409.09140	10.3
411.62207	6.7
413.27066	10.0
431.27847	14.7
449.28827	15.1
459.34631	10.8
467.29904	15.6
487.13867	5.7
675.23792	6.4
675.35571	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	676.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55467	0.7
51.57811	0.8
53.03932	2.9
55.01854	2.5
55.05507	10.5
57.03431	10.5
57.07073	1.1
61.02904	3.6
63.32234	0.8
65.03916	2.0
67.05497	39.8
69.03409	3.1
69.07063	13.4
69.45306	3.7
69.45743	3.3
71.04983	4.5
73.02892	1.8
79.05480	26.3
81.02928	1.2
81.03411	45.2
81.07047	47.1
82.77908	0.8
83.04971	14.0
83.08611	21.9
85.02897	17.9
85.06520	3.1
89.31905	0.8
91.03960	0.9
91.05473	28.7
93.07034	36.4
93.07632	1.8
95.04961	18.4
95.08605	13.0
97.02869	4.2
97.06516	7.4
97.10140	2.6
98.21577	1.6
99.08050	2.5
105.07023	16.2
107.04933	5.9
107.08579	18.8
109.06480	4.1
109.10123	4.0
111.04413	1.6
111.08068	9.3
113.05972	1.8
115.05438	1.0
117.06987	5.4
119.07787	1.3
119.08564	12.7
121.06485	2.0
121.10127	14.2
123.08047	2.6
123.11701	2.5
125.09606	1.2
127.03870	0.9
129.06993	6.2
131.08554	12.6
133.06465	1.8
133.10112	11.9
135.08012	1.8
135.09178	0.7
135.11653	3.7
137.09546	1.6
139.11142	1.7
140.43428	0.9
145.10106	1.0
147.08043	2.5
147.11661	12.4
149.09570	4.7
149.13223	16.4
157.10106	9.0
159.11649	7.1
165.12740	2.9
165.81329	0.9
175.11154	10.5
177.12721	4.4
186.24834	0.8
193.10442	1.3
193.12224	30.5
195.13777	7.2
211.13268	46.4
213.14781	1.1
248.20876	0.8
249.14839	1.3
267.13000	1.4
267.15872	23.9
269.17447	65.7
285.16934	37.8
435.27264	0.9
443.27869	1.3
461.28925	51.2
462.29062	2.3
479.29999	100.0
480.30310	4.0
496.16904	2.2
498.18265	1.1
556.19031	1.7
611.69092	0.9
676.16150	1.0
676.26819	14.4
677.26392	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	676.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.01875	2.3
55.05505	9.2
57.03437	8.3
61.02917	4.1
67.05502	28.5
69.03423	2.0
69.07074	7.8
70.65733	3.3
70.66093	1.8
71.04993	2.9
76.07700	1.4
79.05490	19.6
81.03410	27.8
81.03856	2.4
81.07051	38.9
81.07526	2.6
83.04963	9.1
83.08615	14.6
85.02907	12.8
85.06544	2.6
86.66134	1.1
88.99324	1.2
91.05479	17.9
93.07040	22.4
95.04955	11.8
95.08615	8.8
97.02890	2.5
97.06530	4.4
97.10176	1.5
101.62208	1.2
105.07018	10.8
107.04988	2.1
107.08589	13.6
109.06541	3.4
109.10107	1.9
111.04488	1.5
111.08064	6.4
113.05976	1.4
115.20650	1.3
117.07003	3.1
119.08591	10.4
121.06482	1.5
121.10180	9.5
123.11723	1.7
127.03854	1.1
129.07014	4.5
131.08562	7.3
133.10127	8.3
135.11664	3.0
142.07805	1.8
147.08034	1.6
147.11670	8.0
149.09602	3.7
149.13240	8.6
157.10094	7.5
159.11703	4.2
165.12782	2.1
175.11186	6.3
193.12234	20.8
193.14909	1.3
195.13789	6.0
211.13283	29.7
267.15912	16.1
269.17484	43.0
285.16928	25.7
331.08490	1.2
343.97809	1.3
416.14142	1.4
442.19687	2.3
444.17630	2.0
445.18109	1.9
461.28973	32.3
470.15076	1.9
471.16296	2.2
472.16971	2.5
479.30014	75.3
480.30701	2.9
481.15063	1.9
482.14774	2.2
483.16049	3.4
484.16644	2.1
486.18445	2.9
495.16949	1.6
496.16876	10.4
497.17810	7.8
498.18451	9.5
499.18326	2.6
504.18326	1.4
511.19690	1.8
516.19440	2.7
556.18842	10.5
557.19366	2.0
574.23761	3.0
618.23114	2.9
644.24207	4.8
645.24365	2.1
646.22168	3.3
661.25037	5.7
676.26849	100.0
677.26666	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	677.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
54.99995	1.2
55.01877	2.0
55.05508	14.1
57.03429	3.6
57.07063	4.3
61.02647	2.2
61.02924	27.6
65.03933	1.9
65.56694	1.2
67.05499	80.1
69.03422	3.7
69.07069	13.3
69.29505	14.8
71.04974	3.5
73.02916	11.8
76.35534	1.3
79.05486	57.4
81.03395	4.1
81.07048	86.0
83.04976	2.1
83.08624	9.1
85.02903	33.1
85.06532	3.2
91.03951	28.3
91.05466	27.1
93.07036	62.9
95.04948	4.8
95.08598	64.0
97.02879	13.4
97.06506	3.4
97.10173	4.4
99.04460	2.5
99.08068	4.5
103.03915	1.6
105.07022	23.9
107.08590	38.0
109.06498	3.1
109.10147	39.0
111.08088	2.5
113.09673	1.7
115.03931	2.5
117.07013	9.6
119.08578	18.9
121.10133	40.1
123.11700	18.3
125.09651	1.6
127.03898	9.4
131.08553	21.5
133.10110	16.0
135.11671	33.9
137.09599	1.6
137.13232	8.2
139.11203	2.3
145.04971	12.5
145.10120	17.9
147.11670	16.5
149.13234	25.2
151.07541	2.5
151.11191	3.8
151.14847	2.5
153.12749	1.5
159.11702	17.6
161.13240	12.8
163.06007	18.5
163.07310	1.7
163.14798	16.8
165.05441	2.4
165.12729	2.4
173.13242	16.1
175.14841	3.6
177.16370	6.2
179.14326	2.1
187.14801	10.8
191.14421	2.8
201.16356	5.4
205.15950	2.1
215.17912	2.1
233.22597	2.4
242.78207	1.5
243.21068	40.8
261.22113	100.0
262.22507	2.9
279.23026	2.3
335.25812	18.0
353.26807	35.6
445.34842	1.7
497.31241	1.9
580.11584	1.6
677.35071	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	677.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
55.01876	1.3
55.05302	1.1
55.05508	11.7
57.03434	8.6
57.07065	3.0
57.62371	1.0
61.02929	15.9
65.03925	2.0
67.05501	74.2
69.03413	3.2
69.07064	13.2
69.32378	2.7
69.32789	9.0
70.21772	1.1
71.04977	3.7
71.08611	1.8
73.02912	6.5
79.05483	43.4
81.03407	2.3
81.07050	83.0
83.04967	1.5
83.08601	6.6
84.72777	1.1
85.02902	20.6
85.06525	3.2
91.03947	14.2
91.05473	20.7
93.07037	54.1
95.04954	4.9
95.08601	66.3
97.02888	9.1
97.06526	5.2
97.10165	3.0
99.04491	1.3
99.08086	3.1
105.04528	1.1
105.07030	18.6
107.08585	37.2
109.06513	1.9
109.10149	39.8
111.08067	2.2
117.07009	7.7
119.08556	16.2
121.10134	33.3
123.08017	2.7
123.11696	15.5
125.09650	1.5
127.03892	8.5
131.08554	20.0
133.10109	15.8
135.11679	28.4
137.09627	2.7
137.13216	7.7
139.11214	1.9
145.04953	11.4
145.10088	14.1
147.11659	12.5
149.13252	20.7
151.07521	2.2
151.11156	3.0
151.14836	2.7
159.11685	16.2
161.13234	11.5
163.06023	12.3
163.14796	16.2
165.12714	1.7
173.13257	16.5
175.14830	4.3
177.12715	1.9
177.16393	6.0
179.14307	2.7
183.06471	1.1
187.14786	9.9
191.14333	1.3
201.16289	4.1
205.15823	2.3
219.17465	1.5
233.22664	4.6
243.21078	36.1
261.22122	100.0
262.22388	1.3
279.23108	5.2
284.95233	1.1
304.43692	1.4
324.10190	1.2
335.25784	31.2
353.26831	30.5
356.31610	1.3
497.31448	6.0
632.48840	1.3
677.34467	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	678.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.2
56.05023	0.5
58.06622	0.4
59.07376	0.2
60.08158	7.0
67.05492	0.3
70.78265	0.3
70.78622	0.2
71.07368	3.0
79.05497	0.2
81.03401	0.3
81.07030	0.4
85.02892	0.2
86.09695	31.5
87.10014	0.2
88.16082	0.1
91.05470	0.5
93.07026	0.3
95.04984	0.2
95.08600	0.3
98.98455	2.9
104.10735	2.8
105.07011	0.4
107.08624	0.2
109.10149	0.2
111.87811	0.1
117.03366	0.2
119.08579	0.2
121.10194	0.2
123.04486	0.2
123.08080	0.1
124.99990	20.8
137.05966	0.3
137.82730	0.1
143.01073	0.3
145.02866	0.2
147.04428	0.2
151.03917	0.2
156.22789	0.1
167.07104	0.2
177.05467	0.4
181.04948	0.2
184.07321	100.0
185.07610	0.9
277.84982	0.1
468.23676	0.2
678.36108	7.4
679.36462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01865	4.7
55.05505	10.0
57.03432	9.2
57.62040	1.0
61.02923	2.4
65.03920	1.6
67.05498	26.4
69.03429	5.3
69.07056	9.1
71.04980	4.0
71.52551	1.6
79.05482	15.8
81.03414	31.6
81.07047	30.8
83.04977	10.7
83.08614	8.6
85.02898	11.7
85.06534	4.6
86.09705	1.8
91.05474	35.8
93.06453	2.1
93.07032	17.4
95.04966	14.0
95.08600	7.4
97.02879	2.8
97.06525	3.2
97.10173	2.9
99.04436	3.3
105.07021	27.2
107.04949	5.1
107.08585	20.6
109.02842	1.6
109.06522	5.3
109.10146	40.4
111.08080	2.9
113.06030	3.2
115.05472	1.2
116.10732	1.4
117.03361	1.3
117.07059	1.9
119.08581	9.6
121.06448	1.8
121.10143	5.0
123.08062	1.8
123.11706	7.5
125.00004	1.3
127.03925	1.7
127.07570	1.8
129.07014	5.2
131.08568	6.1
133.06476	1.2
133.09108	2.4
133.10120	45.7
135.11711	1.9
137.05978	2.9
145.02840	2.9
147.04404	1.8
147.11699	6.7
149.09595	3.2
151.11172	22.9
157.10127	6.6
161.09584	1.8
165.12738	2.4
169.12231	3.8
175.11215	6.4
177.05446	3.9
179.10738	1.9
184.07350	5.3
193.12230	18.6
207.06517	2.0
209.24881	1.2
211.13272	35.4
211.15263	1.8
214.18095	7.3
215.12721	3.2
253.14334	100.0
254.14684	1.8
267.15826	7.4
271.15430	18.9
285.16949	20.6
445.25742	5.3
450.86038	1.3
463.26929	16.9
481.27969	53.3
678.24957	2.0
678.35510	1.6
679.33038	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.9
55.01855	5.4
55.05508	31.9
57.03429	18.2
57.07067	39.1
64.74644	2.6
65.03928	4.7
67.05500	37.2
69.03424	16.7
69.07069	15.1
71.04975	6.6
71.08627	30.5
71.19212	6.3
72.38840	2.4
73.02912	2.8
79.05473	20.8
81.03412	96.4
81.07056	47.3
82.31609	2.5
83.04488	5.9
83.04971	97.7
83.08614	30.9
85.02895	17.8
85.10155	19.1
89.06008	6.0
91.05441	18.5
93.07026	17.0
95.04962	17.8
95.08596	35.8
97.02890	12.9
97.03452	2.5
97.06521	6.5
97.10162	14.8
99.04454	10.9
99.08063	3.6
105.07020	21.3
107.04955	5.9
107.08578	9.1
109.02871	9.3
109.06519	4.9
109.10137	21.5
111.04434	34.9
111.08070	10.8
115.05431	2.7
119.08585	17.2
121.10133	8.8
121.65855	2.5
123.11707	6.6
125.09538	3.6
127.03893	11.1
129.05457	45.6
129.07008	8.1
131.08525	9.6
133.06462	2.4
133.08571	4.0
133.10083	10.4
135.11678	7.8
142.07802	3.7
145.10080	5.5
147.11665	20.0
149.09593	4.7
153.12708	7.8
154.49861	2.5
157.10092	14.2
161.09680	3.0
163.11220	5.4
165.12727	4.5
175.11206	11.9
181.12288	7.8
191.10667	11.2
193.12248	39.3
211.13258	73.6
211.20532	2.8
227.12723	17.3
229.14322	11.9
239.23705	8.9
249.14745	3.6
267.15970	16.5
269.72662	2.6
283.15347	6.5
285.16885	15.3
309.16885	3.0
313.27368	79.4
337.16464	3.9
355.17758	6.8
393.18884	2.9
411.20026	5.0
429.20950	16.3
489.35724	4.4
505.38605	12.0
523.39893	100.0
524.40240	3.5
617.23572	4.6
635.24670	17.8
636.25055	3.2
667.44043	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	686.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01865	1.0
55.05507	10.0
57.03178	1.4
57.03430	10.7
57.07067	1.7
59.04991	3.2
61.02926	3.9
65.03942	1.9
67.05496	100.0
69.03420	2.3
69.07061	9.2
69.38009	3.4
69.38433	3.2
69.88147	0.6
71.04985	3.3
73.02890	1.8
79.05483	23.0
81.03421	1.2
81.07046	40.5
83.04993	0.8
83.08618	8.1
85.02901	4.6
85.06537	2.5
91.03957	2.3
91.05464	14.3
93.07033	25.9
95.04959	2.2
95.08592	26.4
97.02872	2.2
97.06515	1.7
97.10165	2.4
99.08092	1.3
103.03925	1.1
105.07026	7.1
107.08580	17.5
107.09290	1.1
109.06548	1.7
109.10141	72.2
111.08083	3.1
117.07028	2.9
119.08572	10.2
121.10135	10.3
123.11707	3.1
125.09686	1.4
130.98869	0.7
131.08549	5.7
133.10124	5.0
135.11681	6.5
137.09592	4.3
137.13246	1.4
145.10118	4.3
147.11656	4.4
149.13252	5.1
151.14871	1.2
153.55760	0.8
155.10648	4.4
159.11729	2.4
161.13216	2.0
163.14862	2.6
173.11752	22.4
173.13278	3.6
175.14865	1.0
177.16385	1.0
184.07433	0.8
187.14879	1.4
188.59761	0.7
189.11186	1.0
209.25533	0.7
214.64909	0.7
227.12814	4.5
229.14316	92.9
230.14732	0.8
233.22495	0.9
243.20999	5.8
261.22083	19.5
317.24860	2.9
335.25760	85.7
336.26233	2.4
379.29855	1.4
397.31012	0.9
471.35059	1.0
489.35678	66.4
490.36069	3.7
507.36761	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	686.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.05502	11.1
57.03431	13.3
57.07073	1.6
59.04989	3.9
61.02925	4.1
65.03931	2.3
67.05496	100.0
69.03414	1.4
69.07058	8.4
69.38103	3.5
69.38525	1.6
71.04989	2.8
73.02893	1.7
79.05483	16.8
81.07045	36.0
82.07384	0.6
83.04987	1.1
83.08608	7.7
85.02892	4.3
85.06529	2.7
86.09805	0.5
91.03956	1.8
91.05472	13.0
93.07034	25.3
95.04968	1.9
95.08595	26.3
97.02888	2.0
97.06508	1.4
97.10142	1.5
99.08078	0.9
105.07014	6.8
107.08580	12.2
109.06528	0.8
109.10144	84.3
110.10460	0.8
111.08079	2.8
113.09685	0.7
117.07014	2.3
119.08565	10.4
121.10130	9.1
123.11685	2.6
125.09611	1.8
131.08557	5.1
133.10110	4.0
135.07918	0.6
135.11658	7.2
137.09616	3.7
137.13223	1.2
145.10088	3.0
147.11687	3.5
149.13254	3.9
155.10670	4.8
155.67041	0.6
159.11658	4.0
161.13239	2.4
163.14799	2.5
165.09166	0.6
173.11742	22.4
173.13237	3.1
174.12140	0.6
175.14807	1.6
177.16429	0.7
187.14825	1.6
189.11153	0.9
199.14899	0.7
201.16298	0.7
211.85913	0.6
227.12717	4.1
229.14319	89.5
230.14873	0.7
233.22516	0.7
243.21019	4.9
261.22107	13.3
317.24600	2.3
335.25760	60.3
336.25989	0.8
379.29672	1.0
397.31009	1.6
415.32251	0.7
454.74469	0.5
471.34476	1.3
489.35706	32.4
507.36765	3.4
655.06824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.7
55.01862	12.2
55.05508	31.7
57.03436	17.2
57.07069	2.4
57.07931	2.3
61.02920	6.3
65.03906	3.5
67.05495	63.8
69.03418	32.7
69.07063	19.0
71.04979	10.3
73.02893	2.7
77.03898	3.0
79.05489	56.9
81.03413	100.0
81.07050	66.9
83.04987	22.2
83.08609	17.1
85.02902	22.5
85.06540	6.2
91.03897	2.4
91.05466	60.6
93.07032	49.4
95.04967	24.6
95.08597	39.4
97.02879	17.2
97.06522	9.6
97.10152	10.4
99.04458	8.4
105.07014	61.2
107.04936	16.0
107.08585	28.2
109.02850	16.6
109.06511	8.3
109.10152	13.3
111.04428	9.7
111.08089	8.6
113.06001	3.1
115.05434	6.4
117.07012	29.2
119.04896	3.0
119.08572	44.5
121.06520	5.8
121.10124	21.3
122.93992	2.4
123.04455	2.4
123.08064	7.3
123.11703	7.0
125.09595	6.1
127.03911	9.5
128.06175	7.0
129.05441	4.9
129.06973	29.8
131.04889	2.6
131.08546	36.7
133.06456	6.0
133.10117	29.7
135.08055	8.0
135.11674	11.9
137.05972	3.8
141.06937	12.3
142.07800	7.8
143.08562	23.7
145.06461	6.1
145.10107	31.4
147.04402	3.1
147.08029	6.8
147.11658	23.1
149.06012	3.6
149.09598	6.7
149.13275	6.6
151.07521	5.1
153.07036	5.2
153.12703	3.1
154.07664	2.9
155.08551	19.3
157.10117	30.3
159.08022	7.5
159.11687	15.7
161.09564	3.0
161.13254	7.8
163.07629	2.6
163.11147	8.4
165.06953	6.4
165.09128	3.2
166.07840	3.2
167.08546	8.6
168.09315	6.2
169.06496	3.4
169.10129	24.7
169.11507	3.1
171.08052	6.7
171.11671	17.1
173.04424	19.3
173.09581	7.6
173.13257	8.6
175.11168	7.4
179.08585	5.9
181.10123	16.9
181.12350	2.8
183.08015	3.4
183.11682	19.7
185.09569	6.3
185.13211	14.2
187.14803	5.4
191.10747	6.4
193.10191	6.9
193.12228	28.8
195.10115	2.4
195.11736	9.9
197.09535	3.5
197.13210	12.3
199.11143	5.1
199.14764	5.2
201.12791	3.3
203.14291	2.7
207.11713	7.9
209.09595	5.1
209.13239	12.7
211.11353	5.1
211.13286	18.9
211.14529	3.1
211.14998	5.1
213.12660	3.0
219.11653	2.9
221.13268	6.0
223.11235	4.2
223.14835	6.5
225.16371	2.8
227.12663	5.0
233.13315	3.1
235.14868	4.0
237.12752	3.1
237.16380	3.4
239.14162	3.1
239.17883	2.8
241.19548	4.1
257.19046	6.8
259.20496	5.2
267.15924	7.2
271.20563	5.3
275.20172	5.8
285.16895	9.7
287.20068	3.9
295.17361	3.3
299.19852	2.9
321.22141	4.9
325.21643	7.3
337.21786	2.9
339.23190	6.4
343.22681	4.7
349.21494	9.3
351.23007	3.6
367.22476	15.4
369.24356	5.0
385.23740	7.7
433.31067	8.7
441.26563	4.5
451.32138	4.0
459.27325	5.3
500.85303	3.0
507.34607	3.1
515.37317	6.2
525.35754	56.9
537.36017	3.0
543.36591	11.5
567.36615	3.8
633.37518	7.9
639.38080	3.3
651.39008	25.9
669.39850	32.5
687.29791	4.1
687.41058	63.7
688.41357	4.9
688.52643	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	688.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.9
55.05503	18.6
57.03424	12.0
61.02916	2.6
65.03937	4.3
67.05499	46.6
69.03400	3.1
69.07056	11.3
69.37562	5.8
69.37973	18.1
71.04980	4.0
79.05483	63.7
81.03412	61.6
81.07049	47.6
83.04957	21.1
83.08603	23.5
83.75910	2.5
85.02897	22.0
88.20058	3.5
91.05470	65.5
93.06468	5.2
93.07030	57.4
95.04955	40.4
95.08595	23.7
97.02898	4.4
97.06518	7.1
97.10171	6.4
100.96194	2.6
105.07013	45.9
105.07684	3.9
107.04926	10.5
107.08589	17.3
109.06499	10.3
109.10120	5.9
111.08068	7.0
115.05426	3.8
117.07006	5.5
119.04940	2.4
119.08573	33.5
121.06462	3.9
121.10112	12.3
123.08057	6.7
125.09585	3.0
129.06984	24.9
131.08562	13.0
133.10104	19.6
142.07744	2.7
143.08508	7.0
145.10117	12.7
147.08023	7.4
147.11681	33.5
149.09598	4.4
152.94577	2.6
157.10120	11.4
161.09641	4.4
161.13220	6.2
171.11687	14.5
175.11211	12.2
178.91797	2.5
179.71046	2.5
189.12698	6.1
193.12222	33.1
207.13791	19.6
211.13261	36.1
267.15900	34.3
281.17438	59.5
284.67072	3.1
285.16919	37.1
384.32547	2.8
401.57593	2.5
473.28937	100.0
474.29092	5.9
491.29971	77.9
492.30383	4.5
539.04553	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	688.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.7
55.01870	3.9
55.05507	27.5
55.55637	2.4
57.03425	14.7
61.02892	2.9
64.37328	2.5
65.03948	2.8
67.05501	52.5
69.03424	3.3
69.07059	11.5
70.09215	12.2
73.67922	3.5
74.33895	2.8
79.05487	76.4
81.03413	53.6
81.07054	50.2
83.04970	25.0
83.08602	26.9
85.02902	18.3
85.06533	4.0
91.05474	73.8
93.07036	73.3
95.04959	36.3
95.08607	28.1
97.02885	5.2
97.06539	4.7
97.10150	6.5
98.80389	2.8
105.07023	50.9
107.04963	8.3
107.08574	22.7
109.06525	9.6
109.10168	4.4
111.04462	3.3
111.08066	7.8
117.07008	10.8
119.08575	33.6
120.53885	2.6
121.06490	3.3
121.10139	6.3
123.08073	9.0
128.06215	2.9
129.06989	22.1
131.08568	10.9
133.06528	4.8
133.10147	18.0
143.08521	9.4
145.10133	11.4
147.11658	42.8
149.09636	3.9
157.10103	9.2
161.09653	3.3
161.13271	9.5
166.90681	2.9
171.11662	26.2
172.06262	3.1
175.11194	10.0
184.79132	2.7
189.12778	11.5
193.12231	25.0
207.13812	34.1
211.13254	39.1
267.15903	40.4
281.17462	100.0
285.16937	28.0
340.51288	2.9
473.28986	80.7
491.30075	93.7
492.30505	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	689.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
57.07058	0.8
67.05506	1.7
69.03421	0.9
69.07048	0.9
71.52756	1.1
78.15469	0.6
79.05501	1.4
81.03409	0.9
81.07048	1.9
83.04932	0.9
83.08604	1.1
86.09692	1.4
87.74563	0.7
89.06008	1.1
91.05463	1.9
93.07026	1.6
95.08609	1.2
95.36423	0.6
105.07017	1.6
110.84859	0.6
119.08593	1.5
133.08664	0.8
133.10106	1.0
145.10120	0.8
151.07565	0.8
173.13268	0.7
175.81772	0.7
184.07359	3.1
338.75906	0.8
367.38062	0.7
370.10651	1.0
384.12009	3.8
385.12997	3.8
397.13086	2.2
398.13654	9.9
399.14532	14.8
400.15369	21.5
401.16000	2.0
403.14828	0.8
411.14761	2.3
412.15366	8.5
413.16107	19.2
414.16913	10.9
416.14987	3.2
418.17548	2.2
424.15454	1.0
425.16162	1.9
426.17526	3.2
427.13281	3.2
427.18408	13.0
428.18637	15.5
429.19360	13.6
438.16760	1.5
439.13467	0.9
440.14719	1.1
441.15579	5.7
442.16269	13.7
443.17258	1.3
444.14261	2.5
446.17020	2.1
454.16171	1.5
455.17172	35.8
456.17624	16.9
457.13754	0.8
457.18723	2.2
458.15723	4.5
459.16620	5.8
460.16733	0.8
469.14209	3.7
470.19858	0.9
471.17331	1.2
472.17560	1.7
473.18265	1.9
481.15231	2.1
482.15665	1.3
483.16608	30.7
484.16428	4.5
486.19019	2.4
487.16144	3.5
487.20706	0.9
488.16858	1.9
495.16635	1.8
496.17282	0.7
499.16138	7.1
500.16644	2.5
501.18033	1.0
503.20663	0.7
511.20370	3.8
515.19269	2.3
523.16162	2.8
524.16406	1.3
527.15417	26.3
527.36975	1.0
528.15875	8.1
537.17224	0.8
538.18256	0.9
539.19189	12.2
540.19647	1.5
541.20679	1.5
543.22327	22.5
544.22839	1.3
555.18121	1.3
569.19458	0.8
571.21814	100.0
572.22070	6.3
574.24066	8.5
586.20410	1.7
587.20996	2.5
601.22833	8.1
602.23712	37.5
603.23914	2.5
613.22693	1.4
615.20770	5.0
617.25964	2.7
629.22394	30.7
630.22748	24.3
631.22693	1.5
633.25360	1.8
643.24078	1.8
657.21838	67.7
658.22253	4.5
661.25085	5.5
689.24500	19.8
689.42157	1.5
690.24408	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.05496	1.3
55.58889	0.4
57.03426	0.5
65.03912	0.4
67.05489	2.3
69.03416	0.7
69.07051	1.3
69.84531	2.4
70.38094	0.4
71.04986	0.5
77.03907	0.5
79.05497	2.6
81.03413	1.7
81.07049	3.5
81.53467	0.4
83.08613	0.7
85.02881	0.4
89.06033	0.6
91.05474	8.2
91.06012	0.6
93.07053	2.6
95.04958	1.2
95.08602	2.1
103.05457	0.6
104.06233	0.6
105.07022	2.7
107.04945	2.9
107.08578	1.4
108.86142	0.4
109.02841	0.5
109.06497	0.7
109.10153	1.8
111.08081	0.4
115.05446	1.3
117.07005	2.9
119.04932	0.5
119.08573	2.7
121.06473	5.9
121.10166	0.6
123.04427	1.2
123.08061	0.6
123.11687	0.6
124.05206	1.3
128.41754	0.4
129.06978	0.8
130.28949	0.4
131.04893	0.6
131.08577	0.5
132.05684	1.6
133.06487	0.9
133.10132	0.8
135.04419	1.3
135.08018	2.4
136.05182	8.7
137.05914	0.4
137.09627	0.4
138.06744	8.0
139.07544	2.1
145.10146	0.6
146.07208	0.5
147.08022	5.5
147.11655	0.5
148.08812	4.7
149.05965	6.3
149.09520	0.7
150.06725	1.9
151.07521	58.1
152.07860	1.8
161.09680	0.4
162.06808	1.0
163.07506	1.7
164.08307	11.0
165.05499	0.5
165.09090	10.4
167.07104	0.5
175.07602	0.8
177.05495	2.2
177.09125	1.5
179.10649	100.0
180.10976	2.2
184.07336	0.8
189.09090	0.9
191.10663	0.8
193.08598	1.2
193.12254	1.0
195.06538	0.7
195.10083	0.9
201.09193	0.6
205.08617	0.9
205.12213	0.6
211.13222	0.5
215.10620	0.5
217.12413	0.5
229.12215	0.9
229.14255	0.4
257.15466	0.4
271.12869	0.4
271.16928	0.9
299.16522	0.6
299.19727	0.5
300.20691	0.8
315.85370	0.4
335.25732	0.5
369.12936	0.5
467.77155	0.5
613.80414	0.4
689.42035	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.4
53.00290	1.2
53.03939	10.7
55.01874	6.8
55.05504	29.0
57.03432	12.8
57.07070	1.8
57.81028	1.3
65.03936	6.6
65.59513	1.1
67.05499	73.3
69.03422	36.7
69.06722	1.8
69.07063	22.2
69.84679	5.3
71.01361	1.3
71.04988	11.5
77.03925	2.1
79.05486	71.7
81.03410	100.0
81.07046	74.2
83.04968	22.9
83.08611	23.1
85.02894	21.2
85.06537	3.7
91.05471	63.5
93.07034	74.0
93.98648	1.2
95.04958	33.0
95.08596	43.8
97.02881	22.4
97.06508	9.9
97.10175	5.7
99.04440	6.0
99.08092	2.4
103.05447	2.8
105.04491	2.0
105.07026	49.2
107.04952	8.6
107.08583	32.4
108.17178	1.3
109.02876	17.2
109.06508	7.4
109.10136	17.9
111.04427	12.3
111.08078	10.6
113.06023	2.2
115.05446	3.4
117.06998	17.3
119.04924	1.4
119.08570	34.0
121.06524	6.2
121.10127	33.6
123.04456	2.1
123.08068	5.7
123.11697	7.1
125.09644	4.3
127.03905	11.1
128.06184	2.1
129.05495	2.2
129.06981	16.8
131.04948	2.0
131.07605	1.5
131.08565	29.7
133.06499	4.0
133.10112	22.6
135.08052	3.2
135.11687	14.4
137.06000	2.2
137.09628	5.2
137.13249	1.8
139.11241	1.6
141.06996	3.1
142.07794	4.5
143.08548	10.2
145.06477	2.8
145.10112	19.1
147.08034	4.9
147.11668	28.0
149.05989	2.0
149.09613	6.2
149.13239	7.4
151.07561	2.4
151.11136	1.7
153.06900	1.5
153.12761	3.4
155.08524	6.1
157.06490	2.0
157.10123	20.2
159.08035	1.7
159.11702	10.8
161.09590	1.8
161.13268	4.2
163.11180	5.1
163.14841	1.8
165.09186	1.4
165.12766	6.0
167.07249	1.3
167.08597	3.8
169.10146	4.1
171.08107	1.3
171.11642	8.6
173.04504	5.0
173.09636	2.7
173.13269	8.5
175.11162	13.9
175.14780	2.7
177.09163	1.9
177.12880	1.4
178.49243	1.2
181.10161	3.1
181.12230	4.2
183.08025	1.6
183.11719	4.4
185.13193	6.2
187.11127	1.5
187.14812	2.6
189.12764	1.5
191.10728	4.4
193.12230	42.8
195.11725	2.9
197.09590	1.4
197.13313	3.8
199.11208	2.2
199.14891	2.8
201.12711	2.4
209.13370	2.4
211.13252	59.8
215.14392	1.4
217.12164	2.1
219.13786	1.4
223.14851	1.5
227.12610	5.5
229.14285	3.0
235.13229	1.6
243.21147	1.3
249.14801	2.3
255.13588	1.4
259.20786	1.6
261.22195	4.1
267.15930	6.9
273.22205	1.4
277.21613	2.5
285.16928	9.7
285.22058	1.5
301.21750	3.3
303.23419	1.3
315.23251	2.7
317.24765	2.9
319.15329	1.7
327.23132	2.2
335.25879	14.1
337.16458	1.5
341.24832	2.2
351.23233	5.2
355.17563	9.0
369.24158	8.3
387.25397	4.8
393.19366	1.7
405.26312	2.9
411.19992	5.6
435.32391	1.7
443.27975	4.4
461.29004	3.3
471.34799	1.7
509.36029	1.4
527.37238	14.3
545.38483	8.4
635.39093	1.7
653.40222	6.0
671.40997	7.0
689.42535	62.2
690.42731	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	689.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.7
55.01868	6.1
55.05505	32.3
57.03432	11.1
57.07080	1.4
58.95383	1.1
59.04984	2.1
65.03924	4.9
67.05498	73.2
69.03426	32.0
69.07063	19.9
70.83572	2.6
71.01360	1.3
71.04989	11.0
73.02917	1.9
77.03906	2.7
79.05486	75.5
81.03411	100.0
81.07045	74.8
83.04977	21.9
83.08614	23.9
85.02899	19.8
85.06548	5.2
91.05472	65.0
93.07037	66.7
93.07636	2.7
95.04957	29.9
95.08599	49.2
97.02884	18.0
97.06535	8.0
97.10146	6.1
99.04449	7.7
99.08102	1.9
103.05492	2.2
105.04520	2.6
105.07019	46.6
107.04935	13.1
107.08582	37.1
109.02868	15.8
109.06490	8.5
109.10144	14.6
111.04430	10.7
111.08081	10.2
113.05979	2.5
115.05443	4.8
117.07009	18.5
119.04974	1.8
119.08572	38.3
121.06492	5.9
121.10139	26.6
123.04465	2.2
123.08064	4.6
123.11683	6.8
125.09569	2.4
127.03896	11.3
128.06224	2.5
129.05495	3.8
129.06985	17.6
131.04941	3.0
131.08549	26.8
131.09515	1.4
133.06509	5.6
133.10107	20.6
135.04445	1.6
135.08058	2.7
135.11688	15.2
137.05948	2.2
137.09628	5.1
141.06984	3.2
142.07814	3.3
143.08539	8.0
145.06505	2.8
145.10109	20.9
147.08034	6.1
147.11674	28.9
149.06010	1.5
149.09555	6.6
149.13263	6.6
151.07574	2.1
151.11191	1.4
153.12761	2.8
155.08577	6.2
157.06551	1.7
157.10107	16.1
159.08075	3.8
159.11650	9.0
161.09637	2.5
161.13268	7.0
163.11194	4.7
163.14920	1.6
165.09120	1.9
165.12735	7.5
167.07234	1.1
167.08549	3.7
169.10130	4.6
171.11655	6.7
173.04443	4.5
173.09668	2.7
173.13202	7.6
175.11200	11.6
177.09138	1.3
181.10144	4.5
181.12209	2.3
183.11652	2.7
185.09592	2.3
185.13220	6.2
187.11211	3.5
187.14813	3.1
189.12747	1.8
191.10696	4.3
193.12224	39.9
195.11836	2.3
195.13809	2.5
197.09561	1.4
197.13228	2.9
199.05949	1.7
199.14880	3.5
201.12755	1.6
201.16457	1.4
205.12297	1.8
209.13327	2.2
211.13245	55.6
213.12871	1.3
213.14775	1.4
221.13232	1.3
223.14838	1.8
225.12753	1.5
227.12808	3.4
229.14391	3.1
241.19682	1.2
243.13806	1.3
243.20956	1.4
245.15477	2.0
249.14651	1.7
259.20654	4.0
261.22180	6.1
267.15912	8.6
273.22369	1.5
277.21719	2.0
283.20538	1.5
285.17068	7.2
285.21976	1.7
291.23157	1.2
301.14374	1.9
301.21616	3.6
315.23291	1.8
317.24661	1.9
333.24423	1.6
335.25775	15.4
337.16620	1.8
339.23190	1.3
341.24777	2.2
351.23013	1.5
355.17624	7.8
363.25647	2.3
363.82858	1.3
369.24063	7.0
387.25281	3.1
405.26144	2.1
411.20084	3.8
422.68219	1.1
443.28082	2.7
453.33508	1.4
461.29196	3.4
479.30484	1.9
527.37195	15.1
545.38361	8.3
635.39557	1.2
653.40869	4.7
671.41095	5.6
689.42480	62.4
690.42633	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	689.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	13.0
55.01870	8.3
55.05502	33.3
57.03415	14.0
57.07072	5.5
61.02908	8.5
62.51788	4.1
62.56617	4.9
63.87745	3.8
67.05134	4.5
67.05493	87.0
69.03431	34.4
69.07056	31.4
71.04994	11.7
73.02898	7.2
79.05486	67.6
81.03408	83.1
81.07048	95.6
83.04960	24.5
83.08608	19.3
85.02885	19.8
85.06535	4.5
89.05987	5.3
91.03950	4.5
91.05467	62.2
93.07033	76.2
95.04956	15.2
95.08588	48.6
97.02872	41.4
97.06532	12.8
97.10122	5.6
99.04425	6.9
99.08014	4.4
105.07023	54.0
107.04923	8.8
107.08579	48.5
109.02890	8.7
109.06493	6.5
109.10168	21.6
111.04446	7.6
111.08082	5.8
117.07014	26.9
119.04790	3.9
119.08549	37.5
120.86088	3.8
121.06488	5.8
121.10108	27.6
123.08054	9.5
123.11657	5.6
125.53886	4.3
127.03912	14.9
128.06195	7.4
129.05396	6.9
129.06978	23.2
130.98494	4.2
131.08566	46.4
133.10103	23.3
135.08022	4.9
135.11678	17.8
135.60918	4.8
137.09576	5.2
140.07484	4.2
141.06973	10.1
143.08537	21.8
145.06476	7.0
145.10109	33.3
147.11613	35.0
149.13206	10.5
151.11105	5.1
155.08534	12.6
157.10106	24.8
159.11687	23.3
161.13225	10.4
165.12733	5.4
166.46233	4.9
167.07005	6.5
167.08548	4.9
169.10139	17.4
171.11684	17.5
173.04430	13.6
173.09575	4.6
173.13229	14.2
175.11105	5.9
181.10162	11.7
183.11703	19.8
184.07307	6.7
185.13275	15.2
187.14775	10.2
193.12277	13.3
195.11768	6.9
197.13193	7.7
199.14751	5.7
207.11757	5.4
209.13252	8.1
210.90678	4.6
211.13211	9.9
229.31575	5.3
261.22086	5.9
267.15863	10.2
283.33386	4.9
306.28012	5.4
307.28030	4.6
309.22375	5.1
335.25598	7.3
349.33276	4.4
411.19882	5.2
432.36923	4.7
435.32498	10.7
453.33090	10.4
471.34390	6.2
525.35980	5.5
527.37256	100.0
545.38263	8.3
629.88409	4.8
653.40332	6.5
671.40826	13.4
689.42548	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96963	0.3
53.03935	0.6
55.01860	0.5
57.03427	0.4
65.03930	2.6
67.05482	0.8
69.03424	1.8
71.04984	0.5
71.53043	0.5
71.53432	0.3
72.46490	0.3
81.03410	5.4
81.07032	0.9
84.54609	0.3
85.02898	2.3
91.05460	2.0
93.03377	1.3
93.07024	0.4
95.04951	1.2
95.08604	0.3
97.02868	2.6
99.63073	0.3
103.05479	0.8
105.07021	0.8
107.04934	1.2
108.02097	1.0
109.02854	2.4
109.06498	0.4
110.03640	0.5
111.04429	4.1
117.07014	0.4
119.04910	1.4
121.06487	0.7
123.04401	0.7
125.05973	3.9
127.03914	1.8
129.06990	0.8
131.04904	1.5
131.08589	0.3
133.06499	0.4
133.10077	0.4
134.05946	0.4
135.08093	0.5
136.01538	0.3
137.05960	7.8
137.06932	0.5
138.06305	0.4
139.03897	0.8
141.05449	1.9
145.04961	0.5
145.06451	0.5
147.04393	0.8
147.07979	0.4
149.05988	1.1
149.09566	0.3
151.03888	100.0
151.04918	4.3
151.07460	4.5
152.04208	1.4
157.06506	0.9
161.05943	1.4
163.07542	3.4
165.09177	0.4
167.07028	1.1
167.08525	0.8
169.04944	12.0
174.06723	0.4
175.03925	0.4
175.07524	0.9
175.34973	0.3
177.05479	1.1
177.09084	5.4
179.07033	0.3
181.04918	0.5
188.03719	3.5
189.09082	1.8
191.07028	1.2
193.06441	0.3
193.08557	0.6
193.10173	0.5
194.07233	0.4
195.06523	0.4
195.08087	1.3
195.09798	0.3
206.34625	0.3
207.06462	0.5
209.08009	0.6
211.09544	0.4
219.10214	0.6
221.05983	0.5
221.09656	0.5
221.11736	1.0
223.07570	0.7
225.09149	0.5
227.10583	1.8
249.09088	0.3
253.08591	0.9
253.12309	1.1
255.10176	1.5
265.08508	0.3
283.08148	1.0
285.11185	1.4
287.12741	2.7
295.08099	6.1
297.11310	0.4
299.12814	0.9
311.12769	0.8
312.10654	0.3
313.09146	8.6
313.14249	2.3
314.06870	0.9
323.12650	0.4
331.15359	9.1
343.15442	1.2
421.16293	0.7
439.17657	0.4
613.76050	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01622	0.8
55.01873	5.2
55.05503	14.7
57.03428	13.1
57.07055	0.9
60.33686	0.9
61.02901	0.9
61.08541	1.0
65.03928	1.5
67.05497	24.2
69.03416	3.3
69.07062	8.6
71.04979	4.2
71.53002	1.3
73.02917	2.3
74.06810	0.9
79.05483	31.4
81.03409	42.8
81.07046	35.2
83.04975	11.1
83.08604	22.0
85.02894	18.9
85.06557	1.0
91.05470	22.6
93.07032	41.2
94.07334	1.1
95.04955	23.7
95.08595	35.1
96.08889	1.0
97.02882	6.5
97.06512	6.0
97.10143	2.8
99.04457	3.7
99.08077	1.6
105.04491	1.0
105.07021	21.9
107.04960	11.7
107.08578	29.0
109.02869	1.1
109.06512	5.4
109.10146	3.4
111.04433	3.0
111.08087	6.7
113.05976	2.5
117.07011	9.3
119.05013	1.2
119.08566	19.4
120.08934	0.9
121.06501	7.6
121.10134	18.7
121.11024	1.0
123.04365	1.1
123.08076	2.2
123.11702	1.7
125.05978	3.5
125.09634	1.1
129.05482	1.1
129.06995	7.8
130.07747	1.4
131.08553	8.3
133.06512	1.8
133.10117	9.8
135.08044	2.3
135.11671	47.8
137.09575	1.3
139.07506	2.4
145.06448	1.2
145.10104	25.7
146.10446	0.9
147.08052	1.6
147.11655	10.9
149.09564	5.0
153.12685	1.5
157.10092	10.7
163.11159	60.4
164.11432	1.3
165.12776	1.6
173.09639	1.2
175.11156	9.6
181.12233	11.3
193.12227	23.6
207.06537	1.1
209.11845	1.2
211.13258	33.2
211.15276	1.6
227.12759	63.3
228.13158	1.3
267.15897	29.3
283.15372	64.1
284.15750	1.4
285.16925	59.9
475.26910	32.6
476.27237	3.1
493.27908	100.0
494.28168	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	690.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
53.28868	1.6
55.01860	7.5
55.05510	18.1
57.03436	15.3
57.07058	1.4
57.95495	1.4
58.16628	1.3
59.04982	2.1
61.02927	2.4
65.03916	1.6
67.05504	20.8
69.03421	4.7
69.07067	9.4
71.04977	5.0
73.02876	1.6
79.05485	25.8
81.02929	2.5
81.03411	51.1
81.07045	27.3
83.01346	4.4
83.04978	16.2
83.08611	23.1
84.99059	1.5
85.02902	19.1
85.06497	1.8
91.03961	2.1
91.05475	30.1
93.07034	24.9
95.04954	23.5
95.08601	17.1
97.02888	6.3
97.06518	4.7
97.10158	5.8
99.04472	1.9
99.08064	2.6
103.05450	2.0
105.07021	23.4
107.04951	10.4
107.08595	17.0
109.02852	1.6
109.06517	6.4
109.10145	5.9
111.04436	3.1
111.08066	7.0
113.06031	2.3
117.07005	6.8
119.04925	2.2
119.08569	17.1
121.06496	5.6
121.10123	11.9
123.04415	2.4
123.08050	6.2
123.11692	2.8
124.03656	1.3
125.05994	1.8
125.84661	1.4
127.03906	2.2
128.06232	1.6
129.06998	9.0
131.04901	1.5
131.08574	10.2
133.10138	9.3
135.08067	3.1
135.11681	9.6
137.06038	2.4
137.09599	2.3
145.02821	1.7
145.06497	1.5
145.10124	13.3
147.04388	2.4
147.08014	3.1
147.11693	8.8
149.09596	4.9
153.12703	2.7
155.08583	1.7
157.10115	10.3
163.11179	18.0
167.07100	1.6
173.09633	1.8
175.03934	1.9
175.11174	10.0
177.05489	3.3
181.05022	1.7
181.12276	1.9
191.10600	2.1
193.12242	28.4
207.06573	2.2
209.11707	5.9
211.13268	50.4
211.15283	2.5
227.12697	4.2
267.15884	11.6
283.15359	56.9
284.15723	1.9
285.16946	37.3
383.22128	2.7
457.26218	2.6
464.19434	1.8
475.26926	15.5
493.27896	100.0
494.28241	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	691.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.5
53.03926	0.8
55.01864	2.5
55.05498	0.8
65.03922	1.6
67.05489	2.2
67.55794	0.4
68.99776	1.1
69.03421	1.1
69.07051	1.2
69.84821	0.6
69.85230	1.6
70.06580	0.4
77.03919	0.7
79.05479	3.1
81.03404	1.3
81.07046	1.9
83.04988	0.5
85.02879	1.5
85.06511	0.6
85.89267	0.4
91.05477	3.9
91.63574	0.4
93.03393	0.5
93.07014	1.4
95.04954	6.3
95.08591	1.0
97.02876	1.4
103.05451	1.2
105.03380	1.5
105.07016	5.2
107.04949	5.5
107.08565	0.9
107.43491	0.5
109.02872	1.6
109.06508	0.6
109.10151	1.3
111.04424	1.3
115.05450	3.2
117.07027	0.7
119.04935	5.6
119.08549	1.6
121.02854	0.8
121.10139	0.8
123.04419	37.8
124.05270	0.4
125.05942	0.9
127.03927	1.8
129.07018	0.8
131.04845	1.0
131.08577	0.5
132.05659	0.5
133.06474	5.5
135.04393	4.1
135.11682	0.5
137.02354	0.5
137.05952	2.8
139.03888	15.0
139.44072	0.4
140.04630	0.7
143.04892	1.5
143.05922	0.5
145.02844	0.7
145.06465	0.9
147.04396	18.6
147.08035	3.3
148.04729	0.6
149.05966	0.9
149.09535	0.6
151.03888	100.0
152.04306	1.9
153.05466	4.3
155.07005	1.7
157.06490	0.8
159.07913	0.4
161.05969	12.2
161.09601	0.4
163.03899	5.2
165.05475	8.7
165.06853	0.7
167.07027	30.3
168.07367	0.7
169.06392	0.7
171.06544	0.7
173.05936	4.0
175.03876	1.6
175.07539	5.7
177.05470	2.1
177.08984	0.5
179.07060	1.3
181.04950	9.8
181.06535	0.9
183.06519	3.4
187.07526	1.2
189.05472	1.0
189.09047	0.7
191.07010	1.4
192.07834	0.9
193.04944	5.6
193.06593	0.7
193.08557	3.4
197.05952	0.5
199.07538	0.8
202.06329	0.4
203.07005	1.2
205.08572	0.8
207.06520	3.7
207.10126	4.7
210.06915	0.5
211.07422	0.6
215.06969	1.6
217.08603	3.4
218.07198	0.4
219.08176	0.8
221.08025	0.9
235.09642	21.8
237.59596	0.4
239.07033	0.7
243.06604	0.8
247.07462	1.1
248.08156	0.5
251.10791	0.5
257.07996	0.6
264.07782	0.8
267.06403	0.6
279.10178	1.6
285.07578	3.1
292.07230	0.4
303.08603	72.9
304.08881	2.2
307.09705	1.8
325.10788	0.6
326.79214	0.4
339.12183	1.4
340.12918	0.5
371.14874	5.1
389.15915	65.5
390.16129	2.6
552.22479	0.4
648.46942	0.8
691.23920	1.5
691.38147	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26482	0.5
55.05497	0.5
56.15812	0.5
56.58590	0.5
67.05501	1.6
69.07064	1.0
70.87287	1.2
70.87626	0.6
71.56325	0.5
75.03795	0.5
77.82135	0.5
79.05486	1.2
80.72688	0.6
81.03394	0.7
81.07047	2.3
86.09699	0.8
91.05482	0.7
93.07027	1.4
95.04997	0.8
105.07022	1.5
107.08575	1.0
111.51567	0.6
119.08593	0.7
121.10119	0.8
123.11670	0.9
127.03989	0.6
133.10219	0.6
135.11671	1.0
137.05991	1.0
145.10170	0.7
147.04437	0.9
155.07004	0.5
161.06044	0.8
167.07074	0.9
177.05452	1.0
184.07344	0.8
191.03667	0.6
207.06569	0.6
216.29910	0.6
271.49966	0.5
400.15530	1.4
413.16031	0.9
426.17145	0.7
427.17978	1.0
428.14453	0.9
429.15643	1.7
430.16418	2.4
431.17191	1.3
441.19720	0.7
442.16690	0.7
443.16849	2.6
444.17856	1.3
455.17487	1.1
457.19147	4.2
458.19800	1.0
459.20413	1.9
467.17758	0.9
470.11566	1.0
473.18304	0.8
483.12604	1.3
484.13458	5.8
485.13748	1.3
485.19135	1.1
486.19113	0.8
487.20242	1.0
497.14743	2.4
498.14874	3.1
499.16083	3.1
511.16315	2.6
512.16919	5.8
513.17590	9.3
514.18481	3.4
515.18781	0.7
516.20294	0.7
523.15662	3.5
525.17493	3.0
526.18390	1.2
527.19092	2.6
529.20221	1.2
531.18158	0.7
544.19928	1.5
545.24359	1.4
555.19324	0.7
571.19055	0.8
573.23621	2.1
585.19611	0.6
599.20422	1.3
600.22198	3.3
601.22876	8.5
617.22510	1.0
632.24451	0.9
660.23932	1.2
676.23773	1.1
691.26050	100.0
692.26379	8.5
722.65509	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.3
55.05509	32.2
57.03421	14.9
65.03944	5.0
67.05492	80.7
69.03414	22.4
69.07059	23.7
69.37415	40.3
71.04996	12.1
79.05484	54.8
81.03411	32.7
81.07043	100.0
83.04977	29.0
83.08629	12.2
85.02895	7.3
91.05463	44.5
93.07035	58.0
95.04966	10.2
95.08603	46.9
97.02885	13.2
97.06529	6.3
97.10146	5.8
97.23583	4.3
99.04428	7.3
102.89591	4.5
105.07008	27.8
107.04935	4.4
107.08598	27.8
109.10141	19.5
111.04443	5.2
111.08040	5.1
117.06998	12.0
119.08569	18.8
120.52489	5.3
121.06467	5.4
121.10126	25.6
123.11678	12.0
123.59656	4.4
127.03882	9.2
129.05464	6.8
129.06976	12.8
131.08548	21.5
133.10135	19.7
135.08092	5.0
135.11681	15.9
143.08537	7.6
145.10120	16.7
147.11699	12.5
149.13249	12.7
155.08658	5.1
157.10089	5.7
159.11690	15.0
161.13319	7.5
173.13257	6.6
177.12755	5.8
195.13785	8.7
251.22006	4.6
261.22165	6.1
267.15829	6.3
269.17520	19.4
303.23001	4.1
335.25754	41.9
362.77957	4.5
519.36450	10.7
529.38794	72.1
673.42993	12.8
683.36487	5.3
691.43408	14.3
706.89398	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	692.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
67.05482	1.0
70.83498	0.5
70.83839	0.7
74.84962	0.3
79.05458	0.8
81.07030	1.1
82.99380	0.3
84.04487	0.5
85.02866	0.4
91.05477	3.7
93.07029	1.0
95.04925	0.5
95.08592	0.7
102.04633	0.5
103.05457	2.1
105.07022	0.6
107.04941	1.0
107.08624	0.6
109.06470	0.7
109.10126	0.7
115.05463	2.5
116.06233	0.9
117.07015	5.2
119.04908	0.8
119.08581	0.4
121.06496	11.3
128.82089	0.4
130.04092	0.5
131.04910	4.8
132.05714	0.7
133.06494	1.3
134.07285	1.0
135.07925	0.4
137.05988	0.7
138.09903	0.4
145.03358	0.4
145.06461	3.0
146.07253	32.5
147.04370	1.0
147.08044	4.0
148.05180	0.4
149.06003	0.9
149.09633	1.8
151.07550	0.7
155.06071	0.3
161.05974	0.7
162.06749	5.1
163.07323	0.5
165.09085	0.8
177.09094	100.0
178.09454	2.6
179.10605	0.4
181.08575	0.5
184.07367	1.5
225.96736	0.4
298.14877	0.4
344.82422	0.4
692.40631	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	692.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38274	0.6
53.03940	3.1
55.05235	0.9
55.05503	18.0
57.03429	16.7
57.07067	0.6
58.38904	0.6
59.04985	1.1
61.02919	4.3
65.03931	1.7
67.05494	26.0
68.05827	0.9
69.03424	5.5
69.07056	8.6
69.90433	2.9
71.04990	6.0
73.02919	1.7
79.05003	1.0
79.05483	28.2
81.03408	81.6
81.07043	31.2
82.07335	0.7
83.04972	19.1
83.08607	29.2
85.02895	37.0
85.06517	3.0
87.90321	0.5
89.47771	0.6
91.03960	1.4
91.05466	40.1
92.05795	0.7
93.07031	21.2
95.04955	32.6
95.08049	1.1
95.08600	12.5
97.02879	5.5
97.06503	4.1
97.10157	5.1
98.20783	0.7
99.04440	1.2
99.08076	1.6
105.07019	28.1
106.07340	0.8
107.04954	8.4
107.08574	9.2
109.06516	5.4
109.10111	3.2
111.04439	2.6
111.08057	13.2
113.06002	3.4
115.05455	2.2
116.06214	0.6
117.06992	2.2
119.04919	0.8
119.08560	24.6
121.06510	3.1
121.10127	12.1
123.04422	0.7
123.08031	4.4
123.11688	2.6
125.06030	0.9
125.09599	2.1
127.07585	1.4
128.06265	1.1
129.06982	13.7
131.08551	16.4
133.06459	4.1
133.10104	15.7
135.07996	0.8
135.11731	0.7
137.05962	0.6
137.09621	1.9
141.47609	0.6
142.07782	3.0
145.10109	2.4
147.08026	3.8
147.11662	21.0
149.09605	7.9
151.07527	0.8
155.08539	1.1
157.10109	20.3
163.11154	1.6
165.12724	3.4
175.09592	0.7
175.11160	21.1
193.12222	61.5
194.12610	1.6
211.13261	100.0
212.13617	2.2
249.14792	1.7
258.54681	0.5
267.15881	38.2
268.16025	0.9
285.16922	86.7
286.17288	2.1
349.21445	1.0
367.22720	3.5
385.23798	4.4
403.24460	1.2
433.25699	1.6
441.26395	1.2
459.27377	21.9
477.28418	25.9
478.28250	1.0
495.29486	66.7
496.29697	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	692.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31588	0.9
53.03931	3.3
55.01857	3.5
55.05507	18.3
55.38103	0.7
57.03434	17.6
57.07076	1.1
61.02920	4.3
61.42107	0.8
65.03919	2.5
67.05499	29.1
69.03426	5.6
69.07068	10.2
69.65781	2.1
69.66199	3.9
71.04990	6.4
73.02891	1.4
79.05486	31.4
81.03413	95.0
81.07050	36.0
82.03748	1.3
83.04974	21.4
83.08611	37.6
85.02901	35.5
85.03294	0.5
85.06512	2.2
85.07633	0.9
87.04467	1.3
91.03952	1.1
91.05473	40.2
93.07038	21.2
95.04967	37.7
95.08604	15.3
96.41558	1.0
97.02876	7.2
97.06535	5.5
97.10162	7.0
99.04464	1.0
99.08073	1.6
103.05406	1.0
105.07024	28.0
107.04959	9.7
107.08590	13.5
109.06481	5.6
109.10162	4.7
111.04425	4.0
111.08077	14.0
113.05984	3.3
115.05434	2.1
117.07011	3.4
119.04910	1.3
119.08575	26.2
120.08826	0.8
121.06485	2.8
121.10139	12.4
123.04434	1.2
123.08063	3.4
123.11699	3.1
125.09601	2.6
127.03876	2.2
128.06212	1.1
129.05438	1.2
129.06999	15.5
131.04877	0.9
131.08562	15.2
133.06464	4.9
133.10118	16.4
135.08035	1.3
135.11659	1.4
137.05991	1.9
137.09610	1.7
142.07774	4.1
145.10115	2.9
147.08017	4.4
147.11687	23.0
149.09625	9.3
151.11128	2.2
156.36850	0.9
157.10118	21.9
163.03900	0.9
163.11218	2.5
165.12782	5.8
175.11177	24.3
184.07393	1.6
191.34723	0.8
193.12234	63.1
194.12569	1.4
211.13269	87.2
212.13551	2.3
249.14897	1.0
252.82565	0.8
267.15894	39.6
268.16144	0.9
285.16943	75.1
286.17264	2.7
302.41611	0.8
367.22647	2.0
385.23566	3.7
441.26147	1.0
459.27390	28.5
460.27444	1.0
477.28464	34.1
478.28415	1.1
495.29517	100.0
496.29767	4.2
690.57208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28783	1.1
53.03931	5.3
55.01860	6.8
55.05503	34.1
57.03421	19.6
57.07072	3.0
59.04990	3.3
59.24532	1.1
61.02918	8.1
65.03920	3.4
67.05495	100.0
69.03413	4.0
69.07059	16.8
69.28249	9.0
71.01334	1.3
71.04982	8.3
71.60622	1.4
73.02913	6.2
77.03912	1.5
78.04693	1.1
79.05003	1.6
79.05481	40.5
81.03400	14.2
81.07047	76.0
82.98311	1.0
83.01333	2.1
83.04967	10.2
83.08608	22.4
85.02895	15.2
85.06522	3.7
87.04456	5.2
91.03944	4.4
91.05466	30.7
93.07033	41.0
95.04966	9.5
95.08597	20.7
97.02881	9.2
97.06525	10.2
97.10156	15.5
99.08079	2.7
103.03930	2.0
103.05458	1.8
105.07014	17.0
107.04962	7.6
107.08582	29.8
108.05727	3.6
109.02893	1.5
109.06506	4.3
109.10146	51.2
111.04427	3.1
111.08097	7.1
116.04659	1.6
117.07011	8.4
119.08570	11.5
121.06483	4.0
121.10133	10.6
122.07201	1.1
123.08037	2.4
123.11689	4.1
124.05209	4.7
125.05991	2.0
125.09621	14.6
127.03846	1.7
129.05464	4.6
129.07028	2.2
131.08548	8.2
133.06503	2.1
133.10109	11.1
135.04431	1.9
135.08049	5.0
135.11676	10.2
137.05959	2.7
137.09598	4.3
139.07516	21.9
143.10658	3.2
145.04996	1.4
145.10100	4.8
146.07269	1.6
147.04366	1.2
147.08063	1.4
147.11652	4.4
149.05893	1.8
149.09564	2.0
149.13248	12.3
150.06720	5.7
151.07512	32.1
151.11137	1.5
153.12749	3.9
155.10652	2.5
157.10123	1.8
159.11656	8.9
162.06749	5.8
163.07532	6.5
163.11156	10.1
165.05472	2.2
165.09099	22.9
165.12715	2.6
167.07004	17.8
173.09601	1.8
173.11719	16.4
177.12750	4.5
181.12225	3.1
185.11647	1.4
185.69725	1.2
189.11151	1.6
191.10649	3.6
193.08578	18.0
193.12238	4.4
194.09148	1.7
195.10210	1.7
195.13779	14.7
199.13261	8.4
209.11719	9.0
211.13268	4.3
213.14888	3.1
217.14351	1.7
227.12679	8.9
229.14307	52.4
239.16444	4.3
245.13556	1.6
267.16022	8.0
269.17447	59.5
283.15268	6.3
301.16461	17.4
357.24432	1.4
393.26297	2.7
411.27356	4.6
423.27371	31.8
424.27295	1.5
431.28040	1.8
477.28262	3.8
495.29443	60.2
513.30560	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01860	3.9
55.05505	16.8
57.03431	14.7
59.04987	4.4
61.02925	5.1
65.03931	3.4
67.05497	100.0
68.05830	0.9
69.03420	7.4
69.07062	11.8
71.04179	2.5
71.04588	1.5
71.04985	28.3
73.02891	1.1
79.05486	35.9
81.03410	52.1
81.07046	44.2
83.04977	16.8
83.08614	22.7
85.02900	23.5
85.03378	2.1
85.06529	4.9
86.09698	8.2
91.05470	41.5
93.07034	38.2
95.04958	24.3
95.05556	1.6
95.08599	21.5
97.02866	4.4
97.06519	8.5
97.10166	3.7
99.04453	1.5
99.08064	2.1
101.09883	0.9
101.94881	1.1
105.06317	1.2
105.07018	24.3
107.04934	7.7
107.08585	17.2
109.02918	1.4
109.06482	6.2
109.10144	65.3
110.10485	1.5
111.04476	2.9
111.08060	10.0
113.05994	1.7
115.05424	2.8
116.58646	1.1
117.06994	4.3
119.04932	3.6
119.08575	28.1
121.06485	2.3
121.10135	12.3
123.04440	1.6
123.08053	3.5
123.11690	3.0
124.99995	3.3
125.09643	3.1
127.03903	1.8
129.06967	10.3
131.08556	13.7
133.06526	2.7
133.10118	14.8
135.07968	2.1
135.11665	15.4
137.05992	1.9
137.09612	11.4
142.07759	3.3
145.02853	2.5
145.10117	7.4
147.04411	3.8
147.08012	2.9
147.11678	16.0
149.09630	5.4
151.11125	1.8
155.10657	2.9
157.10100	12.8
159.11708	1.7
163.11180	4.8
165.12706	2.9
169.12210	2.7
173.11708	8.2
175.03896	2.9
175.11154	10.6
177.05479	4.0
181.12201	4.0
184.07312	23.4
187.13348	1.3
193.10448	1.3
193.12219	28.4
207.06516	4.1
211.13268	36.9
212.13304	1.3
229.14290	4.5
239.16399	1.9
243.15964	2.8
249.14728	1.8
255.15892	14.4
267.15884	20.5
269.17413	4.1
285.16901	21.1
287.18481	20.7
403.24765	2.5
421.25845	33.6
422.26364	1.8
435.27594	1.3
439.26855	73.3
440.27377	3.0
447.27347	37.0
448.27420	1.4
453.28461	11.7
461.29172	5.9
465.28424	51.9
466.29132	2.3
479.29962	8.7
497.31036	45.7
498.31375	1.5
641.35474	1.5
644.35431	1.9
694.37689	1.9
695.17987	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
55.03000	0.9
55.05507	16.1
57.03432	7.6
57.07065	10.7
61.02920	24.3
65.03930	2.1
67.05495	67.0
69.03413	4.2
69.07060	26.7
70.79288	2.6
71.04998	1.7
71.08629	6.0
73.02915	11.3
75.04472	1.4
79.05484	18.9
81.03411	2.3
81.07047	82.8
82.07392	1.0
83.04968	1.3
83.08146	1.3
83.08610	19.8
85.02896	30.1
85.06521	2.1
85.10174	2.5
88.94245	0.7
91.03408	1.6
91.03947	24.0
91.05470	16.0
93.07035	22.5
95.04942	1.7
95.08598	72.0
97.02876	13.5
97.06523	6.9
97.10153	12.4
99.04433	2.2
99.08094	3.6
103.21362	0.9
105.07024	10.0
107.08580	16.1
109.02851	0.8
109.06548	0.8
109.10143	35.0
110.10490	1.0
111.08060	3.9
111.11730	5.0
113.09637	2.4
115.03909	1.6
119.08569	13.2
121.10133	21.8
123.08052	1.3
123.11692	18.0
124.16865	0.9
125.09604	2.4
125.13268	1.0
127.03902	9.0
127.11164	2.3
133.10120	14.7
135.11687	12.5
137.09576	1.6
137.13249	7.7
139.11162	2.6
139.14697	0.8
141.12733	3.7
145.04941	12.0
147.11659	9.2
149.13242	10.1
151.07550	1.2
151.11214	1.5
151.14784	7.5
152.01555	0.8
153.12729	1.0
155.14305	3.4
161.13239	15.3
163.06000	20.6
163.14787	10.5
165.12743	2.1
165.16368	9.6
167.14371	1.2
175.14803	11.5
177.16367	2.5
179.14311	1.7
179.17912	6.7
181.15871	1.7
189.16368	4.9
203.17894	2.3
207.17360	1.1
217.19499	1.3
221.38867	1.0
234.04263	0.8
245.22617	65.7
246.22937	2.2
263.23672	100.0
264.24042	3.4
265.25189	1.9
281.24792	2.6
337.27325	74.6
338.27695	2.7
355.28360	14.8
499.32532	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	696.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.05505	12.4
57.03434	6.3
57.07071	7.4
61.02922	23.6
67.05501	64.3
69.03418	3.2
69.07058	20.1
71.04970	2.3
71.08611	5.3
71.52369	2.4
73.02917	9.3
75.04453	1.9
79.05479	16.0
79.23161	1.3
81.03427	1.4
81.07050	73.2
83.04970	2.2
83.08610	16.6
85.02902	31.2
85.06516	3.0
85.10179	2.0
91.03949	25.5
91.05476	13.6
91.09428	1.2
93.07036	20.2
95.04940	1.6
95.08601	62.9
97.02887	12.3
97.06496	6.3
97.10168	13.2
99.04440	2.4
99.08093	4.4
105.07033	8.4
107.08586	16.3
109.02849	1.6
109.10151	37.5
111.08063	3.8
111.11727	3.0
113.09685	1.7
116.47110	1.3
119.08572	10.8
121.10128	20.1
123.08056	2.0
123.11695	20.3
125.09627	2.2
125.13204	1.4
127.03915	10.4
127.11148	2.1
131.08604	1.6
133.10121	14.8
134.84598	1.5
135.11671	10.8
137.09645	1.5
137.13260	7.6
139.11143	1.4
141.12730	3.7
145.04948	16.7
146.31584	1.4
147.11694	8.2
149.13222	11.7
151.07558	2.5
151.14810	5.0
151.71632	1.3
155.14278	2.0
161.13214	14.9
163.05995	22.6
163.14803	8.7
165.09151	3.2
165.12766	2.3
165.16382	9.9
167.14297	1.5
169.15820	1.6
175.14835	11.2
177.16331	2.9
179.14276	1.5
179.17947	7.0
189.16408	3.6
203.17934	1.7
207.17267	1.3
215.10739	1.3
245.22638	68.9
263.23694	100.0
264.23969	3.9
265.25330	2.0
279.15781	1.6
279.19186	1.6
281.24634	3.5
337.27344	47.4
355.28229	5.7
499.32440	1.6
718.19788	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09122	0.3
53.03939	0.7
55.01857	0.4
55.05500	1.4
57.03437	2.2
61.02921	3.6
67.05501	1.9
69.03426	3.2
70.83513	0.5
70.83828	0.6
71.04984	0.6
73.02911	2.8
79.05487	2.6
81.03410	5.2
81.07047	2.6
83.04985	0.8
83.08601	1.4
85.02895	6.6
91.03944	2.9
91.05466	3.3
93.07036	1.2
95.04952	2.4
95.08599	1.1
97.02878	4.0
97.06543	0.6
97.10189	0.3
99.04458	1.0
101.02371	1.8
105.07008	1.9
107.04956	1.3
107.08565	1.0
109.02881	0.7
109.06515	0.6
111.08092	0.9
119.08597	2.3
121.06559	0.4
121.10139	0.9
123.04482	0.3
123.08072	0.5
127.03918	1.4
129.06998	0.8
131.08562	1.2
133.10126	1.7
137.05974	1.0
145.02924	0.5
147.04440	0.5
147.08034	0.6
147.11652	1.9
149.09618	0.6
151.07620	0.3
157.10121	1.3
165.12761	0.3
175.11160	1.0
177.05496	1.4
185.04219	0.4
187.11224	0.4
188.61369	0.3
193.12180	1.9
195.50430	0.3
207.06525	0.5
211.13345	0.9
243.08392	2.3
251.12578	1.3
307.15170	0.9
469.20428	13.2
470.20859	0.3
535.29974	0.4
687.90552	0.4
697.33960	100.0
698.34155	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	698.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05267	2.0
55.05510	24.3
57.03424	6.0
57.07076	10.8
61.02647	1.7
61.02920	20.7
65.03938	1.3
67.05499	33.3
69.03410	1.8
69.07063	39.6
69.82980	6.3
71.04969	2.5
71.08627	10.4
73.02913	9.2
75.04465	1.4
79.05492	11.1
81.03388	1.2
81.07047	42.3
83.08153	2.1
83.08614	34.9
85.02431	2.0
85.02899	25.1
85.10181	7.3
91.03949	23.0
91.05450	4.0
93.07038	23.4
94.82678	1.4
95.08600	43.8
97.02876	12.6
97.06512	9.0
97.10162	22.9
97.57239	1.1
98.20918	1.5
98.37413	1.2
99.04413	2.5
99.08058	1.6
107.08594	13.9
109.02833	1.9
109.10138	20.6
111.08062	5.0
111.11692	9.0
113.09577	1.5
115.03889	1.7
116.26383	1.2
118.28758	1.3
119.04939	1.2
121.06443	1.7
121.10129	35.1
123.11708	8.5
125.09616	3.7
127.03913	10.5
135.08078	1.9
135.11674	28.0
137.05952	3.8
137.13231	2.9
139.11107	3.4
145.04959	13.7
147.04384	1.3
149.13252	12.4
151.07521	6.3
151.14796	4.9
153.12679	1.7
163.06032	18.7
163.07480	2.4
163.14751	5.4
165.09074	4.1
165.16379	5.3
167.14406	1.8
177.16342	4.2
191.10643	1.6
191.17934	2.9
203.10699	4.1
205.19434	1.8
227.20123	1.8
236.86293	1.3
247.24182	36.8
265.25232	100.0
266.25595	3.6
283.10086	1.2
283.26242	18.3
339.28906	99.1
340.29178	3.0
357.25485	2.8
357.29941	48.2
358.30283	2.3
501.33972	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	700.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07861	0.5
55.01855	0.7
56.40041	0.4
61.02930	0.9
67.53104	0.5
69.03418	2.0
69.71519	1.9
69.71935	1.1
75.75867	0.5
79.05495	0.7
81.03410	1.9
85.02895	7.6
91.05468	1.0
93.03416	0.5
94.04203	1.1
97.02891	2.5
98.20693	0.4
103.05447	1.2
107.04920	0.6
109.02890	1.0
109.06498	1.1
111.04437	1.1
115.05442	5.5
117.07030	1.8
119.04951	0.5
122.03639	2.5
123.04417	0.7
125.05998	1.2
127.03911	1.7
128.06213	0.9
128.58882	0.5
129.06978	4.5
131.04922	2.2
137.05963	73.2
138.06293	1.1
139.03914	0.6
143.04913	10.3
144.05679	1.1
145.04926	1.9
145.06465	1.7
146.03664	0.6
147.04425	0.6
147.08049	0.7
151.03886	0.6
151.07561	0.6
153.05423	2.1
157.06454	4.9
160.05186	15.0
161.06036	2.6
162.07649	0.6
163.07500	1.9
169.09892	0.5
172.05188	2.0
173.05965	0.9
174.06735	1.8
175.07526	100.0
176.07867	1.6
177.05383	0.9
177.09087	0.6
180.08635	1.1
185.06090	0.5
187.07521	33.2
188.07913	1.2
189.09064	7.0
193.08621	0.9
203.08569	1.8
205.08580	23.3
206.08942	0.6
211.07466	1.6
217.08514	3.4
219.07983	1.3
221.09499	0.6
226.74110	0.5
231.08003	1.9
235.09631	29.8
239.06903	1.3
240.07776	0.5
247.07570	1.0
248.08217	1.9
251.10594	0.6
255.06479	1.2
256.07272	0.6
259.07523	0.7
263.10645	1.8
270.08810	1.7
271.09573	3.6
276.07831	1.1
279.10016	1.4
280.10699	0.6
283.09677	0.5
291.10126	5.9
292.10840	0.5
296.10107	0.9
308.10391	0.6
311.12720	2.2
323.12680	6.0
341.13800	10.2
342.14127	0.7
413.38510	0.5
435.99628	0.5
574.04211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.05493	1.1
57.06823	0.5
57.07070	6.7
57.62704	0.4
57.67025	0.4
58.06605	2.7
65.03933	4.0
67.05500	0.9
69.03407	0.9
69.07043	0.5
69.81691	1.1
69.82099	1.9
70.06586	19.3
71.08625	3.2
72.08136	1.1
74.06075	0.7
74.09709	3.0
78.86710	0.5
79.05466	0.5
81.03399	0.8
81.07060	0.7
84.08141	0.8
85.10177	0.9
86.09715	0.8
88.07625	16.1
91.05489	0.6
93.07033	1.0
95.04985	0.8
95.08588	0.5
97.02902	0.6
98.21387	0.6
102.09170	13.7
103.05457	0.6
105.07029	0.8
107.08559	0.7
118.95610	0.4
119.32853	0.5
121.02865	1.8
121.10124	0.5
132.10202	2.4
136.78485	0.5
139.03880	2.0
146.11748	2.1
147.04442	1.1
149.02333	60.6
149.03406	4.1
150.02643	0.6
151.07518	1.0
163.07477	0.6
165.05457	0.9
165.09117	1.3
175.03952	2.1
177.05452	0.6
179.10689	0.6
181.06421	0.5
193.04945	30.6
211.13927	0.5
212.23717	0.9
219.06519	0.9
225.05424	0.7
237.07562	3.8
244.28300	0.6
254.17453	1.1
256.26331	48.8
257.26672	0.9
263.09161	0.8
269.04504	1.0
297.04086	1.3
300.28906	8.1
300.32074	0.7
313.07043	0.7
320.25815	0.8
341.06461	4.5
352.16846	0.5
359.07568	2.8
385.09103	10.6
403.10239	11.7
429.11765	20.7
473.14429	13.3
508.51361	0.5
532.18939	0.5
545.68781	0.4
622.68372	0.5
633.52057	0.5
640.34576	1.0
684.37482	1.2
702.38263	100.0
703.38647	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	702.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.5
56.15708	0.2
56.50774	0.2
58.06602	0.4
59.07116	0.2
59.07394	0.2
60.08157	5.9
67.05463	0.2
69.32502	2.0
71.07365	3.1
71.08649	0.2
81.07037	0.3
86.09696	29.0
87.10046	0.4
89.06038	0.3
95.08603	0.4
98.98456	3.6
104.10732	3.0
124.99992	21.1
133.08589	0.4
143.13182	0.2
143.96971	0.2
184.07320	100.0
185.07732	0.9
195.14006	0.2
306.54166	0.2
320.29001	0.2
391.96396	0.2
496.34042	0.2
505.38632	0.3
586.79407	0.2
639.48199	0.3
702.33142	0.4
702.47125	7.6
703.47174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98890	2.3
51.02373	2.3
53.03944	12.2
53.71252	1.8
55.01875	10.8
55.05510	40.2
57.03440	12.6
59.05011	2.1
61.02908	1.8
65.03944	4.7
66.24483	1.8
67.05500	66.8
68.89870	2.1
69.03427	26.1
69.07063	27.3
69.17819	21.9
71.01357	2.3
71.04988	10.1
77.03910	2.1
79.05488	64.3
81.03413	100.0
81.07053	67.7
83.04982	19.9
83.08613	26.4
84.05277	2.1
85.02895	21.2
85.06535	4.5
91.05471	65.0
91.06019	4.2
92.94981	1.8
93.07030	56.0
95.04967	32.1
95.08594	38.4
97.02885	22.6
97.06519	12.4
97.10163	12.6
98.87577	1.9
99.04460	7.9
99.08075	3.1
103.05490	3.0
105.04504	2.5
105.07023	60.6
107.04950	20.2
107.08584	40.5
107.72347	1.9
109.02859	17.8
109.06535	13.3
109.10145	20.0
111.04436	12.2
111.08074	7.4
115.05471	6.1
117.06998	22.8
119.04958	2.5
119.08575	41.3
119.09364	3.3
121.06508	8.8
121.10140	21.7
123.04424	2.3
123.08072	6.0
123.11709	7.4
124.92171	1.7
125.09628	9.5
127.03889	12.1
128.06218	6.5
129.07005	20.8
131.04916	3.1
131.08557	32.4
133.06480	7.7
133.10126	28.0
135.04428	2.3
135.08049	9.2
135.11714	8.9
137.06006	3.3
137.09628	4.8
141.06995	6.9
142.07761	4.8
143.08565	13.1
145.06458	5.5
145.10110	30.1
146.03439	2.0
147.08041	5.6
147.11685	26.8
149.09592	14.9
149.13248	2.6
151.07486	4.7
151.11232	2.6
153.09123	2.7
153.12711	2.6
155.08563	8.1
156.09325	2.1
157.10100	18.0
159.08044	6.0
159.11707	14.8
161.09630	2.5
161.13277	3.9
163.07559	2.4
163.11147	14.8
165.05501	2.7
165.09164	5.7
165.12811	5.4
166.07837	2.4
169.10144	9.3
171.08055	3.9
171.11658	9.7
173.04413	10.1
173.09615	7.5
173.13304	7.3
175.07481	2.4
175.11195	12.8
177.09006	2.4
177.12715	3.2
179.08652	3.5
179.14281	4.8
181.10130	5.0
181.12239	3.3
182.10794	2.2
183.07999	2.6
183.11717	7.9
185.09639	2.3
185.13275	7.1
187.11174	4.1
189.11246	4.1
191.10724	3.2
193.10367	3.1
193.12216	25.8
195.11786	5.4
197.09587	2.6
197.13313	5.3
199.11150	2.4
199.14911	2.7
201.12767	4.1
205.12346	3.2
207.11708	3.7
209.13347	3.8
211.11322	5.0
211.13232	34.0
211.14993	3.5
213.12794	2.4
213.16357	2.2
219.13950	2.3
221.13303	2.1
223.13405	2.2
227.12837	7.7
229.14351	2.0
229.19670	5.4
239.18021	6.3
247.20465	2.5
257.18958	13.5
267.15842	12.9
273.14969	2.5
273.18488	3.7
275.20041	51.4
276.20578	2.1
283.20651	2.8
285.17038	8.7
293.21249	3.4
299.20200	2.8
301.14377	2.4
311.20096	2.7
313.21814	3.2
318.97394	2.1
319.15463	4.1
319.20547	2.4
325.21634	2.4
331.22757	3.9
337.21341	2.2
349.23682	9.8
355.17532	6.3
355.22958	2.2
365.21100	2.9
383.22186	4.2
393.18848	2.5
395.20313	2.5
401.23190	2.4
411.20374	3.4
419.24377	3.7
421.31146	2.6
426.06052	2.2
449.30219	4.4
467.31738	3.6
475.26892	2.9
493.28290	2.2
523.34131	5.6
537.48865	2.3
541.35193	28.1
559.36121	11.4
667.38202	3.4
685.39246	11.0
693.67218	2.5
703.40350	72.5
704.40765	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	703.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	17.4
55.01865	15.6
55.05510	34.8
57.03429	14.3
61.02896	4.2
65.03922	3.2
67.05495	70.8
69.03425	28.7
69.07063	36.8
69.97813	14.0
70.06580	3.7
71.04980	11.1
73.02911	3.0
73.31092	2.3
79.05488	64.9
81.03416	92.7
81.07047	72.3
83.04980	27.1
83.08611	24.2
85.02891	19.3
85.06545	4.0
88.07612	6.0
91.05473	76.4
93.07034	55.2
95.01328	7.5
95.04958	32.7
95.08595	43.6
97.02888	19.8
97.06513	22.2
97.10148	15.3
98.20745	3.7
99.04449	8.1
102.09182	5.6
103.05450	3.3
105.07019	69.1
107.04959	21.9
107.08569	37.2
109.02872	20.6
109.06507	12.6
109.10123	19.2
111.04422	14.4
111.08070	7.6
111.83866	3.0
115.05452	5.7
117.06991	25.7
119.08568	45.7
119.12346	2.2
121.02898	2.7
121.06501	6.9
121.10123	15.8
123.04437	6.2
123.08059	8.1
123.11698	2.7
124.94946	2.5
125.09620	9.6
127.03927	12.1
128.06227	8.7
129.06996	23.1
131.04913	4.3
131.08560	37.6
133.06506	8.3
133.10121	37.3
135.08067	11.8
135.11696	11.7
137.09596	5.3
141.07013	6.5
142.07765	4.9
143.08571	10.0
145.06476	5.1
145.10118	24.3
147.08017	5.1
147.11670	29.6
149.02321	14.3
149.09608	13.8
149.13239	5.0
151.07556	6.8
153.12677	3.5
155.08545	7.2
157.10110	24.3
159.08043	4.5
159.11665	11.7
161.09641	4.1
161.13147	3.0
163.07549	4.0
163.11180	15.9
165.05518	3.9
165.09128	9.6
165.12718	3.1
169.10118	6.3
171.08096	2.5
171.11684	10.3
173.04495	8.9
173.09671	4.3
173.13269	8.3
175.11176	9.5
177.12785	5.4
179.14314	10.8
181.10097	4.7
183.11687	7.0
185.13289	5.2
187.11189	3.0
189.11252	5.6
191.10709	3.1
193.05042	8.7
193.12216	22.4
195.11827	3.8
197.13297	4.5
207.11690	3.9
209.13387	4.2
211.11282	5.4
211.13173	28.3
211.14853	3.0
213.12903	3.1
225.16388	4.1
227.12790	8.1
229.14099	3.3
229.19461	3.8
233.15411	3.4
239.17973	3.9
247.20552	3.9
249.14880	3.4
256.26413	8.2
257.19052	10.5
257.26627	5.7
263.23346	2.9
263.26810	2.5
267.16010	8.3
275.20035	73.4
285.17096	2.9
293.21191	3.8
301.14392	4.0
313.21716	3.1
332.87921	2.9
337.16492	3.7
343.06146	2.7
349.23874	10.6
355.17502	4.4
411.20242	6.6
429.11859	3.6
449.30664	3.1
461.29181	3.7
523.34161	3.1
541.35095	34.4
559.36151	11.1
649.37280	4.5
667.38367	7.1
685.39563	12.7
703.39923	100.0
704.39874	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	703.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35752	2.9
53.03935	16.0
55.01860	8.0
55.05505	26.5
56.87368	2.9
57.03440	18.2
62.02624	3.1
65.03930	3.9
65.34457	3.2
67.05496	100.0
69.03420	39.0
69.07066	27.0
71.04965	9.7
75.19093	2.8
77.03970	3.4
79.05485	90.5
81.03410	58.4
81.06586	6.1
81.07046	91.6
83.04956	21.7
83.08603	13.7
85.02906	20.5
85.06545	4.5
91.05471	82.2
93.07034	89.0
95.04953	30.8
95.08598	60.3
97.02883	14.1
97.06540	8.2
97.10144	6.0
99.04446	9.1
103.05412	4.3
105.07021	58.3
107.04932	13.4
107.08579	35.6
109.02847	7.1
109.06522	7.9
109.10143	24.2
111.08052	4.7
115.05434	7.8
117.07001	28.2
117.97202	3.6
119.08567	36.9
121.06472	5.6
121.10133	26.8
123.08082	6.3
123.11694	5.6
127.03870	9.4
128.06166	4.4
129.05478	6.4
129.06992	26.1
129.50571	3.4
131.08525	28.0
133.06479	7.4
133.10112	18.5
135.11687	16.1
141.07021	4.1
143.08545	15.6
145.06462	6.8
145.10081	20.2
147.08051	6.2
147.11641	28.5
149.13249	4.7
151.07487	3.3
155.08502	4.1
157.06456	4.3
157.10106	7.3
159.08041	7.4
159.11710	12.0
161.09598	5.9
161.13240	17.2
167.08519	4.9
171.11636	12.7
173.04491	7.0
173.13281	7.5
175.14856	4.1
181.10068	4.1
184.07347	9.6
185.13185	6.1
189.12744	8.0
207.13750	14.6
221.15469	3.5
223.14890	5.3
241.15840	6.2
243.21156	6.0
259.16953	4.7
261.22144	10.8
269.15430	4.5
281.17401	21.1
287.16330	17.6
305.17569	4.9
335.22052	6.7
335.25766	97.9
354.05273	3.8
361.19775	5.0
425.21622	7.1
437.96350	3.5
454.37732	3.9
541.38879	52.6
555.40674	5.4
621.41150	6.0
685.43048	6.8
703.44257	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	705.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.7
53.03933	1.0
55.01865	2.5
55.03559	0.3
55.05503	0.5
57.03428	0.4
57.46152	0.3
65.03931	2.6
67.05494	2.1
68.99787	0.7
69.03423	1.7
69.07050	0.4
71.52391	0.5
77.03911	0.6
79.01814	0.4
79.05493	6.0
81.03393	1.6
81.07069	1.7
81.07442	0.4
82.04178	0.7
83.04981	0.7
85.02900	2.3
91.05469	2.5
93.03388	0.9
93.07020	1.0
95.04956	5.4
97.02898	0.8
97.06491	1.0
99.08033	0.3
103.05433	0.4
105.03365	1.4
105.04504	0.7
105.07001	2.4
106.04095	0.4
107.04947	11.6
107.08580	0.6
109.02856	1.5
109.10159	0.5
110.03642	1.0
111.03529	0.3
111.04427	2.2
111.08041	0.4
115.05439	0.8
117.07004	1.2
119.04918	4.9
119.08606	0.4
119.57892	0.3
120.93784	0.3
121.02882	0.9
121.06551	0.4
121.10108	0.4
123.04414	35.7
124.05198	1.5
125.02354	0.5
125.05984	2.5
125.09559	0.4
127.03873	2.1
131.04892	0.9
133.02762	0.5
133.06482	2.5
133.10141	0.4
135.04414	3.9
135.11592	0.5
137.02345	1.1
137.05959	2.3
138.03099	0.4
139.03889	13.8
140.04625	0.6
141.05415	0.5
141.06987	0.4
142.02625	0.7
143.04878	0.8
145.06444	2.2
147.04391	17.1
149.05972	0.5
151.03886	100.0
152.04361	1.2
153.05450	3.4
155.07051	0.8
155.08424	0.4
159.08002	0.4
161.05975	7.1
163.03886	5.2
165.05464	8.5
165.06844	0.4
167.07018	21.1
169.06436	0.5
171.06523	1.9
173.05960	4.7
175.03854	0.8
175.07553	0.7
177.05431	1.2
178.04622	0.4
179.03384	0.9
179.06970	1.9
179.08347	0.3
181.04935	41.2
182.05286	0.6
183.04425	0.4
183.06476	1.0
187.07513	0.9
187.59334	0.4
189.05487	2.0
191.03406	0.4
191.07069	0.4
193.04948	4.5
193.08603	5.5
197.06038	0.9
201.05424	3.8
205.08595	2.4
206.05702	0.5
207.06473	2.6
211.07439	0.8
215.07034	1.3
217.08614	1.8
221.05930	0.7
221.08055	10.6
225.05501	0.5
233.08035	3.6
239.06967	0.8
243.06464	1.3
249.07539	4.6
253.08633	0.4
257.08060	0.5
261.07501	1.1
267.06479	0.9
285.07590	3.1
286.08182	0.4
303.08603	66.7
304.08960	1.2
325.10580	0.4
327.12225	0.4
329.10080	0.6
372.12036	0.4
387.14365	16.4
403.13846	57.2
404.14011	1.1
415.13840	23.0
416.14005	0.4
705.36017	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.1
55.01870	6.1
55.05504	18.4
57.03431	8.4
57.07056	1.9
59.05002	0.8
61.02921	12.8
65.03918	3.2
67.05499	34.4
69.03419	13.5
69.07059	9.8
69.31070	2.4
69.31488	6.7
71.04969	3.9
71.08617	0.8
73.02909	6.7
77.03896	1.1
79.05486	29.7
79.44989	0.7
81.03410	29.5
81.06593	1.7
81.07049	28.7
83.04970	9.8
83.08601	12.4
85.02902	14.3
85.06528	1.7
87.04462	1.3
91.03963	5.9
91.05472	29.7
93.07035	26.9
95.04961	13.2
95.08593	19.7
97.02878	15.5
97.03446	1.7
97.06517	3.4
97.10158	8.0
99.04446	2.5
101.02338	2.4
103.05418	1.5
104.90088	0.9
105.07011	28.3
107.04939	5.6
107.08583	16.8
109.02847	5.5
109.06520	3.2
109.09462	1.3
109.10141	11.8
111.04436	5.2
111.08086	6.2
112.07616	6.9
115.05432	2.2
117.07005	15.2
119.08569	18.9
121.06498	4.4
121.10136	10.1
123.08057	2.6
123.11700	2.9
125.09641	5.5
127.03911	5.3
128.06187	2.9
129.05467	2.4
129.07002	14.0
131.04851	1.3
131.08556	20.5
133.06473	2.5
133.10127	16.3
135.07115	1.0
135.08054	3.9
135.11696	8.4
137.05989	1.4
137.09570	1.9
141.06955	3.9
142.07732	2.7
143.08553	11.8
145.06461	2.8
145.10106	13.0
147.08034	2.9
147.11668	10.7
149.02335	1.9
149.09598	3.6
149.13226	2.8
150.59834	1.0
151.07547	1.2
151.11142	1.6
153.06989	1.4
153.12723	2.6
155.08517	6.0
157.10114	11.5
159.08017	4.0
159.11678	12.1
161.09557	2.3
161.13237	6.1
163.11115	4.2
165.06927	1.6
165.12762	1.0
167.08554	2.8
168.09233	0.9
169.10095	6.0
171.08078	1.9
171.11662	9.7
173.04416	3.3
173.09618	3.5
173.11888	1.0
173.13240	5.0
175.11159	4.6
175.14806	3.4
178.07707	1.0
179.08578	2.0
181.10083	3.4
181.12216	3.1
183.08139	1.1
183.11644	5.6
183.22438	0.9
185.09639	2.1
185.13203	7.8
187.11182	2.5
187.14778	3.2
189.09235	1.4
189.11172	2.9
189.12744	1.1
191.10609	3.6
193.04880	1.0
193.10292	1.7
193.12219	10.2
195.08073	0.9
195.11644	3.7
197.09538	1.5
197.13222	5.1
199.11107	1.5
199.14824	3.9
201.12724	2.1
205.10095	0.9
207.11687	1.4
209.11484	1.2
209.13310	2.9
211.11241	1.3
211.13173	12.1
211.14844	1.4
213.12723	2.5
213.16289	2.0
215.14268	1.1
221.13295	1.2
223.14801	2.0
225.12846	1.8
227.12653	5.0
229.14215	2.1
231.20947	1.1
235.14767	1.4
237.12384	1.1
241.19431	6.2
243.21190	1.4
257.19049	1.8
259.20502	10.4
261.22250	2.0
267.15771	1.5
269.19254	1.0
271.20575	1.7
273.18472	1.1
275.20123	2.2
277.21744	1.0
283.15378	2.0
283.20432	2.1
285.16751	4.8
293.19058	1.2
295.20435	1.3
297.22180	2.5
299.20602	1.0
299.23654	5.0
301.21579	2.0
313.21683	1.1
315.23102	3.3
325.21487	1.2
333.24280	10.3
335.25821	2.9
339.23135	1.9
357.24057	2.5
367.22534	2.4
385.23810	1.6
403.24591	1.1
405.31863	1.1
415.29776	1.6
421.25797	2.6
429.21469	4.2
433.30963	4.9
435.27112	1.3
449.29721	0.9
451.32217	7.9
459.27414	1.7
469.33344	4.6
487.33121	1.3
507.34668	2.1
515.37183	2.1
525.35669	18.5
526.35822	1.1
541.35016	1.7
543.36743	100.0
544.36835	3.4
561.37537	1.4
567.36774	1.2
585.37299	2.4
595.35553	1.0
633.37769	1.3
651.38623	5.3
669.39844	5.5
687.40997	8.7
705.31110	1.5
705.42059	17.3
706.42334	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.03932	2.9
55.01861	3.9
55.05502	14.3
57.03201	0.5
57.03431	6.9
57.07054	0.7
57.61133	0.5
59.04978	1.5
61.02917	12.9
65.03930	1.5
67.05495	23.8
69.03090	0.8
69.03425	9.9
69.07057	7.9
71.01330	1.3
71.04984	2.8
71.52611	0.6
71.52982	0.6
73.02899	6.4
79.05480	19.8
80.59930	0.6
81.02919	1.1
81.03403	19.4
81.07043	23.0
83.04971	7.5
83.08604	9.1
85.02895	12.1
85.06513	1.6
87.04431	0.7
91.03948	5.6
91.05463	18.2
92.05727	0.6
93.07030	19.6
94.61628	0.5
95.04945	7.7
95.08587	13.6
95.78820	0.6
97.02882	11.9
97.06528	3.0
97.10152	8.2
99.04440	2.1
99.08060	0.9
99.75480	0.6
101.02362	1.5
105.07011	17.1
107.04941	3.3
107.05532	0.5
107.08575	10.7
109.02859	3.5
109.06520	2.9
109.10132	7.9
111.04452	3.8
111.08054	3.4
115.03896	0.6
115.05432	0.8
117.06225	0.7
117.07009	9.4
119.08561	15.7
120.08861	0.5
121.06454	3.3
121.10123	7.8
123.08041	1.8
123.11700	1.9
125.09609	5.8
127.03904	3.4
128.06204	2.1
129.05466	1.4
129.06979	9.7
130.07755	0.6
131.04860	0.5
131.08543	15.7
133.06477	2.0
133.10115	10.4
135.08026	2.5
135.11679	5.4
137.05940	0.6
137.09607	1.7
141.06947	3.0
142.07742	2.1
143.08546	9.4
144.09360	0.6
145.06477	3.6
145.10100	12.5
147.08037	2.2
147.11678	9.4
149.09578	2.7
149.13242	1.7
151.07536	1.1
151.11131	0.9
153.07008	1.0
153.09108	0.7
153.12762	1.4
154.07744	1.4
155.08536	4.0
156.09348	0.8
157.06459	1.3
157.10118	8.6
159.08061	3.2
159.11658	8.8
161.09615	2.3
161.13208	4.0
163.07489	0.6
163.11142	2.7
163.14813	1.2
165.09088	0.7
165.12723	1.0
166.07703	0.7
167.08553	2.6
168.09296	0.6
169.06357	0.6
169.10097	6.4
171.08054	2.0
171.11653	7.9
173.04478	1.5
173.09639	2.8
173.13214	5.6
175.11157	3.4
175.14806	1.9
177.12741	0.5
179.08553	1.5
181.10115	2.7
181.12117	1.3
183.08139	1.0
183.11682	4.8
184.07359	0.6
185.09596	1.8
185.13220	6.3
187.11172	1.6
187.13354	0.7
187.14824	2.4
189.09166	0.6
189.11163	2.3
189.12624	0.9
191.10649	1.8
191.14186	0.6
193.10294	1.1
193.12242	6.2
195.11678	3.3
197.09583	1.4
197.13231	4.2
199.11172	2.1
199.14729	3.3
201.12770	1.5
201.16385	0.9
205.10130	0.8
205.15697	0.6
207.11671	1.5
209.13274	2.5
211.11285	0.9
211.13274	6.6
211.14879	1.5
213.12704	1.4
213.16377	1.1
215.14427	1.0
219.11610	0.9
221.13263	1.2
223.11148	0.9
223.14809	1.4
223.82790	0.7
225.12694	0.8
225.16339	0.8
227.12596	3.0
229.14293	1.8
233.13316	0.8
235.14812	0.9
239.14154	0.9
239.17868	0.8
241.19513	2.8
243.15936	0.7
249.16481	0.7
253.15791	0.7
257.19031	1.1
259.20523	6.6
261.22150	1.0
265.19424	0.8
267.15771	1.1
269.15280	0.6
271.20724	1.0
273.18726	0.6
275.20078	0.8
281.18878	0.9
283.15320	1.3
283.20578	2.5
285.16727	2.7
285.21970	0.6
297.18631	0.9
297.22083	1.8
299.20105	1.3
299.23721	5.2
301.21616	2.0
309.22269	0.7
311.20181	0.8
313.21658	1.4
315.23224	1.6
321.21643	0.5
323.19968	0.8
323.23636	0.8
325.21555	1.5
329.20993	0.9
333.24338	4.3
335.25763	1.7
337.21454	0.8
339.23141	2.0
343.22629	1.4
349.21518	1.1
351.23297	1.0
353.20905	0.7
353.24792	0.6
357.24185	2.0
367.22437	1.1
385.23529	0.8
403.24625	0.6
415.30109	1.5
417.26474	0.8
421.25769	1.9
423.32452	1.2
429.21146	2.0
433.31015	3.8
434.66934	0.6
435.27365	1.3
451.32083	7.7
459.27188	0.7
469.33221	3.2
487.33798	0.9
507.34497	1.4
515.37177	1.6
525.35699	17.7
526.36084	1.1
541.34857	2.0
543.36713	100.0
544.37164	5.0
555.37164	0.7
557.38416	0.6
559.35980	0.7
561.37689	1.1
567.36908	0.9
585.37726	3.0
609.38220	0.7
627.38336	0.8
633.37500	1.1
651.38849	3.9
669.39648	3.4
687.40735	7.0
705.41931	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28806	1.3
53.03930	4.9
55.01856	3.0
55.05502	16.2
57.03436	8.1
57.07074	1.4
59.04992	1.8
61.02921	13.3
65.03908	1.6
67.05498	27.9
69.03422	10.9
69.07063	9.5
69.32900	1.0
69.90987	5.6
71.01318	1.3
71.04980	2.8
73.02913	6.3
77.47899	1.1
79.05486	20.9
81.03412	27.0
81.06577	1.8
81.07047	25.9
83.04988	8.0
83.08611	13.1
83.25767	1.2
85.02890	11.9
85.06527	1.8
87.57755	1.0
91.03939	3.8
91.05469	20.1
93.07038	19.3
95.04983	7.7
95.08607	14.2
97.02886	14.0
97.06535	3.3
97.10155	11.3
99.04449	3.2
104.66533	1.2
105.07027	18.3
107.04939	2.7
107.08571	12.9
109.02883	2.7
109.06498	4.0
109.10143	10.5
111.04443	4.3
111.08067	4.4
115.05424	1.9
115.79339	1.1
117.07021	9.5
117.77422	1.1
119.08572	15.5
121.06506	3.8
121.10125	7.5
123.04481	1.2
123.08066	2.3
123.11678	3.5
125.09643	6.9
127.03919	2.3
128.06224	2.7
129.05463	2.0
129.06990	10.8
131.08543	15.4
133.06502	2.3
133.10127	11.3
135.08086	3.5
135.11664	6.1
137.09596	1.5
141.06964	2.9
142.07761	2.6
143.08560	8.8
145.06430	2.2
145.10109	12.5
147.08031	3.3
147.11664	9.8
149.09584	1.8
149.13220	2.0
151.07495	1.3
153.09138	1.4
155.08559	6.5
157.10091	9.6
159.08034	2.3
159.11717	8.5
161.09567	1.9
161.13222	4.5
163.11177	3.4
167.08495	2.6
169.10124	6.7
171.07999	2.5
171.11632	8.9
173.04446	3.2
173.09576	2.9
173.13184	5.8
175.11180	4.6
175.14816	1.6
177.09146	1.2
181.10046	2.8
181.12221	1.7
183.11734	5.6
185.09677	2.4
185.13173	5.9
187.11124	3.3
187.14821	2.7
189.11154	2.9
191.10638	2.4
193.10564	1.2
193.12256	7.7
195.11633	2.6
197.09654	1.7
197.13194	4.3
199.11096	1.5
199.14787	4.1
209.09685	1.3
209.13295	2.8
211.13109	9.5
211.14992	2.3
213.12875	1.4
213.16451	1.3
221.13321	1.3
223.14842	2.0
227.12776	3.8
241.19482	3.1
243.15746	1.8
257.18942	1.4
259.20514	5.9
267.15952	2.6
275.20102	1.3
283.15222	1.8
283.20538	2.0
285.17099	4.2
297.21982	2.1
299.23608	4.7
321.22144	1.4
333.24249	4.5
335.25803	1.6
343.22784	1.5
367.22485	1.5
386.35873	1.3
403.24423	1.4
421.25906	1.8
429.21094	3.3
433.31064	5.4
435.27219	1.2
451.32016	10.0
469.33017	3.8
487.34702	1.3
507.34476	2.6
525.28613	1.4
525.35889	18.7
541.34735	1.9
543.36780	100.0
544.37170	3.7
567.36737	2.1
609.37646	1.2
633.38177	1.4
651.38477	4.7
669.39581	3.8
687.41028	7.0
705.41949	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	705.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
53.37633	0.7
55.01861	3.5
55.05266	1.1
55.05503	13.9
57.03437	4.3
57.07073	0.7
59.04982	1.1
61.02920	10.2
65.03929	1.1
67.05493	19.7
69.03418	9.2
69.07061	5.9
71.01321	0.9
71.04976	2.2
73.02915	6.0
77.74871	0.8
79.05485	15.0
81.03410	13.8
81.07047	16.4
83.04979	4.7
83.08616	6.7
85.02890	11.8
85.06545	1.5
91.03931	4.5
91.05464	11.3
93.06468	1.1
93.07036	13.0
95.04954	6.3
95.08606	10.2
97.02878	7.9
97.06506	1.8
97.10149	6.6
97.84163	0.6
99.04442	1.8
99.08092	0.8
101.02361	1.5
105.07012	14.0
107.04955	2.6
107.08580	9.9
109.02864	2.3
109.06523	1.6
109.10155	8.5
111.04438	1.8
111.08064	1.3
111.11623	0.9
115.05437	1.1
117.07003	6.8
119.07784	1.1
119.08572	9.5
121.06502	2.2
121.10121	5.2
123.08074	1.5
123.11698	2.1
125.09609	5.5
127.03923	2.1
128.06256	1.6
129.06982	7.4
131.08557	11.4
133.06462	2.2
133.10123	7.0
133.48747	0.6
135.08035	2.0
135.11687	3.3
137.09583	0.9
141.06976	2.0
142.07721	1.3
143.08525	8.1
145.06450	2.4
145.10115	10.0
147.08058	1.7
147.11670	5.6
149.09587	2.2
149.13290	1.6
154.07753	0.9
155.08527	4.2
157.09103	0.7
157.10129	6.9
159.08081	1.3
159.11646	7.4
161.09610	1.6
161.13234	2.7
163.11157	1.8
167.08559	2.7
168.85477	0.8
169.10098	5.0
171.08020	1.3
171.11658	6.1
173.09624	2.0
173.11871	1.2
173.13268	4.8
175.11195	2.6
175.14832	1.7
179.08667	0.7
179.89432	0.8
181.06375	0.7
181.10107	2.5
181.12202	1.0
183.11703	4.1
185.06047	0.8
185.09575	1.4
185.13202	4.8
187.11150	1.8
187.14830	2.2
189.11209	1.8
193.10416	0.8
193.12260	3.7
195.11711	3.0
197.09572	1.0
197.13268	2.3
199.11124	1.3
199.14778	2.0
201.12729	1.1
201.16447	1.0
207.11702	1.0
209.13258	1.9
211.11226	1.4
211.13271	5.1
211.14816	1.3
213.12715	0.8
213.16458	1.2
221.13248	0.8
223.14874	1.2
225.12781	0.7
225.16367	1.0
227.12712	3.9
229.14270	1.8
235.14934	1.0
241.19513	1.9
243.15823	0.8
243.21387	0.7
253.15826	0.8
257.18787	0.9
259.20416	4.4
267.15756	1.8
271.20813	0.8
283.20551	2.2
285.16968	1.0
297.22180	2.1
299.23550	3.3
301.21573	1.3
313.21497	0.8
315.23343	1.4
321.21866	1.1
325.21658	1.2
333.24252	2.8
339.23138	1.2
357.24164	1.3
367.22345	1.1
423.32343	1.6
429.21307	1.4
433.31113	3.9
435.27267	1.6
441.26892	0.7
451.31973	7.7
469.33182	2.8
487.34119	1.4
515.37396	1.5
525.35754	14.0
541.34235	1.3
543.36749	100.0
544.36914	3.5
555.36719	1.2
567.36823	1.4
585.37476	2.5
633.38141	1.2
651.38806	2.5
669.39911	2.9
687.41205	5.0
705.31360	1.3
705.42010	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	706.394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59464	0.5
53.03931	0.6
57.03426	2.9
61.66497	0.5
65.03923	0.5
67.05498	0.6
69.07046	0.5
70.44543	1.0
70.44939	1.0
72.22719	0.4
79.05484	3.0
81.07042	1.4
82.47343	0.4
86.09707	0.6
87.04454	0.9
91.05462	4.0
91.17203	0.5
92.03521	0.4
93.07030	0.8
93.77367	0.4
95.04955	1.5
96.45159	0.4
97.76099	0.4
103.05448	3.5
105.07012	16.7
107.04947	0.6
107.08517	0.7
109.06484	0.6
115.05449	1.0
117.07005	1.8
119.04920	1.0
120.05690	2.6
121.06491	23.6
122.07157	0.4
123.04388	1.5
124.05172	0.5
125.00045	0.6
126.29263	0.4
128.64095	0.4
131.04933	1.9
133.06477	1.2
135.08040	44.7
136.08362	1.0
137.05962	10.0
138.06740	13.2
139.07510	0.7
144.05659	0.7
145.06444	1.2
146.07246	8.8
147.04413	0.6
147.08008	0.7
148.05183	1.0
149.09607	1.7
151.07513	1.8
152.08318	0.5
153.09108	5.1
155.51007	0.4
159.08028	3.6
162.06754	5.9
163.07526	44.1
164.07925	0.9
165.09097	1.2
175.07536	0.8
177.05406	0.5
177.09131	6.6
180.07776	3.5
184.07317	2.2
187.07538	7.0
189.09081	1.7
189.59503	0.5
195.10150	100.0
196.10474	3.0
201.09119	0.8
215.06985	2.9
229.08607	0.7
229.12268	0.6
233.08067	19.0
234.08388	0.8
247.09642	1.6
267.10287	0.4
279.10150	1.0
294.08789	0.4
294.12335	2.0
295.09802	0.6
307.13000	0.6
310.11868	0.6
311.19986	4.1
325.14301	8.8
371.14624	1.4
447.25363	0.4
449.26862	9.2
450.27341	0.6
478.83377	0.4
530.45874	0.4
703.49817	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.9
67.05494	4.5
68.93296	1.0
69.07066	14.1
69.77406	1.1
71.20069	2.6
79.05484	4.2
81.07050	26.1
87.04471	1.8
91.05482	9.1
93.07030	2.7
95.08609	7.4
103.05457	1.7
105.07015	4.1
107.04936	3.5
109.06514	1.7
109.10118	3.7
110.79359	1.2
113.63798	1.1
115.05453	2.5
116.06214	1.9
117.06985	2.7
119.08572	2.3
121.06500	8.7
121.10112	2.2
123.11684	2.9
124.99979	1.4
128.06241	1.8
129.07001	2.7
131.04912	1.3
131.08556	2.4
132.05634	1.6
133.06458	2.5
135.08028	3.5
136.05150	6.7
137.05965	4.6
137.13260	1.4
138.06747	4.1
139.07521	1.5
144.05698	4.5
145.06479	4.4
146.07245	5.9
147.07996	5.7
149.05989	7.1
149.09554	2.2
150.06757	4.1
151.07530	50.3
158.07253	2.1
159.08049	24.7
160.05168	1.5
161.05908	2.3
161.09541	1.6
162.06750	3.2
163.07533	6.7
164.08325	4.7
165.05458	6.5
165.09106	26.6
173.06062	1.4
174.06747	5.2
175.07520	16.2
176.08142	1.2
177.05460	5.4
177.09090	13.1
178.09891	11.3
179.10657	78.4
180.11084	1.6
184.07321	4.7
187.07516	39.4
188.08273	3.4
189.09085	30.6
190.09853	1.3
191.10648	4.9
193.08603	5.4
195.10178	4.3
197.09566	1.3
201.09091	3.6
202.09906	3.1
203.07008	2.2
203.10696	3.6
205.12247	1.5
207.07976	1.3
211.11110	1.5
215.07014	15.4
215.10614	3.2
217.12187	2.1
221.66795	1.2
224.08258	1.6
225.09035	1.8
227.10533	1.9
229.08691	1.3
229.12268	5.2
231.14209	1.2
233.08035	32.5
235.07524	1.7
236.08292	1.8
239.10600	2.8
241.12190	1.5
243.10231	1.4
243.13962	1.9
245.15471	3.1
247.16936	7.0
249.09297	2.8
250.09877	1.5
251.10670	3.8
252.11319	1.5
253.08459	1.3
255.13853	1.6
259.16934	1.7
263.07455	1.1
263.10675	3.6
265.12183	1.8
266.12955	2.4
267.10254	6.9
268.10913	3.3
271.16840	4.6
277.08417	1.3
278.09421	3.2
279.10132	16.1
280.10614	1.5
282.09680	1.2
282.12387	7.4
285.11285	1.3
292.10986	2.2
293.11707	7.5
294.12433	18.6
295.09644	6.6
295.12863	2.1
297.11435	2.6
297.14862	4.0
297.89832	1.2
299.16339	1.5
307.13245	2.5
309.11182	1.8
310.11810	9.0
311.12753	2.3
311.19980	15.7
313.14325	5.0
315.15875	11.6
321.11172	1.6
325.14322	100.0
326.14731	4.6
339.15842	2.4
341.13815	11.5
353.13779	20.1
365.17505	7.2
381.16910	2.7
409.16409	3.3
414.50113	1.2
449.26840	85.8
450.26947	6.7
477.26407	1.7
487.28571	1.7
609.27258	1.4
625.34918	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	706.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85140	0.8
55.01852	2.5
55.02087	0.6
55.05266	0.9
55.05506	12.4
57.03432	11.2
59.23621	0.6
65.03931	1.4
65.24432	0.6
67.05498	19.7
69.03418	4.3
69.07070	5.8
70.08100	1.7
70.08501	2.2
71.04974	3.3
79.05482	18.9
81.03410	83.5
81.06584	1.1
81.07049	20.3
82.03732	1.1
83.04976	10.7
83.08614	21.9
85.02898	12.0
85.06509	2.1
87.03465	0.7
90.05526	2.9
91.05470	24.9
93.06475	0.9
93.07036	14.5
95.04961	27.3
95.08595	7.8
97.02857	3.4
97.06503	2.9
97.10153	5.4
97.73872	0.6
99.08083	1.0
103.05479	1.2
105.07017	17.9
107.04940	7.8
107.08582	7.9
109.02893	1.2
109.06516	4.9
109.10152	4.2
111.04416	2.9
111.08080	8.3
113.05985	1.4
115.05421	2.1
117.06989	2.0
118.27615	0.6
119.04919	3.1
119.08573	19.1
121.06501	5.3
121.10139	8.5
122.15607	0.6
123.04374	1.1
123.08044	2.4
123.11708	1.4
124.07568	1.0
125.05961	0.8
125.09621	3.9
127.03892	1.2
129.07001	13.1
131.04916	1.0
131.08551	11.7
133.06458	4.8
133.10121	7.4
135.08041	1.5
135.11685	1.6
136.48126	0.8
136.56113	0.7
137.05956	3.2
137.09622	2.4
141.06903	1.1
142.07762	2.9
143.08557	1.9
145.02821	1.5
145.06453	4.0
145.10112	3.8
147.04367	1.5
147.08037	4.6
147.11684	11.3
149.09605	5.4
151.03824	1.1
151.07507	1.0
151.11179	1.4
153.05397	0.7
153.09102	1.1
155.08574	1.0
157.06488	1.0
157.10117	13.1
159.08061	1.2
159.11699	1.1
161.05995	1.7
161.09555	0.8
161.13290	1.0
163.07428	0.7
163.11171	1.8
165.12726	2.3
167.07019	0.9
167.08432	0.8
169.06480	0.7
169.10211	0.7
171.08061	1.7
173.09615	0.7
175.03915	1.2
175.11154	11.6
177.05489	3.8
181.05002	0.8
181.10069	1.0
183.11618	0.9
185.13258	0.7
189.09314	0.7
189.11192	1.5
189.12788	0.7
193.12230	32.4
195.11649	1.2
197.13289	0.8
197.15167	0.7
202.10672	1.1
205.12221	1.2
207.06497	2.8
211.11366	0.7
211.13277	18.1
220.11757	5.6
223.11118	0.7
223.13176	0.8
227.14485	1.0
229.14326	1.4
229.80623	0.7
233.15291	0.8
249.14859	2.4
255.13751	2.1
267.15891	100.0
268.16199	2.3
273.14694	4.0
285.16949	19.4
339.23044	0.8
341.21027	0.8
349.21576	2.5
367.22681	9.2
385.23676	12.9
403.24905	3.2
405.23959	1.0
413.36700	0.7
415.24585	1.1
433.25793	12.6
435.23969	0.8
441.26312	6.6
446.82101	0.7
459.27368	61.9
460.27576	2.8
477.28433	39.1
478.28751	2.3
501.28384	0.8
706.33923	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27815	0.1
55.05489	0.2
55.80929	0.1
56.05030	0.8
57.07060	0.2
58.06618	0.4
59.07361	0.1
60.08160	6.4
67.05490	0.4
69.07034	0.1
71.04959	0.1
71.07367	3.6
71.08614	0.1
71.43979	0.1
79.05473	0.2
81.03399	0.3
81.07037	0.3
81.35027	0.1
83.04962	0.1
83.08611	0.2
85.02900	0.1
86.09698	32.5
87.04447	0.4
87.10027	0.2
91.05466	0.2
93.07011	0.2
95.08588	0.2
97.02938	0.1
98.98458	3.1
104.10735	2.5
105.07018	0.2
107.04932	0.1
107.08556	0.1
109.10136	0.1
119.08572	0.1
124.99992	21.1
126.00360	0.1
129.06894	0.1
133.10071	0.1
143.01038	0.4
165.09131	0.1
166.02678	0.2
184.07324	100.0
185.07703	0.8
193.12144	0.1
219.09865	0.1
227.12741	0.1
450.22668	0.1
496.34003	0.2
706.46466	5.4
707.46796	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03402	0.7
71.51713	0.3
71.52080	0.3
73.02879	0.3
77.00898	0.4
81.03410	0.4
82.99787	1.5
85.02883	0.7
86.99326	0.3
94.99828	0.3
97.02869	0.8
98.97567	0.6
101.00845	3.6
106.10544	0.3
109.02864	0.5
113.00845	0.4
115.02395	0.4
116.98586	0.4
119.01912	12.4
119.04922	0.4
120.02013	0.3
122.51385	0.3
123.04450	0.3
125.00819	0.3
126.80309	0.3
127.02387	1.0
127.03892	0.8
128.01381	0.4
129.00269	0.4
129.03923	0.3
131.01894	5.4
131.51950	0.4
132.01834	0.3
133.03427	0.9
135.04413	0.5
137.01880	0.9
137.02937	1.9
139.02362	0.4
139.03854	0.8
142.03474	0.4
142.52737	0.3
143.01881	13.9
143.51991	0.3
145.03448	8.0
145.04726	0.4
146.02448	0.3
146.03613	0.3
147.01328	0.7
147.04333	0.9
149.01859	0.7
149.02911	0.8
152.02356	0.9
153.03981	0.4
155.01868	8.0
157.03467	3.9
159.05019	0.5
161.02946	19.4
162.03087	0.6
163.04599	1.5
164.02417	0.4
167.01866	5.6
167.03160	0.2
169.03458	2.4
171.05031	3.4
173.02943	19.8
173.52959	0.6
174.03081	0.5
175.04498	1.7
177.02330	0.3
179.01814	2.5
181.03473	0.5
182.03467	0.4
183.04967	0.5
184.04587	0.7
185.02936	36.1
186.03093	1.2
187.04501	4.6
188.03432	0.3
189.06026	0.6
191.02145	0.3
191.03966	1.2
194.03441	0.4
196.04587	0.5
197.02942	13.7
198.03102	0.6
199.04471	0.9
203.03993	12.3
203.54059	0.6
204.04428	0.4
208.04523	0.9
209.02908	1.3
212.04491	0.4
215.03984	9.9
217.05276	0.3
221.02992	0.4
221.04955	1.7
224.04480	0.7
224.54649	0.5
226.05658	0.4
227.03992	8.2
228.04301	0.4
233.05061	0.8
237.38489	0.3
239.04016	1.0
245.05046	100.0
246.05232	3.9
249.08211	0.5
254.05492	0.6
254.55754	0.3
257.05066	5.2
258.05139	0.3
261.08179	0.5
263.06104	16.3
264.06210	0.7
271.06512	0.3
273.08209	0.4
275.06119	11.9
276.06323	0.6
284.06598	1.9
284.56650	0.7
286.07669	1.0
287.05725	0.7
293.07172	3.6
294.07178	0.3
304.57932	0.3
305.07150	11.4
306.07269	0.4
316.08685	0.4
317.07147	0.6
321.10245	0.7
335.08215	4.1
337.09735	0.3
347.08197	1.0
351.11517	2.6
362.20673	0.3
365.09274	40.5
365.59198	0.6
366.09610	1.8
383.10406	3.7
401.11362	0.5
406.11758	0.8
407.10468	0.8
425.11374	36.5
426.11523	2.1
437.11353	2.5
455.12457	2.1
485.13385	0.6
671.16278	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.6
55.01860	10.2
55.05503	35.2
57.03428	12.3
59.04985	2.0
60.50714	1.7
63.93856	1.9
65.03927	4.9
65.82282	1.5
67.05499	76.3
67.71702	1.9
69.03082	2.4
69.03427	23.1
69.07063	15.5
71.04981	11.9
71.52770	1.7
73.02907	2.3
79.05486	49.7
81.03410	100.0
81.07049	77.9
82.07362	2.1
83.04975	39.5
83.08610	24.7
85.02892	18.9
85.06527	4.0
85.91028	1.7
91.05470	43.6
93.07034	51.0
95.04961	24.5
95.08053	2.9
95.08600	48.8
97.02883	22.3
97.06520	9.0
97.10146	7.8
99.04433	7.1
99.08076	2.6
105.07024	37.7
107.04945	9.6
107.07870	2.3
107.08582	35.5
109.02879	13.5
109.06501	6.8
109.10149	29.0
111.04426	23.1
111.08081	12.2
113.05983	2.4
115.05421	4.2
116.50883	1.9
117.07020	12.0
119.08572	33.1
121.06470	6.4
121.10133	29.4
123.04407	2.5
123.08043	4.4
123.11694	11.0
125.09623	3.7
127.03905	11.5
129.05499	12.4
129.06979	14.5
130.07962	1.7
131.04884	2.8
131.08572	22.1
133.06506	2.8
133.10121	19.5
135.08076	3.4
135.11681	22.2
137.05882	2.7
137.09627	2.2
137.13287	3.0
141.06993	2.4
142.07759	2.2
143.08548	7.8
145.04855	1.8
145.06464	3.1
145.10101	18.4
147.08028	6.2
147.11693	23.9
149.05966	2.0
149.09583	7.8
149.13219	8.3
151.07535	25.0
153.12752	9.3
154.07848	1.6
155.08543	4.7
157.10118	16.3
159.07973	3.1
159.11668	10.8
161.13272	7.2
163.11212	10.5
163.14769	4.1
165.09073	5.4
165.12737	3.3
167.08673	1.9
169.10091	4.9
171.07990	2.8
171.11650	6.9
173.05902	2.7
173.09619	3.3
173.13245	6.9
175.11139	11.4
175.14767	5.2
177.09091	7.1
179.10588	4.5
181.10095	3.4
181.12198	12.0
184.07278	3.5
185.13213	4.6
189.09032	5.1
191.10623	10.1
193.12231	32.7
197.13223	4.0
203.17957	3.2
205.12163	2.8
211.13249	51.9
227.12701	19.9
229.14211	2.9
243.21095	2.8
249.14771	2.9
261.22171	10.5
267.15906	15.5
277.21591	3.6
279.23172	4.2
283.15295	11.3
285.16879	21.7
301.21625	3.8
303.23090	2.9
305.11768	3.0
317.24844	2.7
319.22757	2.1
327.15811	4.2
327.23285	1.9
333.24332	3.0
335.25803	17.2
337.27414	13.6
339.23001	2.5
345.24078	2.1
351.23090	3.8
353.16144	3.4
355.17407	1.9
369.24164	8.8
375.25180	2.7
387.25201	5.6
405.26428	2.8
420.30908	1.9
427.19772	2.9
429.21011	7.9
435.32187	2.2
443.27670	3.1
461.28946	2.0
479.29761	2.8
497.31351	2.1
512.86078	2.0
527.37097	8.2
543.36230	2.0
545.38379	29.1
552.60504	1.9
569.38007	2.0
635.39197	2.8
653.40472	7.4
671.41345	6.5
689.42505	18.1
707.43201	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	707.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.5
55.01857	7.4
55.05505	38.5
57.03434	16.1
57.07071	2.3
59.05001	1.8
61.02923	3.4
65.03932	4.1
67.05498	85.6
68.05830	2.6
69.03426	27.8
69.07055	20.0
71.01353	3.2
71.04987	11.5
71.52767	2.7
73.02905	2.5
76.51452	1.5
78.87811	1.7
79.05485	61.5
81.03411	100.0
81.07050	88.9
82.07404	2.0
83.04973	43.1
83.08613	27.0
84.29064	1.4
85.02893	21.1
85.06547	3.4
86.09705	5.9
87.04455	1.7
91.05469	52.6
93.07034	62.4
93.07626	3.2
95.04958	27.9
95.08598	50.0
97.02883	26.0
97.06524	7.9
97.10165	8.4
99.04449	8.9
103.05447	2.6
105.07030	40.9
107.04948	9.4
107.08582	34.0
109.02882	13.7
109.06515	7.7
109.10151	24.7
111.04427	23.2
111.08071	15.9
112.66590	1.7
115.05472	2.6
117.07000	11.7
119.08575	37.5
121.06480	6.5
121.10122	31.0
123.08020	3.2
123.11660	12.1
125.00003	2.4
125.09632	5.0
127.03915	13.9
129.05484	15.2
129.06993	11.6
131.08560	29.3
133.06487	6.5
133.10117	20.5
135.08031	3.2
135.11662	19.4
137.09648	4.2
137.13237	3.0
141.06984	2.3
143.08586	5.7
145.06404	2.1
145.10114	17.1
147.04445	2.1
147.08055	6.7
147.11670	25.9
149.09615	9.8
149.13258	7.0
151.07562	3.3
151.11124	2.4
153.12695	8.7
155.08557	4.8
157.10091	19.4
157.11140	2.1
159.08064	2.2
159.11710	8.8
161.09575	2.4
161.13240	6.4
163.07576	3.8
163.11182	11.6
163.14882	2.0
165.09082	5.5
165.12738	4.5
167.08426	1.7
169.10069	3.4
171.11717	5.1
173.09648	4.2
173.13283	8.1
175.11191	14.1
175.14711	2.7
177.12761	2.9
181.10089	2.2
181.12187	9.4
183.11632	2.3
184.07307	10.1
185.13249	4.3
187.14799	4.4
189.12666	2.2
191.10551	10.4
193.08620	4.9
193.12239	45.7
195.10139	3.7
197.02049	1.9
197.13338	2.1
209.11578	2.5
211.13261	72.8
212.13637	2.6
227.12718	18.6
229.14337	5.3
243.21097	2.2
253.16154	1.7
259.20541	2.6
261.22110	11.6
267.15918	13.4
283.15469	9.5
285.16913	17.5
297.70667	2.0
301.21829	2.4
303.23148	3.4
317.24606	3.7
335.25766	32.4
337.27332	12.0
351.23080	3.6
355.17603	3.2
359.25537	2.1
369.24313	4.8
387.25366	4.3
405.26602	3.2
411.20047	2.5
427.19766	4.0
429.21140	6.3
443.28107	2.4
478.57587	2.0
479.29926	3.5
527.37134	9.8
545.38287	42.0
546.38519	3.6
551.66205	1.7
635.39081	2.5
653.40149	5.3
671.40985	4.3
689.42401	18.2
707.43030	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	707.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.2
55.01862	9.3
55.05265	3.6
55.05509	36.5
57.03439	12.8
57.07062	9.9
61.56150	2.0
65.03911	4.4
67.05501	81.2
69.03422	20.4
69.07062	16.1
71.04980	7.3
71.52943	4.3
73.02917	2.2
73.40613	2.2
77.03957	2.0
79.05488	51.5
81.03414	100.0
81.07049	83.3
83.04978	39.6
83.08614	21.4
85.02896	19.2
85.06495	3.8
86.09683	3.9
87.04465	49.3
88.04805	4.5
91.05476	48.9
93.06479	3.8
93.07035	54.6
95.04971	30.6
95.08601	58.0
97.02885	21.5
97.06518	9.2
97.10144	9.4
99.04436	7.9
99.08078	3.1
103.05490	3.4
105.07024	44.1
107.04951	9.3
107.08584	29.3
109.02852	12.1
109.06524	5.1
109.10143	25.9
111.04426	24.1
111.08073	13.2
115.05424	2.4
117.06995	15.2
118.61829	2.1
119.08572	38.7
121.06487	9.5
121.10123	28.3
123.08070	5.4
123.11705	10.5
125.09605	5.1
127.03910	13.6
128.06204	2.7
129.05486	13.5
129.06970	14.4
131.08546	24.0
133.06474	5.8
133.10117	22.9
135.08018	3.7
135.11662	14.6
137.09663	4.9
137.13293	3.9
141.06985	3.1
142.07814	3.1
143.08527	6.0
145.06467	2.6
145.10130	21.2
147.08040	7.4
147.11670	26.4
149.05968	2.3
149.09586	9.4
149.13243	7.1
151.07571	3.4
153.12700	7.7
155.08571	5.5
157.10161	16.8
159.11676	9.3
161.09584	3.2
161.13298	5.3
163.11212	11.5
165.09116	4.7
165.12750	7.0
169.10091	2.6
171.11676	7.3
173.09610	3.1
173.13235	8.3
175.11211	13.3
175.14783	2.4
181.10063	3.6
181.12228	10.3
183.11667	3.4
184.07317	15.5
185.13219	4.4
187.14844	2.4
191.10626	11.9
193.10455	2.6
193.12213	39.3
195.27463	2.2
199.14851	2.8
203.14217	3.1
209.11732	2.5
211.13263	60.3
212.13620	2.6
227.12698	21.6
229.14227	3.3
243.21025	3.1
243.50449	2.4
257.15414	2.2
259.20508	4.0
261.21988	12.5
267.15799	12.8
277.21613	5.2
282.08783	2.2
283.15341	8.4
285.16907	23.4
301.21826	4.7
303.23090	6.7
327.22910	3.2
335.25827	22.8
337.27289	12.4
351.23248	5.0
353.15842	2.9
355.17471	4.7
369.24246	8.0
387.25238	8.7
405.26300	4.0
427.19641	2.5
429.21069	8.1
443.27771	3.3
453.33884	3.1
461.28726	4.9
479.29803	3.8
527.37378	11.9
545.38287	30.8
641.40381	4.0
653.39941	9.4
671.41046	7.8
689.42810	22.8
695.34442	2.7
707.44769	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	707.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.1
51.23901	1.9
53.03939	10.3
55.01868	8.4
55.05506	34.1
57.03434	16.6
57.07061	2.6
61.02917	1.5
65.03925	5.0
67.05499	69.9
69.03418	22.2
69.07058	16.7
70.08572	5.4
70.08978	3.9
71.04994	9.6
73.02913	3.8
79.05486	53.9
80.90608	1.5
81.03407	100.0
81.07044	70.8
82.07381	3.1
83.04972	43.5
83.08609	23.6
85.02888	19.2
85.06538	1.8
91.05473	49.5
93.07033	50.6
94.07407	1.9
95.04970	20.9
95.08596	54.3
96.05156	1.6
96.26576	1.7
97.02881	25.4
97.06515	10.2
97.10165	7.7
99.04450	7.7
99.08073	2.7
103.05447	2.0
105.07016	34.4
107.04945	10.0
107.08588	31.9
109.02856	12.2
109.06517	4.6
109.10155	26.5
111.04437	20.1
111.08073	12.7
115.05436	2.2
117.07011	13.4
119.08564	30.9
121.06503	6.3
121.10128	30.1
123.08018	2.3
123.11692	9.6
125.09618	4.5
127.03903	13.3
128.06236	2.0
129.05484	15.3
129.06998	13.1
129.07869	2.3
131.08553	21.4
133.06483	3.9
133.10110	18.6
135.08017	3.3
135.11681	15.7
137.09610	3.6
137.13271	2.5
142.07773	1.9
143.08560	4.7
145.06479	2.3
145.10100	13.7
147.07971	4.0
147.11673	22.6
149.05983	1.7
149.09630	8.2
149.13234	5.6
151.07503	2.8
151.11159	1.7
153.12762	6.1
155.08568	4.0
157.10101	14.1
159.11642	9.0
161.09616	2.1
161.13249	5.2
163.07623	1.7
163.11174	11.4
163.14801	4.9
165.12759	5.6
169.10133	3.0
171.11685	4.6
173.09641	3.3
173.11949	1.7
173.13271	6.2
175.11179	13.4
175.14796	2.4
181.10080	2.4
181.12225	7.5
183.11676	3.4
185.13316	4.0
187.14853	3.2
189.12735	2.2
191.10667	9.5
193.12218	43.7
194.12582	1.8
197.13260	1.9
199.11223	2.0
199.14751	1.7
209.11761	2.1
211.13263	68.6
211.15254	3.3
212.13635	1.9
219.29626	1.6
227.12732	18.9
229.14268	4.8
243.21074	3.5
247.82072	1.7
259.20612	2.8
261.22086	10.4
267.15936	9.9
277.21649	2.3
283.15396	10.7
285.16895	21.5
301.16711	2.3
301.21680	3.6
317.24448	2.2
320.26434	1.6
323.20084	1.8
335.25766	35.5
336.26233	3.4
337.16486	2.2
337.27341	11.8
341.24673	2.0
351.23126	3.9
353.15686	2.2
369.24249	6.5
387.25113	2.6
393.18890	2.0
405.26334	1.8
427.19437	3.4
429.21002	7.7
435.32211	2.0
443.27615	2.3
453.33554	1.9
479.29907	4.7
527.37036	8.8
543.37366	2.2
545.38281	33.3
546.38715	2.3
561.38336	2.2
563.39246	3.0
653.39948	5.1
671.41534	4.8
689.42474	15.9
707.43652	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	708.379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79263	0.8
53.03932	5.6
55.01625	1.3
55.01865	17.7
55.05507	36.9
57.03151	1.5
57.03430	31.1
57.07059	3.2
59.04977	2.3
59.49731	0.8
61.02923	8.1
65.03923	3.0
67.05497	51.3
69.03422	9.6
69.07059	15.3
69.19368	9.1
70.04190	1.2
71.01329	2.8
71.04987	6.9
72.68243	0.8
73.02907	7.9
73.06557	0.9
73.64865	0.8
79.05484	47.5
80.06246	0.8
81.03408	92.6
81.07047	46.4
81.07529	2.0
82.03743	1.5
82.04190	5.5
82.07388	1.2
83.01331	0.9
83.04484	1.9
83.04974	32.4
83.08610	34.9
84.02103	2.3
84.05765	1.2
85.02896	32.2
85.06527	3.5
87.04431	0.8
91.03938	3.1
91.05470	55.8
92.05777	1.0
93.07029	32.7
94.04139	1.1
95.04957	48.5
95.08591	18.6
97.02872	12.2
97.06521	13.2
97.10157	17.6
98.07298	7.5
99.04447	1.6
99.08083	3.3
101.05994	1.4
103.05417	1.5
105.03419	1.0
105.07020	34.0
107.04950	13.4
107.08575	21.2
108.05683	1.2
109.02890	1.9
109.06507	9.4
109.09474	1.0
109.10147	12.8
110.07285	1.0
111.04408	5.4
111.08064	19.5
113.05981	3.2
115.05420	2.3
115.07556	0.9
116.04695	16.2
117.07004	7.0
119.04902	1.5
119.08567	29.0
121.06485	5.1
121.10127	15.8
123.04342	1.0
123.08043	7.7
123.11669	2.3
125.05998	1.1
125.09612	19.6
127.03918	1.4
127.07558	0.9
127.11093	2.0
128.06174	1.9
129.05472	36.6
129.06960	15.5
130.05858	1.1
130.51248	0.9
131.08549	19.0
132.82997	0.9
133.06461	3.3
133.10115	17.5
135.08015	4.0
135.11693	6.5
136.08820	1.0
137.05905	0.8
137.09607	4.1
139.07541	2.0
142.07742	4.8
143.07008	6.9
143.10603	1.3
145.02841	2.0
145.04926	1.0
145.06543	1.0
145.10115	6.4
147.04469	1.6
147.08034	5.9
147.10501	1.4
147.11667	20.7
149.09616	10.0
153.09128	1.7
153.12752	4.0
155.08600	1.6
157.08586	16.8
157.10109	18.4
158.05733	3.0
161.09636	1.1
161.95871	0.9
163.11166	10.0
165.12752	5.0
167.07011	1.2
171.06520	3.0
171.10178	5.7
171.11488	0.8
173.09612	2.0
173.11716	4.2
175.11157	22.3
181.12227	3.4
185.08044	1.8
185.11691	1.6
189.11200	9.8
191.10596	4.3
193.12222	76.4
194.12593	1.3
196.38969	0.9
199.09616	1.1
199.13275	15.6
200.13997	2.9
201.12613	0.9
201.14766	1.6
207.06543	1.2
209.11728	8.2
210.12486	2.3
211.13266	100.0
212.13696	1.9
227.12723	16.6
229.12383	1.0
229.14297	4.3
231.13768	1.2
247.13298	2.8
249.14789	1.7
255.15907	3.9
257.17426	1.2
267.15875	30.9
268.16409	1.1
283.15341	10.6
284.15952	1.0
285.16919	69.6
286.17334	2.8
301.16418	82.9
302.16849	2.2
321.16910	1.0
339.18045	3.2
367.21274	1.1
395.19681	0.9
409.25934	4.6
427.26730	3.5
439.26892	12.4
445.25363	0.9
459.27261	3.4
475.26605	2.0
476.27753	3.5
477.28473	3.9
493.27847	11.7
494.28705	7.3
511.28992	60.0
512.29431	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	708.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.9
53.03946	6.8
54.92835	1.1
55.01864	15.2
55.05507	39.1
56.17762	1.1
56.81018	1.2
56.89483	1.0
57.03431	23.5
57.07048	1.4
59.04981	1.6
61.02920	4.9
61.30354	1.2
65.03931	4.5
67.05496	62.7
69.03426	10.0
69.07062	17.9
71.01339	5.2
71.04992	8.8
71.53063	1.7
73.02898	3.9
77.03928	1.6
79.05487	69.4
81.03410	100.0
81.07047	60.5
82.07384	1.5
83.04976	38.1
83.08609	28.6
85.02894	32.4
85.06522	3.8
91.03941	2.9
91.05470	58.2
93.07035	45.0
93.07630	2.7
95.04961	37.3
95.08597	30.1
97.02881	18.1
97.06525	12.4
97.10152	14.1
99.04441	3.5
99.08060	2.3
103.05456	2.1
105.07020	36.3
107.04944	37.6
107.08575	24.6
107.24628	1.4
109.02859	2.7
109.06506	9.3
109.10149	22.7
111.04421	15.2
111.08064	14.7
113.05978	2.3
115.05471	2.5
115.13201	1.1
116.10714	1.8
117.03461	1.3
117.07001	10.8
119.04953	3.2
119.08572	30.0
121.06491	5.4
121.10140	18.7
123.04417	2.7
123.08052	7.0
123.11665	4.3
125.05981	2.5
125.09612	10.1
126.09792	1.2
127.03905	2.7
127.07520	1.3
128.06194	1.9
129.05461	4.5
129.06992	15.5
130.07745	1.7
131.04930	3.4
131.08554	20.6
133.06491	4.8
133.10120	21.7
135.04375	1.9
135.08032	3.0
135.11668	19.6
137.05949	4.5
137.09589	4.3
137.13243	1.3
142.07773	2.8
143.08548	1.6
143.10658	1.7
145.02803	1.8
145.10097	18.7
147.04379	2.9
147.08028	9.7
147.11653	17.0
149.05988	2.1
149.09596	9.2
151.07524	1.6
151.11180	1.6
153.09091	1.4
153.12741	19.1
155.08536	2.9
155.10591	1.5
157.10118	19.0
161.05975	1.9
161.09518	1.7
161.53726	1.2
163.03943	1.5
163.11159	36.1
165.09146	1.6
165.12704	3.3
167.06953	2.1
173.09570	7.8
173.11786	7.8
175.03812	1.3
175.11163	18.9
176.04164	1.3
177.05431	5.7
181.04874	1.9
181.12231	16.8
189.11166	2.5
191.10652	17.3
193.12228	54.5
199.13249	9.8
202.79430	1.2
207.06519	4.9
208.06818	1.3
209.11682	13.0
211.13264	53.4
214.17995	5.4
224.90987	1.5
227.12778	22.9
229.14307	10.8
247.13345	2.2
255.15805	1.5
255.40208	1.4
265.14349	8.5
267.15869	24.7
269.04285	1.3
283.15375	24.4
285.16937	31.4
301.16470	5.6
314.45685	1.3
365.20963	1.6
371.14880	1.6
383.22034	1.8
409.25815	2.0
421.25848	9.7
439.26825	24.6
440.27005	1.6
457.25647	2.6
475.26913	3.6
493.27972	11.7
511.28653	6.0
708.36414	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	708.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.3
55.01864	3.8
55.05507	15.8
57.03432	13.4
57.12591	1.4
59.04983	2.1
61.02905	5.1
65.03921	3.8
67.05497	68.6
68.05837	1.3
69.03402	6.2
69.07057	11.5
69.88196	2.7
69.88603	5.8
71.04988	26.6
73.02885	2.3
76.66776	1.2
79.05482	38.0
80.03989	1.5
81.02913	2.6
81.03407	56.1
81.07044	100.0
81.25215	1.5
83.04971	15.6
83.08606	23.6
85.02895	21.6
85.06523	8.7
87.04463	2.3
91.03927	2.9
91.05470	44.7
93.07036	32.3
95.04955	21.9
95.08596	18.5
97.02874	4.9
97.06525	8.8
97.10147	5.9
98.00317	1.4
99.04408	2.3
99.08071	4.2
105.07011	25.8
106.07269	1.3
107.04940	5.1
107.08582	20.1
109.06483	6.7
109.10130	14.1
111.04417	2.3
111.08073	9.7
113.06026	2.8
117.07005	5.6
119.04891	1.9
119.07931	1.4
119.08583	15.3
121.06527	1.4
121.10136	13.4
123.08033	4.3
123.11677	18.1
125.09611	4.0
127.03841	2.1
129.06976	11.5
131.08565	14.7
133.06503	2.3
133.10117	27.9
135.08011	1.9
135.11668	6.1
137.05989	2.7
137.09639	2.3
142.07761	2.6
145.04906	1.3
145.10103	4.0
147.07993	2.7
147.11652	17.9
149.09610	8.2
149.13226	8.3
151.11180	9.3
157.10114	13.9
159.11665	5.7
163.11147	2.5
165.12714	4.5
172.06960	1.5
173.11736	1.8
173.13301	1.6
175.11148	14.9
177.05461	2.4
177.12602	1.8
183.13782	4.6
187.13216	6.1
193.12210	31.6
195.13808	3.9
201.14862	1.6
207.06407	3.0
211.13263	35.2
225.14932	3.2
229.14250	4.0
243.15990	4.0
253.18010	3.3
257.17410	3.0
267.15887	23.2
269.17453	23.7
283.15482	2.0
285.16937	25.7
301.20047	24.4
343.22714	2.1
349.23581	7.7
416.61600	1.5
417.26199	1.8
435.27353	32.5
439.26688	2.4
443.27588	4.2
453.28409	68.4
454.29202	2.6
461.28882	54.7
462.29202	2.1
467.30069	14.2
479.30002	58.3
493.31482	3.1
511.32932	38.0
512.32965	1.5
639.35364	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50423	1.1
52.26971	0.9
53.03943	1.2
55.05497	1.1
57.03417	3.7
67.05483	2.8
69.07056	2.4
69.83466	6.2
72.78196	1.1
79.05460	3.8
81.07030	4.2
83.08597	1.4
89.34219	0.9
91.05463	6.7
93.07034	3.0
95.04955	3.7
95.08591	1.8
103.05444	3.4
105.07018	19.0
106.58431	1.0
109.06454	1.2
109.10149	1.4
115.05431	2.2
117.07008	3.6
119.04913	1.2
119.08564	1.5
120.05696	3.6
121.06492	37.0
123.04407	2.3
131.04877	2.1
131.20728	1.2
133.06467	3.4
135.08041	54.9
137.05968	18.3
138.06769	11.9
139.07397	1.0
145.06464	2.6
146.07248	8.7
149.05971	26.0
149.09601	2.5
151.07504	7.9
153.09074	5.9
159.08061	1.5
161.83369	1.0
162.06758	7.3
163.07529	47.7
165.09088	11.0
167.07033	1.7
175.07497	1.3
177.05461	19.9
177.09077	9.8
180.07866	3.9
189.08934	1.7
191.10612	1.7
195.06532	16.7
195.10156	100.0
203.10663	4.1
215.10625	4.0
217.12315	1.9
231.13631	1.1
233.08156	1.8
271.16809	1.2
287.20071	1.4
360.02847	1.3
397.16400	1.2
463.24896	1.2
481.25888	2.7
554.54333	1.2
692.42963	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
55.01853	2.3
55.05505	11.4
57.03434	10.1
59.22542	0.7
61.02898	1.3
65.03939	1.2
67.05500	16.5
69.03428	4.5
69.07052	5.9
69.96531	3.6
71.04984	3.0
79.05485	16.1
79.05910	1.6
81.03412	71.1
81.07048	17.2
83.04961	8.1
83.08615	17.5
85.02897	9.8
85.06511	1.9
86.09624	0.8
91.05475	22.2
93.07038	12.2
95.04964	24.6
95.08614	6.6
97.02894	5.0
97.06510	3.7
97.10159	7.0
99.04465	0.9
105.07021	15.5
107.04951	8.2
107.08596	7.0
109.02852	1.4
109.06499	5.4
109.10147	3.3
110.07121	1.0
111.04411	2.1
111.08082	7.2
113.05976	2.0
115.05424	1.5
117.07018	3.1
119.04943	2.8
119.08570	15.1
121.06492	4.0
121.10133	7.9
123.04420	3.1
123.08058	2.8
123.11707	1.6
125.09605	3.7
127.03919	1.3
128.06204	0.8
129.06989	10.4
131.04903	1.7
131.08546	10.1
133.06464	3.7
133.10129	7.4
134.03731	0.8
135.08058	1.5
135.11707	1.3
137.05984	3.4
137.09636	1.9
142.07753	2.9
143.08537	1.0
145.02823	1.6
145.06494	4.0
145.10129	2.8
147.04399	4.0
147.08032	3.5
147.11676	10.5
149.02339	1.1
149.09604	5.5
151.07542	1.5
155.08627	1.0
157.06537	1.0
157.10118	11.3
159.08060	1.0
161.05937	1.3
163.03880	1.1
163.11057	1.6
165.12752	2.0
167.06967	2.2
173.09677	1.2
175.03882	1.6
175.07626	1.0
175.11160	9.7
177.02252	0.8
177.05464	2.9
179.07018	1.4
181.04993	0.9
184.07368	2.5
185.13116	1.0
189.11273	1.3
193.12236	31.0
195.11591	1.5
197.13205	1.1
199.11192	1.1
205.12186	1.1
207.06529	1.7
211.11316	1.7
211.13268	15.1
215.10399	1.1
219.13763	1.1
229.14265	0.9
233.15303	1.5
237.12778	0.9
249.14888	2.5
255.13885	2.8
256.32184	1.1
257.04373	1.0
259.06039	1.0
267.15897	100.0
268.16293	1.7
273.14807	5.9
285.16907	17.4
291.15997	0.9
299.05267	1.2
341.20959	1.2
349.21515	3.2
357.24429	1.1
367.22708	8.8
385.23636	13.3
403.24747	2.4
415.24786	1.9
433.25897	12.5
441.26349	6.4
459.27356	63.3
460.27850	2.3
477.28476	40.3
495.29037	1.1
519.29712	1.6
700.80634	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.01872	2.8
55.05509	17.7
55.78286	2.1
57.03436	16.6
63.84028	1.8
67.05501	55.0
69.03416	2.3
69.07071	15.1
69.83900	10.2
70.81719	2.0
71.01340	1.9
71.04999	3.9
73.02905	2.5
79.05069	3.5
79.05488	41.9
81.03396	4.2
81.07047	50.2
83.04977	9.7
83.08596	5.9
85.06528	3.8
91.05468	21.3
93.07034	56.2
95.04948	6.4
95.08604	28.5
97.06502	7.1
97.10155	7.3
99.08038	2.5
105.07023	11.8
107.08583	32.3
109.10137	18.2
111.47063	2.9
112.66319	2.1
116.84617	1.9
117.06985	6.0
119.08588	8.7
121.10134	17.6
123.11652	3.9
125.09637	2.3
129.39030	1.8
131.08533	6.2
133.10085	7.4
135.11676	44.2
144.94955	1.9
145.10120	12.5
147.11671	4.8
149.13266	3.4
151.11157	1.9
153.12688	3.6
159.11714	3.6
161.13232	3.7
163.11215	4.9
163.14856	2.8
173.13167	2.9
181.12172	10.1
184.07335	3.2
243.21054	4.4
255.15904	59.1
261.22131	12.4
317.24603	3.5
335.25778	60.8
467.17041	2.3
467.37390	4.7
506.12668	2.5
515.37311	100.0
516.37573	8.7
517.25555	8.8
518.25861	19.7
533.38702	2.1
591.48401	2.4
730.98279	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	714.5502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.05508	5.3
56.05029	3.2
57.07074	3.2
58.06585	0.6
60.04507	2.2
65.03908	0.8
67.05496	10.6
69.03417	1.0
69.06722	0.6
69.07065	6.7
69.80579	3.3
70.06570	1.7
71.08613	1.2
79.05484	9.6
80.05002	2.2
81.05789	0.9
81.07052	8.7
82.06581	5.3
83.08607	3.5
83.79499	0.5
85.02872	1.7
85.10161	0.5
91.05470	7.4
93.06464	0.8
93.07031	8.5
94.06558	15.8
95.04939	1.3
95.07344	7.4
95.08588	7.2
96.08146	4.1
97.02875	0.8
97.06527	0.6
97.10161	2.9
105.06467	0.5
105.07019	5.0
107.08571	5.0
108.08096	2.5
108.51237	0.5
109.10134	3.4
119.08569	4.9
121.10128	5.0
122.09694	2.7
123.11684	1.4
124.11195	0.7
127.03779	0.6
133.10104	3.5
134.09659	0.5
135.10440	0.8
135.11668	3.5
136.11218	0.8
137.13249	0.6
147.11674	1.7
149.13263	1.2
161.13229	1.0
164.37984	0.5
182.22470	0.5
197.64752	0.5
233.22620	3.1
245.22595	4.4
250.25272	8.1
260.23770	0.6
262.25272	100.0
263.25690	2.8
272.25848	5.0
280.26331	6.6
460.10550	0.5
504.47711	3.7
516.47742	24.1
517.48059	1.7
518.49048	4.1
534.48718	14.6
535.49335	0.8
637.44330	0.6
668.12000	0.5
696.53748	3.5
697.53345	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88855	0.5
53.03928	1.0
55.05509	7.6
56.05034	5.2
57.07071	2.8
58.06580	0.6
60.04520	2.5
60.23009	0.4
63.85086	0.4
64.45989	0.4
65.03943	0.5
67.05497	12.8
68.05007	1.2
69.03385	0.8
69.07064	8.2
70.06575	2.4
70.71073	0.7
71.08623	1.7
79.05489	9.2
80.05002	2.4
81.03400	0.8
81.05804	1.1
81.07047	10.1
82.06573	6.9
83.04988	0.6
83.08607	5.6
84.08119	0.7
85.02888	2.3
85.10180	1.0
91.05475	8.9
93.07032	8.9
94.06562	17.6
95.04928	1.3
95.07334	8.1
95.08596	8.4
96.07675	0.4
96.08131	6.1
97.02891	1.0
97.10150	3.5
100.07668	0.6
105.07017	6.1
107.07339	0.5
107.08575	5.2
108.08123	2.8
109.10137	3.2
111.11674	0.7
119.08562	6.1
121.10144	5.9
122.09673	2.8
123.11736	1.1
124.11227	0.6
133.10159	3.8
135.10463	1.0
135.11665	2.8
136.11189	0.8
137.13205	0.9
147.11670	1.4
149.05635	0.5
149.13206	1.4
161.13283	0.7
163.14822	0.7
175.14822	0.5
184.41631	0.5
191.17934	0.7
233.22653	3.1
234.22107	1.0
245.22649	4.4
250.25273	8.2
254.24846	0.8
262.25272	100.0
263.23148	0.7
263.25778	3.2
272.25815	4.0
280.26321	7.5
314.26953	0.7
504.47748	4.2
516.47711	23.6
517.47974	1.0
518.49335	4.2
534.48792	10.9
535.48859	0.5
647.89441	0.5
696.53632	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	718.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.05499	11.4
57.03424	10.2
57.06814	4.1
57.07065	35.3
61.02878	3.0
63.59703	2.6
67.05501	16.0
69.07053	10.6
71.08622	19.1
79.05479	16.5
80.83379	2.9
81.07058	29.3
83.08606	16.0
85.02882	3.0
85.10179	12.6
89.06008	9.2
91.05450	8.2
93.07025	29.0
95.04958	6.2
95.08602	42.2
97.02858	3.0
97.06499	2.9
97.10144	5.9
98.21529	4.5
99.04461	5.9
99.11688	2.6
105.07016	6.8
107.04933	6.2
107.08580	24.2
109.10137	12.1
117.06981	10.5
119.08532	9.3
121.06538	4.9
121.10156	10.3
123.11713	4.7
135.11691	45.4
145.10095	27.7
163.11169	62.9
181.12195	11.2
227.12799	68.5
239.23741	2.8
242.28860	2.8
257.24622	4.4
283.15375	80.6
313.27332	100.0
521.38342	92.1
522.38562	4.6
718.46552	4.9
739.00922	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	720.488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.0
55.01856	1.0
55.05257	1.4
55.05504	11.0
57.03190	1.3
57.03429	15.1
57.07071	25.7
61.02902	4.2
62.62683	0.9
64.17553	1.1
67.05140	1.0
67.05495	17.6
69.03410	3.9
69.07055	9.0
70.18290	3.7
71.04968	3.6
71.08626	21.8
73.02895	1.1
74.31951	0.9
79.05484	16.1
81.03410	46.1
81.06589	2.0
81.07046	29.1
81.07523	2.0
83.04961	10.9
83.08608	21.6
85.02899	19.1
85.06519	1.8
85.10172	11.4
89.06047	1.1
91.05467	21.0
93.07048	10.0
95.04952	14.6
95.08595	19.7
97.02869	4.3
97.06550	1.7
97.10126	5.4
99.08065	1.6
105.07014	15.6
107.04939	3.5
107.08566	5.3
109.06487	1.9
109.10149	8.3
111.04432	1.2
111.08069	8.0
119.08569	10.9
121.10115	8.1
123.08035	1.6
123.11695	3.8
129.06984	5.7
131.08542	7.8
133.06477	2.4
133.10066	6.0
137.09474	1.3
142.07736	2.9
147.08047	1.6
147.11679	9.5
149.09587	5.2
157.10112	10.2
165.12750	1.6
175.11148	9.9
184.07317	1.6
193.12219	33.9
211.13257	60.4
212.13664	1.2
239.23647	1.8
249.14693	1.2
257.24619	1.3
267.15909	20.8
285.16925	73.7
313.27325	80.4
314.27646	2.2
463.83484	1.2
505.38785	15.7
523.39905	100.0
524.40015	4.1
720.46899	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17076	0.9
58.99868	0.9
69.03417	1.9
70.57937	1.5
70.58288	2.2
77.00868	1.4
81.03397	1.3
82.99854	1.7
83.15043	1.1
85.02423	0.8
85.02898	3.0
91.05470	2.7
97.02868	2.2
97.72509	0.9
98.97578	1.8
101.00868	9.8
109.02871	2.0
113.00859	1.2
115.02383	1.7
119.01906	28.9
119.04924	8.7
127.02380	1.8
127.03923	3.0
129.00320	2.3
131.01891	11.0
133.03453	2.5
133.06503	1.2
135.04420	1.2
135.79549	0.8
137.02943	4.0
137.06047	0.9
142.03416	1.2
143.01878	20.6
145.03481	10.5
147.01357	8.1
147.04384	100.0
148.04753	2.0
149.02980	1.8
149.79904	0.8
155.01878	12.6
157.03427	6.3
161.02943	30.5
163.03787	10.1
164.04196	1.6
165.02396	1.0
167.01814	5.4
169.03439	2.1
171.01401	1.5
171.05054	2.6
173.02953	22.5
175.00830	1.2
175.02698	0.8
175.04523	3.3
179.01930	2.2
179.05621	1.0
181.03444	1.5
185.02937	31.8
185.04601	1.8
187.02856	1.9
187.04530	4.3
189.02541	1.1
191.01999	1.1
191.03893	1.8
195.05153	0.9
197.02924	14.3
197.06592	1.6
199.02802	1.0
201.02419	1.6
201.94814	0.9
203.03993	13.4
205.03448	7.3
211.04489	1.6
213.02441	1.3
215.03969	8.3
217.03796	1.4
219.01683	1.2
221.03001	1.8
221.05084	4.1
222.03217	1.1
223.02696	1.8
223.04546	16.4
223.06596	1.4
226.05641	0.8
227.03934	7.4
229.03520	5.4
231.03462	1.9
233.03110	1.3
233.05005	1.2
237.02655	1.4
237.06084	3.9
239.03949	1.4
241.03616	1.5
241.05608	12.1
241.07820	1.3
243.05070	2.0
245.05045	66.8
246.05397	2.7
247.04517	40.0
248.04842	0.9
249.06197	1.2
256.03326	1.1
257.05045	3.2
258.05011	1.3
259.04785	7.7
261.02719	1.5
261.06064	8.8
263.03711	1.8
263.06192	8.0
265.05548	45.5
266.05731	1.2
270.06134	1.5
273.05957	2.2
275.02139	0.8
275.03555	0.8
275.06143	6.1
277.03821	2.4
279.04156	1.4
279.07001	7.4
281.07339	1.3
283.06619	7.7
285.04565	3.4
287.03958	9.3
288.07095	1.8
289.05640	4.9
291.03564	1.0
291.07129	5.0
293.03845	1.9
293.07184	3.0
295.06750	1.4
298.04544	1.1
299.04001	1.6
301.05527	3.2
305.07346	5.1
307.06787	8.1
319.06381	1.6
323.06128	1.1
329.04950	1.8
331.06381	1.0
335.04688	2.9
335.08212	2.6
337.07645	1.2
349.07611	9.8
350.07895	1.3
351.05722	2.7
359.05023	3.4
361.03894	8.2
365.09244	8.4
367.08514	9.5
377.05576	6.7
379.04907	6.3
389.07162	3.5
395.06754	4.8
397.05881	8.4
403.05075	3.6
405.06662	1.5
415.07080	2.6
421.06024	22.8
422.06018	1.2
431.08154	9.7
433.06369	2.6
437.09259	1.8
438.09360	3.1
439.07166	29.6
449.09219	4.9
451.07147	9.8
457.08783	4.8
469.08905	4.1
481.08228	4.9
499.09283	4.1
505.08057	4.4
517.09943	1.6
523.09222	11.9
529.13794	3.4
541.10553	11.5
559.11548	3.6
597.50909	1.0
685.13922	3.1
703.15070	6.3
721.16577	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	721.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.5
52.08732	2.2
53.03939	15.5
54.23871	2.2
55.01863	14.4
55.05506	37.1
57.03429	16.6
61.02924	4.8
62.11444	2.1
65.03937	3.7
65.39500	2.3
67.05499	73.0
69.03419	29.9
69.07059	25.7
71.01338	2.6
71.04977	12.4
73.02914	3.2
77.03927	3.2
77.86695	2.7
79.05486	64.1
81.03408	100.0
81.06583	5.1
81.07048	85.4
83.04974	33.1
83.08612	27.8
85.02898	22.5
85.06523	6.1
91.05476	77.4
93.07036	61.0
95.04961	31.6
95.08598	38.8
97.02885	23.4
97.06524	26.6
97.10165	16.0
99.04472	5.6
99.08080	2.7
101.02363	3.4
103.05447	2.8
105.07021	58.0
107.04932	20.8
107.08575	40.4
109.02858	16.7
109.06522	13.5
109.10140	24.5
111.04444	12.3
111.08066	10.2
113.06026	3.1
115.05440	5.1
117.06992	21.2
119.08568	53.3
121.06491	9.0
121.10142	25.5
123.04402	4.7
123.08051	9.1
123.11716	8.9
125.09624	13.1
127.03900	15.1
128.06181	4.9
129.05502	3.6
129.06995	20.1
131.04889	2.7
131.08553	30.5
133.06520	6.3
133.10118	31.8
135.08040	10.6
135.11679	9.9
137.05936	4.7
137.09613	4.9
141.06999	5.0
142.07811	3.5
143.07536	2.8
143.08492	11.1
145.06479	6.7
145.10109	23.9
147.04362	2.4
147.08002	5.6
147.11676	26.0
149.09618	21.5
149.13266	3.4
149.95038	2.5
151.11171	3.7
153.12756	3.4
155.08513	6.4
157.10097	18.5
159.08026	3.5
159.11713	17.0
161.05948	2.3
161.09624	5.6
161.13237	8.4
163.11168	11.5
165.12703	6.4
167.07085	2.3
167.08453	2.5
169.10066	5.8
171.11691	6.0
173.03146	2.9
173.04437	15.6
173.09547	4.6
173.13309	8.4
175.11169	12.2
177.12782	3.4
181.10158	5.4
181.12160	3.7
182.86996	2.1
183.11697	8.6
185.13266	5.1
187.11186	4.7
189.11229	7.1
191.10687	3.8
193.12225	31.7
195.11708	3.3
195.13770	2.6
197.13300	5.4
199.11186	4.1
201.12753	3.1
203.10715	2.6
209.13200	3.2
211.13258	46.3
227.12648	14.2
227.17891	2.8
229.14253	4.7
229.19505	5.5
239.17947	3.6
247.20508	5.9
257.19022	12.0
267.15909	14.4
275.20035	76.9
285.16934	15.5
286.17334	2.5
293.21078	10.6
331.22607	2.8
349.23672	37.0
355.17447	3.5
411.20212	4.4
429.21097	10.3
449.30295	2.6
460.94275	2.5
461.28897	3.3
467.31491	4.0
479.30652	3.0
502.65079	2.6
541.28192	3.6
541.35339	40.2
559.36169	41.8
560.36194	2.5
685.39368	4.4
703.40411	20.1
721.41687	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	721.415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86079	2.0
53.03936	12.0
55.01870	24.7
55.05504	37.9
57.03442	15.9
58.02581	2.3
63.28760	1.8
65.03923	4.9
66.03391	1.8
67.05498	64.2
69.03420	27.3
69.07065	35.7
70.72917	7.6
71.01325	2.8
71.04994	13.7
73.02919	3.2
79.05485	56.2
81.03412	100.0
81.07047	83.5
81.07523	4.4
83.04977	27.8
83.08604	27.2
85.02903	23.4
85.06532	4.5
91.05473	71.7
93.07039	56.5
93.91505	2.1
95.01319	4.9
95.04960	35.8
95.07996	3.0
95.08596	42.1
97.02884	25.5
97.06514	42.8
97.10193	12.9
98.20781	2.4
99.04451	11.2
99.08068	4.1
103.05469	4.2
105.07023	77.1
107.04947	22.4
107.08582	28.6
109.02873	15.2
109.06513	10.2
109.10148	17.9
111.04442	13.7
111.08088	11.6
113.05949	3.8
115.05431	5.6
117.07010	21.2
119.08572	46.4
121.06490	10.0
121.10136	23.3
123.04426	4.1
123.08058	8.2
123.11720	6.9
125.09610	6.3
127.03909	14.7
128.06233	3.3
129.05487	5.6
129.06970	16.3
130.07819	2.7
131.08557	35.3
133.06493	4.4
133.10123	36.3
135.08034	11.0
135.11685	8.8
137.06006	3.3
137.09608	4.1
141.06989	4.7
142.07750	4.5
143.08563	8.0
145.06468	3.5
145.10101	22.0
147.04405	2.5
147.08052	8.1
147.11671	25.7
149.09610	16.9
149.13219	7.1
151.07556	5.1
151.11179	2.6
153.12694	3.8
155.08521	6.8
157.10094	20.3
159.07956	4.4
159.11688	17.1
159.60257	2.3
161.09604	4.0
161.13316	5.7
163.11116	12.0
165.09093	3.6
165.12723	4.0
167.08430	2.3
169.10092	6.4
171.11671	9.1
173.04465	12.4
173.09538	3.2
173.13249	6.5
175.11165	13.0
177.12685	4.6
179.14319	8.5
181.10251	2.7
181.12044	3.1
183.11682	6.2
185.09685	2.4
185.13229	5.7
187.11192	5.2
189.11221	3.3
189.12720	3.4
191.10762	3.0
193.12230	32.0
195.11801	2.6
195.13829	3.0
197.13245	3.1
201.12614	2.8
205.12244	3.5
211.13281	42.6
227.12712	7.6
229.19408	5.5
239.17918	3.2
247.20639	4.3
257.18988	9.1
267.15891	29.4
273.18466	3.7
275.20038	91.0
285.16888	16.6
293.21011	7.3
313.21674	3.4
349.19736	3.5
349.23706	38.5
355.17783	2.6
355.22385	2.9
372.32321	2.9
411.19934	2.6
429.21066	23.6
456.44208	2.4
461.28741	4.7
463.30447	2.7
479.30142	5.3
541.35150	46.0
559.36267	24.8
600.51074	2.7
667.38464	3.3
703.40601	30.9
721.41333	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	721.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79989	3.7
53.03942	6.7
55.05495	19.9
57.03434	8.2
67.05498	69.8
69.07043	19.2
70.56338	14.0
79.05054	7.7
79.05484	73.8
81.03403	6.1
81.07053	66.7
83.04965	8.8
83.08590	9.4
83.23974	4.8
91.05477	51.9
93.07037	61.0
95.04954	14.6
95.08584	42.1
105.07018	38.8
107.08577	23.0
109.06467	5.0
109.10123	8.9
110.55381	4.7
117.07025	13.6
117.78107	4.0
119.08549	19.1
121.10136	10.6
129.06993	8.0
131.08557	7.1
133.10127	11.2
135.11708	8.3
139.07602	4.3
143.08574	6.3
145.10109	10.3
147.11635	20.3
171.11653	13.1
207.13785	14.4
267.16608	4.2
281.17438	39.0
295.15927	4.4
335.25797	53.4
541.38904	100.0
542.39020	5.9
546.10022	4.8
647.11591	5.1
721.49097	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	722.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65678	0.2
54.01815	0.2
55.05496	0.2
56.05032	0.5
57.07083	0.3
58.06586	1.5
59.07365	1.0
60.08156	5.0
66.82046	0.2
67.05491	0.4
69.07061	0.3
69.30562	0.5
69.30959	2.0
70.06592	0.2
71.07358	2.3
72.17164	0.2
79.05471	0.4
81.07050	0.5
83.04960	0.2
85.66353	0.2
86.09693	27.7
87.10045	0.2
91.05479	0.6
92.53811	0.2
93.07030	0.5
98.20730	0.3
98.98445	2.3
104.10719	1.9
105.07005	0.4
119.08552	0.3
121.06498	0.8
121.10221	0.3
124.99986	17.1
135.08029	0.8
140.62627	0.2
143.01097	0.3
146.07245	0.4
149.05977	0.4
154.42036	0.2
163.07481	0.7
165.09045	0.4
177.09088	0.7
184.07312	100.0
185.07707	1.0
195.10117	1.4
222.08907	1.1
224.10510	0.3
233.11626	0.5
238.08205	0.3
240.10147	0.3
282.10855	0.2
341.12408	0.2
341.44638	0.2
354.12921	0.4
509.75693	0.2
542.38824	0.5
550.34650	0.2
575.55005	0.3
722.45850	5.0
723.44666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.43
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.3
55.01881	7.0
55.05508	30.2
57.03421	7.7
61.02925	8.6
67.05500	60.0
69.03439	10.2
69.07059	16.1
70.04242	12.2
70.04654	16.6
71.04974	8.2
71.16973	4.9
76.04724	4.9
79.05482	39.6
81.03394	14.7
81.07052	50.7
83.04961	6.6
83.08611	20.9
85.02929	7.5
91.05475	41.7
93.07043	42.0
95.04947	17.0
95.08603	34.5
96.01622	5.4
97.02882	8.4
97.06508	10.8
97.10150	12.4
105.07027	45.1
107.04966	7.3
107.08571	28.7
109.10139	27.9
115.05460	5.0
117.07033	19.6
119.08585	36.4
121.06491	6.3
121.10143	14.6
123.04445	5.5
123.08041	9.5
123.11684	6.6
125.09560	8.3
128.85571	5.1
129.06956	9.8
131.08583	36.6
133.10097	27.5
135.08058	7.3
135.11681	18.0
141.06949	6.1
142.07857	5.5
143.08553	19.2
145.10146	21.2
147.08003	6.1
147.11667	18.9
149.13168	5.2
151.07520	12.8
155.08560	7.2
157.10106	22.6
159.11682	15.3
161.13275	15.7
165.05452	7.4
167.08455	6.6
169.10139	15.1
171.11702	17.6
173.13261	11.1
179.08525	5.5
181.10010	5.8
183.11649	9.8
185.05989	21.1
185.13322	8.8
193.10127	6.3
193.12172	9.2
199.11226	7.0
210.40216	5.0
223.48146	4.7
227.12679	5.9
241.19453	8.8
259.20566	15.1
265.08496	5.6
267.15894	8.5
285.16946	6.5
301.17648	5.4
318.76877	5.3
333.24109	6.5
389.79062	6.9
433.30823	20.3
451.31750	12.3
469.32959	7.2
525.35620	40.0
543.36774	100.0
561.38000	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	723.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87224	7.0
55.05497	25.1
63.89050	8.6
67.05500	84.5
69.03410	18.8
69.07048	27.0
71.04971	23.9
71.53073	7.7
79.05494	50.1
81.03394	18.4
81.07046	100.0
83.04957	28.1
83.08593	10.0
91.05473	41.1
93.07034	51.7
94.14837	7.5
95.08582	32.7
97.02886	14.2
97.06478	8.1
100.40463	7.1
105.07011	29.5
107.04909	8.1
107.08572	27.7
109.10146	23.1
117.07039	7.5
119.08517	17.7
121.10118	16.4
123.11690	11.9
129.05434	8.6
131.08545	16.3
133.10109	23.4
135.11696	7.3
145.10153	8.4
148.01405	7.6
149.13199	10.9
151.11220	9.8
158.58934	8.5
169.12282	7.5
184.07297	13.2
187.13327	11.5
269.17386	12.5
269.83154	7.2
306.63846	6.9
335.25735	17.3
337.47012	9.3
384.97305	7.7
503.37320	45.5
505.38544	14.9
529.38690	9.7
561.41321	21.1
632.35602	7.6
664.25739	8.6
723.45245	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00704	0.8
53.03943	3.0
55.01869	16.3
55.05508	27.7
57.03432	18.9
57.07070	3.3
59.05004	1.5
60.02136	0.8
61.02925	6.4
65.03941	1.2
66.36182	0.9
67.05502	40.0
68.18594	0.9
69.03427	7.8
69.07062	11.7
70.04178	1.4
70.31651	1.7
70.32037	3.0
71.01337	2.0
71.04987	4.7
73.02911	8.5
73.10914	0.8
75.19958	0.7
79.05491	31.0
80.06255	1.7
81.02927	1.1
81.03415	23.2
81.07051	30.6
82.04182	6.0
83.04972	18.5
83.08618	13.0
84.02120	2.5
84.05758	1.1
85.02895	6.8
85.06547	3.1
91.03954	1.9
91.04902	1.3
91.05476	26.4
92.06261	1.2
93.07037	22.4
93.07624	1.2
95.04971	18.1
95.08600	13.3
96.05760	1.9
96.09454	1.1
97.02892	8.9
97.06538	10.1
97.10171	23.8
98.07304	9.2
99.04437	1.7
99.08068	1.3
101.06028	1.4
105.07030	14.3
106.07878	0.9
107.04955	9.2
107.08591	17.1
109.02850	1.8
109.06519	5.4
109.10155	13.4
110.07286	1.1
111.04430	2.6
111.08064	6.1
113.06013	1.7
115.05459	1.2
115.07624	1.0
116.04701	15.1
116.73621	0.9
117.05479	1.5
117.07008	6.2
119.04950	2.7
119.08585	13.9
121.06494	2.6
121.10153	8.4
123.04436	1.0
123.08047	7.9
123.11673	1.5
125.09621	21.6
127.03928	1.5
127.11187	1.9
129.05478	41.7
129.06892	5.2
131.04953	1.3
131.08566	7.8
133.06464	1.2
133.10124	9.4
135.04398	1.2
135.08070	4.5
135.11656	8.1
136.08835	1.6
137.05980	3.5
137.09613	4.1
142.07817	1.1
143.07030	8.6
143.08652	0.9
143.10670	2.2
145.06493	1.2
145.10118	7.7
147.04430	1.7
147.08043	2.5
147.11694	6.3
149.09630	4.0
153.05493	1.3
153.09096	1.7
153.12755	4.3
155.08603	1.3
155.10616	0.9
157.08601	20.1
157.10104	6.7
158.05707	1.3
163.11177	10.6
164.11957	1.2
165.12708	1.5
167.07048	2.6
171.06569	2.1
171.10199	4.9
171.11484	1.0
173.09572	2.7
173.11749	6.0
175.11209	4.6
177.05525	1.8
181.12256	3.2
184.07355	2.1
185.08136	1.2
185.11746	2.4
189.11214	11.7
191.10658	3.8
192.11340	1.3
193.12221	8.3
197.08058	1.0
199.09671	1.2
199.13307	12.4
200.14035	4.8
207.06549	2.2
209.11703	8.3
210.12529	2.8
211.13237	3.8
213.14946	0.9
217.14322	1.4
227.12764	19.8
229.14285	4.7
239.16335	1.0
247.13290	1.6
255.15973	2.4
265.14444	1.3
267.15897	12.0
269.17401	1.1
283.15381	8.9
284.16098	1.6
285.16888	1.4
290.43231	0.9
301.16446	100.0
302.16705	2.7
355.17712	1.3
443.26413	2.5
455.26471	6.9
459.27454	2.7
477.28308	3.3
478.28824	1.0
493.28326	5.3
503.26962	1.0
509.27591	3.7
510.28149	3.8
511.28912	0.9
527.28497	54.3
528.28827	3.0
724.39600	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	724.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81646	1.7
53.03934	2.7
55.05484	1.7
57.03428	3.4
59.34759	1.4
67.05505	7.8
69.03423	1.8
69.07053	2.6
79.05480	6.5
81.03410	2.9
81.07037	7.2
86.09689	3.2
91.05468	10.1
93.07025	4.8
95.04947	2.8
95.08585	5.1
103.05480	4.0
105.07019	17.7
107.04939	2.8
109.10145	3.5
114.75212	1.6
115.05444	3.2
117.07016	3.7
119.08547	2.2
120.05745	1.8
121.06493	39.7
123.04414	3.0
131.04942	2.8
133.06424	1.8
135.08038	51.3
137.05954	8.0
138.06747	15.2
145.06485	2.9
146.07239	8.3
147.08018	2.2
149.05962	28.6
149.09566	1.8
151.07497	12.8
153.09100	8.4
162.06747	7.3
163.07526	52.9
164.08211	2.4
165.09128	16.2
167.07059	2.2
175.07397	3.1
177.05464	31.9
177.09099	11.7
179.10670	14.6
180.07838	1.8
182.56680	1.7
184.07372	4.9
187.07657	1.8
191.07077	1.9
191.10658	4.1
195.06506	21.4
195.10147	100.0
203.10620	2.9
205.12166	1.9
215.10562	2.2
216.11673	1.8
217.12204	5.0
229.12230	4.4
229.64374	2.4
231.13757	2.9
233.08075	2.6
243.10164	1.8
245.15562	1.8
257.15302	1.7
267.15948	3.8
299.19818	2.4
301.21518	2.0
325.13992	2.0
335.25812	3.1
371.15015	1.8
411.17828	2.3
449.26358	2.3
477.26270	2.6
479.35437	1.5
495.27957	3.0
637.13196	1.5
724.45300	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64394	0.9
60.08158	6.6
65.63715	1.1
66.23770	1.0
67.05484	2.3
69.07059	2.7
69.99633	2.0
70.00049	3.3
71.07367	3.6
79.05480	3.2
79.17055	0.9
81.07043	7.3
86.09695	32.0
91.05457	3.9
93.07024	1.3
95.08576	2.2
98.21426	1.3
98.98445	2.5
103.60360	0.9
104.10748	3.3
105.07026	2.4
107.08571	0.9
109.10153	2.3
117.07066	1.3
119.08617	1.0
121.06503	11.6
123.11685	1.3
124.99988	23.0
130.63692	0.8
131.04958	0.9
133.06477	1.3
135.08046	5.7
136.05229	1.0
137.05981	1.7
138.06760	2.2
146.07265	1.5
147.08011	1.3
149.05960	16.5
149.09517	1.4
150.06712	1.6
151.07521	17.5
160.08928	0.9
161.05966	1.1
162.06749	1.5
163.07465	4.7
164.08289	1.1
165.09094	10.6
167.07082	1.6
173.09674	1.2
176.08267	2.3
177.05441	11.9
177.09088	3.5
179.10663	21.5
184.07317	100.0
185.07741	1.8
185.09612	1.0
188.08347	1.2
189.09099	2.5
191.07014	1.4
191.10690	3.3
193.08540	4.3
195.06566	2.5
195.10146	8.3
202.09869	1.4
203.10698	3.9
205.08644	1.4
205.12282	2.0
215.10683	3.2
217.12241	3.3
218.13004	1.6
229.12317	1.1
231.13751	2.2
233.11732	1.2
243.10229	1.1
257.15424	0.9
265.30579	1.1
271.16974	3.2
283.12759	1.0
299.16470	2.5
353.13705	1.1
393.16824	1.3
395.18518	3.9
477.26559	1.7
672.92889	1.0
691.83923	1.1
724.44952	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	724.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52228	0.3
55.01863	3.8
55.05504	15.4
57.03427	15.7
57.07050	0.4
59.04985	0.6
61.02909	1.5
63.29189	0.3
65.03931	1.6
67.05495	23.9
68.05812	0.4
69.03419	4.1
69.07061	6.7
70.44688	0.6
70.45067	1.2
71.01324	0.5
71.04980	3.6
73.02899	1.2
75.88826	0.4
77.03913	0.5
79.05479	24.4
80.05798	0.5
81.03406	100.0
81.07043	25.3
82.03722	1.1
82.07367	0.6
83.04966	13.2
83.08604	25.5
85.02365	0.5
85.02889	14.7
85.06519	2.0
91.05465	29.9
93.03388	0.3
93.07029	16.4
95.04951	35.6
95.08593	11.7
95.09102	0.2
97.02879	4.8
97.06528	3.6
97.10159	7.2
99.04480	0.6
99.08061	1.2
102.35503	0.4
103.05418	0.8
105.03413	0.4
105.07015	23.6
107.04939	9.9
107.05621	0.7
107.08578	9.8
109.02857	0.8
109.06503	5.8
109.10142	5.5
111.04418	2.6
111.08061	10.6
113.05985	1.8
115.05421	1.8
117.03384	0.6
117.06985	4.2
119.04964	1.7
119.08562	20.8
121.06480	5.0
121.10126	10.1
123.04411	1.6
123.08044	2.9
123.11668	1.7
125.05952	0.4
125.09610	4.9
127.07547	0.4
128.06213	1.3
128.35643	0.4
129.05533	0.5
129.06984	15.0
131.04913	1.4
131.08549	15.3
132.08960	0.5
133.06487	5.3
133.10106	11.4
135.04410	0.7
135.08044	2.0
135.11646	1.8
137.05957	5.2
137.09628	2.4
139.11137	0.5
141.06926	0.7
142.07771	3.6
143.08549	1.6
145.02805	0.9
145.06462	5.3
145.10069	3.1
147.04388	1.4
147.08031	5.6
147.11659	13.9
148.12048	0.6
149.05981	0.6
149.09590	7.1
149.13310	0.5
151.07472	0.4
151.11176	1.1
153.09122	1.0
153.12741	0.4
155.08562	0.9
157.06509	0.8
157.10103	17.0
159.08014	1.3
159.11673	1.1
161.05945	1.3
161.09627	1.0
161.13281	0.4
163.07576	0.4
163.11186	2.6
165.12743	3.5
167.07060	0.9
167.08524	0.7
169.06487	0.6
169.10080	1.3
171.08044	1.2
171.11624	1.8
173.09641	1.0
173.11787	0.6
175.03923	0.5
175.11157	16.1
176.11534	0.6
177.05449	1.3
177.12677	0.5
181.04956	0.7
181.06497	0.6
181.10172	0.6
183.08018	0.5
183.11671	0.7
185.09595	1.1
185.13202	1.2
186.64351	0.4
187.07433	0.5
187.11154	0.6
187.14813	0.4
189.05513	0.4
189.09108	0.4
189.11148	1.3
189.12610	0.7
191.06941	0.4
191.10603	0.5
191.14314	0.4
193.12209	38.5
194.12569	1.0
195.08014	0.7
195.11691	1.4
197.13245	0.7
199.11151	0.7
201.12653	0.4
203.14282	0.5
205.12221	1.2
207.06444	1.0
209.09726	0.4
211.13245	18.5
212.13585	0.9
213.12715	0.8
215.14336	0.8
219.13748	0.9
223.13239	0.7
225.12747	0.7
225.14784	0.5
227.12518	1.7
229.14342	2.1
231.13817	0.5
233.15320	1.9
234.01807	0.4
237.12643	0.8
237.14842	0.5
239.14355	0.5
241.12225	0.4
245.15523	0.4
249.12648	0.4
249.14751	1.8
255.13713	2.7
267.15872	98.6
268.16153	2.3
273.14832	4.1
281.15421	0.4
283.15341	0.6
285.16928	18.0
286.17230	0.5
287.16418	0.5
309.16806	0.5
311.16251	0.4
323.18985	0.4
339.23175	1.0
341.21039	1.7
349.21399	3.1
357.24036	0.7
367.22638	9.9
385.23660	11.6
386.24048	0.5
387.14258	1.2
387.22867	0.5
403.24557	3.3
405.24216	1.5
415.24744	1.2
421.25906	0.5
433.25845	13.1
434.25925	0.7
441.26315	5.7
459.27344	60.0
460.27756	3.0
477.28412	37.0
478.28683	2.1
491.29907	1.4
495.29529	0.7
501.27811	0.4
509.30444	1.2
519.29419	1.0
527.28577	0.6
580.10834	0.5
585.30212	0.6
724.38605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.01855	2.2
55.05273	0.8
55.05509	10.2
57.03189	1.0
57.03433	10.5
65.03921	1.3
67.05177	1.0
67.05503	15.8
69.03438	3.4
69.07052	3.7
69.64745	4.0
70.41402	0.7
71.04976	1.9
79.05070	1.2
79.05492	16.2
81.03413	65.5
81.07050	15.5
83.04980	7.6
83.08612	18.3
85.02896	10.3
85.06523	1.6
85.92418	0.7
91.05474	18.0
93.07037	12.3
95.04369	1.5
95.04961	25.1
95.08616	5.5
97.02884	2.6
97.06506	2.1
97.10155	4.7
99.08068	0.9
105.07018	14.2
107.04955	6.5
107.08582	6.2
109.06497	3.8
109.10126	2.7
111.04433	2.3
111.07478	0.8
111.08076	7.8
113.05978	1.6
115.05396	1.6
117.07023	2.4
119.08579	12.7
121.06507	2.6
121.10131	7.5
123.08047	1.9
125.09630	2.5
129.06990	11.1
131.08559	9.0
133.06483	3.9
133.10115	7.0
135.08006	1.1
137.05956	0.9
137.09628	1.7
138.28619	0.7
142.07771	2.4
145.06459	3.3
145.10123	2.6
147.08003	3.7
147.11681	9.0
149.09619	5.0
157.10124	10.6
159.07982	0.9
163.11169	1.5
165.12738	2.1
171.08058	1.3
175.11182	9.6
178.29848	0.8
183.08183	0.8
189.11195	1.4
193.12228	26.8
194.12567	0.8
195.08044	0.7
195.11707	0.9
211.11275	1.5
211.13254	14.1
211.98476	0.7
227.12630	0.8
229.14272	0.9
233.15416	1.3
249.14964	2.1
255.13774	1.9
267.15900	100.0
268.16241	2.5
273.14874	4.4
285.14023	1.4
285.16971	17.1
339.23111	1.4
341.21085	1.4
349.21533	3.0
367.22647	9.9
385.23694	10.3
403.24664	3.0
415.24411	1.4
433.25885	14.6
434.26157	1.0
441.26422	5.9
459.27377	67.9
460.27438	3.4
477.28467	40.6
477.35464	1.1
478.28900	1.8
519.29364	1.7
677.81030	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1851
Annotation	CHEBI:66133
Peak:m/z	Relative Intensity
64.86527	0.1
65.03933	1.8
68.47234	0.1
69.03426	1.7
69.93468	0.8
83.04963	0.3
91.05470	14.6
92.05797	0.2
93.07073	0.2
95.59388	0.2
98.20766	0.2
107.04932	0.4
111.04410	0.8
117.06977	0.2
119.04926	30.5
120.05252	0.4
121.02853	3.1
131.13580	0.1
133.06458	0.2
145.06433	0.2
147.04390	100.0
148.04723	1.7
155.09206	0.2
161.02338	0.2
177.01720	0.2
189.01909	0.2
195.02933	0.2
213.05334	0.2
227.07123	0.2
237.05374	0.2
251.09225	0.3
255.06474	0.2
255.19154	0.2
257.08093	0.4
265.04761	0.2
269.04688	0.2
283.05957	0.8
286.04651	0.4
287.05478	2.4
299.02365	0.3
299.05447	3.7
300.06125	0.8
311.05444	5.3
313.03568	0.2
313.07196	0.3
325.06949	0.4
329.06500	4.6
337.06979	0.7
339.04999	0.5
351.08563	0.9
353.06461	1.1
379.08102	3.5
397.09100	2.5
413.62216	0.2
415.10165	0.4
429.09598	1.1
439.13742	0.6
443.07510	0.3
457.08725	0.7
461.06674	0.2
473.08505	0.2
475.10449	1.8
480.53918	0.2
499.10254	0.4
525.11151	0.3
543.12897	0.3
561.13794	1.1
579.15204	0.8
660.49030	0.2
707.17078	0.3
725.18695	0.9
750.80188	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1856
Annotation	CHEBI:66133
Peak:m/z	Relative Intensity
53.49863	0.1
55.01855	0.1
55.05502	0.4
57.03442	0.1
62.25846	0.1
65.03927	1.6
67.05493	0.3
69.03421	1.1
70.03332	0.1
71.11366	0.2
71.11684	0.1
79.05490	0.2
81.07037	0.3
83.04972	0.7
91.05471	13.4
92.05795	0.2
93.07017	0.2
95.04972	0.3
95.08598	0.1
103.05445	0.1
105.03378	0.1
107.04924	0.3
109.02855	0.1
109.10144	0.2
111.04436	1.1
119.04929	28.4
120.05249	0.5
121.02859	3.2
123.04432	0.1
131.04895	0.2
133.02875	0.1
135.04385	0.1
145.06435	0.2
147.04393	100.0
148.04738	1.5
157.06451	0.1
161.02290	0.2
165.01790	0.2
165.05383	0.1
167.03403	0.1
169.04976	0.1
173.74330	0.1
175.03810	0.1
177.01820	0.3
181.06526	0.1
187.07465	0.1
189.01787	0.2
189.05580	0.1
191.03326	0.1
195.02846	0.1
197.06035	0.2
201.05574	0.1
202.15645	0.1
213.09064	0.1
215.03261	0.1
215.07074	0.2
217.05008	0.1
227.06900	0.1
229.05046	0.1
233.08012	0.2
237.05603	0.2
243.06500	0.2
245.04414	0.2
251.09138	0.4
255.06493	0.2
257.08093	0.5
259.05878	0.1
265.04974	0.2
269.17581	0.2
275.09058	0.2
283.05988	1.2
285.04071	0.2
286.04663	0.4
287.05444	3.1
287.08453	0.2
288.05911	0.2
295.05966	0.1
299.05460	2.9
300.06332	0.6
301.06796	0.1
309.07550	0.2
310.04581	0.2
311.05457	10.0
312.05923	0.2
313.03516	0.2
313.07080	0.2
315.04919	0.1
323.05475	0.2
323.09006	0.2
325.07013	0.4
327.04767	0.2
327.08505	0.2
329.06500	4.3
330.07001	0.1
337.06973	0.7
339.04929	0.4
351.04825	0.2
351.08569	1.0
353.06625	0.9
355.08084	0.2
361.06946	0.1
369.09671	0.1
369.37350	0.1
379.08087	4.0
397.09128	2.0
415.09866	0.4
423.27573	0.2
424.27728	0.1
429.09717	0.8
439.08475	0.1
439.13925	0.7
443.07639	0.1
457.08722	0.5
475.10208	2.3
499.10159	0.6
525.11646	0.2
543.13263	0.2
561.13989	0.8
579.15082	0.8
725.18280	1.3
725.37213	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1853
Annotation	CHEBI:66133
Peak:m/z	Relative Intensity
51.46672	0.1
60.75588	0.2
65.03935	1.6
67.98328	0.2
68.65809	0.2
69.00542	0.2
69.03420	1.7
69.53783	0.8
69.54197	0.3
83.04974	0.5
90.10870	0.2
91.05474	15.2
92.05789	0.3
95.04980	0.2
105.07008	0.2
107.04948	0.4
111.04441	0.9
119.04934	29.3
120.05252	0.4
121.02859	3.3
131.04865	0.2
139.54808	0.1
147.04398	100.0
148.04729	2.1
153.01820	0.2
157.06445	0.2
158.62773	0.1
159.04323	0.2
165.01831	0.2
177.01836	0.2
180.21878	0.2
185.05965	0.3
197.06070	0.2
213.05397	0.4
233.08154	0.2
237.05544	0.2
241.04868	0.2
247.07434	0.1
257.08163	0.4
258.05255	0.2
283.05856	0.6
286.04703	0.4
287.05499	4.6
288.05743	0.2
299.05502	3.5
300.06064	0.8
307.05920	0.2
310.88690	0.2
311.05481	4.7
313.03525	0.3
313.06805	0.2
315.05023	0.3
323.05542	0.3
325.06921	0.4
327.08734	0.2
329.06516	4.5
330.06729	0.3
337.06964	0.6
339.04971	0.5
351.08612	0.8
353.06589	0.9
371.07727	0.3
379.08060	3.4
397.09143	3.2
415.09793	0.6
429.09641	1.3
433.11020	0.2
439.14163	0.3
443.07462	0.2
457.09213	0.8
475.10358	1.7
543.12561	0.6
561.14240	1.1
579.15234	1.4
580.15082	0.2
725.18243	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72816	2.5
53.03922	11.6
53.89333	2.2
55.01854	7.9
55.05503	27.1
57.03434	25.8
57.07059	2.6
61.02924	40.4
63.15653	3.0
65.03926	3.4
67.05498	76.5
69.03412	23.0
69.07060	38.3
70.08378	13.1
71.04972	6.9
72.65596	2.8
73.02924	19.1
75.04452	2.6
79.05479	76.3
81.03413	21.5
81.06588	5.4
81.07047	100.0
82.07397	3.0
83.04974	21.9
83.08602	14.4
85.02893	55.5
85.06527	6.0
91.03941	32.4
91.05470	76.1
91.49426	2.6
93.07030	99.6
95.04961	17.4
95.08595	50.8
97.02877	34.5
97.06520	25.7
97.10156	4.6
98.21438	2.9
99.04441	5.6
99.08073	6.7
105.07018	66.7
107.04943	7.8
107.08572	64.0
109.02877	5.4
109.06504	6.2
109.10140	16.6
111.04451	3.8
111.08054	8.8
117.06987	24.6
119.08571	47.4
121.06486	8.1
121.10126	44.4
123.04420	4.9
123.08054	6.7
123.11672	7.6
125.09579	5.6
127.03896	20.2
129.05482	9.4
129.06998	12.6
130.07745	3.2
131.08545	24.8
133.10115	48.9
135.08037	7.4
135.11676	32.0
137.05962	6.3
137.09598	3.3
139.03825	3.0
143.08516	10.9
144.86052	2.7
145.02849	3.6
145.04871	13.7
145.10104	29.7
147.04419	3.0
147.08031	4.0
147.11655	34.9
149.09624	13.8
149.13232	35.7
151.03973	3.3
151.07510	3.5
151.11203	6.6
155.08545	3.0
157.10135	12.2
159.11688	30.4
161.09505	4.0
161.13240	24.6
163.05992	9.9
163.07396	4.0
163.11116	8.7
163.14803	5.0
167.06987	4.9
171.11646	12.8
173.13214	14.1
175.14752	10.8
177.05458	5.1
177.12715	10.0
179.14217	4.5
185.13255	10.8
187.11128	3.4
191.07083	2.8
195.13762	11.5
197.13274	2.9
199.14738	6.0
205.08678	3.2
207.06491	4.3
217.15883	4.4
227.12645	3.7
229.14026	4.0
239.17892	4.5
241.19508	17.4
247.20584	3.4
255.15704	3.5
257.18985	8.0
259.20544	50.4
263.28799	2.8
269.17441	90.4
275.20084	20.5
277.21606	6.3
333.24228	9.1
349.23715	30.0
351.25241	92.4
397.59995	2.7
459.27509	3.2
495.29465	5.6
533.81000	2.8
635.64087	2.8
671.16858	3.3
752.45258	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	726.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
55.05508	13.6
57.03432	14.2
57.07063	3.3
59.67418	1.1
61.02924	1.5
65.03914	1.1
67.05499	65.3
69.06714	1.6
69.07062	18.9
70.12354	2.1
70.12750	2.8
71.04982	3.9
71.46901	0.9
73.02896	1.5
79.05486	38.9
81.03403	2.2
81.07047	73.0
83.04961	4.5
83.08624	10.2
85.02891	2.7
85.06532	3.9
86.09702	1.2
91.05472	20.1
93.07034	59.7
95.04967	5.4
95.08595	35.6
95.09094	0.9
97.02904	2.1
97.06516	6.8
97.10130	2.9
98.21426	1.5
99.08073	2.0
105.07018	11.8
107.08589	30.1
109.06492	2.5
109.10164	11.0
111.08058	4.4
111.11701	1.6
117.07012	7.4
119.08585	5.4
121.06485	1.1
121.10135	26.7
123.11675	3.8
125.00005	1.4
131.08568	10.8
133.10114	8.7
135.08008	1.1
135.11681	12.2
145.10138	2.4
147.11667	5.3
149.13251	28.2
156.94910	1.0
157.10139	1.3
159.11667	9.6
161.13263	3.5
163.14807	2.4
167.14264	1.4
173.13239	2.6
175.14793	1.4
177.12714	5.8
181.15096	1.0
184.07327	6.0
195.13773	10.2
243.21213	2.4
261.22134	8.1
262.32349	1.4
269.17453	100.0
270.17862	1.7
317.24640	3.1
335.25772	56.8
336.25986	1.4
437.34171	1.6
455.35004	1.7
507.40710	1.3
529.38855	88.4
530.39063	4.6
547.39606	1.7
695.72662	1.2
726.44580	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2082
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
52.13856	0.4
54.93615	0.3
55.01850	0.3
57.03418	1.4
59.04980	0.4
59.06126	0.5
61.02903	0.6
67.05486	0.5
68.18318	0.3
68.99789	0.5
69.03419	5.0
71.01311	0.4
71.04986	7.6
71.52364	0.8
72.11393	0.3
75.04460	0.7
80.08965	0.3
81.03409	0.7
83.04981	1.9
85.02896	13.8
85.07642	0.6
87.04453	1.8
92.95213	0.4
95.04944	0.7
97.02883	4.6
99.04448	0.8
101.02345	0.4
101.66047	0.3
107.04896	0.4
109.02860	0.4
111.00793	0.4
111.04427	1.2
115.03909	3.5
116.87022	0.4
121.02847	1.4
123.04385	0.6
127.03916	1.0
129.05457	2.4
133.04938	1.7
135.04427	0.4
137.02333	0.7
137.05951	0.5
145.04926	0.9
147.04411	0.5
147.06537	1.1
153.01810	2.4
157.06488	0.4
165.01801	1.2
171.06407	0.8
183.02951	0.4
213.05426	0.9
217.32645	0.4
225.07512	0.9
231.06453	0.6
233.74391	0.4
241.04912	0.7
243.08662	0.4
247.56151	0.4
258.05292	0.6
261.09720	0.9
269.04443	0.4
287.05469	100.0
288.05701	2.0
299.05463	0.9
303.04947	1.1
329.06439	1.0
340.95593	0.4
401.81186	0.4
419.09445	0.8
428.70950	0.4
431.09363	0.4
449.10538	1.0
638.46307	0.4
727.28424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.1
56.05032	0.6
58.06361	0.2
58.06623	0.4
59.07395	0.1
60.08158	5.7
67.05497	0.3
70.06572	0.2
71.07367	3.3
72.09236	0.1
79.05480	0.3
81.07058	0.2
86.09697	29.5
87.10034	0.2
91.05452	0.1
92.13265	0.1
93.07026	0.2
95.08601	0.1
98.21631	0.2
98.98456	2.9
104.10725	2.4
116.99495	0.1
119.08578	0.1
124.99991	20.5
130.20479	0.1
131.08586	0.1
143.01065	0.5
145.23604	0.1
166.02696	0.2
184.07321	100.0
185.07703	0.9
187.14810	0.1
195.88431	0.1
303.04907	0.1
304.05276	0.1
305.05676	0.1
380.01147	0.1
394.42587	0.1
450.22891	0.1
485.88870	0.1
509.05090	0.1
518.32410	0.3
710.42902	0.1
728.44891	4.4
729.45166	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.7
58.06616	0.5
59.07366	0.1
59.33447	0.1
60.08155	6.1
67.05490	0.1
70.15643	0.3
71.07364	3.6
79.05481	0.2
81.07047	0.2
86.09694	32.5
87.10024	0.2
91.05470	0.2
93.07035	0.2
94.06505	0.1
95.08580	0.2
95.49031	0.1
98.98449	3.3
104.10726	2.1
109.10160	0.1
116.99491	0.1
124.99985	21.1
140.03078	0.1
143.01031	0.4
166.02663	0.2
184.07315	100.0
185.07672	0.6
205.84630	0.1
304.97098	0.1
396.56406	0.1
468.23569	0.3
500.31659	0.1
656.06689	0.1
728.44836	3.4
729.45239	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71478	2.3
55.01842	4.8
55.05495	10.9
57.03425	10.9
61.05787	2.7
65.77637	2.3
67.05171	4.2
67.05496	56.6
69.06700	2.8
69.07049	12.0
71.04965	2.5
71.53044	3.8
71.53396	3.4
79.05479	29.0
79.84618	2.2
81.03400	3.7
81.07043	49.5
82.43028	2.3
83.04968	6.1
83.08602	5.6
85.06519	5.0
86.09702	3.2
91.05475	34.2
93.07036	35.7
95.04959	5.6
95.08588	23.1
105.07021	25.1
107.08587	34.1
109.06511	5.3
109.09464	3.7
109.10145	43.0
113.06042	3.7
117.06989	4.8
119.08569	6.6
121.10133	6.7
123.11722	8.9
125.09625	2.6
127.07504	3.9
131.08502	5.7
133.10106	58.9
135.11636	4.7
147.11673	3.2
151.11131	22.7
164.48415	2.6
173.13310	4.3
227.56839	2.7
253.11638	5.3
253.14301	100.0
254.14836	2.8
261.22156	11.0
271.15381	26.8
296.17331	3.0
335.25787	51.2
337.10715	2.5
353.07065	2.6
513.35822	6.0
531.36700	52.2
535.26434	6.1
548.47137	2.9
591.28888	3.1
729.36047	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01874	0.7
55.05503	1.3
57.03434	1.8
59.04985	0.6
61.02924	4.6
67.05495	3.7
69.03427	3.7
69.07080	1.6
69.39812	0.3
71.04991	2.2
71.52380	0.5
71.52756	0.4
73.02911	3.3
79.05487	3.1
83.04961	1.7
83.08607	1.8
83.09055	0.3
85.02899	5.6
85.06550	0.6
87.04485	0.6
91.03944	3.4
91.05478	4.3
93.07040	3.3
95.04955	2.1
95.08600	2.3
97.02876	4.9
97.06541	1.0
97.10157	0.8
99.04437	1.2
99.08073	0.4
101.02371	1.4
103.03931	0.4
103.05483	0.4
105.07018	3.0
107.04945	1.4
107.08585	3.0
109.02879	1.4
109.06514	0.9
109.10182	1.0
111.04400	0.5
111.08085	1.2
117.07019	0.4
119.04938	0.4
119.08573	2.8
121.02875	0.4
121.06489	0.7
121.10136	3.3
123.04408	2.0
123.08068	0.7
123.11681	0.8
125.09621	0.5
125.20973	0.3
127.03927	2.4
129.07018	1.4
131.04924	0.7
131.08548	2.1
133.06490	0.7
133.10118	2.0
135.04411	0.6
135.11694	0.9
137.02371	0.3
137.05975	2.6
137.09579	0.5
139.03906	1.2
139.11188	0.5
140.03590	0.3
143.08600	0.4
145.02890	0.4
145.10124	0.9
147.04422	1.1
147.08078	0.4
147.11690	2.2
149.05969	0.6
149.09622	2.1
151.03894	1.2
151.07539	0.6
151.11226	0.5
157.10056	2.1
159.08125	0.4
159.11687	0.7
161.05963	0.7
161.09636	0.3
163.03915	1.5
163.11252	0.5
165.05487	0.5
165.12808	0.5
167.03421	0.5
167.07039	1.2
167.93187	0.3
175.03970	0.7
175.07518	0.6
175.11160	1.5
177.05460	1.6
179.07069	0.4
181.05043	0.7
185.04237	0.7
187.07527	0.6
193.12236	2.9
201.05403	0.4
203.05205	0.4
207.06564	1.2
211.13329	0.7
219.10123	0.4
225.14795	0.6
243.08310	2.9
247.06090	0.5
251.12657	1.0
267.15912	1.0
271.06104	0.4
283.06378	0.4
283.15115	3.7
287.05521	0.6
299.05615	1.0
307.15448	0.7
311.13055	0.3
339.17670	0.6
341.14020	0.4
346.22397	0.4
439.17563	0.6
439.54730	0.5
469.20453	11.1
501.23016	9.8
502.23236	0.4
567.31354	0.8
577.21069	0.4
669.38177	1.3
729.36554	100.0
730.36975	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	730.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.6
58.06622	0.5
59.07390	0.2
60.08157	6.3
67.05491	0.3
69.07050	0.1
69.40279	0.8
70.06573	0.2
71.06979	0.2
71.07368	3.3
81.03382	0.1
81.07050	0.3
83.08609	0.1
84.11285	0.1
86.09697	31.4
87.10013	0.5
91.05502	0.1
93.07013	0.1
95.04965	0.1
95.08589	0.2
98.98454	3.2
104.10740	2.3
105.07013	0.1
107.08604	0.1
111.91389	0.1
116.99515	0.1
124.99991	21.0
126.00355	0.2
129.39267	0.1
130.21062	0.1
143.01068	0.3
146.00896	0.1
151.07585	0.1
166.02614	0.1
184.07321	100.0
185.07671	1.4
207.88319	0.1
217.95566	0.1
380.83597	0.1
468.23651	0.1
520.34418	0.2
537.22217	0.4
544.83411	0.1
611.91980	0.1
730.46454	4.9
731.46954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.6
58.06306	0.2
58.06618	0.5
59.07116	0.1
59.07379	0.2
60.08155	6.3
65.46320	0.1
67.05479	0.3
68.86943	0.1
69.17443	0.1
69.57350	0.2
69.57769	0.4
70.06565	0.1
70.57001	0.1
71.07363	3.5
71.40734	0.1
72.49608	0.1
79.05497	0.2
80.97424	0.1
81.07027	0.2
85.02911	0.1
86.09695	30.5
87.10015	0.4
91.05475	0.1
92.88263	0.1
93.07027	0.1
95.08577	0.1
98.98449	3.3
104.10731	2.4
107.08557	0.1
124.99987	20.8
143.01042	0.3
166.02660	0.1
184.07317	100.0
185.07683	1.0
188.23534	0.1
298.46597	0.1
314.85300	0.1
450.22653	0.1
468.23532	0.2
489.27353	0.1
730.46399	3.8
731.46057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.6
57.03419	1.8
61.02925	5.2
67.05505	6.9
69.03412	2.5
69.07061	1.9
71.41999	0.8
71.52827	0.9
71.53305	1.0
71.94315	0.7
73.02905	4.5
78.91284	0.6
79.05469	2.9
80.32513	0.7
81.03417	1.1
81.07062	6.6
83.08589	1.1
85.02898	5.6
91.03936	2.2
91.05481	2.3
93.07042	5.0
95.08603	3.1
97.02899	4.5
101.02396	1.7
102.92898	0.8
105.07028	1.4
107.08588	2.9
109.02888	1.1
109.10153	1.3
121.10151	2.3
127.03915	1.2
133.10107	0.7
149.13257	1.5
181.17650	0.8
193.12170	0.9
243.08371	1.7
395.31808	0.8
453.21005	5.0
464.31085	0.8
519.29340	6.0
731.43353	100.0
732.43439	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	732.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.5
58.06604	0.4
60.08158	6.0
60.22072	0.2
66.40563	0.2
67.05494	0.4
69.27978	0.8
69.28396	1.4
71.07368	3.2
81.07048	0.3
86.09697	30.4
89.06053	0.5
95.08588	0.2
98.98448	2.9
104.10730	2.3
124.99988	20.2
133.08601	0.3
138.28310	0.2
143.01045	0.3
151.07518	0.3
165.05421	0.3
165.09070	0.4
179.10760	0.3
184.07320	100.0
185.07681	0.8
191.15816	0.2
191.96002	0.2
227.04002	0.3
296.27301	0.3
468.23145	0.3
536.68506	0.3
732.47766	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	737.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
54.43884	1.3
55.01868	9.3
55.05507	15.5
57.03437	19.8
57.07077	2.0
63.33933	1.5
65.03953	4.3
67.05499	55.2
68.13232	1.3
69.03427	9.9
69.07058	9.8
69.33441	12.5
69.33846	3.0
71.04993	5.4
72.55727	1.4
78.53326	1.3
79.05060	2.5
79.05492	33.1
81.03413	51.3
81.07047	29.4
83.04970	13.7
83.08611	15.4
83.84922	1.2
85.02905	9.0
85.06532	9.2
91.05476	36.8
91.06021	2.8
93.07035	27.4
95.04961	67.5
95.08600	14.7
97.02882	11.7
97.06511	7.6
97.10175	4.4
98.20782	2.9
99.04433	3.0
103.05458	1.7
105.07024	29.4
107.04954	13.9
107.08592	18.9
109.02851	8.6
109.06511	56.0
109.10165	6.7
111.04418	7.8
111.08052	8.1
112.87419	1.5
113.06003	27.8
115.05457	3.0
117.07019	12.0
119.04945	2.9
119.08566	17.9
121.06501	7.2
121.10140	10.8
123.04417	2.9
123.08073	5.5
123.11679	2.6
125.09584	1.9
127.03910	5.9
128.06261	3.8
129.05444	1.9
129.06985	13.1
131.08551	20.7
133.06516	4.3
133.10126	11.4
135.08041	40.8
135.08997	2.8
135.11661	8.4
137.06015	2.7
137.09616	2.2
139.03894	2.9
141.06943	1.7
142.07782	2.6
143.08568	10.0
145.06454	3.0
145.10115	13.5
147.04456	4.1
147.08044	7.7
147.11636	8.2
149.09592	9.8
149.13266	3.4
151.07515	1.9
151.11140	1.5
155.08607	1.9
157.10114	11.6
159.08044	2.5
159.11696	5.3
161.09583	7.3
163.03920	1.8
163.11180	7.7
165.09100	2.1
165.12813	2.0
167.06982	2.0
169.10133	3.6
171.11726	4.9
173.04462	2.5
173.09622	2.0
173.13181	2.9
175.11192	7.1
177.09146	1.7
177.12756	4.5
184.07364	1.5
185.13193	2.2
187.11128	1.5
191.10551	2.4
193.12230	18.4
199.11240	2.6
199.14732	2.2
209.11646	2.3
211.13257	30.0
217.15855	11.2
227.12756	3.0
227.17836	1.5
245.19026	2.3
255.17505	3.6
267.15936	19.5
273.15463	2.0
273.18472	38.0
279.15884	2.0
285.16925	11.6
291.19510	100.0
292.19864	1.8
309.20697	1.7
347.22119	10.0
347.75400	1.7
355.17407	3.9
365.23218	20.6
411.20187	2.4
429.21155	25.5
503.44342	1.7
535.70947	1.6
539.33728	8.4
557.34705	28.8
558.34515	1.9
575.35797	10.4
605.17358	1.5
701.38605	5.9
719.40247	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	737.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.9
55.05507	32.5
57.03427	11.7
59.04975	3.5
59.99567	3.2
61.02919	23.6
65.03913	3.6
67.05499	65.5
68.51207	3.0
69.03415	14.3
69.07059	20.7
70.39065	10.2
70.39426	4.5
71.04976	13.9
71.52000	2.8
73.02899	8.7
79.05481	47.6
81.03407	20.6
81.07044	49.3
83.04968	10.8
83.08608	15.3
83.80712	3.1
84.80611	3.1
85.02915	20.1
85.06516	6.0
87.72069	2.9
91.03948	9.8
91.05459	37.8
93.07037	49.0
95.04964	15.0
95.08596	33.4
97.02892	22.0
97.06518	8.7
97.10148	16.5
105.07021	44.2
107.04948	7.6
107.08578	30.0
109.02860	4.6
109.06480	6.4
109.08153	2.8
109.10136	24.7
113.31458	3.3
115.05417	5.2
117.07012	24.5
119.05048	3.0
119.08556	36.1
121.06517	7.8
121.10115	19.8
123.08039	5.3
123.11668	4.5
125.09636	10.4
125.29035	3.1
127.03918	5.3
128.06177	6.1
129.07013	16.4
131.08542	30.3
133.10114	22.7
135.08014	9.6
135.11676	10.6
139.07510	3.6
141.07004	7.2
142.07706	5.3
143.08517	21.5
145.10104	23.8
147.08040	9.1
147.11668	11.2
149.09592	6.3
149.13292	4.9
151.07529	8.2
155.08534	14.1
157.10095	24.3
159.08113	3.6
159.11682	27.0
161.09641	4.9
161.13266	7.0
163.07501	4.9
163.11147	5.4
165.09064	7.4
167.06912	5.4
167.08301	3.2
167.10649	4.1
169.10089	16.6
171.11607	17.6
173.09608	6.8
173.13246	11.1
175.11147	7.9
175.14755	5.2
181.10115	6.6
183.11661	11.0
185.13226	15.0
187.11244	4.2
187.14775	7.0
189.11174	6.7
193.10130	3.5
193.12195	3.4
195.10135	7.1
195.11705	10.7
197.13205	11.1
199.14815	7.6
205.10176	3.2
207.11717	4.5
209.13312	6.4
211.13239	5.2
213.12560	3.6
221.13239	3.5
223.14801	3.9
227.12756	13.3
257.19159	3.7
265.19220	3.3
267.15717	3.7
273.18518	6.8
275.20090	3.7
283.20493	4.2
285.22101	5.0
291.19519	8.1
299.23495	7.1
347.22296	3.9
395.26572	3.3
415.30081	3.6
421.25626	3.5
429.20663	4.4
433.30862	17.6
443.27661	4.8
451.32092	12.5
507.34644	11.7
517.35175	25.2
525.35675	69.3
543.36804	100.0
557.38531	25.0
567.36566	4.7
575.39410	33.1
679.39960	4.5
737.41791	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	738.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60716	0.2
56.05030	0.6
57.07048	0.2
58.06359	0.2
58.06622	0.4
59.07382	0.1
60.08160	5.7
63.43594	0.1
64.02042	0.1
67.05498	0.3
69.07050	0.2
70.06562	0.2
71.07368	3.0
71.52451	0.1
72.90689	0.2
81.07047	0.2
83.08645	0.2
86.09698	28.8
87.10000	0.2
91.05485	0.3
93.07076	0.2
98.98457	2.5
104.10746	2.1
105.07018	0.1
112.45963	0.1
124.99992	19.1
125.23316	0.1
126.22990	0.2
143.01038	0.2
153.90660	0.1
184.07324	100.0
185.07672	0.9
189.45042	0.2
267.15640	0.2
313.27240	0.2
462.51224	0.1
505.38583	0.3
597.47809	0.2
688.45398	7.0
689.45264	0.3
729.96857	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	15.2
55.01872	45.5
55.05510	48.3
57.03432	19.4
57.07079	4.2
61.02927	20.1
61.72464	3.6
65.03926	8.4
67.05506	74.4
68.11333	3.5
69.03423	23.4
69.07060	29.2
71.01328	3.7
71.04993	14.7
71.52338	4.7
71.52728	4.5
73.02908	10.5
79.05488	93.8
81.03408	81.7
81.07053	93.7
83.04982	29.7
83.08610	34.0
85.02899	44.4
85.06532	5.6
91.03947	10.9
91.04897	5.8
91.05475	100.0
92.27883	3.2
93.07038	63.5
95.04961	40.5
95.08598	43.7
96.15074	3.4
97.02881	22.7
97.06525	54.7
97.10184	19.1
99.04454	6.8
103.05447	5.8
105.07029	76.8
107.04953	28.6
107.08585	62.4
109.02916	7.3
109.06525	17.2
109.10139	21.5
111.04422	5.6
111.08070	11.0
113.05996	4.7
115.05421	4.1
117.07003	15.7
119.08570	55.6
121.06497	12.4
121.10130	33.0
123.04420	6.7
123.08060	11.1
123.11677	6.3
125.09583	22.6
127.03915	4.7
129.05457	4.2
129.06993	23.4
131.08571	38.2
133.06502	7.7
133.10117	40.7
135.08034	10.9
135.11690	9.2
137.06047	4.1
137.09653	8.8
139.07552	5.2
141.07016	4.2
142.07735	6.4
143.08578	8.7
145.06473	5.2
145.10101	35.4
147.04449	4.9
147.08055	6.2
147.11699	37.7
149.09608	34.5
149.13261	4.4
151.07527	4.0
151.11224	5.5
153.12694	4.2
155.08542	6.3
157.10165	24.0
157.11292	4.9
159.08081	5.8
159.11690	14.7
161.09679	4.1
161.13275	8.4
163.07533	4.2
163.11201	14.1
165.09111	5.1
165.12753	7.7
169.10153	5.4
171.10295	5.1
171.11711	9.0
173.09427	4.2
173.13237	9.2
175.11172	16.4
177.12735	4.8
179.10625	4.5
183.11742	6.2
185.13213	4.4
189.11235	12.3
193.12236	51.7
195.10228	5.5
211.13271	81.0
227.12727	36.6
229.14319	4.3
257.19077	14.9
259.66599	4.0
267.15836	36.9
275.20038	83.1
285.16922	72.0
293.21170	6.9
308.79074	3.9
331.22366	4.9
349.23724	61.6
381.22516	7.0
437.25235	7.9
455.26355	5.6
461.28772	5.0
463.30472	9.6
467.31931	3.9
474.58774	4.4
477.27795	3.7
479.30133	8.4
523.34302	4.6
541.35193	26.9
559.36279	46.6
577.37292	29.8
685.38873	4.1
739.41345	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	740.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.01868	8.5
55.05506	42.9
56.05817	1.1
57.03434	29.2
57.07066	1.5
59.05000	35.8
61.02927	6.2
64.85384	1.1
65.03928	4.3
67.05499	100.0
68.05827	2.2
69.03420	8.1
69.07059	14.4
71.04990	16.6
71.14115	1.2
73.02921	2.5
77.03890	1.0
79.05487	47.3
79.32751	1.5
81.03412	70.3
81.07050	49.8
83.04971	22.5
83.08611	33.5
85.02898	31.0
85.06520	3.6
86.09718	1.1
87.04460	44.7
91.03941	1.2
91.05472	47.9
92.05803	1.1
93.07034	28.6
95.04961	31.2
95.08593	22.1
97.02895	9.2
97.06511	5.2
97.10160	19.1
99.04444	17.8
99.08086	2.9
101.06009	1.2
105.04474	1.2
105.07021	28.6
106.53630	1.1
106.65932	1.2
107.04952	13.9
107.08578	15.1
107.61191	1.2
109.02898	2.4
109.06496	7.8
109.10146	65.2
110.10519	1.5
111.04441	6.4
111.08067	15.0
113.05995	3.7
115.05440	3.1
117.07012	4.5
119.04921	2.4
119.08576	24.0
121.06512	3.2
121.10133	13.9
123.08055	4.1
123.11669	1.7
125.09617	14.7
127.03898	2.1
129.06992	12.2
131.08546	14.0
133.06490	3.9
133.10129	14.9
135.08076	1.9
135.11674	3.6
137.05936	2.6
137.09593	5.1
139.07411	1.2
142.07773	3.5
145.10109	5.7
147.04379	2.6
147.08008	4.4
147.11674	17.0
149.09599	7.0
151.11211	1.3
153.12727	4.5
155.08536	1.3
155.10638	3.9
157.10136	15.8
161.05957	1.2
163.11151	7.5
165.12759	2.6
167.08521	1.3
173.04601	1.3
173.09592	2.4
173.10080	1.8
173.11728	23.6
175.11147	15.4
177.05428	1.9
181.12231	3.2
189.11142	1.6
191.10580	3.1
193.12222	58.6
194.12593	2.7
199.13272	10.2
209.11710	4.5
211.13278	83.9
212.13594	2.2
217.14304	1.8
223.13245	2.0
227.12790	7.0
229.14333	72.3
230.14558	1.4
231.64087	1.1
241.14357	5.7
243.09430	1.1
245.88326	1.4
247.13205	1.8
249.15021	2.1
265.14258	1.4
267.15897	33.9
268.16107	1.7
283.15341	5.0
285.16946	50.3
286.17236	1.7
287.05371	1.2
313.16473	2.5
315.11819	1.3
315.17944	8.7
326.61746	1.1
333.19165	1.1
353.67130	1.2
362.05270	1.1
383.22110	1.5
409.25720	5.0
421.25824	22.6
427.26987	7.3
439.26883	95.4
440.26999	4.7
463.49594	1.3
475.26688	3.6
493.28006	2.7
507.29214	1.6
511.29550	1.4
525.30475	6.6
543.31360	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	740.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89106	0.5
53.03905	2.4
53.04134	0.5
55.01834	1.6
55.05507	9.8
57.03428	7.6
57.07043	1.2
61.02899	1.3
63.95394	0.5
65.03901	1.2
67.05498	33.3
69.07061	10.0
69.28394	5.8
71.04948	1.8
76.32953	0.5
79.05484	28.4
80.05771	0.5
81.03374	1.3
81.07047	34.2
83.04971	3.2
83.08609	7.6
85.02867	0.8
85.06487	1.6
85.39026	0.5
86.09639	0.7
91.04988	0.8
91.05468	9.5
93.07035	37.2
95.04967	4.7
95.08595	39.4
97.02895	2.7
97.06503	2.8
97.10123	1.4
98.20788	1.3
99.04401	1.9
103.95137	0.5
105.07021	8.8
107.04959	4.5
107.08582	24.2
108.32787	0.6
109.06468	1.9
109.09462	0.7
109.10143	9.0
110.37965	0.5
111.04382	1.3
111.08054	1.3
117.06994	7.0
119.08566	9.3
121.06502	4.1
121.09329	0.9
121.10127	13.5
123.08024	1.0
123.11655	2.2
125.05928	2.2
130.07750	0.9
131.08614	3.8
133.10118	5.4
135.08014	1.5
135.11674	36.4
136.11975	0.6
137.13225	1.3
139.07503	1.2
145.10103	19.4
147.11632	1.9
149.13176	2.5
159.11617	1.9
161.13231	1.8
163.11165	38.2
163.14735	0.9
164.11494	0.8
169.17712	0.6
173.09570	0.7
173.13211	1.6
175.14809	0.7
181.12210	5.8
184.07309	2.9
201.16127	0.6
209.11755	1.1
227.12755	50.4
228.13057	0.6
243.21033	2.1
261.22134	6.5
283.15372	48.7
284.15735	1.0
302.94601	0.7
306.28110	0.5
317.24689	1.7
335.25760	100.0
336.26157	2.8
391.60016	0.6
543.36761	77.9
544.37097	5.3
599.50507	1.2
722.90887	0.7
774.98590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50230	0.6
53.03924	2.2
55.01865	3.2
55.05506	15.6
57.03426	10.7
57.07056	1.2
61.02897	2.0
65.03922	1.1
67.05495	44.9
69.03398	1.1
69.06726	1.1
69.07058	13.2
69.28148	2.9
69.28577	4.2
71.04993	3.3
71.08617	0.9
73.02905	1.5
77.03886	0.7
79.05482	40.4
80.05800	0.9
81.03389	2.7
81.07043	47.5
83.04958	3.7
83.08604	10.0
85.02872	1.1
85.06505	2.0
85.94283	0.7
86.09679	1.1
91.05469	16.8
93.07030	58.1
94.07327	0.8
95.04961	8.2
95.08594	58.3
96.08929	1.0
97.02856	4.4
97.06522	5.4
97.10125	1.9
99.04436	4.2
99.07964	0.7
105.07014	14.7
107.04934	8.5
107.08578	38.0
109.06483	3.0
109.10135	12.8
111.04408	1.3
111.08052	1.6
115.05392	0.7
117.06997	10.7
119.08571	13.0
121.06496	6.5
121.10130	22.6
123.08058	1.1
123.11663	2.9
125.05968	2.0
130.07759	1.6
131.08551	4.8
133.10110	6.7
135.07993	2.5
135.11671	54.1
136.11983	1.6
137.13229	0.7
139.07520	2.2
145.10100	34.5
146.10416	1.4
147.11650	2.7
149.13257	3.8
149.48320	0.6
151.07573	1.1
153.08734	0.7
153.12738	1.1
159.11684	2.1
161.13234	2.4
163.11154	67.5
164.11571	1.6
173.09605	1.1
173.13274	1.4
181.12207	10.0
184.07330	2.3
187.14816	1.3
191.10667	0.8
209.11705	1.2
216.49226	0.7
220.72159	0.7
227.12750	86.0
228.13170	2.3
229.28392	0.7
243.20981	2.1
257.47156	0.7
261.22079	8.2
273.91751	0.7
283.15363	100.0
284.15680	2.6
317.24814	2.6
335.25751	93.7
336.26028	5.3
543.36737	82.1
543.43182	1.7
544.36938	6.1
599.49933	4.9
713.03094	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1799
Annotation	STENOPALUSTROSIDE A
Peak:m/z	Relative Intensity
55.05501	0.3
55.13512	0.2
65.03924	1.7
67.05486	0.5
69.03428	1.3
70.77439	0.7
71.08624	0.2
79.05479	0.4
81.03400	0.6
81.07043	0.8
81.23743	0.2
83.04967	0.8
83.08609	0.2
91.05470	13.2
93.07051	0.6
95.04964	0.4
95.08611	0.3
105.07001	0.3
107.04930	0.7
107.08579	0.3
111.04443	0.7
117.03342	0.4
117.07018	0.3
119.04929	28.3
120.05241	0.5
121.02850	0.7
121.06544	0.3
123.04439	0.3
133.06427	0.3
135.04390	0.6
135.11674	0.3
137.02351	2.1
137.05939	0.3
139.03857	0.2
145.02798	0.5
147.04391	100.0
148.04749	1.7
151.07639	0.2
157.06337	0.2
161.02365	0.3
161.05984	0.2
163.03893	3.5
167.03366	0.2
169.06396	0.2
173.05957	0.4
177.01822	0.3
177.05469	0.3
189.01881	0.4
191.69057	0.2
197.05873	0.2
217.04883	0.3
251.09067	0.6
253.04901	0.4
257.04504	0.3
257.08112	0.7
271.05887	0.2
275.08948	0.3
281.04608	0.2
283.05539	0.2
287.05438	0.3
299.05463	1.4
301.03326	0.3
302.03983	0.4
303.04944	1.4
311.05414	0.7
315.04953	2.4
316.05630	0.4
327.04935	8.0
329.06549	0.6
341.06512	0.4
343.08081	0.3
345.05988	3.1
353.06372	0.7
355.04507	0.4
367.07919	0.7
369.05936	0.7
379.08124	0.2
395.07626	2.8
406.61591	0.2
413.08554	1.8
431.08911	0.3
439.13745	0.7
445.09021	0.6
461.28763	0.8
462.29266	0.6
473.08450	0.8
491.09784	2.0
515.09717	0.7
541.11255	0.2
559.11816	0.3
577.13049	0.5
595.14203	0.7
741.17584	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2022
Annotation	Kaempferol 3-rhamnosyl-(1->6)(2''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
53.53044	0.1
55.05505	0.3
60.89049	0.1
65.03933	0.6
67.05492	0.2
69.03423	0.8
70.15600	0.1
71.05003	0.1
71.52550	0.3
79.05495	0.3
81.03426	0.3
81.07045	0.4
83.04974	1.3
85.02886	0.9
91.05473	5.9
93.07049	0.2
93.85027	0.1
95.04964	0.4
95.08601	0.2
96.79823	0.1
97.02882	0.2
105.07074	0.2
107.04951	0.4
107.08570	0.2
109.02864	0.3
109.10148	0.2
111.04421	1.0
119.04932	16.9
120.05262	0.3
121.02875	0.3
121.10118	0.2
121.38419	0.1
123.04427	0.4
127.03904	1.0
129.05507	0.2
131.04929	0.2
133.06509	0.2
133.10165	0.1
135.04401	0.3
135.11711	0.2
137.05940	0.5
139.03891	0.2
143.08562	0.2
145.02858	0.3
145.04967	0.2
147.04398	100.0
148.04720	1.7
151.03915	0.3
153.01822	0.3
161.05984	0.3
163.03880	0.2
163.07568	0.2
165.05463	1.2
167.07034	0.5
171.08183	0.2
175.03905	0.2
175.07492	0.2
177.05452	0.4
185.05988	0.2
189.05399	0.1
193.08684	0.2
201.05434	0.3
205.08818	0.2
207.06543	0.4
231.06448	0.2
275.09079	0.8
275.60132	0.1
283.06018	0.1
287.05478	6.6
288.05701	0.3
291.08585	0.7
293.10172	2.4
299.05502	0.3
309.09573	1.7
329.06738	0.1
430.84094	0.1
455.15506	1.8
536.04443	0.2
541.68561	0.1
579.14636	0.3
741.39532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2021
Annotation	Epicatechin-(4beta->8)-epicatechin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03939	1.2
54.94002	0.7
55.01865	2.0
55.52961	0.7
56.96568	0.8
58.27485	0.7
65.03928	1.4
67.05505	1.0
68.99779	5.3
69.03416	2.1
70.21804	0.8
71.43766	0.8
71.44098	1.0
71.51021	0.7
81.03400	4.1
85.02889	7.7
89.03906	1.4
95.04977	2.1
97.02885	2.9
97.88314	0.7
99.04472	1.1
103.05434	0.9
107.04937	3.9
109.02854	5.1
111.00802	2.8
111.04435	6.2
117.03342	0.9
119.04960	1.1
121.02863	1.4
123.04417	46.9
127.03905	100.0
128.04219	1.0
131.04912	2.7
132.33299	0.8
135.04399	36.5
137.02330	8.3
137.05954	1.5
139.03891	61.3
140.61058	0.7
145.04974	1.1
145.06512	0.9
147.04401	8.6
149.02336	3.9
149.05986	2.4
151.01289	0.8
151.03897	15.3
155.03392	0.8
155.04938	1.4
158.24937	0.7
159.04393	3.2
161.05928	4.6
163.03885	47.1
164.04274	1.2
165.01785	0.8
165.05475	6.9
167.03380	6.0
167.07027	1.0
169.05026	1.2
169.06448	1.3
173.06032	4.0
175.03915	3.1
175.07610	0.9
177.05424	4.9
179.03406	6.5
179.06972	1.1
181.04968	1.6
181.06528	0.8
183.04399	1.6
185.05986	1.6
187.03854	7.4
187.07439	1.1
189.05444	2.4
191.03383	11.3
193.04985	3.3
197.06017	4.2
199.07663	0.8
201.05440	8.7
203.03375	7.7
203.07063	1.1
205.04955	4.3
207.06535	1.2
213.05472	3.1
215.03430	1.2
215.07034	2.9
217.04967	1.6
225.05484	1.6
227.07002	1.4
229.04941	9.4
231.06538	3.2
233.04402	5.3
237.05473	1.5
241.04843	1.6
243.06499	4.8
245.04411	4.8
247.06003	34.8
251.05461	2.1
255.06560	2.6
257.04434	11.5
258.05118	1.0
259.05994	10.1
261.07489	2.9
265.04883	1.7
269.04410	3.0
271.05975	21.6
271.08792	1.2
272.06393	0.9
273.07501	5.7
275.05460	14.0
283.05908	10.9
283.08658	1.0
285.04282	0.7
285.07568	2.0
287.05478	14.9
288.05939	1.0
289.07025	43.0
291.08597	8.8
295.06009	1.2
299.05365	3.4
301.06964	18.3
302.07208	1.0
303.08698	2.7
311.05475	0.8
313.07053	2.2
315.08289	0.8
323.09125	0.8
325.07077	1.1
331.08228	1.0
341.06601	1.0
355.08176	1.3
372.77686	0.9
379.08093	1.0
391.09851	2.5
393.09735	1.0
409.09091	21.2
411.10593	2.8
427.10263	12.3
433.10599	0.8
435.10767	1.3
439.10101	1.0
451.10510	1.0
453.11914	2.7
579.14996	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2219
Annotation	Kaempferol 3-isorhamninoside
Peak:m/z	Relative Intensity
51.77050	0.3
52.51961	0.3
53.03918	0.3
55.05485	0.5
57.03426	2.5
61.02925	0.3
62.97045	0.3
63.46502	0.3
67.54533	0.3
68.99804	0.4
69.03424	2.4
71.04601	0.7
71.04988	13.3
71.27921	0.7
73.02905	1.9
75.04443	0.8
77.14990	0.3
79.05473	0.4
81.03421	0.7
83.04971	3.2
85.02899	19.8
87.04469	0.5
95.04960	0.7
97.02884	1.4
97.06545	0.3
99.04450	0.9
107.04906	0.3
109.02887	0.6
111.00800	0.6
111.04424	2.1
117.05488	0.8
121.02863	2.1
127.03903	0.8
129.05463	5.6
133.02841	0.4
135.04440	0.3
137.02312	0.6
139.03903	0.5
145.04924	0.4
147.04437	0.4
147.06488	2.0
153.01785	2.1
153.05440	0.8
161.05908	0.3
163.06047	0.7
165.01857	0.9
171.06499	0.5
183.02882	0.8
185.05899	0.4
209.36385	0.3
213.05460	1.3
231.06477	0.4
239.09045	0.6
241.04805	0.4
241.68103	0.3
257.10236	0.4
258.05255	0.8
259.05988	0.5
275.11288	0.4
287.05472	100.0
288.05746	1.6
293.12503	0.3
299.05545	0.8
311.05441	0.4
329.06601	1.9
353.06683	0.5
354.60977	0.3
379.07959	0.4
397.09158	1.1
400.05411	0.3
415.10114	0.4
433.11389	2.0
449.10706	1.1
508.77429	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
54.04432	0.8
55.01863	2.2
55.05262	1.4
55.05505	17.7
57.03434	12.9
57.07063	1.6
57.93355	0.9
59.04989	1.0
61.02910	3.6
65.03931	1.6
67.05499	44.7
69.03423	3.5
69.07059	12.4
70.65800	2.7
71.04981	4.4
73.02896	1.6
77.03877	1.0
79.05486	33.5
81.03413	43.7
81.07049	42.7
83.04979	12.4
83.08613	20.0
85.02895	19.4
85.06522	1.6
91.03958	1.6
91.05472	29.8
93.07035	32.2
93.07631	1.8
95.04965	20.7
95.08596	27.9
97.02885	4.7
97.06513	2.6
97.10146	3.8
98.66191	0.9
99.08093	1.6
105.07024	20.9
107.04950	6.5
107.08585	14.3
109.06506	4.7
109.10150	11.5
111.04430	1.7
111.08079	10.1
111.21452	0.8
113.05991	1.5
114.75424	0.9
115.05499	0.9
117.07011	4.2
119.08572	15.9
121.06490	1.2
121.09327	1.2
121.10136	15.7
121.11004	0.9
123.08055	2.4
123.11716	4.4
129.07004	8.8
131.08551	13.7
133.06415	1.3
133.10127	12.8
135.11691	6.9
137.09587	1.5
137.13263	1.0
142.07767	2.0
143.08557	1.1
145.10088	5.6
147.08026	2.9
147.11678	13.9
149.09616	5.6
149.13263	3.5
157.10118	10.0
159.11696	2.9
161.13255	2.9
163.14868	1.6
165.12720	3.0
171.11601	1.2
173.13283	2.6
175.11179	11.9
187.14818	2.3
193.10411	1.6
193.12227	46.0
211.13278	78.8
212.13699	2.1
226.14845	1.0
227.12834	1.3
243.21056	3.5
261.22165	11.5
267.15891	13.8
285.16940	84.9
286.17377	2.5
317.24780	3.3
335.25769	79.3
336.26132	2.6
350.81122	0.9
435.32556	2.5
453.33267	2.2
471.33990	1.4
518.42023	1.0
527.37347	12.9
541.11304	0.9
545.38330	100.0
546.38843	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	742.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.01865	3.9
55.05505	25.1
57.03434	17.9
57.07058	2.2
59.04991	1.1
61.02921	4.3
65.03942	4.1
67.05499	67.1
68.05837	1.1
68.89545	0.7
69.03416	5.5
69.07060	19.1
69.83281	4.4
71.05000	6.2
73.02895	1.1
74.09689	0.7
77.03909	0.7
79.05486	51.8
81.03410	57.8
81.07046	64.4
82.07367	1.1
83.04979	14.7
83.08614	22.8
85.02898	27.3
85.05538	0.7
85.06530	3.2
91.03930	2.1
91.05472	44.6
93.07035	53.7
94.07343	1.1
95.04957	25.6
95.08597	40.1
97.02878	5.0
97.06519	5.2
97.10155	5.3
99.08070	2.0
100.69317	0.8
103.05422	0.9
105.04520	0.7
105.07024	32.8
107.04961	6.6
107.08582	26.4
109.06500	5.6
109.10155	16.6
111.04432	1.8
111.08064	9.0
113.06004	1.7
115.05437	1.9
117.07005	5.8
119.04878	0.8
119.08566	27.2
121.06474	1.3
121.10133	21.5
123.08041	3.2
123.11694	5.0
125.09601	1.6
128.06209	0.9
129.06992	10.6
131.08557	18.3
133.06445	2.2
133.10115	14.7
135.08069	1.4
135.11682	9.4
137.09587	2.0
137.13268	0.9
139.62132	0.7
141.07083	0.8
142.07715	2.0
145.10110	6.8
147.08034	2.5
147.11684	15.2
147.31850	0.8
149.09598	6.7
149.13211	5.6
157.10112	12.9
159.11664	4.0
161.13246	3.4
163.11169	1.0
163.14809	1.9
165.12747	2.5
173.13274	3.1
175.11185	11.4
175.14650	1.4
177.16351	0.8
184.07330	1.3
187.14803	1.6
193.12221	37.9
194.12500	0.9
211.13264	52.2
212.13586	2.0
227.12766	1.6
243.21065	3.7
261.22131	10.6
267.15878	14.1
285.16940	57.1
286.17316	2.3
301.25208	0.9
302.57098	0.8
317.24637	2.7
335.25769	92.6
336.26102	4.5
432.46667	0.9
435.32471	1.6
472.56818	0.8
527.37213	13.2
545.38312	100.0
546.38733	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	743.2019
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
53.03932	0.2
55.01865	0.3
55.05499	0.4
57.03194	0.2
57.03431	2.7
59.04964	0.3
61.02913	0.5
65.03915	0.2
67.05490	0.2
68.99777	0.5
69.03423	4.9
71.01337	0.3
71.04986	8.1
71.51366	0.4
73.02906	0.8
75.04463	0.8
79.05465	0.2
81.03396	0.6
81.56494	0.2
83.04964	1.7
85.02898	12.8
87.04464	1.9
90.89603	0.2
93.03387	0.2
95.04934	0.4
97.02289	0.4
97.02884	5.4
99.04432	0.8
103.03951	0.2
109.02878	0.6
111.00785	0.8
111.04429	1.5
113.05998	0.3
115.03915	3.7
121.02852	0.8
123.04395	0.5
127.03911	1.4
129.05469	3.2
133.04950	2.2
135.04402	0.6
137.02327	2.8
137.05934	0.5
139.03896	0.4
145.04935	1.0
147.06522	1.5
149.02373	0.3
149.04463	0.5
153.00705	0.3
153.01804	2.5
161.05945	0.2
163.03908	0.8
165.01816	1.9
166.02606	0.4
171.06497	0.6
179.03296	0.3
183.02899	0.6
187.03917	0.3
195.02872	0.4
201.05434	1.3
207.06422	0.3
219.02908	0.2
219.06473	0.4
225.07585	0.8
229.04964	3.5
231.23978	0.2
243.08629	0.6
247.05998	0.8
257.04388	2.0
261.09601	1.1
274.04675	0.8
279.11002	0.2
285.03894	0.9
287.05466	0.3
303.04953	100.0
304.05234	1.4
315.04892	0.5
327.05014	0.3
345.06039	1.0
369.06171	0.3
381.05341	0.2
395.68362	0.2
405.24908	0.2
435.09402	0.7
465.10291	1.5
599.83405	0.2
698.40149	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	14.1
57.03424	11.4
59.04991	2.9
61.02902	3.5
65.03951	3.5
67.05497	99.5
69.03407	3.1
69.07067	15.1
70.17168	6.8
70.17593	4.5
71.04977	18.7
79.05488	37.6
81.03397	6.5
81.07053	50.5
83.04981	5.9
83.08606	11.3
85.02902	4.8
85.06523	3.3
91.05478	29.8
93.07030	49.8
95.04957	7.6
95.08595	40.2
97.06535	3.3
97.10170	5.0
99.08081	3.3
105.07024	15.9
107.08566	19.5
109.06460	3.3
109.10141	62.0
111.08041	2.9
117.07008	5.1
119.08567	19.1
121.10148	15.2
123.11660	2.9
128.00163	2.4
131.08539	9.8
133.10132	9.4
135.11674	15.8
137.09612	8.4
145.10147	6.0
147.11714	5.5
149.13228	4.8
152.70963	2.4
159.11734	4.6
163.11172	4.2
163.14729	3.0
173.11740	5.0
173.13168	3.1
181.12193	3.9
184.07327	6.2
211.13373	5.1
243.15741	3.7
252.25635	2.9
285.16977	6.6
287.18359	16.2
335.25772	28.5
337.27283	4.6
450.31882	2.9
489.35718	100.0
490.36191	5.4
515.37305	10.9
547.39941	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.2
56.05024	0.6
58.06359	0.2
58.06617	0.4
60.08158	6.0
61.45934	0.2
62.41697	0.2
67.05471	0.2
69.74145	0.9
69.84371	0.1
71.07365	3.4
76.73421	0.2
77.49834	0.1
79.05464	0.3
81.07016	0.3
81.31886	0.1
85.02844	0.2
86.00713	0.2
86.09697	31.6
86.92034	0.2
87.10030	0.3
91.05471	0.4
98.20786	0.2
98.98457	3.3
104.10735	2.0
124.99992	19.9
143.01050	0.3
151.07477	0.2
184.07323	100.0
185.07651	0.6
346.23883	0.2
468.23395	0.3
728.44916	7.3
729.44977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.6
58.06623	0.4
59.07398	0.1
60.08159	5.9
67.05489	0.5
70.42326	0.4
71.07369	3.2
79.05487	0.4
80.11428	0.1
81.07056	0.2
86.09698	30.7
87.10024	0.2
91.05470	0.2
93.07032	0.2
95.08595	0.2
98.98456	2.8
104.10731	2.6
124.99992	20.0
143.01044	0.5
165.09125	0.2
180.03029	0.1
184.07323	100.0
185.07652	0.6
384.84241	0.1
518.32013	0.3
728.44910	7.6
729.45599	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
55.05497	1.5
57.03434	2.1
61.02645	0.4
61.02923	5.0
61.83072	0.3
67.05496	4.4
69.03425	4.1
69.07066	1.2
70.10323	1.3
71.01369	0.4
71.04971	0.9
73.02911	4.7
78.97256	0.3
79.05495	3.6
81.03407	4.1
81.07048	4.6
83.08611	1.3
85.02898	6.7
86.09704	0.9
87.04474	0.4
91.03946	3.7
91.05470	3.7
93.07038	3.9
95.04978	1.8
95.08595	2.3
97.02874	5.1
97.06512	0.4
99.04433	0.9
101.02371	2.6
103.03969	0.4
105.07031	1.8
107.04953	0.5
107.08565	2.0
109.02894	1.0
109.10159	0.7
111.04375	0.4
111.08084	0.5
114.04583	0.3
115.03940	0.6
119.08563	1.9
121.10118	1.6
123.11691	0.4
124.99963	0.7
127.03924	1.3
129.07019	0.6
131.08543	1.2
133.06528	0.3
133.10147	0.9
135.11696	0.8
135.59496	0.3
147.11722	1.2
149.13295	0.5
151.07542	0.4
152.70250	0.4
157.10109	0.8
175.11159	0.7
178.51227	0.3
184.07324	3.8
185.04193	0.6
193.12213	1.0
211.13364	0.7
243.08430	1.9
251.12599	1.0
295.09232	0.3
306.65533	0.5
335.25656	0.7
383.10019	0.3
469.20432	9.1
473.80716	0.3
504.87830	0.3
519.29163	4.5
680.95190	0.4
747.42798	100.0
748.43011	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	747.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.01859	0.4
55.05508	1.6
57.03427	2.3
61.02919	6.1
65.03934	0.4
67.05182	0.4
67.05502	5.1
69.03425	3.5
69.07064	1.3
71.01353	0.4
71.04971	1.0
73.02910	4.5
79.05482	4.3
81.03417	3.2
81.07047	5.7
83.08599	0.7
85.02901	6.1
86.09695	0.7
87.04465	0.5
91.03937	4.0
91.05472	3.2
93.07036	4.4
95.04966	0.9
95.08603	3.3
97.02888	5.6
97.06498	0.5
97.10191	0.4
99.04456	1.2
101.02368	2.4
105.06990	1.9
107.08584	1.9
109.02862	0.9
109.10160	1.5
111.08094	0.4
115.03935	0.5
117.07018	0.5
119.08549	1.8
119.73772	0.3
121.10123	1.4
123.11694	0.4
125.00015	0.6
127.03907	1.7
131.08574	1.2
133.10150	1.0
135.11697	1.0
145.10048	0.5
147.11703	1.1
157.10143	0.6
161.13286	0.3
175.11215	0.3
184.07333	3.4
185.04271	0.4
193.12274	0.5
203.05275	0.4
211.13194	0.3
243.08397	2.2
251.12590	1.1
257.38116	0.3
269.12488	0.4
307.15295	0.3
335.25949	0.7
445.89011	0.4
462.30334	0.3
462.39468	0.3
469.20367	3.7
497.30795	0.3
519.29285	8.3
520.29572	0.5
747.42810	100.0
748.42981	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	749.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.3
55.01854	7.2
55.05516	19.3
55.92779	3.3
56.71704	4.1
57.03418	18.5
57.06822	5.6
57.07072	54.6
65.84782	4.0
67.05493	39.4
69.03416	8.2
69.07050	17.2
71.05001	4.7
71.08624	35.6
73.02888	4.1
78.23329	3.6
79.05472	16.8
81.03411	98.7
81.07047	52.9
83.04983	20.2
83.08607	38.3
85.02880	11.7
85.10178	21.9
91.05473	23.3
93.07036	19.7
94.04202	9.3
95.04960	28.8
95.08600	40.1
97.06496	11.4
97.10151	11.6
99.04427	4.9
105.07014	19.8
107.04931	9.6
107.08580	9.0
109.02863	10.3
109.06490	9.7
109.10152	17.2
111.04418	16.3
111.08059	9.5
117.06994	4.8
119.08603	26.9
121.10151	9.4
123.04403	4.3
123.11693	9.6
124.73963	4.2
129.07004	13.8
131.08559	10.9
133.10139	10.6
137.05989	32.1
137.13263	5.8
138.06276	8.7
142.07756	4.7
147.11703	21.7
149.09641	5.6
157.10117	17.2
165.12659	7.5
172.89885	3.7
175.11171	18.5
183.46393	4.6
183.86864	4.0
191.00047	4.5
193.12218	65.9
209.18863	4.1
211.13293	69.1
227.12793	5.7
235.13226	7.5
237.81467	4.6
239.23677	13.7
257.24557	4.6
267.15897	64.6
268.16193	4.4
277.17926	12.5
278.18283	7.4
285.16943	13.0
309.17004	4.2
313.27332	100.0
313.30737	7.8
314.27454	7.7
340.68024	3.9
364.99850	3.9
382.41971	4.0
419.13510	7.9
465.89032	4.5
493.17484	21.1
505.38712	59.4
523.39923	61.3
590.45227	24.5
608.45721	7.1
749.41217	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	751.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	16.2
56.96552	6.2
57.56776	2.9
68.99790	4.1
69.52151	6.6
69.52560	16.2
71.17662	3.0
81.03417	3.6
83.01305	4.6
83.22485	3.0
85.02911	6.5
91.05473	3.9
95.04952	3.2
97.02910	3.5
98.20748	6.0
98.97550	11.7
109.02863	4.4
111.04472	3.1
113.27476	2.9
116.98618	8.5
119.01920	5.1
119.04950	5.4
121.41849	2.9
122.42041	2.6
123.04420	79.3
127.03919	18.9
128.98654	4.5
134.99654	6.3
135.04395	4.9
137.05948	4.1
139.03889	78.1
146.99646	4.5
147.04396	14.7
158.99681	3.7
161.06021	8.3
163.03868	14.8
171.04420	4.9
173.05977	5.1
179.03395	18.0
179.07025	3.2
187.03937	6.8
197.06009	4.0
199.03795	3.4
201.05441	12.6
211.03889	4.6
213.05536	12.1
215.03542	3.3
217.70508	3.3
219.01778	9.1
225.05434	8.4
227.03491	5.3
227.07066	4.6
229.04961	7.9
235.04054	4.4
237.00699	3.6
237.02826	11.3
237.05426	8.2
239.03427	4.1
239.07024	4.5
241.04941	13.4
249.05586	3.0
251.03392	5.8
251.06992	6.3
253.04987	15.0
255.06544	7.5
257.04404	14.6
259.06165	5.6
265.04950	11.0
267.02911	11.4
267.06488	6.7
269.01761	6.0
269.04416	38.6
270.05270	5.5
271.05981	9.8
279.02869	7.1
279.06622	6.4
281.04440	22.0
282.05011	5.3
283.02481	8.0
283.05960	18.2
285.03842	15.5
291.06546	5.7
293.04449	12.3
295.02286	8.6
295.05872	13.6
296.03149	4.5
297.03903	26.0
298.04761	4.2
299.05441	23.6
307.02615	7.3
307.06082	9.9
309.04001	20.6
309.07269	5.5
311.05411	22.8
315.04810	6.4
319.05948	7.9
321.03976	5.6
323.01733	8.8
323.05573	12.5
325.03436	25.0
325.06879	5.2
327.05075	11.8
333.03741	4.1
335.05508	9.2
337.03403	10.8
337.07019	5.6
339.05017	11.4
341.06650	4.2
343.04456	8.7
345.03778	3.7
347.05460	7.1
349.03421	3.3
351.05084	6.9
351.46719	3.2
353.06454	3.0
355.04602	9.8
363.04938	4.2
365.06656	6.5
367.04382	9.4
369.05875	8.7
375.04663	3.7
381.06113	7.3
383.04074	8.7
387.11264	4.2
389.06653	3.9
393.06143	5.2
393.11145	5.3
397.05383	14.5
401.06744	4.3
403.07370	4.3
407.07904	3.7
409.05463	12.1
415.06430	51.0
416.06763	4.8
417.06036	5.7
427.06531	15.1
431.06183	6.1
433.07556	5.0
437.04825	6.9
443.06580	4.9
455.05728	15.8
457.06592	5.7
473.00848	5.8
473.07172	92.7
475.06476	4.8
535.08398	11.4
536.09149	3.9
545.06818	6.1
549.10046	12.5
553.09515	16.9
561.10126	5.3
563.07959	18.1
565.09857	9.5
567.11023	8.9
581.09253	52.8
582.09583	4.2
583.10974	23.0
589.09290	5.3
599.10223	100.0
607.10669	11.8
715.12805	8.7
733.13690	6.6
740.83588	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	751.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.6
58.49288	2.8
67.05508	2.4
68.99782	4.0
70.66138	3.6
70.66474	3.9
83.01338	5.7
111.04409	6.0
123.04424	89.1
123.05321	4.4
125.63031	2.1
127.03899	11.1
127.51628	2.7
135.04414	3.8
139.03893	78.9
145.06670	2.3
147.04381	4.3
151.03854	5.3
155.03374	2.7
161.05988	5.2
163.03914	10.6
173.05920	5.6
177.05472	3.3
179.03394	18.5
181.06581	2.8
187.03908	6.8
188.04663	2.2
197.05962	6.0
199.03886	3.2
201.05446	6.4
209.05974	2.7
211.03880	5.3
213.05476	10.0
215.03358	3.4
217.04956	2.9
225.05441	5.9
227.03418	3.8
228.04164	4.1
229.04942	7.4
237.05420	7.4
239.03461	5.5
240.04178	4.0
241.04967	12.1
242.05685	5.1
243.06563	3.3
251.03400	5.7
251.07068	3.2
253.04918	17.4
255.02962	3.8
255.06424	4.9
257.04440	20.4
258.05280	6.6
259.05896	5.3
265.04971	10.7
267.02893	15.3
267.06186	4.1
268.03610	3.7
269.04422	34.2
270.05228	3.6
271.05954	12.4
273.03906	3.0
277.04962	6.1
279.02841	6.7
279.06601	6.6
281.04379	24.3
282.05063	5.3
283.02417	11.0
283.05997	19.8
284.03369	2.7
285.03961	20.9
287.05502	5.3
291.06415	3.8
293.04382	8.1
295.02441	6.3
295.06012	17.2
296.03149	7.4
297.03949	28.5
298.04459	5.9
299.05469	29.7
305.04398	4.6
307.02423	4.8
307.05957	8.9
309.03851	18.1
311.01974	5.1
311.05463	16.3
313.03506	5.6
319.06027	6.6
321.03918	6.6
323.01862	14.7
323.05472	12.4
324.02545	4.9
325.03503	20.1
325.07114	4.1
327.04938	11.9
331.05783	2.9
335.05484	15.7
337.03400	8.3
337.07016	3.2
339.04877	12.0
341.02933	3.6
341.06531	4.5
343.04446	15.3
347.05453	6.5
349.07162	3.2
351.04907	10.3
353.02716	4.4
355.04541	13.6
363.04968	5.8
365.06680	5.8
367.04456	7.9
369.06052	7.3
379.04587	6.8
381.06277	8.3
383.03976	11.9
385.05804	3.3
387.06937	5.6
389.06506	4.4
393.05923	3.7
395.04437	3.5
397.05618	26.6
399.05197	3.9
401.06516	4.2
403.06683	9.8
409.05438	9.5
415.06589	79.4
417.05667	3.3
427.06549	7.6
431.06857	5.3
433.07880	15.7
435.07062	3.7
451.06485	5.4
455.06161	11.2
457.06833	9.7
461.07492	5.6
473.07178	61.0
475.06531	4.8
493.07428	2.9
521.07465	5.0
529.07874	3.4
535.08594	15.9
545.06946	4.1
547.08704	5.7
549.10162	7.8
553.09735	17.1
563.08258	18.5
565.09583	8.3
567.11572	3.0
579.11218	3.1
581.09204	54.6
583.10718	42.7
589.09277	3.2
599.10272	100.0
607.10309	3.5
715.12817	8.2
733.14050	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	751.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.0
55.01855	9.5
71.52084	3.5
83.01313	3.5
111.04449	6.8
123.04420	69.1
123.20906	2.5
127.03868	5.8
128.58182	3.1
135.04440	3.1
137.02327	4.4
139.03891	93.3
140.04297	3.2
147.04393	7.0
151.03883	7.8
161.06046	3.9
163.03860	12.5
169.06467	3.2
170.79097	2.9
178.75291	2.8
179.03358	19.3
181.06563	3.3
181.45956	2.8
182.96558	3.3
185.05933	4.1
187.03830	5.0
197.05995	5.7
201.05489	4.9
211.03894	5.5
213.05542	7.0
225.05472	9.7
227.03572	4.0
229.04970	8.3
237.05461	6.0
239.03311	7.9
240.04204	6.0
241.05087	7.6
251.03412	4.8
253.04890	15.5
257.04477	19.4
258.05197	6.4
265.04984	6.6
267.02811	13.9
267.06308	6.0
268.03574	4.2
268.13312	3.1
269.04401	35.0
270.05167	7.6
271.06027	11.1
279.06519	6.0
281.04453	25.2
282.04953	4.0
283.02396	11.8
283.05994	16.5
285.03922	19.4
287.05371	3.9
293.04556	6.5
295.02411	10.9
295.05981	17.1
296.03061	7.4
297.03854	21.0
297.07272	5.3
298.04550	5.1
299.05499	26.3
307.02396	5.3
307.05948	8.7
309.03806	19.7
311.05389	16.2
313.03442	5.4
319.05780	5.1
321.03922	5.9
323.01776	13.9
323.05463	10.6
324.02606	3.8
325.03439	22.2
325.06860	5.7
327.04938	12.3
330.93509	3.4
333.03680	4.4
335.05435	10.0
337.03232	9.7
337.06989	4.4
339.05072	8.1
341.06619	5.5
343.04544	9.9
347.05380	6.3
349.03476	3.6
351.04837	9.7
353.06488	5.6
355.04495	11.5
363.04752	4.7
365.06668	5.0
367.04565	9.0
369.05948	9.8
379.04559	4.6
381.06082	3.8
383.03906	12.7
387.07150	6.2
397.05511	25.9
401.06238	4.2
403.06885	9.8
409.05264	3.7
413.05838	3.4
415.06570	88.1
417.06189	5.5
427.06369	7.1
431.06424	5.4
433.07605	15.8
443.06534	3.7
455.05991	12.1
457.05655	6.5
461.07141	6.1
473.07129	59.8
475.06702	5.5
489.08038	5.1
501.08325	3.3
517.07098	3.6
535.08405	13.8
545.07208	3.6
547.08563	5.0
549.10492	4.0
553.09875	18.3
563.07794	15.6
565.09711	3.7
581.09222	52.9
582.09430	3.6
583.10663	33.2
599.10284	100.0
607.10358	6.6
646.78235	3.5
697.10809	3.8
715.12439	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	751.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
56.96556	3.4
58.99866	1.7
69.03419	3.0
71.52015	0.9
77.00898	1.7
81.03400	1.4
82.10976	1.1
82.99895	1.3
85.02895	4.1
89.03924	2.2
91.05486	1.9
97.02893	3.3
98.97579	3.1
99.04495	1.5
101.00852	6.4
107.04939	2.1
109.02876	3.4
115.02460	1.5
116.98626	3.0
117.03376	8.0
119.01916	29.5
119.04946	2.9
121.01692	1.0
123.04406	6.9
127.03907	4.2
128.98602	1.8
131.01900	9.4
131.04906	1.5
133.03531	2.0
134.99625	2.2
135.04399	4.0
137.03004	5.0
139.03902	4.0
143.01884	19.7
145.02725	32.3
146.99623	1.9
147.01367	2.4
147.04378	9.5
149.05945	2.6
151.03873	2.0
155.01886	12.8
157.03467	6.5
158.99713	1.3
159.01393	1.4
161.01106	1.4
161.01396	1.4
161.02968	27.0
163.03802	8.4
163.07579	1.9
167.01953	4.5
167.07027	2.2
169.03464	4.0
170.99683	1.6
171.05029	2.3
173.01445	1.9
173.02946	23.1
174.03027	1.2
175.02899	1.0
175.04524	4.0
177.05457	100.0
178.05835	2.1
179.01933	2.9
181.03430	2.0
183.04935	1.3
184.04581	2.1
185.02957	31.5
187.04504	6.1
189.00757	3.0
189.02432	1.7
191.03973	2.1
193.03430	1.2
194.04185	2.2
196.04665	1.3
197.02925	15.3
199.04459	1.3
201.00665	3.1
201.02422	1.4
203.02243	1.5
203.03976	15.1
207.05075	1.1
208.04408	1.6
209.03154	1.2
209.06458	1.3
212.05370	2.0
215.03970	8.4
217.03477	1.9
219.01778	3.5
219.05423	1.7
220.02200	3.6
221.02927	6.0
221.05077	3.7
223.04594	2.5
223.06601	1.2
225.06065	2.4
227.03905	7.2
234.03676	2.6
235.04526	20.3
237.02815	1.9
238.03194	3.5
239.02161	2.2
241.05551	1.3
244.02211	3.3
245.05043	66.7
246.05374	3.3
247.04695	1.9
248.05309	1.3
249.06114	1.2
252.04752	1.7
253.05563	6.8
257.05026	4.5
259.04550	17.9
260.04898	1.1
261.02710	1.7
262.03223	10.1
263.03696	2.0
263.06036	8.3
265.05585	1.4
267.07269	1.7
271.04105	1.6
271.06903	7.2
273.08102	1.4
275.03217	1.4
275.06052	7.4
277.00137	1.1
277.05701	16.6
279.03812	1.9
283.06299	1.2
285.04486	3.2
287.05231	1.2
289.05557	2.6
291.03687	2.3
291.07108	4.2
293.04288	1.6
293.07446	2.2
295.06689	29.1
296.06799	1.9
299.03818	5.8
303.07239	1.8
305.07184	6.1
309.08218	4.8
313.07672	6.1
317.05099	4.0
319.06604	3.8
321.08078	1.9
323.05457	1.4
323.09738	3.2
325.07587	1.6
329.05090	1.2
331.06622	2.4
335.04672	1.5
335.08313	1.6
337.07507	6.0
338.61972	1.2
347.09641	1.3
349.07672	2.7
359.04846	2.5
361.07498	2.4
365.09509	8.2
367.08768	6.0
377.05811	6.6
379.08749	9.5
381.06738	2.5
383.10538	1.4
385.09756	1.3
389.06818	2.1
391.04907	9.7
395.06528	2.9
397.09552	6.4
407.12146	1.8
409.05347	2.1
409.10391	6.8
415.10840	1.7
419.08093	3.0
425.13107	2.6
427.06531	5.1
433.06271	3.9
435.07556	2.2
445.07922	1.4
451.07126	22.0
452.07639	1.5
461.09219	9.4
463.07056	3.6
467.09427	1.0
469.08044	20.1
470.08627	2.0
473.07614	1.2
479.10229	4.3
481.08270	7.6
487.09171	2.5
499.08777	1.5
511.09622	3.2
529.10480	1.7
535.09515	3.5
545.11633	2.7
553.10168	10.8
557.11884	1.2
559.14716	3.0
571.11505	5.9
589.12482	1.7
599.10199	1.7
715.15430	1.4
733.16400	2.5
751.18237	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06730	0.6
55.01858	1.1
57.03430	0.9
61.02917	11.7
64.33945	0.5
65.03940	0.6
68.99784	4.4
69.03417	3.6
70.92374	0.9
70.92714	0.8
73.02917	2.5
80.17076	0.5
81.03416	2.9
85.02893	11.4
91.03950	5.8
91.05473	0.6
93.03374	0.9
95.04959	0.7
97.02873	5.9
99.04430	1.3
107.04931	1.8
109.02867	2.4
111.00803	2.8
111.04449	3.2
117.03400	0.9
121.02878	1.5
123.04418	18.0
127.03902	26.2
131.04926	1.0
135.04396	15.1
137.02324	15.2
137.03322	0.7
137.05939	2.1
139.03880	7.9
140.10796	0.6
143.04861	0.5
145.02899	0.9
145.04938	1.1
145.06483	1.0
147.04404	1.1
149.02328	2.4
151.03894	4.1
153.01825	3.6
155.04895	1.5
159.04387	1.5
161.02359	1.0
161.05974	2.0
163.03889	20.8
163.05237	1.3
165.01834	2.6
167.03404	1.3
173.05966	3.3
175.03833	0.6
177.01807	0.6
177.05449	1.2
179.03363	0.8
183.02875	1.3
183.04405	1.6
185.06006	0.8
187.03835	3.2
191.03433	0.7
193.04855	0.7
195.02945	1.1
197.06024	1.4
201.05460	5.8
203.03432	2.5
205.01418	0.8
205.04985	1.2
211.03909	0.8
213.05571	1.1
215.03348	6.9
215.06934	1.2
217.01428	1.0
217.04985	0.9
219.06482	0.8
225.05502	0.9
227.03322	4.6
229.01343	0.9
229.04913	9.6
229.07024	0.8
231.02890	1.1
231.06554	1.1
241.04991	0.7
243.02864	1.5
243.06551	1.6
245.04356	3.9
247.05994	27.0
253.04843	0.7
255.02940	0.7
257.04419	6.5
259.05923	0.8
259.10272	1.0
261.07373	0.6
269.04486	1.6
271.02417	12.5
271.06021	8.8
273.03937	1.1
274.04697	1.0
281.04327	1.4
283.02316	1.5
285.03897	38.6
286.04370	0.9
287.05521	1.6
289.03455	26.5
289.07047	8.7
290.03909	0.9
295.05884	0.9
297.03940	1.3
299.05511	2.6
301.03369	1.6
301.06848	0.9
302.04065	2.7
303.04947	73.3
304.05344	2.3
309.03979	0.8
313.03403	1.6
313.06918	1.1
315.04938	14.3
316.05777	2.3
325.07019	1.0
327.04907	1.4
329.06671	1.5
336.82443	0.6
339.04962	1.4
343.04697	1.1
345.06009	18.4
346.06601	1.0
351.05173	0.9
353.06610	2.0
355.04449	4.0
355.08203	0.8
377.06354	1.1
397.05438	1.1
403.14194	0.8
421.05560	5.2
423.06985	7.0
435.07132	1.3
437.08371	1.5
439.06558	13.0
447.06821	0.9
449.06964	1.2
451.06540	6.5
451.12500	1.0
463.06845	1.4
465.08530	1.4
475.08737	0.7
554.08905	0.6
573.10187	5.0
583.11163	0.8
591.11249	100.0
592.11578	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	753.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06730	0.6
55.01858	1.1
57.03430	0.9
61.02917	11.7
64.33945	0.5
65.03940	0.6
68.99784	4.4
69.03417	3.6
70.92374	0.9
70.92714	0.8
73.02917	2.5
80.17076	0.5
81.03416	2.9
85.02893	11.4
91.03950	5.8
91.05473	0.6
93.03374	0.9
95.04959	0.7
97.02873	5.9
99.04430	1.3
107.04931	1.8
109.02867	2.4
111.00803	2.8
111.04449	3.2
117.03400	0.9
121.02878	1.5
123.04418	18.0
127.03902	26.2
131.04926	1.0
135.04396	15.1
137.02324	15.2
137.03322	0.7
137.05939	2.1
139.03880	7.9
140.10796	0.6
143.04861	0.5
145.02899	0.9
145.04938	1.1
145.06483	1.0
147.04404	1.1
149.02328	2.4
151.03894	4.1
153.01825	3.6
155.04895	1.5
159.04387	1.5
161.02359	1.0
161.05974	2.0
163.03889	20.8
163.05237	1.3
165.01834	2.6
167.03404	1.3
173.05966	3.3
175.03833	0.6
177.01807	0.6
177.05449	1.2
179.03363	0.8
183.02875	1.3
183.04405	1.6
185.06006	0.8
187.03835	3.2
191.03433	0.7
193.04855	0.7
195.02945	1.1
197.06024	1.4
201.05460	5.8
203.03432	2.5
205.01418	0.8
205.04985	1.2
211.03909	0.8
213.05571	1.1
215.03348	6.9
215.06934	1.2
217.01428	1.0
217.04985	0.9
219.06482	0.8
225.05502	0.9
227.03322	4.6
229.01343	0.9
229.04913	9.6
229.07024	0.8
231.02890	1.1
231.06554	1.1
241.04991	0.7
243.02864	1.5
243.06551	1.6
245.04356	3.9
247.05994	27.0
253.04843	0.7
255.02940	0.7
257.04419	6.5
259.05923	0.8
259.10272	1.0
261.07373	0.6
269.04486	1.6
271.02417	12.5
271.06021	8.8
273.03937	1.1
274.04697	1.0
281.04327	1.4
283.02316	1.5
285.03897	38.6
286.04370	0.9
287.05521	1.6
289.03455	26.5
289.07047	8.7
290.03909	0.9
295.05884	0.9
297.03940	1.3
299.05511	2.6
301.03369	1.6
301.06848	0.9
302.04065	2.7
303.04947	73.3
304.05344	2.3
309.03979	0.8
313.03403	1.6
313.06918	1.1
315.04938	14.3
316.05777	2.3
325.07019	1.0
327.04907	1.4
329.06671	1.5
336.82443	0.6
339.04962	1.4
343.04697	1.1
345.06009	18.4
346.06601	1.0
351.05173	0.9
353.06610	2.0
355.04449	4.0
355.08203	0.8
377.06354	1.1
397.05438	1.1
403.14194	0.8
421.05560	5.2
423.06985	7.0
435.07132	1.3
437.08371	1.5
439.06558	13.0
447.06821	0.9
449.06964	1.2
451.06540	6.5
451.12500	1.0
463.06845	1.4
465.08530	1.4
475.08737	0.7
554.08905	0.6
573.10187	5.0
583.11163	0.8
591.11249	100.0
592.11578	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	753.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	16.5
55.01858	15.5
55.05502	40.5
57.03433	25.5
65.03925	7.9
67.05491	93.7
69.03409	20.3
69.07050	30.4
71.01322	6.1
71.04980	7.9
71.52499	5.5
71.52840	5.4
79.05482	78.7
80.09736	5.4
81.03407	100.0
81.07039	72.1
83.04982	35.9
83.08611	32.9
85.02883	15.4
85.06512	6.1
91.05474	89.8
93.07042	66.2
95.04958	84.7
95.08592	55.5
97.02879	27.0
97.06506	9.8
97.10159	9.4
99.04454	9.7
99.08056	5.8
105.04498	9.8
105.07018	71.1
107.04948	71.4
107.08574	22.7
109.02886	10.4
109.06499	38.0
109.10126	23.0
111.04400	17.4
111.08039	20.3
112.05217	7.3
113.06004	11.9
115.05432	12.4
117.07015	26.3
119.04908	10.1
119.08562	44.6
121.06488	20.5
121.10101	24.4
122.07252	15.8
123.04417	13.8
123.08089	5.2
125.05949	9.6
127.03895	13.0
128.06172	7.7
129.07004	26.8
131.04880	8.4
131.08546	39.4
133.06483	24.8
133.10094	21.2
135.04332	7.1
135.08014	19.2
135.11639	15.9
139.03893	9.2
139.11133	4.8
142.07721	6.2
143.08528	14.0
144.09296	4.7
145.06438	16.7
145.10089	20.6
147.04401	9.8
147.08020	35.8
147.11661	22.0
149.09602	14.4
149.13240	10.1
151.07535	8.7
155.08525	8.0
157.10068	10.5
159.07993	6.1
159.11626	15.1
161.09656	24.1
163.03850	6.6
163.11140	13.0
165.05417	5.7
165.09148	12.5
171.11671	12.2
173.09521	5.5
173.11781	6.6
173.13348	5.3
175.07523	5.8
175.11176	21.4
177.12708	10.0
179.17633	6.1
185.13271	8.0
187.11128	17.1
193.12239	29.6
199.17459	4.8
201.12648	5.0
207.13780	5.5
211.13304	46.4
229.14124	7.0
233.15320	16.0
267.15857	30.1
273.18420	23.9
279.15915	13.2
285.16989	10.7
289.17984	12.4
290.18787	16.4
291.19363	10.5
307.19000	6.4
335.18350	5.5
381.22681	36.4
429.21027	13.4
515.29828	10.6
539.71918	5.2
573.33783	24.7
591.35504	7.1
735.39087	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.1
55.05508	32.5
55.05721	5.5
57.03437	9.6
57.07051	5.9
58.25143	4.6
65.03989	5.1
67.05503	79.8
69.03407	5.5
69.07057	25.2
71.04965	4.8
71.52321	7.7
79.05489	92.2
80.86801	5.4
81.07047	75.3
83.04967	14.5
83.08615	14.3
84.74747	5.0
85.06506	5.1
88.98389	4.9
91.05474	99.6
93.07037	96.4
95.04959	20.7
95.08604	60.5
97.10144	9.7
99.08130	5.6
105.07026	100.0
107.04960	11.5
107.08607	44.8
109.06516	7.4
109.10132	15.4
117.07025	31.1
119.08575	69.7
121.06487	10.9
121.10141	15.2
123.08070	6.3
128.60362	5.3
129.07011	27.1
131.08577	24.7
133.10120	41.1
135.08096	8.6
135.11697	17.1
143.08554	23.4
144.37906	5.9
145.10135	30.8
147.11679	57.9
149.13243	11.7
151.07469	6.5
157.10091	10.5
159.11691	16.7
161.09599	6.7
161.13226	34.4
163.07536	8.0
171.11678	30.0
173.13284	10.0
175.14839	11.4
177.09355	5.4
184.07372	14.9
185.13263	10.9
187.14760	6.6
189.12700	10.6
195.10153	9.5
207.13806	17.2
226.53552	6.4
241.14590	6.1
241.19557	34.4
259.20569	60.5
278.00763	5.7
279.15866	20.3
281.17453	76.5
315.23160	9.4
333.24240	50.4
465.33658	6.1
539.37280	76.7
557.38440	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	756.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01855	3.3
55.05267	1.0
55.05506	12.8
57.03434	8.1
59.04993	1.7
60.71601	0.6
65.03924	1.5
66.62585	0.7
67.05498	17.2
69.03416	3.4
69.07059	4.2
71.04973	3.6
71.53062	1.1
79.05482	16.9
81.03409	43.8
81.07050	16.9
81.22491	0.7
83.04968	4.3
83.08607	13.1
85.02893	1.1
85.06547	1.4
87.80504	0.7
91.05477	14.0
93.07034	14.4
95.04952	18.7
95.08582	8.0
97.02863	1.4
97.06515	3.1
97.10152	13.4
99.04490	0.7
103.05411	1.2
105.07019	12.4
107.04942	12.4
107.08570	11.4
109.02843	1.0
109.06496	6.5
109.10159	4.2
111.04404	1.7
111.08074	4.0
115.05434	1.3
115.96828	0.7
117.07013	4.1
119.04893	1.7
119.08570	9.6
121.06509	8.3
121.10133	5.6
123.04414	2.7
123.08034	3.8
123.11731	1.1
125.05981	0.9
125.09612	12.2
129.06981	7.3
131.04938	2.1
131.08557	9.5
133.06494	4.4
133.10130	3.6
135.08060	5.3
135.11665	1.5
137.05948	2.7
137.09656	1.3
139.03793	0.8
141.06987	0.9
142.07755	1.6
143.08517	2.9
145.06468	5.9
145.10091	3.4
145.87704	0.9
147.03351	0.7
147.04402	2.9
147.08003	3.7
147.11661	5.7
149.05983	1.4
149.09610	3.5
151.03899	1.0
151.07558	1.0
153.09108	2.4
153.12679	1.5
155.08559	2.0
157.06458	1.8
157.10112	5.9
159.08061	1.2
159.11703	2.8
161.06029	1.8
161.09663	1.8
163.11194	2.4
165.09059	1.0
165.12717	1.4
167.07040	3.1
167.08472	1.1
167.10637	1.3
169.10106	2.2
171.08093	2.5
171.11688	2.3
173.05974	0.9
173.09575	1.2
173.13223	1.6
175.03851	1.2
175.11188	6.1
177.05510	1.3
177.12692	1.3
181.04971	1.2
181.10143	1.8
181.12289	0.9
183.11760	1.5
185.09470	1.3
185.13257	1.2
187.07562	0.9
187.11198	1.4
187.14856	1.3
189.09361	1.3
189.11209	6.1
189.12643	1.6
191.14362	1.4
193.12227	13.7
195.07977	1.0
195.11717	1.8
197.13162	1.4
199.11063	1.8
201.12671	0.8
203.07008	0.9
205.12308	2.1
207.06514	0.9
211.13190	1.4
213.12633	1.1
215.14351	1.0
217.12267	0.9
219.13803	3.0
223.13304	1.2
227.12672	1.9
231.13831	1.7
233.15260	3.7
237.12616	1.1
237.14908	0.9
239.14326	1.0
245.15440	1.0
249.14795	1.5
255.13760	1.6
259.13290	1.8
267.12967	1.8
267.15878	35.6
268.16309	1.1
273.14676	5.3
275.16458	1.6
287.16519	1.2
293.17346	1.0
339.23212	2.3
349.21509	5.2
357.24234	2.5
367.22592	12.9
385.23679	23.6
403.24689	8.3
405.24161	1.0
426.37070	0.8
441.26300	8.7
459.27341	100.0
460.27829	4.1
474.95267	0.8
477.28430	85.7
478.28741	3.3
491.30017	11.1
499.49261	0.8
501.28708	2.1
509.31061	4.5
541.33508	1.5
567.29712	1.7
749.77594	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.1
55.01870	13.3
55.05499	18.8
57.03434	10.5
61.02913	1.5
64.32489	1.5
65.03925	2.3
67.05500	37.3
69.03423	3.3
69.07060	27.0
69.80176	7.5
71.04954	2.7
77.03886	1.5
79.05486	40.2
81.03413	44.0
81.07050	60.6
83.04976	14.3
83.08617	18.3
85.02894	19.5
85.06518	1.8
86.09706	2.5
91.05474	64.0
93.07036	37.9
95.01336	8.2
95.04961	21.5
95.08599	24.5
97.02865	1.8
97.06525	26.8
97.10165	5.0
98.42538	1.5
99.08052	1.9
103.05437	2.0
105.07017	71.8
107.04946	16.7
107.08585	20.8
109.06485	5.7
109.10159	8.0
111.04467	1.5
111.08048	7.3
112.86915	1.7
113.05988	2.2
114.47063	1.5
117.06998	11.4
119.08568	48.0
121.06477	7.0
121.10140	13.3
123.04450	2.3
123.08035	5.1
123.11723	2.7
125.00008	1.8
125.09592	2.0
129.05504	2.2
129.06955	9.5
131.08554	26.0
133.06502	3.8
133.10115	42.6
135.08063	10.4
135.11668	8.4
137.05959	2.6
137.09610	2.7
139.07541	1.8
141.06984	3.1
142.07770	2.3
143.08540	4.7
145.06480	1.8
145.10080	15.6
146.07259	2.4
147.07996	3.6
147.11665	24.3
149.05894	2.7
149.09589	11.7
149.13234	2.8
149.69814	1.8
151.07529	2.3
151.11180	2.4
157.10110	10.4
159.11705	10.1
161.09576	1.6
161.13237	6.7
163.07509	4.3
163.11166	5.1
165.09093	4.5
169.10051	2.3
169.48750	1.7
171.11726	2.6
173.13187	2.8
175.11163	10.3
177.09081	6.7
177.12694	2.6
179.10632	3.8
179.14265	9.5
183.11700	2.5
184.07310	5.2
187.07590	1.7
187.11156	2.7
188.87097	1.6
193.12218	23.2
195.10173	10.8
211.13234	25.1
211.15019	2.4
229.19569	2.4
252.30383	1.7
257.18933	7.9
259.20633	3.6
267.15860	31.8
268.16415	1.9
275.20038	72.5
276.20435	2.1
285.16931	74.3
293.21014	4.4
301.16269	4.0
315.61176	1.7
333.24210	3.6
349.19794	2.4
349.23734	31.0
417.80087	1.8
445.29340	1.8
541.35217	59.1
542.35345	2.3
559.36237	100.0
560.36029	2.7
577.37054	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	756.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.5
55.01861	15.4
55.05510	19.5
57.03440	9.7
58.20832	1.4
65.03929	2.4
67.05173	2.8
67.05502	40.7
68.19791	1.5
69.03408	2.5
69.07063	29.8
71.04975	5.3
79.05487	41.5
81.03414	35.0
81.07050	59.6
83.04971	10.0
83.08604	14.5
85.02895	12.4
85.06521	3.4
88.94869	1.5
91.05474	65.2
93.07040	35.3
95.01307	11.0
95.04967	18.2
95.08600	32.4
97.02877	2.8
97.06519	26.5
97.10152	2.7
98.20677	2.2
98.69576	1.9
103.05434	3.2
105.07026	79.5
107.04943	20.5
107.08597	18.0
109.06488	5.5
109.10149	9.8
111.04424	2.4
111.08058	6.6
113.06034	2.2
117.06989	13.1
119.08572	42.8
121.06490	9.8
121.10101	11.3
123.04454	2.1
123.08054	6.1
123.11668	2.7
125.09595	3.9
129.07001	9.2
131.08559	24.3
133.10123	44.6
135.08054	10.2
135.11670	7.1
137.05891	3.0
137.09671	2.8
138.06689	2.0
139.07520	2.7
141.06963	2.3
142.07729	2.5
143.08534	4.1
145.06448	2.9
145.10117	16.4
147.07988	2.5
147.11693	15.9
149.05884	1.9
149.09575	12.8
149.13249	3.5
151.06317	2.0
151.07536	6.5
151.11169	1.7
155.08597	2.2
157.10133	9.3
159.11678	13.8
161.05963	24.5
161.13249	6.3
163.07529	8.3
163.11136	4.5
165.09109	6.2
165.12756	2.5
169.10097	2.3
171.11679	3.9
173.13220	3.7
175.11156	7.2
177.09003	3.0
177.12704	3.5
179.10608	3.1
179.14314	13.1
183.11725	2.3
184.07289	2.2
187.11238	2.5
189.05461	3.0
192.32420	1.6
193.12231	17.5
195.10138	14.6
197.13249	2.8
205.12180	2.1
209.27116	1.8
211.13248	20.0
219.17384	3.1
229.19460	2.3
229.64481	1.8
239.17830	2.0
247.20651	2.1
257.19077	7.7
259.20605	2.1
267.15900	17.1
275.20053	78.6
279.15961	2.7
285.16922	27.7
293.21115	5.0
342.87289	1.6
349.23715	37.9
383.14996	2.2
541.35260	50.9
559.36292	100.0
560.36597	4.7
584.44708	2.2
710.50458	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	757.2171
Annotation	Quercetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03926	0.3
55.05510	0.3
57.03431	2.4
61.02912	0.5
61.45584	0.3
65.40110	0.2
67.05480	0.3
68.99795	0.3
69.03415	1.6
70.78030	0.7
71.01315	0.4
71.04989	14.1
73.02908	1.6
75.04463	0.7
78.89721	0.3
81.03429	0.5
83.04967	3.0
85.02897	19.5
87.04464	0.6
91.25542	0.3
95.04943	0.5
97.02858	0.9
97.06482	0.3
99.04438	0.7
100.95826	0.2
109.02850	0.8
111.00764	0.7
111.04415	2.1
113.06036	0.4
117.05480	0.7
121.02841	0.9
123.04377	0.3
127.03884	1.0
129.05467	5.2
135.04370	0.3
137.02328	2.5
139.03825	0.4
145.04950	0.7
147.06511	2.3
149.02351	0.3
150.68411	0.3
153.01819	2.3
153.05449	0.6
159.06424	0.3
163.03880	0.4
163.06007	1.0
165.01797	1.7
171.06435	0.3
173.06010	0.4
177.05470	0.3
183.02847	0.7
183.06520	0.3
191.03352	0.4
201.05473	1.0
219.06476	0.3
229.04907	2.5
239.09125	1.1
247.06157	0.6
257.04449	2.1
274.04831	0.4
275.05417	0.3
285.03952	1.0
287.05408	0.3
303.04959	100.0
304.05325	2.2
315.04938	0.6
345.05914	1.9
369.06155	0.6
395.07410	0.4
413.08685	1.0
431.09607	0.4
449.10626	2.8
465.10324	1.1
562.55688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2173
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03930	0.2
55.01841	0.2
57.03433	1.0
61.02892	0.5
66.77673	0.1
68.99763	0.3
69.03424	1.0
70.39711	0.5
71.04984	7.2
73.02882	0.3
75.04431	0.4
81.03375	0.5
82.50861	0.1
83.04929	0.5
85.02893	10.5
87.04449	0.3
88.33044	0.1
97.02870	1.1
99.04424	0.3
102.63921	0.1
104.00204	0.1
105.03361	0.2
107.04947	0.3
109.02821	0.5
109.53423	0.1
111.00739	0.6
111.04392	0.4
121.02843	1.9
127.03888	0.8
129.04648	0.2
129.05467	2.3
133.02812	0.3
135.04391	0.2
137.02281	0.3
139.03893	0.2
145.04976	0.6
145.06432	0.2
147.04366	0.5
147.06482	0.4
153.01807	2.2
157.06419	0.2
161.05869	0.1
165.01831	1.4
183.02846	0.5
185.05913	0.3
197.05943	0.2
208.99712	0.1
213.05389	0.7
231.06493	0.5
233.85640	0.1
241.04834	0.7
258.05118	0.5
259.06024	0.3
260.16489	0.1
269.04395	0.2
278.27094	0.1
287.05457	100.0
288.05783	2.8
299.05319	0.1
329.06528	0.5
353.06601	0.2
383.08017	0.2
449.10745	19.5
450.11069	0.7
534.55347	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.5
55.01871	6.2
55.05273	2.8
55.05511	32.2
57.03430	26.2
57.07067	6.4
61.02921	3.7
65.03925	6.5
67.05500	76.3
69.03418	6.5
69.07055	24.6
69.84159	8.8
69.84565	5.7
71.04981	7.2
75.90138	2.3
79.05482	78.8
81.03408	69.5
81.07046	67.2
83.04976	16.3
83.08605	24.3
85.02905	24.5
85.06512	5.5
86.09717	4.2
91.05472	100.0
93.06475	5.5
93.07033	74.9
95.04955	34.7
95.08595	43.6
97.02826	2.6
97.06503	5.1
97.10142	8.6
98.21401	4.0
99.08066	3.4
103.05499	3.1
105.07018	95.3
105.67518	2.5
107.04942	11.1
107.08558	25.9
109.06518	11.4
109.10183	15.6
111.04411	4.1
111.08050	14.3
113.06046	4.0
115.05447	4.3
117.07016	21.5
119.08572	70.3
121.06525	4.1
121.10112	24.8
123.08102	7.3
123.11692	3.6
125.09608	4.0
128.06235	3.6
129.06990	24.5
131.08545	37.7
133.06500	3.1
133.10120	53.7
135.11662	13.8
137.09503	4.3
141.06923	3.5
142.07780	7.5
143.08539	10.9
145.10101	25.6
147.07999	3.2
147.11678	48.6
149.09579	10.5
149.13235	10.6
153.71986	2.6
155.08578	4.2
155.22862	3.1
157.10112	27.1
159.08055	3.3
159.11667	21.7
161.13231	22.6
163.11151	4.0
163.14818	5.0
169.10104	4.5
171.11673	11.3
173.13264	11.9
175.11166	13.0
175.14813	9.6
183.11653	4.7
184.07346	12.3
185.13269	10.1
187.14822	3.0
193.12219	52.7
199.14812	5.3
211.13249	57.0
211.15013	4.7
213.16469	3.7
227.12671	5.7
229.14284	3.6
231.20956	3.7
241.19482	29.5
257.18811	3.2
259.20544	67.4
261.22086	2.7
264.77652	2.6
267.15839	25.3
269.17484	3.0
285.16925	69.6
299.23477	3.0
315.23154	7.4
333.24207	57.1
426.94098	3.1
433.31064	8.0
444.18475	3.0
451.31876	9.6
469.32916	3.1
515.37543	3.5
525.35699	27.7
543.36731	88.5
544.37463	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	758.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01863	6.4
55.05503	26.2
57.03433	24.3
61.02906	4.5
65.03925	5.8
67.05499	75.4
69.03410	8.7
69.07063	28.3
71.03931	5.0
71.04258	3.6
71.04978	5.7
79.05486	75.7
81.03413	48.5
81.07053	100.0
83.04959	16.5
83.08607	31.5
84.08897	3.1
85.02902	24.9
85.06513	6.8
86.09703	7.8
91.04903	4.3
91.05471	81.3
93.07039	81.2
93.07627	3.4
95.04953	25.7
95.08607	57.4
97.02905	6.8
97.06526	13.5
97.10154	8.1
99.04431	3.7
99.08035	3.0
105.07018	59.1
107.04984	7.7
107.08580	51.1
109.06513	8.3
109.10132	18.4
111.08065	11.7
113.06026	2.9
117.07016	17.0
119.08570	46.2
120.34504	3.2
121.06479	5.1
121.10120	33.2
121.81918	2.6
123.08015	4.1
123.11681	7.5
125.00027	6.2
125.09616	5.0
129.07007	15.1
131.08560	32.2
133.10117	37.9
135.08078	5.9
135.11674	20.8
137.09590	2.9
138.48384	2.7
142.07738	2.9
143.08571	7.2
145.10138	26.1
145.16357	3.1
147.08084	3.6
147.11673	28.8
149.09592	5.8
149.13222	12.1
151.07397	4.0
151.11125	3.5
157.10144	14.1
159.11685	19.9
161.13222	13.4
163.11194	5.1
165.12753	5.1
171.11694	8.5
173.13235	7.6
175.11176	13.1
175.14845	3.9
177.12778	4.3
179.97519	2.9
184.07353	28.3
185.13258	3.9
187.14806	11.4
189.11214	3.6
193.12239	38.6
195.13725	4.2
195.33096	2.7
205.15962	3.8
211.13257	48.3
217.45691	2.7
227.12828	7.6
231.21063	3.6
241.19461	7.5
257.19009	3.1
259.20612	32.7
267.15900	22.9
269.17496	26.4
275.20062	10.5
277.21579	17.7
285.16940	61.8
293.21091	4.6
315.23160	4.2
333.24222	21.7
349.23761	6.8
351.25266	38.2
357.93869	3.4
431.91095	3.3
449.28796	5.5
463.30496	30.8
503.33350	4.9
534.31409	2.8
543.36761	29.7
561.37927	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.6
55.01861	5.9
55.05505	36.6
57.03431	25.7
57.07080	3.2
59.51003	2.4
65.03938	4.8
67.05499	77.8
69.03420	7.4
69.07059	19.4
69.79090	2.8
69.79390	14.3
71.04978	8.3
79.05485	73.4
81.03413	74.9
81.07047	69.6
81.07535	4.5
83.04972	22.2
83.08609	34.8
85.02888	26.6
85.06537	3.8
86.09698	5.0
91.05473	100.0
93.07034	74.0
95.04957	35.8
95.08595	43.6
97.02881	7.6
97.06522	9.3
97.10158	8.5
98.21469	2.3
99.08099	4.3
105.04498	2.8
105.07020	95.5
107.04971	12.3
107.08582	40.8
109.06501	12.7
109.10158	20.8
111.04454	3.0
111.08070	13.7
115.05436	4.6
117.06995	24.1
119.08574	79.8
121.06512	2.7
121.10135	34.2
123.08087	7.1
123.11690	4.8
124.99986	2.1
125.09617	5.6
128.06221	4.7
129.07002	28.7
131.08553	40.7
133.06532	5.4
133.10115	54.9
135.08006	5.4
135.11691	17.7
137.09590	4.5
142.07707	4.8
143.08580	15.3
145.10103	26.2
147.08044	4.5
147.11671	59.5
149.09607	9.7
149.13223	12.7
151.11151	3.3
155.08521	3.4
157.10130	29.5
159.11684	20.6
161.13226	32.9
162.13504	3.1
163.11084	2.9
163.14732	2.4
165.12779	3.5
169.10048	3.1
171.11685	16.6
173.11873	2.9
173.13228	12.1
175.11180	21.1
175.14830	11.5
175.39227	2.2
183.11688	3.3
184.07312	15.8
185.13255	10.9
187.14847	7.1
189.11305	3.7
193.12238	53.9
199.14816	7.3
211.13255	70.6
213.16377	2.7
227.12787	4.5
229.14290	3.6
231.21051	7.0
241.19498	31.2
243.21056	2.8
257.19034	3.8
259.20566	80.5
260.20905	3.2
261.22064	2.5
267.15872	28.6
269.17471	4.0
277.21606	2.7
283.15454	5.8
285.16934	82.9
299.23584	3.7
315.23209	8.7
333.20407	5.0
333.24210	74.7
334.24564	4.2
351.25012	3.1
433.30948	8.8
434.32098	2.6
439.26822	2.7
451.32132	13.2
469.32996	5.6
507.34631	4.3
515.37030	5.3
525.35583	33.6
543.36725	80.5
544.37018	6.5
561.38477	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	758.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.0
55.01869	16.3
55.05505	39.3
57.03432	27.2
57.07056	6.0
61.02916	11.3
62.59708	1.7
65.03919	4.0
67.05499	87.4
69.03418	6.8
69.07063	20.7
69.25147	16.1
71.04977	6.3
73.02907	6.2
79.05486	67.1
79.21468	1.5
80.06264	2.7
81.03406	19.9
81.07048	82.9
82.04174	4.7
83.04971	13.8
83.08613	18.6
85.02892	9.1
85.06550	3.8
86.09698	3.5
91.03962	3.4
91.05468	47.7
93.07034	67.6
93.07624	3.2
95.04961	21.7
95.07981	2.8
95.08598	55.4
97.02876	6.9
97.06519	11.4
97.10151	14.8
98.07297	5.8
99.08069	2.3
105.07022	33.1
107.04952	6.3
107.08584	35.4
109.06492	5.1
109.10147	26.7
111.04452	2.2
111.08077	7.7
111.85286	1.5
116.04688	11.7
117.07008	13.0
119.08575	23.3
120.09341	1.6
121.06486	2.0
121.10137	27.0
123.08063	5.1
123.11675	5.6
124.99989	2.4
125.09622	16.7
127.03904	1.4
129.05464	32.0
129.06956	7.8
131.08559	22.1
133.10121	17.1
135.08015	4.6
135.11690	20.2
137.09615	3.6
139.11188	1.8
143.07016	6.1
143.08531	3.7
145.10110	11.0
147.11681	12.4
149.09593	4.3
149.13202	9.3
151.11151	1.8
157.08568	14.0
157.10094	7.0
159.11665	8.0
161.13255	6.0
162.13596	1.6
163.11154	3.8
163.14818	3.0
165.12752	3.6
171.10146	6.0
171.11555	2.0
173.11847	2.4
173.13223	8.5
175.11150	4.3
175.14894	2.8
177.16342	1.9
184.07324	16.0
187.14803	3.3
189.11200	7.9
193.12207	7.4
199.13240	3.7
200.14056	2.3
209.11731	2.2
211.13242	4.7
227.12717	9.0
229.14267	2.2
231.17374	1.6
243.21135	4.1
255.15627	1.5
259.20459	1.9
261.22122	17.0
267.15842	7.0
277.21658	2.7
283.15451	4.8
285.16931	2.6
301.16422	67.3
317.24756	2.2
335.25769	100.0
336.25998	4.7
389.02826	1.7
446.07413	1.7
527.37341	5.1
538.67761	1.9
543.36658	3.5
561.37775	93.3
562.37946	6.4
579.38928	1.6
631.94489	1.7
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
53.03939	5.0
55.01867	11.3
55.05264	2.0
55.05509	24.0
57.03434	22.3
57.07063	5.0
59.04970	1.7
61.02916	6.3
65.03944	2.4
67.05499	65.3
68.05854	2.4
69.03416	5.7
69.07059	16.4
69.16904	1.2
71.04976	4.1
71.08620	1.4
73.02920	6.7
74.46252	1.2
79.05487	46.8
81.03420	18.2
81.07047	59.5
81.07528	3.1
82.03768	1.4
82.04210	4.3
83.04976	13.5
83.08613	13.5
85.02898	8.2
85.06535	2.8
86.09710	4.3
91.03962	1.7
91.05473	33.7
93.07036	45.1
94.04180	1.5
95.04963	15.9
95.08599	39.3
96.08909	1.4
97.02879	4.0
97.06533	6.7
97.10168	10.2
98.07305	6.3
99.08111	1.9
103.05431	1.6
105.07026	23.4
107.04938	4.6
107.08584	22.5
107.16872	1.4
109.06502	4.4
109.10140	20.4
111.04420	1.6
111.08070	7.2
113.09706	1.8
115.05397	1.7
116.04702	14.2
117.07011	9.3
119.08571	19.2
121.10123	19.5
123.08054	4.7
123.11710	5.0
124.99998	2.4
125.09613	14.1
129.05473	38.5
129.07011	6.2
131.08568	15.5
133.10126	14.0
135.08047	3.8
135.11670	13.5
135.39310	1.3
136.63304	1.6
137.09616	1.8
143.07043	9.3
143.08604	2.4
145.10060	7.7
147.08055	1.9
147.11670	12.0
149.09605	2.0
149.13266	5.4
157.08607	18.3
157.10150	6.0
159.11690	6.2
161.13283	4.2
163.11174	4.4
163.14848	3.1
165.12737	1.9
171.10170	5.1
173.13225	3.7
175.11252	3.3
175.14867	1.8
177.12769	1.4
184.07312	14.8
185.07765	2.1
187.14757	2.1
189.11264	6.8
191.10744	1.8
193.12186	8.1
198.90002	1.3
199.13303	4.0
200.14049	2.9
209.11668	2.1
211.13321	3.9
227.12767	12.6
243.21104	3.0
259.20639	1.8
261.22134	10.9
267.15756	6.8
268.16281	2.1
277.21619	2.2
283.15329	3.2
285.16901	3.1
301.16437	100.0
317.24713	1.5
335.25766	63.2
336.26135	5.1
382.47018	1.4
449.29581	1.3
527.36890	3.9
543.36633	2.6
561.37799	42.6
562.38257	1.7
596.43756	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	758.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.5
55.05510	17.1
57.03431	7.7
57.07058	3.8
61.02921	3.1
65.03935	2.4
67.05497	75.2
69.03423	2.8
69.07060	15.3
71.04604	2.9
71.04976	26.0
79.05486	42.9
80.73811	1.4
81.03417	2.8
81.07048	98.0
83.04965	3.6
83.08607	10.0
85.02892	2.6
85.06526	7.4
86.09701	5.6
86.27097	1.2
91.05472	31.6
93.07036	44.4
95.04965	4.5
95.08600	29.6
97.02881	2.2
97.06534	6.5
97.10178	2.7
99.08067	1.9
105.07021	15.8
107.08582	23.7
109.06515	1.8
109.10136	16.4
111.89281	1.1
117.06998	7.3
119.08547	8.3
121.10125	14.7
123.11696	12.0
124.99989	5.8
131.08578	9.7
133.10124	17.6
135.11690	10.5
139.11230	1.7
145.10089	5.7
147.11678	5.1
149.09523	1.4
149.13274	7.9
151.11182	8.0
152.44073	1.5
152.83275	1.2
153.05759	1.3
153.12816	1.9
157.10158	1.6
159.11688	6.5
161.13277	2.2
173.13255	2.3
177.12668	2.5
183.13924	2.6
184.07307	14.9
185.13309	1.4
187.13277	4.4
187.14825	2.0
195.14005	1.6
200.33067	1.2
201.14766	1.4
209.45515	1.3
224.57440	1.1
225.32343	1.1
227.16449	3.3
233.38887	1.2
238.27480	1.4
253.18008	1.5
257.17474	1.5
269.17453	7.2
301.20071	25.1
335.25751	22.9
411.32718	1.5
485.36298	4.6
503.37268	100.0
504.37543	4.4
517.38641	3.7
529.38824	16.1
561.41449	85.4
562.41663	2.8
654.21509	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
57.03429	2.0
58.44423	1.0
59.70680	0.8
60.16609	0.8
61.02924	5.5
67.05500	3.6
69.03415	3.2
69.07054	2.3
69.81480	4.0
69.81887	2.1
71.04964	0.9
73.02924	2.2
79.05509	5.0
81.03416	5.1
81.07068	5.2
83.04981	2.0
83.08622	1.4
85.02903	6.6
85.61676	0.8
86.09687	2.2
91.03957	2.7
91.05463	5.0
93.07053	3.9
95.04982	2.2
95.08627	3.1
97.02875	4.7
97.06542	1.5
101.02346	1.2
105.07059	3.9
107.04958	1.6
107.08624	1.2
119.08590	3.3
125.00137	0.9
127.03911	1.3
131.08591	2.0
133.10143	3.0
147.11711	2.3
149.09590	1.3
157.10202	1.4
165.09122	1.5
175.11275	1.3
179.14372	1.4
184.07347	4.6
193.12209	1.4
243.08534	3.3
315.19302	5.4
469.20444	10.3
511.83826	1.1
533.26978	5.3
538.46082	1.0
567.25922	2.2
761.40765	100.0
762.41455	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	762.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.5
58.06630	0.6
59.07385	0.2
60.08159	6.0
66.49083	0.1
67.05474	0.4
71.07362	3.1
71.52892	0.2
79.05476	0.3
81.07036	0.4
86.09698	31.0
87.10035	0.3
91.05464	0.3
93.07052	0.4
95.08584	0.2
98.57258	0.1
98.98451	2.7
98.99040	0.2
104.10728	2.7
105.07011	0.2
124.99992	19.7
133.89632	0.1
135.08060	0.2
143.01025	0.3
146.07271	0.1
163.07504	0.3
165.03142	0.1
166.02727	0.3
177.09006	0.3
184.07323	100.0
185.07701	1.1
195.10194	0.2
268.29138	0.1
377.14047	0.2
674.36444	1.7
728.45178	1.9
744.44702	1.0
744.55402	0.3
763.41400	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74276	0.2
56.05026	0.5
57.49485	0.2
58.06615	0.6
60.08155	5.3
63.49567	0.2
67.05495	0.3
69.03424	0.2
70.06561	0.3
71.07369	2.8
79.05486	0.3
81.07056	0.3
86.09696	26.5
87.10030	0.3
91.05508	0.2
93.07027	0.3
95.04979	0.2
98.98457	2.6
104.10739	1.8
119.08591	0.3
120.37990	0.2
124.99989	16.4
135.93208	0.2
143.01151	0.2
149.02310	0.3
151.07561	0.3
166.02669	0.2
182.20111	0.2
184.07321	100.0
185.07655	1.0
266.98129	0.2
293.76993	0.2
385.09171	0.2
468.23282	0.2
674.36426	1.4
728.44769	1.7
744.44049	1.1
763.41510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
64.67721	3.2
69.47523	9.1
69.47948	14.8
81.07073	3.5
86.09689	17.6
121.13831	2.6
125.00008	11.2
137.66222	2.7
151.07538	4.5
184.07326	68.7
184.09001	3.5
185.07712	6.0
300.29218	2.8
403.52722	3.3
519.29944	4.3
713.45483	3.8
763.40424	100.0
764.40515	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	763.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42380	1.5
60.08174	3.4
62.19526	1.4
70.20134	6.9
71.07370	2.1
75.44503	1.5
79.05491	1.8
81.03414	1.9
86.09697	13.0
98.73878	1.5
125.00003	11.5
151.07526	1.9
184.07318	51.1
185.07697	8.2
267.67715	1.7
288.58060	1.8
507.14594	1.7
713.46417	2.4
763.40234	100.0
764.41052	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	763.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01838	0.4
55.05492	1.3
57.03429	1.9
60.08150	0.7
61.02915	4.5
61.86763	0.4
65.03947	0.3
67.05495	3.9
69.03419	3.0
69.07056	1.3
69.45640	0.3
71.04984	0.6
71.13989	0.8
71.14322	0.5
73.02911	3.9
79.05478	4.6
81.03410	3.4
81.07039	3.7
83.08591	0.7
85.02902	6.2
86.09692	3.8
87.04458	0.6
91.03944	3.4
91.05467	4.8
93.07024	5.0
95.04945	1.6
95.08610	2.2
97.02878	4.8
97.10179	0.6
98.98469	0.7
99.04448	1.2
101.02345	1.9
104.10789	0.5
105.07020	3.8
107.08595	2.8
109.02869	0.6
109.06516	0.6
109.10159	0.9
115.07524	0.5
117.06997	1.0
119.08576	3.3
121.10143	1.5
124.99984	1.9
127.03890	2.1
129.06973	1.1
131.08551	1.1
133.10115	2.2
135.11665	0.8
139.14928	0.4
141.92419	0.4
145.10152	0.7
147.11681	1.6
149.13257	0.5
151.07581	0.5
157.10123	1.2
159.11685	0.7
161.13319	0.8
171.11635	0.4
180.97359	0.4
183.39133	0.4
184.07314	12.6
185.04213	1.4
185.07661	2.2
193.12166	0.9
203.05222	0.7
243.08372	3.5
251.12732	1.4
259.07751	0.5
259.20648	0.7
269.12354	0.5
301.09076	1.4
349.16586	0.5
397.18069	0.5
465.21124	0.8
469.20413	6.8
535.28784	8.6
536.29230	0.7
541.22736	1.5
648.47412	0.4
745.43030	0.4
763.42230	100.0
764.42780	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	763.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
54.15995	0.5
55.01872	0.6
55.05507	1.7
55.93302	0.4
57.03440	2.1
61.02923	4.2
61.05491	0.4
65.03956	0.5
67.05504	3.8
69.03438	2.7
69.07061	1.3
70.92596	0.9
70.92978	0.7
71.04967	0.7
73.02908	3.8
79.05481	5.2
81.03412	4.3
81.07045	3.8
83.04979	0.8
83.08630	1.4
85.02903	6.0
91.03933	2.8
91.05471	4.8
93.07040	4.6
93.84584	0.5
94.84894	0.5
95.04972	1.9
95.08593	2.7
95.48333	0.5
97.02889	4.6
97.06507	0.6
97.10159	0.7
99.04459	1.2
101.02387	1.7
105.07024	4.4
107.04915	0.7
107.08625	1.5
109.02850	1.2
109.06494	0.6
111.08044	0.7
115.03890	0.5
117.06995	0.9
119.08598	2.4
121.10152	1.1
127.03906	0.9
129.06990	1.6
131.08575	1.3
133.10158	1.6
135.08090	0.7
135.11630	0.8
139.07597	0.5
145.10173	1.0
147.11697	2.0
151.07562	1.6
152.08006	0.5
157.10117	1.2
161.13234	0.5
163.07658	0.5
165.09172	1.4
175.11217	0.6
184.07343	1.4
185.04242	1.5
191.10672	0.8
193.12282	1.6
220.82843	0.5
241.06831	0.6
243.08458	3.3
251.12747	1.1
259.20731	0.6
272.47702	0.5
276.04019	0.5
301.09067	1.7
317.20776	0.6
373.11240	0.5
443.19016	0.6
465.21179	1.0
469.20407	12.8
470.21069	0.7
535.28864	4.2
541.22681	1.1
555.23810	0.7
763.42255	100.0
764.42749	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	770.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	7.5
55.05499	30.2
57.03434	12.0
57.07061	3.9
65.03918	6.5
66.65730	2.5
67.05498	75.8
67.15919	2.5
69.03410	6.3
69.07063	25.4
71.04990	3.3
71.46029	2.3
71.52967	3.8
73.02901	2.6
79.05489	100.0
81.03407	15.7
81.07047	84.7
82.07395	2.5
83.04984	16.7
83.08606	12.8
85.02881	7.3
85.06540	5.0
91.04910	4.9
91.05472	99.8
93.07033	100.0
95.04964	28.1
95.08595	45.5
97.02866	4.6
97.06512	16.4
97.10150	4.6
97.92249	2.1
99.08065	4.4
103.05429	3.4
105.04499	5.8
105.07020	77.4
107.04930	10.6
107.08578	31.3
109.06501	8.8
109.10143	9.7
111.08058	5.1
115.05447	4.1
117.06995	25.6
119.08567	54.2
121.06477	3.6
121.10142	19.8
123.08042	7.4
123.11710	3.8
127.03909	4.2
128.06186	3.0
129.07001	23.2
130.07698	2.7
131.08562	19.6
133.10114	36.0
135.08034	5.7
135.11681	14.6
141.06947	2.7
143.08545	13.9
145.06480	2.9
145.10101	22.3
147.08034	6.4
147.11667	54.0
149.09573	7.1
149.13280	13.3
151.07512	3.3
157.10106	5.5
159.11656	15.9
161.09546	6.6
161.13246	22.2
163.11150	5.5
163.14915	2.4
165.09015	2.5
169.10088	3.0
171.11682	37.4
173.13290	7.4
175.14766	5.4
177.12753	5.3
179.14246	3.4
184.07341	6.0
185.13245	5.5
187.11351	2.7
187.14600	2.3
189.11185	3.4
189.12663	12.0
195.13789	5.2
197.13319	2.6
207.12019	2.9
207.13786	22.8
213.81799	3.0
239.17902	2.8
241.19463	13.6
243.12291	2.3
257.19003	8.7
259.20599	21.1
269.17401	8.5
275.20044	12.5
279.15829	6.5
281.17450	48.7
315.23190	4.0
333.24252	15.8
349.23788	7.5
475.30524	35.6
539.37286	22.5
542.71179	2.8
555.36389	7.4
557.38190	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	770.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	9.6
55.05507	26.4
57.03422	9.3
65.03931	6.1
67.05502	64.7
69.03413	4.8
69.07066	24.0
69.27718	17.8
71.04996	4.8
73.02931	2.6
77.42197	1.9
78.71502	2.1
79.05486	76.7
81.03407	15.1
81.07052	70.0
83.04974	15.9
83.08607	12.0
85.02884	3.5
85.06507	4.9
86.09699	2.6
91.05476	66.8
93.07040	76.9
93.07629	3.8
95.04963	26.6
95.08604	30.8
97.02857	5.0
97.06506	17.2
97.10150	6.4
98.21458	3.7
99.04479	2.5
103.05484	2.1
105.04523	2.3
105.07022	52.2
107.04947	10.8
107.08585	41.0
109.06506	11.7
109.10145	13.0
111.08090	6.7
117.07008	15.8
119.08580	31.2
121.06513	5.0
121.10124	13.4
123.08060	6.3
123.11705	2.8
125.09598	5.9
127.03907	2.5
128.06215	2.8
129.06960	15.3
130.07733	2.4
131.08551	14.5
133.06316	2.2
133.10133	23.6
135.08049	5.5
135.11664	11.2
139.07434	2.3
143.08551	9.0
145.10109	17.6
146.07251	2.2
146.60837	2.0
147.00090	2.6
147.08070	2.2
147.11670	36.2
149.09637	8.2
149.13251	5.6
151.07510	3.4
152.16937	2.3
157.10094	3.6
159.11678	10.6
159.54660	1.9
161.09662	5.7
161.13251	9.8
163.11154	9.2
169.10011	2.1
171.11653	27.3
173.13211	3.5
177.12679	3.3
183.11736	2.6
185.13191	2.9
189.11208	3.5
189.12744	9.5
195.10117	4.1
195.13818	5.2
207.13782	27.8
227.12675	14.8
229.19521	2.5
241.10451	2.1
255.15979	5.0
257.18951	11.3
269.17419	16.5
275.20050	36.0
281.17441	76.5
331.22586	3.3
349.23730	26.8
435.27499	3.1
451.27255	3.3
461.28918	25.0
475.30539	100.0
476.29999	3.1
537.35474	3.0
545.47211	2.2
555.36847	51.8
556.37030	3.8
573.37445	5.9
619.34595	2.7
753.32635	2.5
781.54828	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	771.503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.0
55.05367	5.7
55.05671	4.0
57.03292	3.1
57.03608	1.8
57.06949	1.1
57.07235	0.9
59.04874	0.4
61.02770	9.5
61.03127	5.5
65.03800	1.0
67.05341	13.0
67.05748	6.1
69.03264	5.6
69.03687	2.5
69.06905	5.6
69.07330	2.5
69.18867	2.1
69.19296	2.8
71.01221	0.9
71.01558	0.6
71.04820	1.5
73.02745	6.2
73.03214	2.4
76.58838	0.4
79.05310	10.1
79.05829	3.0
81.03239	2.7
81.03766	0.6
81.06871	14.5
81.07411	4.3
83.04824	1.0
83.05256	0.5
83.08425	3.8
83.08974	1.2
84.34091	0.5
85.02713	9.9
85.03291	2.6
85.06371	1.1
87.04310	0.5
91.03758	6.5
91.04391	1.4
91.05281	9.9
91.05914	2.4
93.06846	11.7
93.07508	2.6
95.04765	1.4
95.08403	14.3
95.09085	3.1
97.02692	9.9
97.03394	2.0
97.06315	1.5
97.09951	1.7
98.20698	0.9
99.04284	1.0
99.07957	0.6
101.02170	1.5
103.05316	0.6
105.06817	10.6
105.07610	1.8
106.07216	0.5
107.04777	1.0
107.08372	8.5
107.09181	1.4
109.02717	0.8
109.06382	0.8
109.09943	6.1
109.10738	1.0
111.07928	0.9
115.03765	0.9
115.05270	1.0
117.06790	6.3
119.08355	8.9
119.09264	1.2
121.09907	6.7
121.10840	0.8
123.07922	0.9
123.11484	1.4
125.09406	1.7
127.03680	2.2
128.05992	1.9
129.05338	0.5
129.06772	8.6
129.07794	0.9
130.07617	1.0
131.08321	9.3
131.09386	0.9
133.09894	7.9
133.10977	1.0
135.07802	1.3
135.11436	3.7
137.13080	1.0
141.06746	4.6
141.72955	0.5
142.07506	2.6
143.08307	11.2
143.10165	0.6
144.09070	0.7
145.04802	0.8
145.05971	0.4
145.09866	10.6
147.11446	4.3
149.09378	0.8
149.13004	2.2
153.06770	1.5
154.07494	1.6
155.08293	9.1
156.09052	1.5
157.09869	10.3
157.34898	0.5
159.11427	7.4
161.13007	2.9
163.14638	0.6
165.06801	1.2
166.07593	0.6
167.08301	4.3
168.09019	1.3
169.10120	10.9
169.11433	0.6
170.10487	0.5
171.07884	0.5
171.11670	10.2
171.12987	0.5
173.13002	4.5
175.14543	1.7
177.16081	0.4
179.08278	1.7
180.09142	0.9
181.10109	5.1
181.15619	0.5
182.10635	1.3
183.11678	11.1
184.07112	1.4
184.12163	0.5
185.09554	0.6
185.13242	6.9
187.14536	2.7
189.12506	0.5
189.16045	1.3
191.13986	0.5
193.10062	2.7
194.10583	0.6
195.11671	7.3
196.12189	0.8
197.13239	8.6
198.13612	0.4
199.13229	0.7
199.14796	4.7
201.16115	1.4
203.14215	0.5
205.09941	0.8
207.11679	2.8
209.13248	6.1
211.11038	0.4
211.14810	6.3
213.16402	3.3
215.17766	0.6
219.11626	0.9
221.13251	2.4
222.11606	0.4
223.14786	4.1
225.16368	3.5
227.17657	1.9
233.12939	0.7
235.14780	2.2
237.16365	2.9
239.17981	2.8
241.19576	0.8
247.14566	1.0
249.16196	1.1
251.17953	2.1
253.19490	0.9
261.16071	0.5
263.17841	1.1
265.19293	0.9
266.19995	0.7
269.18756	0.6
275.17560	0.6
277.19223	0.5
279.20953	0.6
281.18597	0.6
281.22549	0.5
285.21957	0.8
297.21826	0.8
307.20102	0.9
309.21951	0.9
311.19983	0.6
311.23352	1.0
318.18707	0.4
319.20053	0.6
321.21896	0.5
323.23566	1.1
325.21216	0.5
337.25040	1.3
339.22766	0.6
339.26581	1.0
341.24475	0.5
349.24985	0.9
351.26508	1.3
353.24490	0.7
359.26584	0.5
363.26569	0.7
365.28299	1.4
375.26688	0.8
377.28226	0.9
379.25885	0.8
379.30206	0.5
381.27426	0.8
389.10059	0.5
391.30023	0.5
393.31537	0.7
405.31305	0.8
421.30591	0.8
425.30582	0.7
435.32776	0.7
447.32080	1.3
449.33905	0.8
453.33875	0.5
461.33862	0.9
473.32861	0.8
475.34720	0.6
481.32550	0.6
483.34320	0.6
499.39508	1.0
501.35620	1.1
513.35632	1.0
515.37646	1.2
517.40448	6.3
521.36078	0.9
525.35034	0.8
527.36914	0.9
535.41467	3.4
539.37238	2.3
541.39252	1.0
553.42474	0.6
567.40521	0.9
573.43060	0.8
591.35303	0.7
591.44031	6.1
592.44739	0.6
607.43213	2.1
609.45074	100.0
610.45398	6.9
611.46094	1.0
621.44952	1.4
651.46069	0.8
735.48157	1.4
753.49341	1.9
771.50500	19.4
772.50958	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	1.6
55.02028	0.8
55.05410	9.0
55.05715	2.4
55.57379	0.5
57.03334	4.2
57.03635	1.1
57.06987	1.5
59.04907	0.5
61.02818	11.5
61.03167	2.5
65.03862	1.2
67.05388	16.9
67.05794	3.1
69.03310	5.8
69.03716	1.2
69.06950	7.9
69.07359	1.2
69.82877	0.8
69.83284	2.6
71.01248	1.5
71.01582	0.5
71.04877	1.7
71.05238	1.0
71.08521	0.5
73.02794	6.5
73.03243	1.1
77.03824	0.6
79.05369	13.9
79.05883	1.8
81.03289	4.1
81.06928	17.6
81.07450	2.2
83.04850	1.6
83.08486	5.5
85.02773	10.7
85.03325	1.0
85.06437	1.2
86.09632	0.6
87.04372	0.8
91.03815	6.5
91.05345	12.6
91.05955	1.2
93.06906	13.7
93.07545	1.2
94.07248	0.5
95.04832	2.9
95.08466	15.9
95.09145	1.6
97.02751	10.0
97.03427	1.1
97.06386	2.2
97.10014	2.0
98.21397	1.0
99.04361	1.0
99.08006	0.5
101.02238	1.6
103.05335	0.9
105.06881	12.3
107.04798	2.0
107.08447	9.9
107.09222	0.7
109.02792	1.0
109.06349	2.3
109.10003	7.1
111.04315	1.0
111.07933	1.5
115.05330	1.3
117.07008	7.0
119.08563	11.7
121.06346	0.7
121.10124	5.9
123.07988	0.8
123.11555	2.1
125.09518	1.2
127.03741	1.8
127.04581	0.6
127.61562	0.5
128.06067	2.3
128.06908	0.5
129.07004	9.4
130.07663	0.7
131.08551	10.0
133.10121	9.1
135.07986	1.3
135.11647	3.7
137.09422	0.7
137.13132	1.2
141.06963	4.5
142.07588	2.1
143.08553	12.5
144.09073	0.5
145.04811	0.6
145.10112	11.2
147.11664	4.9
149.02226	0.6
149.09460	1.2
149.13081	2.4
153.06845	1.3
154.07637	1.0
155.08537	8.7
156.09167	1.9
157.10109	11.5
159.11688	7.5
161.13231	3.2
163.11121	0.8
163.14656	0.9
165.06937	0.7
166.07649	1.0
167.08527	4.8
168.09174	1.4
169.10100	11.9
170.10675	0.6
171.11655	8.9
173.09552	0.5
173.13232	4.9
175.11031	0.6
175.14676	1.3
177.16325	0.9
179.08357	1.9
179.09903	0.5
180.09172	1.2
181.10100	7.2
182.10735	0.9
183.11694	11.6
184.07155	0.9
184.12331	0.6
185.09471	0.7
185.13242	7.0
187.14793	3.3
189.16199	0.9
193.10168	2.9
193.11752	0.8
194.10701	0.6
195.11658	6.5
197.13226	8.6
199.13091	0.6
199.14864	4.1
201.16263	1.7
203.17836	0.7
205.09969	1.2
207.11688	2.6
209.13239	5.5
211.13092	0.8
211.14775	6.3
213.16440	2.7
215.17838	1.0
219.11580	1.3
221.13060	2.3
223.14767	3.8
225.16374	3.8
227.17775	2.2
231.11465	0.7
233.13077	1.3
234.13928	0.7
235.14636	1.6
237.16385	3.2
239.17973	2.5
249.16119	1.6
251.17778	1.9
253.19292	1.6
259.20447	0.7
261.16266	1.0
261.21887	0.7
263.17847	0.7
265.19424	1.3
267.21027	1.1
271.20480	0.7
275.17542	0.7
275.20221	1.0
279.20667	0.6
285.21906	0.7
291.20599	0.8
319.19998	0.7
321.21762	0.9
323.23471	1.3
327.22900	0.8
335.25809	0.6
337.25012	2.3
339.26740	0.7
349.25082	0.7
351.26651	1.3
355.25705	0.6
363.26736	0.9
365.28305	1.2
367.26245	0.6
379.29898	0.7
381.27805	0.8
393.31543	0.9
403.30295	0.9
407.29251	1.1
424.53748	0.6
433.30670	0.6
447.32166	1.1
475.34515	0.8
495.34506	0.8
501.35580	1.0
515.37854	0.8
517.40442	5.1
521.36597	0.7
525.35486	0.7
527.37311	1.7
535.41534	3.5
539.37317	1.3
545.38129	1.0
567.39758	1.1
573.43365	0.9
591.44092	7.6
607.43408	2.2
609.45056	100.0
610.45599	5.8
621.45386	1.3
633.44684	1.0
651.46130	1.6
699.45178	0.6
717.47314	1.3
735.47858	2.1
753.49371	1.8
771.50366	21.3
772.50983	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	12.0
55.05511	20.7
57.03432	13.5
60.08156	3.2
67.05500	59.2
69.03415	6.2
69.07049	18.4
71.04972	3.7
71.52895	4.6
71.53288	3.0
76.32821	2.8
79.05486	42.8
81.03405	36.5
81.07051	58.8
83.04994	14.4
83.08616	19.9
85.02930	13.4
85.06529	7.1
86.09669	6.4
91.05476	60.9
93.07043	38.5
94.34058	3.2
95.04968	23.2
95.08591	24.2
97.02869	3.5
97.06522	6.2
97.10129	4.1
99.04408	3.7
105.07021	53.5
107.04948	11.0
107.08592	32.2
109.06488	9.9
109.10150	37.3
111.04423	3.7
111.08060	9.2
113.05968	3.3
115.05460	3.1
115.33878	2.9
117.07011	6.8
119.08566	25.0
121.06449	14.3
121.10104	16.7
123.08086	6.2
123.11682	7.8
125.09625	3.4
129.06982	11.0
131.08588	13.5
133.06483	4.0
133.10123	55.6
135.08049	18.3
135.11679	5.1
137.05991	3.8
142.07736	3.5
143.08554	5.7
145.06389	2.7
145.10107	8.4
147.11723	14.1
148.28191	3.3
149.09619	10.2
151.07545	5.0
151.11156	20.4
157.10117	13.0
159.08028	4.1
161.05969	3.0
161.09625	5.4
163.07562	5.6
165.09105	5.8
167.10577	3.1
169.12128	4.9
171.11684	5.0
173.09579	3.0
175.11179	10.0
177.09085	5.2
184.07294	20.2
189.11116	3.4
193.12216	27.3
195.10091	19.6
211.13258	39.5
253.14340	100.0
263.20062	4.2
267.15903	14.1
273.18475	23.1
285.16888	27.9
291.19540	28.6
293.60626	2.8
347.22122	8.0
365.23276	22.5
463.26743	15.0
481.27621	6.3
557.34613	19.0
569.59595	3.0
575.35712	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.4
55.05507	24.0
57.03429	10.8
57.07054	1.4
65.03935	1.9
67.05173	2.4
67.05501	34.7
68.49895	1.5
69.03427	8.6
69.07062	27.2
71.04993	3.9
79.05489	33.8
81.03410	39.6
81.07050	37.3
83.04978	12.5
83.08613	21.2
85.02898	16.2
85.06521	1.6
86.09280	1.4
91.05472	33.7
92.03856	1.5
93.07034	28.6
95.04956	22.4
95.08594	15.4
97.02875	10.2
97.06537	6.9
97.10162	12.1
99.08091	1.7
102.77243	1.4
103.05408	1.8
105.07027	25.5
107.04945	12.2
107.08584	15.3
109.06501	6.6
109.10139	9.2
111.04426	2.9
111.08064	7.3
113.05961	1.9
115.05436	2.9
117.07004	8.7
119.04941	2.2
119.08557	18.0
121.06479	8.0
121.10133	11.2
123.08037	4.1
123.11683	3.4
125.09619	8.3
129.07025	8.5
131.08548	12.3
133.06493	4.5
133.10115	15.2
135.08066	6.3
135.11656	3.9
137.09598	4.3
143.08516	3.7
145.10117	7.2
147.08057	7.0
147.11670	13.3
149.09581	6.2
149.13246	3.2
151.07460	1.7
157.10141	11.4
159.11662	3.2
159.81253	1.4
159.91254	1.5
161.09570	3.1
163.07500	4.0
163.11143	4.7
165.09123	4.2
165.12701	2.8
171.11664	1.6
173.13240	1.8
175.11111	11.1
184.07237	2.9
185.13239	2.2
189.11218	4.9
193.08607	1.6
193.12218	30.8
195.10132	6.4
195.13782	1.6
205.12241	2.5
211.13260	44.4
223.13304	14.9
227.12811	7.3
233.15289	1.7
249.14900	3.7
253.14233	3.0
267.15900	29.2
269.17450	2.1
273.18457	17.6
282.79294	1.4
283.15427	4.4
285.16931	41.4
286.17355	1.5
291.19516	100.0
292.19849	3.4
347.21988	2.5
349.23837	2.4
365.23199	48.5
366.23691	1.7
374.39038	1.7
445.26315	2.4
463.26828	4.1
477.28323	6.5
539.33264	2.1
557.34631	35.7
575.27380	2.9
575.35773	56.0
576.35602	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	772.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.8
58.06353	0.2
58.06602	0.4
60.07838	0.3
60.08154	5.6
67.05492	0.4
67.70177	0.2
69.06279	0.2
69.21924	1.6
69.22346	0.6
71.07359	3.4
77.83597	0.2
79.05482	0.3
81.07032	0.3
83.08606	0.2
85.81902	0.2
86.09695	30.4
87.10027	0.5
91.05459	0.3
95.08559	0.2
98.98458	2.8
104.10733	2.2
110.78134	0.2
124.99986	19.6
143.00998	0.5
184.07314	100.0
185.07701	1.1
299.90164	0.2
308.29401	0.4
486.54590	0.2
585.30286	0.2
613.27533	0.2
754.53638	4.1
755.53156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.212
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01834	0.3
55.05479	0.1
57.03426	1.3
59.04962	0.1
61.02923	0.5
67.31583	0.1
68.99751	0.3
69.03419	1.2
71.04982	8.3
71.14105	0.1
73.02858	0.3
74.09579	0.1
75.04428	0.4
81.03410	0.6
83.04964	0.5
85.02892	10.7
87.04431	0.3
91.03912	0.2
93.03387	0.2
95.04932	0.1
96.99818	0.1
97.02877	1.1
99.04393	0.4
101.05962	0.1
107.04913	0.1
109.02876	0.6
111.00794	0.6
111.04369	0.3
121.02836	0.7
123.04366	0.3
127.03894	0.9
129.05464	2.6
133.06390	0.1
133.10054	0.1
135.04390	0.2
137.02318	2.3
137.05879	0.2
145.04932	0.6
147.06502	0.5
149.02332	0.5
153.01797	2.3
161.06004	0.2
163.03874	0.5
165.01813	1.7
166.02606	0.2
173.05937	0.2
177.05460	0.1
183.02919	0.8
183.04347	0.2
187.03839	0.2
191.03453	0.1
195.02783	0.2
201.05452	1.0
205.04860	0.2
219.02875	0.1
219.06422	0.2
228.04112	0.1
229.04926	3.1
232.03543	0.1
239.03528	0.2
243.02960	0.1
247.05959	0.9
257.04398	2.0
274.04709	0.7
275.05386	0.1
285.03833	1.1
286.04495	0.1
303.04938	100.0
304.05298	2.6
315.04858	0.2
345.06067	0.3
369.05960	0.2
449.10516	0.1
465.10233	21.7
466.10394	0.9
483.60980	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2121
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01856	0.6
55.05487	0.4
57.03431	2.1
59.04998	0.3
61.02910	0.9
68.99780	0.5
69.03422	1.9
71.04983	12.9
71.52962	0.3
73.02889	0.8
75.04471	1.0
78.27373	0.2
81.03408	1.1
83.04966	2.0
85.02892	25.1
86.03226	0.2
87.04435	0.6
91.03918	0.4
93.03386	0.2
95.04958	0.3
97.02876	3.2
99.04411	0.5
107.04962	0.2
109.02853	1.1
111.00774	0.8
111.04452	1.2
113.05910	0.2
121.02855	0.8
123.04414	0.7
127.03894	2.9
129.05463	5.6
135.04372	0.5
137.02301	2.8
145.04935	2.3
147.06508	2.4
149.02341	0.3
153.01807	2.6
153.05428	1.0
155.04828	0.2
161.05942	0.3
163.03906	0.8
163.05995	0.6
165.01874	1.5
173.05957	0.3
183.02881	0.6
187.03798	0.4
195.06458	0.4
201.05521	1.3
219.06487	0.3
228.04056	0.2
229.04907	4.6
247.05933	0.5
255.08597	0.4
257.04428	2.4
274.04715	0.7
275.05496	0.2
285.03928	1.1
287.05511	0.3
289.06985	0.5
303.04944	100.0
304.05341	3.2
345.05917	0.4
465.10233	0.9
469.51541	0.2
470.63766	0.2
474.57062	0.2
644.66766	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.4
55.05511	12.6
57.03433	9.8
57.07057	2.2
61.02922	11.3
65.03923	3.3
66.17008	1.9
66.28293	2.0
67.05499	57.3
69.03413	8.1
69.07066	18.3
71.02824	4.1
71.04986	4.8
72.71563	1.7
73.02913	5.0
79.05487	37.0
81.03407	4.8
81.07051	57.0
83.04962	2.1
83.08614	13.0
85.02900	10.7
85.06543	4.0
91.03950	6.9
91.05473	41.1
93.07034	44.5
93.45670	1.8
95.04961	6.1
95.08603	45.7
97.02875	3.7
97.06522	6.1
97.10142	6.0
99.08049	1.7
105.07021	40.3
107.04971	2.2
107.08591	31.1
109.06522	4.4
109.10149	22.6
111.08056	2.8
117.07026	13.9
119.08581	36.5
121.06512	2.6
121.10138	26.4
123.08073	3.4
123.11707	5.8
128.06152	2.0
129.06976	10.0
131.08557	27.4
133.10123	31.7
135.11679	24.8
137.09593	2.6
139.96770	2.0
141.06975	3.4
143.08549	12.9
145.06384	2.4
145.10101	32.3
147.11684	32.1
149.13289	12.1
149.66911	1.9
155.08540	5.3
157.10110	12.3
159.11668	23.9
161.13245	23.2
163.14816	5.7
169.10109	6.3
171.11665	16.9
173.09538	2.1
173.13216	16.5
175.14796	10.8
181.10100	2.5
183.11705	8.3
184.07295	2.8
185.13295	11.3
187.14815	6.6
195.11678	3.4
197.13261	5.6
199.14824	7.9
201.16402	2.8
203.14148	2.4
209.13348	3.2
211.14719	4.7
212.36914	2.2
213.12843	2.4
213.16370	7.0
221.13222	2.2
225.16351	2.8
227.17958	2.1
229.19519	2.1
231.21068	4.5
239.17880	2.7
241.19524	23.2
243.21086	2.3
255.33455	2.0
257.18964	7.8
259.20578	39.9
261.22131	8.1
271.20532	3.8
275.19986	2.9
277.21600	2.7
299.19980	2.3
299.23499	2.2
301.21552	2.8
313.21649	3.8
315.23331	4.5
322.27295	3.3
323.27856	1.9
333.24210	30.3
335.25803	70.5
337.27310	3.6
367.22543	4.5
461.32684	2.7
519.41986	6.7
529.38892	2.4
537.42706	3.6
553.35919	1.9
593.45911	10.9
609.45288	3.7
611.46600	100.0
612.47284	4.3
623.47046	2.4
689.47357	2.7
701.47058	5.3
719.48547	3.8
737.49908	3.1
755.50604	7.3
773.51971	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	773.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94706	2.9
55.01865	4.2
55.05506	25.0
57.03424	12.7
57.07071	3.8
61.02907	16.1
65.03926	5.8
67.05499	73.4
69.03419	9.1
69.07067	29.2
70.77211	6.5
70.77580	6.8
71.04998	3.8
73.02895	8.7
79.05483	54.5
81.03415	8.7
81.07044	74.6
83.04986	3.3
83.08617	10.8
85.02907	10.3
85.06503	2.8
86.09704	3.9
90.37842	3.2
91.03972	7.6
91.05471	55.8
93.07034	71.5
95.04971	9.7
95.08601	55.4
97.02887	12.7
97.06525	5.2
97.10193	4.9
105.07022	46.5
107.08585	40.6
109.10146	25.1
114.24135	2.9
117.07037	23.8
119.08580	47.3
121.10122	32.7
123.08057	4.2
123.11720	6.2
128.46660	3.5
129.07001	12.4
131.08545	29.7
133.10117	43.2
135.11668	21.6
143.08560	14.1
145.10107	25.1
147.11664	32.7
149.13229	11.8
155.08574	6.4
157.10152	18.6
159.11664	26.0
161.13216	19.2
163.11159	3.6
169.10141	11.0
171.11678	17.8
173.13278	17.0
175.14822	11.7
177.12700	3.5
181.10155	6.0
183.11722	8.1
184.07330	6.2
185.13234	13.4
187.14857	3.8
195.11630	4.0
197.13289	5.1
199.14825	7.6
201.16301	3.9
211.14792	4.4
213.16316	3.5
216.48480	3.5
239.18097	4.7
241.19501	18.8
259.20544	32.1
315.23071	5.1
333.24265	20.5
335.25769	60.9
367.22739	4.4
377.80838	3.5
381.13959	4.2
403.24658	4.1
593.45947	6.4
598.95660	3.6
609.45020	4.8
611.46637	100.0
612.46527	4.9
773.52521	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	774.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.2
55.05510	36.0
57.03434	24.1
57.07062	3.1
59.05007	3.6
60.32308	1.5
61.02932	7.5
65.03930	4.6
67.05502	81.3
69.03425	13.1
69.07066	30.0
71.04987	11.4
73.02911	2.5
77.03897	1.6
79.05491	68.2
81.02924	3.0
81.03413	80.5
81.07052	96.1
82.03743	1.9
83.04974	24.0
83.08612	37.5
85.02900	37.3
85.06530	6.9
87.04498	1.8
91.03949	1.9
91.04906	3.8
91.05476	75.0
93.07037	72.6
95.04967	39.0
95.08601	37.5
97.02901	8.2
97.06513	15.4
97.10144	9.8
98.21581	2.6
99.04460	3.2
99.08092	5.7
105.04512	2.2
105.07026	56.4
107.04951	16.5
107.08586	37.3
109.02869	1.8
109.06511	12.2
109.10152	7.9
111.04439	4.3
111.08068	16.9
113.05987	5.1
113.09679	1.8
115.05499	4.5
117.07008	17.4
119.08575	39.8
121.06519	8.7
121.10133	24.1
122.06853	2.2
123.08070	6.2
123.11702	5.3
125.09624	3.0
127.03943	2.1
128.06175	1.9
129.06981	19.3
131.08568	28.1
133.06490	5.7
133.10127	32.5
135.08034	7.5
135.11676	13.7
136.08406	1.7
137.06003	2.7
137.09645	4.3
138.06708	1.5
139.11208	2.3
141.06972	2.9
142.07779	2.6
143.08580	5.2
145.10123	13.7
147.08028	3.9
147.11685	27.8
149.09625	19.2
149.13263	14.4
151.07545	1.8
151.11159	3.8
155.08531	2.3
157.10126	22.7
159.11700	13.1
161.05896	1.7
161.13239	4.0
162.06773	2.3
163.07549	3.6
163.11160	7.2
164.07886	1.6
165.09094	2.2
165.12761	4.8
166.02092	1.5
171.11699	3.1
173.04538	3.3
173.13263	3.9
175.11189	20.0
177.12772	3.8
179.14404	2.1
184.07335	2.6
189.12874	1.9
193.12238	50.4
195.10156	7.5
195.13785	6.7
196.10484	2.2
211.13277	79.3
227.12798	4.0
239.17976	2.4
247.20573	1.9
249.14758	2.6
255.15871	11.6
257.19016	7.0
267.13034	2.0
267.15897	38.7
269.17447	41.7
275.20071	19.1
276.20554	2.2
285.16965	75.0
286.17328	2.0
289.57819	1.6
349.23669	14.1
367.24829	3.3
387.25372	2.7
396.44714	2.0
439.27032	2.9
443.27985	2.4
447.27448	12.2
461.28952	34.0
465.28381	19.4
466.28723	1.9
479.30014	100.0
480.30292	7.9
541.34845	9.0
559.36310	24.3
577.36902	4.5
581.23407	4.5
623.33899	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	774.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	15.8
55.05505	43.2
57.03435	25.1
59.04995	2.5
61.02914	4.3
65.03918	5.8
67.05496	89.9
69.03417	11.8
69.07058	35.0
71.04996	12.0
71.08378	2.6
71.08708	4.6
76.49423	2.0
79.05486	82.3
81.03410	83.8
81.07047	100.0
81.07527	5.3
83.04974	30.7
83.08607	41.3
85.02893	35.3
85.06532	5.1
91.03943	3.8
91.05471	82.0
93.07035	66.7
93.07619	3.3
95.04957	45.2
95.08591	39.4
97.02882	10.9
97.06516	18.1
97.10155	15.4
99.04416	2.6
99.08060	4.5
105.07017	63.1
107.04934	22.8
107.08576	46.1
109.06498	13.2
109.10140	14.5
111.04435	6.3
111.08074	17.6
115.05439	3.7
116.03725	2.2
117.06999	18.1
119.08569	44.5
120.53330	2.5
121.06506	8.0
121.10115	25.5
123.08051	8.3
123.11666	2.6
125.09606	10.7
127.03880	3.6
129.06999	20.2
131.08563	34.5
133.06473	7.6
133.10118	32.7
135.08066	5.1
135.11652	11.8
137.05920	2.2
137.09671	4.9
141.06938	3.6
142.07721	5.4
143.08578	5.1
145.10095	19.5
147.08037	6.6
147.11667	30.1
149.09593	18.3
149.13240	10.5
151.11218	4.5
157.10106	25.5
159.11691	13.5
161.13252	6.2
163.11121	15.4
165.12787	5.4
169.10143	3.3
169.23676	2.2
171.11658	4.3
173.04495	3.3
173.13234	4.0
175.11256	19.5
177.12708	6.9
179.14227	4.8
183.11739	2.8
189.11240	6.9
193.12231	64.1
195.13741	4.2
197.13229	4.7
211.11316	5.5
211.13278	93.6
211.15297	4.6
215.14267	3.0
227.12706	16.9
239.17934	2.7
255.15941	7.2
257.18781	10.9
260.85382	2.5
267.15897	43.9
269.17462	24.6
275.19995	48.3
285.16940	85.7
286.17279	2.9
293.21201	4.0
331.22571	5.7
349.23685	41.0
350.24103	3.0
381.22336	3.5
435.26688	2.6
437.25604	3.5
443.28244	3.5
447.27310	7.8
455.26242	4.9
461.28882	18.5
463.30283	2.6
465.28296	16.3
479.23453	4.2
479.30054	61.9
480.30511	3.8
503.30032	2.8
541.35138	16.7
559.36200	47.3
560.36328	4.3
577.37201	5.9
623.34045	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	774.462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19250	1.7
55.01868	12.8
55.05503	43.0
55.34119	1.7
57.03431	27.6
57.07075	2.2
61.02892	4.7
65.03927	7.6
67.05498	87.5
69.03416	14.2
69.07059	32.0
70.42239	3.6
70.42638	4.2
71.04971	8.7
73.02905	4.7
75.81175	2.0
79.05482	81.5
81.03410	88.3
81.07046	98.0
83.04971	28.6
83.08611	41.9
85.02895	36.3
85.06520	8.3
91.05472	100.0
93.07036	76.2
93.07632	4.0
95.04958	45.0
95.08595	45.8
97.02865	7.7
97.06513	20.5
97.10145	12.3
99.04455	3.2
99.08069	7.6
103.05480	3.0
105.04510	3.0
105.07014	79.2
106.07316	2.5
107.04955	17.2
107.08581	55.4
109.06491	15.9
109.10144	18.3
111.04446	4.6
111.08083	14.3
113.05956	3.8
115.05440	4.5
116.06215	2.0
117.06998	30.5
119.04987	2.1
119.08572	63.0
121.06479	6.9
121.10130	27.6
123.08049	8.3
123.11695	4.2
125.09608	12.4
127.03883	2.6
128.06209	3.9
129.05499	2.2
129.07008	27.9
131.08559	45.2
133.06464	6.7
133.09122	2.4
133.10110	40.8
135.08025	8.9
135.11691	14.8
137.06006	2.3
137.09569	6.0
141.06960	4.7
142.07748	6.2
143.08534	12.1
145.02802	3.6
145.10104	35.9
147.04428	4.4
147.08002	7.4
147.11676	40.1
149.09604	17.9
149.13239	9.0
151.07536	2.7
151.11182	4.5
157.10133	24.5
159.10471	2.5
159.11690	27.0
161.09604	4.6
161.13232	6.7
163.07527	5.1
163.11134	11.5
164.21802	1.7
165.09082	3.0
165.12741	6.0
167.07069	2.8
169.10097	4.0
171.11682	6.3
173.13277	8.1
175.11174	21.5
175.14717	3.4
177.05449	5.1
179.14200	2.6
181.10164	2.8
181.12236	2.3
183.11694	7.6
184.07343	6.6
185.13307	12.1
187.14706	2.9
189.11179	6.3
189.12798	2.3
193.12228	61.5
195.10170	6.7
195.13722	4.9
197.13229	3.8
199.14827	2.7
201.16307	2.6
203.14317	3.7
211.13254	81.1
211.15250	4.1
212.13643	3.3
213.16417	2.1
217.15874	4.5
219.17470	3.9
227.12770	15.5
229.14247	2.8
229.19432	3.7
239.17862	9.0
247.20584	2.6
249.14903	2.8
255.15782	11.2
257.18936	24.3
267.15866	36.4
269.17404	22.5
274.41534	2.2
275.20029	55.1
285.16937	82.7
286.17169	4.3
291.19440	2.3
293.21213	4.0
313.21423	2.1
331.22778	7.9
349.23697	38.2
367.24521	3.6
388.03479	2.1
447.27188	6.6
461.28842	13.8
463.30545	3.1
465.28558	10.6
479.29916	40.2
480.30206	2.6
488.67273	2.1
501.32083	3.9
503.12234	2.3
522.13641	2.2
523.33502	3.4
541.35175	20.3
559.36310	43.0
560.36426	4.7
577.36621	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.3
55.05505	30.4
57.03188	1.8
57.03435	21.2
57.07059	4.5
59.04976	1.7
61.02920	9.6
64.94859	1.4
65.03922	5.6
67.05500	75.1
69.03423	10.4
69.07060	32.2
71.04980	10.6
71.08626	2.4
71.13176	2.3
71.13512	1.7
73.02901	5.8
73.03309	1.8
77.03894	1.5
79.05487	77.1
81.02921	3.0
81.03408	74.5
81.07048	81.8
82.07381	1.4
83.04971	24.8
83.08608	27.3
85.02895	32.6
85.06525	5.0
86.10730	1.4
91.03936	2.8
91.05470	100.0
93.07036	73.2
95.04955	38.0
95.08595	43.4
97.02893	10.3
97.06519	15.8
97.10178	8.9
99.04449	2.3
99.08065	4.3
103.05450	2.6
105.07020	82.9
106.07320	2.7
107.04957	11.3
107.07875	2.4
107.08581	38.6
109.02802	1.9
109.06493	8.6
109.10144	15.9
111.04412	5.1
111.08064	14.3
113.05992	2.7
115.05449	4.2
117.07011	23.8
118.07387	1.3
119.08568	62.3
120.08902	2.1
121.06477	5.9
121.10136	27.9
123.08051	9.7
123.11671	4.6
125.09587	4.6
127.03889	4.8
128.06218	2.2
129.05504	2.6
129.06995	23.8
131.08557	35.0
133.06439	4.3
133.10110	46.5
135.08028	5.1
135.11678	16.5
137.09598	5.5
137.13158	1.6
141.06949	3.1
142.07755	4.4
143.08536	10.5
145.04958	2.2
145.06439	2.0
145.10106	22.8
147.07982	6.1
147.11662	44.9
149.09593	17.3
149.13246	13.5
151.07558	2.4
151.11148	4.3
155.08528	4.6
157.10121	23.7
159.11687	23.2
161.05971	2.2
161.13249	13.7
163.11139	7.2
163.14899	2.7
165.09074	2.1
165.12753	4.7
168.67706	1.4
169.10110	2.8
171.11667	10.3
173.13223	11.9
175.11177	20.2
175.14810	5.2
177.12770	3.8
179.14259	3.0
183.11700	4.2
184.07344	6.9
185.13177	7.3
187.11078	1.9
187.14828	3.6
189.11215	2.6
193.12219	54.2
195.13792	4.6
197.13211	2.4
197.90038	1.5
199.14850	4.6
201.12659	1.6
211.13266	56.8
212.13600	3.5
213.14685	2.2
213.16496	2.7
215.14424	1.9
215.17786	1.8
227.12645	4.6
229.19264	1.9
231.21030	4.4
239.17906	1.9
241.19490	14.3
257.18961	4.6
259.20535	42.9
267.15857	21.5
269.17435	15.0
275.20007	14.7
277.21536	1.9
283.15439	1.8
285.14066	2.9
285.16965	44.5
293.20944	2.7
299.23700	1.8
315.23151	5.7
333.24207	35.2
349.23615	7.4
390.13757	1.8
433.30585	3.5
443.52759	1.5
451.31769	3.0
461.28702	9.0
469.33224	2.6
479.29962	23.8
479.36746	2.2
525.35431	11.8
543.36743	36.4
559.35846	4.9
564.36292	1.7
576.70190	1.6
577.37219	3.7
590.61389	1.7
775.38379	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	774.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80395	1.3
55.01871	6.6
55.05505	33.4
57.03157	1.3
57.03430	22.1
57.07054	3.5
59.04981	1.4
61.02901	5.5
63.62120	1.2
65.03922	4.8
67.05498	72.5
69.03425	10.6
69.07062	27.1
71.01346	1.2
71.04996	6.0
71.08614	1.6
71.19488	1.7
71.19833	2.7
73.02896	4.5
77.03906	1.9
79.05483	82.2
80.79587	1.3
81.03408	68.4
81.07045	79.8
82.07362	1.3
83.04967	25.7
83.08614	27.2
85.02895	28.2
85.06515	4.7
91.03931	3.1
91.05469	100.0
92.05796	1.6
93.07033	69.9
95.04956	36.6
95.08598	41.0
97.02882	11.4
97.06512	12.9
97.10162	7.7
99.04420	2.2
99.08067	4.9
103.03883	1.2
103.05443	2.3
105.04497	2.0
105.07018	79.2
106.07327	2.0
107.04944	11.9
107.08577	33.2
109.02870	1.4
109.06506	9.6
109.10142	12.0
110.63062	1.2
111.04431	4.0
111.08071	13.7
113.05998	3.0
113.09676	1.3
115.05447	4.1
116.04683	1.6
116.06176	1.4
117.06223	1.9
117.06998	21.2
119.08569	59.2
120.08953	1.7
121.06480	5.0
121.10128	27.4
123.08060	6.9
123.11688	3.7
125.09598	7.5
127.03915	3.2
127.07534	2.0
128.06180	3.1
129.05444	5.6
129.06985	21.8
131.08549	37.7
133.06442	4.1
133.10107	47.6
134.10411	1.2
135.08006	5.6
135.11682	13.8
137.09567	4.4
141.06976	2.3
142.07748	5.6
143.08530	7.1
145.10106	19.1
147.07999	5.4
147.10518	1.8
147.11670	36.4
149.09592	14.7
149.13255	11.6
151.07515	1.9
151.11194	2.9
155.08533	4.3
157.10098	25.1
159.11665	19.2
161.09593	1.5
161.13248	16.4
163.11169	6.3
165.12740	3.4
169.10078	3.3
171.11653	7.7
173.04454	1.7
173.13216	6.1
175.11172	18.4
175.14792	5.8
177.12723	4.8
179.10588	1.5
179.14215	1.6
181.12093	1.5
183.11678	4.0
184.07333	2.0
185.13191	7.0
187.11072	1.9
187.14839	2.0
189.11301	2.4
191.10693	2.1
193.12225	52.8
195.11674	1.6
195.13763	2.8
197.13156	1.7
199.14809	3.4
211.13257	58.0
212.13577	2.6
213.16457	1.7
227.12758	3.0
229.14323	1.9
229.19464	2.2
231.21072	2.6
239.17937	1.7
241.19485	10.3
257.18951	5.2
259.20541	30.9
267.15872	21.2
269.17429	9.0
275.20068	13.9
283.15308	2.2
283.20544	1.5
285.16925	48.7
286.17288	2.1
291.19324	1.6
301.16385	4.4
303.22916	1.3
310.79739	1.5
315.23053	4.1
333.24191	24.2
334.24573	2.1
349.23624	5.1
433.30573	3.6
438.40698	1.5
451.31851	4.5
461.28937	5.5
479.30032	17.4
480.30637	2.0
525.35681	10.6
541.35577	1.6
543.36786	22.8
559.36023	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	774.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84324	1.0
55.01859	3.7
55.05509	21.2
57.03433	19.0
57.07065	1.6
57.32175	1.0
65.03932	4.0
67.05499	67.5
69.03422	4.1
69.07066	17.6
71.04974	3.2
71.19816	2.9
79.05486	47.7
81.03410	91.8
81.07049	67.7
83.04966	7.7
83.08611	25.3
85.02884	2.1
85.06538	3.0
86.09715	1.6
91.04901	2.2
91.05473	36.5
93.07032	49.2
95.04966	33.8
95.08601	49.4
97.02855	2.9
97.06528	3.7
97.10124	7.7
99.08077	2.3
103.05530	1.2
105.07028	28.3
107.04951	8.0
107.08582	27.7
109.06503	5.8
109.10151	22.2
111.04430	2.5
111.08090	7.4
115.05498	1.3
117.06998	9.1
119.04963	1.7
119.08572	30.7
119.53888	1.1
121.06492	4.5
121.10130	28.2
123.04448	2.6
123.08049	4.1
123.11697	8.1
124.99998	1.2
125.09618	6.2
128.06213	1.2
129.07014	12.6
131.08556	22.3
133.06491	4.0
133.10121	17.3
135.08025	3.6
135.11682	14.5
137.09608	2.9
137.13217	2.3
142.07826	2.6
143.08575	3.6
145.10092	12.5
147.08038	4.1
147.11676	15.2
149.09596	6.3
149.13254	10.2
151.11147	1.6
155.08508	1.8
157.10112	15.0
159.11642	9.5
161.13214	6.0
163.11157	3.2
163.14783	6.2
165.12730	2.4
171.11682	3.5
173.13242	8.1
173.48727	1.1
175.11162	12.3
175.14832	3.4
184.07336	3.2
185.13292	2.1
187.14822	4.9
189.11230	3.3
189.12787	1.2
192.42511	1.2
193.12224	26.0
197.13225	1.5
199.14772	1.2
201.16476	1.8
207.13737	1.3
211.13287	1.3
227.12772	8.8
233.15337	1.5
243.21147	5.1
249.14906	2.8
259.13324	1.6
259.20514	1.9
261.22092	19.8
262.22461	1.7
267.15900	100.0
268.16306	1.9
273.15164	1.5
274.34186	1.3
279.23181	1.6
301.14398	1.5
301.25211	5.6
309.16910	2.5
317.24582	3.8
335.25763	93.2
336.26181	2.6
357.28128	1.3
359.25821	1.2
435.27335	2.2
435.32562	5.9
453.33517	9.2
471.34619	4.6
494.22958	1.3
509.36533	1.8
527.37305	56.4
528.37653	4.3
545.38324	43.8
545.46796	2.3
546.38593	1.9
555.55402	1.3
559.39203	1.4
569.38379	4.2
635.39130	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.8
56.38326	1.0
67.05495	2.9
67.46387	0.9
69.03416	2.2
69.07057	2.5
69.73166	2.8
69.73573	3.9
73.02905	0.9
79.05481	2.8
81.03415	2.3
81.07040	4.2
85.02881	2.1
91.05465	2.7
94.06554	6.2
95.04943	2.0
95.08604	1.8
96.08103	1.1
97.02846	2.5
103.05447	1.8
106.06550	1.7
107.04956	1.4
107.08558	1.5
108.08110	6.4
109.02868	2.1
109.06542	1.2
109.10055	1.0
118.06490	1.1
119.04927	1.7
119.08636	1.2
120.08112	2.0
121.06470	1.2
122.06020	10.1
122.09623	1.1
123.04400	2.8
124.07563	5.6
127.03893	2.2
129.06938	1.1
133.10089	1.4
134.06001	2.6
136.07550	6.7
137.05954	5.8
138.05450	1.7
140.07054	7.9
142.08636	3.1
144.08084	1.2
145.06480	1.6
146.06007	9.0
147.04376	3.5
148.07550	8.0
150.09137	1.3
151.03886	3.4
152.07033	3.5
153.05429	1.4
154.08636	2.0
160.07526	1.5
165.05498	1.8
166.08600	1.4
167.07002	4.8
172.03873	1.9
173.04553	1.1
174.05438	4.5
174.09058	1.6
175.03758	1.5
175.07500	2.4
176.07060	4.1
177.05486	3.2
179.87762	1.0
181.04924	1.1
181.08710	1.1
189.05342	1.1
189.12778	1.1
193.08548	1.1
199.70779	1.0
207.06494	1.6
208.09647	1.1
209.07996	1.0
209.10686	2.0
210.11395	1.2
211.12308	3.2
212.13017	1.6
219.10193	1.1
222.11371	1.2
223.10103	1.0
223.12288	3.6
224.12979	2.7
225.10249	5.6
225.13820	6.8
226.10867	2.0
227.11703	7.3
229.13338	1.8
235.08592	2.3
235.12250	4.0
236.09352	1.0
236.12860	1.4
237.10172	10.4
237.13852	3.2
238.11069	6.8
239.11804	16.3
240.12595	5.8
241.09865	1.2
241.13258	5.1
243.11145	1.7
247.12372	1.3
248.09497	3.4
249.10306	8.6
249.13725	1.4
250.10953	9.0
251.07860	1.4
251.11777	31.9
252.08800	1.2
252.10147	1.1
252.12506	10.3
253.09645	1.9
253.13345	22.2
254.14067	3.8
255.11359	1.4
262.10892	1.1
263.11768	21.5
264.08884	4.0
264.12558	8.2
265.09711	10.7
265.13327	26.0
266.10602	8.6
266.13867	7.4
267.11258	9.7
267.14847	3.2
268.11899	1.4
269.12787	4.2
271.14474	1.7
275.11725	2.4
276.09055	2.2
276.12457	1.6
277.09668	8.3
277.13232	3.4
278.10498	8.9
278.13724	2.0
279.11261	65.6
280.11957	18.0
281.12778	17.1
282.13226	1.3
283.10458	1.3
285.12271	2.4
287.14038	1.9
290.10214	1.3
291.11218	19.4
292.11938	5.7
293.12784	26.2
293.16119	1.6
294.13541	4.3
295.10812	6.1
295.14395	5.8
296.11517	1.5
297.12228	9.3
298.13126	2.9
299.13821	8.2
303.11221	1.6
307.10779	2.3
309.12329	6.8
310.12924	4.1
311.10495	0.9
311.13895	19.3
312.14563	3.2
313.11948	2.1
313.15436	7.7
319.10794	19.3
320.11447	3.2
321.12259	10.6
322.12943	1.7
323.10263	1.5
323.13724	5.1
325.11649	3.0
337.11743	5.2
338.12286	2.1
339.13324	9.9
340.14041	1.5
341.14838	4.0
345.14554	1.5
346.15341	1.8
351.13086	1.7
353.15002	4.8
357.15451	1.1
358.15372	1.7
360.16858	2.5
365.15063	1.8
369.14322	3.2
371.15985	5.0
372.17035	1.9
379.12659	1.5
381.14301	3.2
383.16040	2.1
388.16162	1.5
393.14294	1.6
395.15961	4.4
396.17078	1.5
399.15494	1.6
400.16379	6.5
401.17075	1.4
402.17966	1.4
407.16412	1.7
411.15237	2.2
413.17023	2.9
414.17807	2.4
415.14926	1.2
418.17337	1.4
423.15231	1.6
424.16614	1.7
425.17188	2.8
426.18674	1.3
431.18005	1.8
432.18860	2.8
434.20471	3.2
435.15366	2.7
437.17188	2.0
441.16449	5.0
442.17337	5.4
443.18042	3.2
445.14548	1.4
447.15436	1.1
453.16565	5.7
454.17133	3.9
455.18393	5.3
457.16159	2.8
459.17548	1.6
460.18472	3.9
463.14508	3.0
465.16681	2.9
471.17618	4.9
472.18478	1.5
479.18463	1.3
480.21280	2.4
481.16003	9.9
482.16846	4.8
483.17520	5.3
492.21054	4.0
494.22211	1.6
499.17072	1.7
513.18182	3.2
515.20404	7.6
534.21973	1.4
554.24506	1.9
568.21686	4.0
576.23206	2.9
578.24402	1.8
579.22113	2.5
581.23688	14.9
582.24451	21.6
583.24854	2.4
586.21881	4.9
594.24371	33.7
595.24402	3.3
600.23022	1.4
601.26361	1.4
604.22943	6.5
606.24158	3.8
608.22394	11.5
609.22919	7.3
610.23792	7.6
618.24261	1.9
622.23907	100.0
623.24469	10.9
624.25714	5.4
636.25555	9.7
640.24780	4.1
654.26520	56.3
655.26923	8.6
656.27856	1.3
709.28137	2.8
727.29730	10.6
745.30725	81.3
746.30402	4.4
777.32294	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	777.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
57.03436	0.9
65.03937	1.3
67.05495	2.1
69.03417	2.5
69.07064	2.0
69.31413	4.0
69.31841	4.9
77.80653	0.9
79.05489	3.9
80.05004	1.0
81.03400	4.0
81.07053	2.9
85.02908	2.9
91.05481	4.5
93.07055	1.9
94.06569	5.0
95.04958	2.9
95.08582	1.4
96.08097	1.3
97.02907	1.9
98.20663	1.8
99.04396	1.2
103.05479	2.0
105.07007	3.0
106.06561	1.1
107.04937	3.1
107.08582	1.3
108.08115	5.6
109.02866	2.6
109.06483	1.3
109.10081	1.2
116.05013	1.0
117.03378	2.3
119.04915	2.4
120.08116	1.1
121.02855	1.3
121.06504	1.1
121.10117	1.5
122.06035	9.3
123.04392	3.6
123.11827	0.9
124.07589	5.3
125.05943	1.5
126.07410	0.9
127.03876	1.5
131.04910	2.7
131.08551	0.9
133.06503	1.4
134.06046	1.3
135.04445	2.1
136.07555	5.0
137.05951	11.6
138.05461	1.0
138.09151	1.0
139.03876	1.4
140.07034	6.9
142.08617	2.0
145.02841	4.2
146.05988	6.1
147.04390	2.4
148.07579	6.2
149.06010	2.6
150.09184	1.1
151.03905	3.4
151.07503	2.7
152.07098	3.3
153.05351	1.6
154.08629	1.0
161.05974	2.3
162.05432	1.2
163.07497	2.8
165.05476	3.0
167.07021	20.7
172.03935	1.1
174.05510	4.2
174.09154	1.2
176.07100	2.4
177.05479	8.8
177.09088	1.2
179.07059	1.4
181.04913	4.6
181.06372	1.0
184.67249	1.0
189.08987	1.1
190.05028	1.3
191.07037	2.5
193.08614	3.2
195.08006	1.0
203.06984	1.6
204.06528	1.2
205.08511	1.1
207.06432	2.2
209.07994	1.0
211.12346	3.8
212.12915	1.0
213.10378	1.3
222.11530	1.4
223.12321	3.1
224.13193	2.1
225.10266	3.5
225.13849	3.5
226.10760	1.3
227.11809	5.3
230.98030	1.0
235.07675	2.0
235.12263	2.9
236.09589	1.5
237.10210	6.3
237.13799	2.1
238.10995	5.0
239.11783	11.8
240.12527	4.1
241.13351	3.6
248.09538	1.5
249.10101	6.0
250.10977	5.8
251.11778	25.5
252.12540	6.4
253.13351	17.9
254.14128	2.5
255.14857	1.2
263.11789	17.2
264.08890	2.9
264.12500	5.1
265.09702	8.8
265.13327	18.8
266.10464	4.4
266.13934	6.0
267.11255	7.9
267.14932	2.8
268.15561	1.3
269.12708	1.8
271.10739	1.2
275.11771	3.0
277.09613	4.4
277.13440	2.6
278.10526	7.7
278.13290	1.5
279.11273	50.9
280.12012	8.9
281.12863	12.3
283.10056	1.2
285.12286	1.2
291.11270	13.1
292.11954	3.9
293.12827	17.9
294.13397	3.5
295.10690	4.2
295.14374	3.7
296.11618	1.8
297.12344	9.6
298.12927	1.6
299.13879	7.4
299.57925	1.0
300.09747	1.2
307.10556	3.1
309.12198	5.3
310.12939	2.2
311.13870	16.6
312.14725	3.5
313.11786	1.4
313.15329	5.8
319.10812	10.6
320.11481	2.3
321.12360	9.2
323.09705	1.0
323.13879	2.1
325.11713	2.8
326.16135	1.3
327.12427	2.9
329.14685	2.0
337.11700	4.0
337.15359	1.1
338.12534	2.5
339.13425	6.1
341.14398	2.2
346.15591	1.3
351.13437	2.2
353.14865	1.6
357.13644	1.3
358.15555	1.7
359.14969	2.3
371.15167	4.6
372.16934	1.3
381.14447	2.2
383.15851	1.9
390.18375	1.4
395.16000	4.7
396.16724	1.1
399.15674	1.8
400.16547	6.9
401.16330	1.6
402.18207	1.3
405.19217	2.2
407.15604	1.3
408.50201	1.0
411.15662	2.6
412.16101	1.9
413.16736	2.2
414.17993	2.0
423.15045	2.2
424.16635	1.3
425.16940	3.0
431.18048	1.5
432.19299	1.4
434.20837	2.6
435.15390	2.7
436.16205	1.9
437.17053	1.9
441.16495	4.0
442.17404	3.1
443.18198	2.7
451.15222	1.2
452.21515	1.2
453.16571	6.0
454.17471	2.4
455.18231	3.6
460.18466	2.5
463.14822	3.0
465.16577	3.2
469.15503	1.4
471.17621	5.1
472.17969	2.1
481.16251	8.8
482.16495	4.7
483.17548	4.0
494.22583	1.5
499.17352	1.2
515.20294	1.9
534.22302	1.6
568.21112	3.0
570.23285	1.3
576.22913	2.9
579.21594	2.4
581.16571	1.1
581.23755	10.8
582.24500	13.5
586.21600	2.4
594.24487	30.2
595.25562	2.1
604.22552	4.2
606.24146	2.8
608.22302	11.2
609.23029	8.1
610.23840	7.5
622.23883	100.0
623.24573	7.9
624.25391	2.9
636.25128	2.9
640.24866	8.7
654.26544	45.3
655.27295	6.6
709.28149	2.2
727.29681	10.5
745.30707	43.5
746.30182	3.3
777.31171	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	778.537
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05033	0.8
57.07022	0.1
58.06631	0.4
59.07396	0.2
60.08159	6.6
63.58550	0.1
67.05495	0.3
69.07061	0.1
69.83849	0.5
70.06573	0.1
71.07368	3.6
78.63871	0.1
79.05490	0.1
80.94927	0.1
80.97392	0.1
81.07042	0.1
86.09698	32.6
87.10028	0.4
91.05506	0.1
93.07027	0.2
95.08595	0.2
98.98457	3.6
104.10733	2.1
104.54255	0.1
105.07048	0.1
105.73767	0.1
116.99494	0.1
119.08549	0.1
124.99995	22.5
139.07837	0.1
143.01041	0.4
166.02658	0.2
172.69342	0.1
184.07326	100.0
185.07700	0.7
197.06120	0.1
203.89182	0.1
405.49078	0.1
476.28204	0.1
518.32269	0.3
552.26227	0.1
778.53699	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
65.26252	1.8
67.05488	6.8
69.03417	2.2
69.26688	15.4
69.97475	2.1
75.99999	1.4
81.03410	4.5
85.02906	2.6
86.09677	2.0
91.05458	2.1
93.07072	1.8
94.06556	6.6
97.02875	1.7
97.21604	1.5
98.20791	2.9
105.06970	2.1
108.08084	4.0
109.02824	1.8
109.06522	1.8
120.08083	1.8
122.06016	18.2
127.03860	4.5
134.06010	3.5
136.07541	9.8
137.05962	12.4
141.68912	1.7
146.06082	3.1
148.07585	8.8
152.07024	2.3
164.07062	4.5
165.03119	1.6
166.08598	4.0
167.07008	3.7
177.05399	2.5
184.07343	12.1
204.06483	2.1
209.10901	1.7
211.08682	2.0
221.10820	1.9
222.11380	2.3
223.08568	7.6
223.12137	3.9
225.10179	20.4
225.13733	3.7
227.11731	6.3
235.08644	6.2
235.12169	2.4
236.09406	6.2
237.10222	11.9
237.13849	7.2
238.11005	10.9
239.11737	19.0
239.15300	1.8
240.12479	5.8
241.13252	3.2
248.09540	3.8
248.12967	2.1
249.10228	15.3
249.13873	1.8
250.10960	18.9
251.07988	4.6
251.11765	64.4
252.12517	10.9
253.13292	10.7
263.11774	35.6
264.09863	1.4
264.12521	10.2
265.09790	9.6
265.13333	68.3
266.10449	5.9
266.14020	7.0
267.11230	4.4
267.14893	7.8
268.12079	3.3
275.11523	4.1
277.09702	4.9
277.13223	2.6
278.10492	8.3
279.11252	28.7
280.12036	5.3
281.12787	10.0
283.10748	12.2
285.12286	2.5
291.11230	7.4
292.11951	2.7
293.12830	31.0
294.13504	2.7
295.11087	3.6
295.14365	10.1
296.11563	6.1
297.12354	10.6
298.13101	6.0
299.13861	7.2
303.11298	2.8
307.10602	3.9
309.12268	19.0
310.12939	6.4
311.10254	2.5
311.13873	49.0
312.14423	1.6
313.15366	7.1
319.10812	5.6
321.12396	10.0
323.13870	2.4
325.11807	2.1
325.15387	3.9
335.13947	2.3
337.11935	7.7
338.12451	3.9
339.13403	13.8
341.14630	1.8
344.17636	2.0
351.13300	9.9
353.14914	26.6
355.16306	2.8
358.15442	2.6
369.14426	17.6
370.15530	1.7
371.15979	32.3
372.16977	4.8
381.14462	4.8
383.15881	5.4
386.18381	3.5
387.14340	4.2
400.16672	2.5
411.15475	10.9
413.17017	22.4
414.17825	6.9
416.19519	6.8
419.15936	1.9
432.19260	7.7
437.16830	4.6
439.14749	3.0
441.16510	5.6
442.17456	5.2
443.18091	3.6
447.15585	2.5
453.16626	2.7
455.18280	10.9
460.18600	11.8
464.21820	4.0
465.16379	6.1
471.17563	16.7
473.19083	26.7
474.20251	16.6
479.17996	3.8
481.16077	4.1
483.17572	7.8
492.21262	19.9
497.19034	6.9
499.16852	3.5
501.18567	8.2
513.18475	15.2
514.19287	2.7
515.20209	30.0
531.19690	18.5
533.13580	3.1
533.21240	51.9
534.22119	24.7
540.21155	4.2
542.22632	4.4
558.22009	5.3
568.20966	8.0
572.23627	4.3
576.22925	3.4
582.22711	2.1
584.24298	2.6
585.26868	13.0
586.21570	20.3
590.24457	2.7
594.24353	4.6
600.23218	25.0
601.22992	2.3
603.16803	2.0
603.25409	9.7
604.22571	17.3
617.29712	2.9
618.24402	44.1
621.26422	2.9
622.23840	14.1
636.25458	100.0
637.25671	4.8
639.28326	2.5
654.15192	3.7
654.26428	71.4
655.26581	3.8
659.30176	2.6
667.84534	1.8
693.28693	7.1
707.30524	10.4
711.29871	2.1
725.31702	11.8
743.32159	2.3
761.33167	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	779.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05505	2.1
55.17201	1.1
57.03437	2.7
61.02930	6.9
67.05507	4.6
69.03432	2.6
69.07066	2.4
71.01343	0.8
71.04972	1.0
71.52207	0.7
71.52605	0.9
73.02908	4.5
78.93519	0.8
79.05476	4.8
79.64285	0.8
81.03400	4.9
81.07040	5.1
83.04966	1.0
83.08627	1.5
85.02889	5.3
86.09706	1.6
87.04460	1.0
90.36242	0.8
91.03943	4.1
91.05489	5.1
93.07027	4.3
95.04981	2.5
95.08617	2.4
97.02899	6.8
101.02399	2.7
105.07009	4.1
107.04984	1.1
107.08596	2.4
109.02865	1.9
109.10148	1.8
109.70354	0.9
119.08572	3.2
121.10158	1.8
124.99969	1.0
127.03925	1.8
129.07014	2.0
131.08644	1.6
133.10129	1.8
145.10098	1.5
145.94429	0.9
147.11732	3.1
149.09689	1.2
151.07549	1.2
157.10146	1.1
165.09204	1.1
171.11768	1.3
184.07390	4.2
185.04219	2.4
193.12274	2.5
196.97482	0.9
203.05389	1.3
211.13298	1.1
215.18446	0.9
243.08327	4.9
247.13020	1.7
251.12723	1.8
263.56638	0.8
277.14188	1.2
286.73618	1.0
301.08929	5.0
345.77667	0.8
373.11221	1.2
385.18347	2.8
428.40494	0.9
465.21021	10.4
469.20499	20.5
513.27716	1.1
525.23065	5.9
531.29193	1.8
535.28577	4.2
551.27802	1.3
594.30365	1.3
607.31201	2.4
609.32733	1.3
663.33893	3.3
677.38489	1.3
681.34698	3.1
693.34497	100.0
694.35181	5.6
695.39496	1.0
761.40570	9.1
779.41779	41.5
780.41998	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	779.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.7
57.03428	1.9
57.19923	0.4
59.91483	0.4
60.08146	0.8
61.02925	4.7
65.98827	0.4
67.05497	4.1
69.03423	2.9
69.07054	2.2
69.99354	1.1
71.01339	0.5
71.04968	0.5
73.02901	3.0
79.05479	4.0
81.03410	4.3
81.07053	3.9
83.04983	0.9
83.08591	1.2
85.02901	6.6
86.09693	3.1
91.03948	2.4
91.05474	4.0
93.07037	2.8
95.04938	1.9
95.08595	1.5
97.02881	4.7
97.06498	0.8
97.10193	0.8
99.04433	0.8
101.02367	2.0
103.03995	0.5
105.07029	2.3
107.04987	0.8
107.08604	1.6
109.02883	0.7
109.06456	0.7
109.10130	0.7
111.08089	0.7
117.07059	0.7
119.08564	1.9
121.10163	1.3
123.08091	0.4
125.00002	2.0
127.03928	1.3
129.05492	0.5
129.06981	0.8
131.08574	1.2
133.10130	1.6
135.08002	0.4
135.11700	1.0
145.10123	0.6
147.11661	0.9
149.09604	0.5
157.10127	1.1
163.03983	0.5
175.11238	0.8
184.07314	11.6
185.04199	0.5
185.07715	1.7
193.12230	1.0
203.05321	0.5
243.08362	3.6
251.12518	0.8
333.20316	2.4
345.99030	0.4
389.22971	0.7
439.19043	0.7
469.20450	10.2
526.07007	0.5
551.28296	4.3
681.34265	0.8
710.00415	0.5
779.41760	100.0
780.42468	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	779.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.9
55.05494	1.8
57.03434	1.9
57.46690	0.7
60.08154	1.1
61.02921	7.4
67.05494	5.4
69.03427	2.9
69.07069	1.7
69.47129	3.4
69.47559	2.8
71.04971	1.3
73.02898	4.0
79.05481	3.5
81.03419	3.1
81.07043	4.3
83.08614	1.3
85.02882	4.1
86.09712	3.2
91.03969	2.9
91.05484	3.2
93.07014	4.8
95.04944	1.1
95.08597	3.8
97.02884	5.9
98.98457	1.1
99.04456	1.6
101.02390	2.1
105.07048	1.8
107.08611	2.2
109.02848	1.3
109.10177	1.2
109.53094	0.7
117.06950	0.8
118.65096	0.7
119.08555	1.9
121.10163	2.3
124.99988	2.4
127.03954	2.2
131.08568	1.0
133.10127	1.0
147.11752	1.3
149.09630	1.4
161.13263	0.9
175.11255	0.7
184.07320	9.2
185.07788	1.9
197.51813	0.8
203.05370	1.1
243.08435	2.7
274.58871	0.7
283.06265	1.3
283.14984	4.5
335.25867	1.5
445.71121	0.8
466.71823	0.7
501.22888	7.3
519.29034	5.5
547.57654	0.8
630.52075	0.9
690.89417	0.8
696.73322	0.8
779.45471	100.0
780.45648	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	780.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.6
58.06624	0.4
59.07377	0.1
60.08157	5.8
60.72107	0.1
67.05498	0.2
69.07058	0.1
69.19090	0.8
70.06578	0.1
71.07370	3.2
79.05508	0.1
81.07024	0.2
83.08630	0.1
86.09695	27.7
87.10031	0.4
93.07026	0.2
98.98450	3.3
104.10727	1.7
107.08588	0.1
116.99476	0.1
120.93150	0.1
124.99989	19.6
126.00407	0.1
143.00989	0.4
166.02597	0.2
184.07317	100.0
185.07684	1.3
203.98444	0.1
233.36504	0.1
780.55200	1.7
781.54822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.1
55.05506	20.2
57.03435	22.1
57.07072	45.5
59.04980	1.7
65.03932	2.0
67.05502	35.4
67.23554	1.4
69.03423	5.9
69.07061	13.8
71.04988	6.4
71.08630	31.6
73.02911	2.1
79.05481	27.9
79.33336	1.5
81.03409	71.2
81.07047	39.3
81.07523	2.0
82.80055	1.3
83.04971	22.7
83.08607	30.6
85.02895	21.6
85.06539	2.3
85.10175	17.4
86.09702	4.4
89.06025	3.4
91.05473	36.1
93.07040	17.8
95.04961	25.6
95.08601	30.9
97.02924	3.4
97.06526	5.9
97.10156	10.7
99.04453	3.4
103.05489	1.6
103.07602	1.9
105.07014	22.1
107.04951	7.6
107.08577	7.9
109.02873	4.9
109.06510	5.5
109.10163	10.1
109.10806	1.7
110.03648	2.3
111.04422	4.0
111.08067	9.2
112.57935	1.3
113.06042	2.1
117.06977	2.2
119.08580	20.2
121.06484	1.5
121.10133	9.2
123.08057	2.1
123.11698	6.0
125.00019	3.6
125.09657	2.4
127.03927	2.0
129.06998	12.3
131.08577	10.9
133.06485	3.1
133.10110	16.5
137.09590	1.6
137.13239	2.0
142.07761	2.2
147.08029	3.6
147.11679	17.0
149.09618	6.2
156.41202	1.4
157.10106	16.7
163.11212	1.8
165.12807	3.1
175.11180	14.9
184.07326	13.3
191.00044	2.6
193.12230	53.2
194.12613	2.6
211.13277	84.8
212.13623	2.7
239.23717	3.8
267.15915	32.7
268.16595	1.6
285.16931	62.1
286.17490	2.1
313.27347	83.8
314.27756	4.2
493.17288	3.8
505.38831	26.3
511.18375	6.2
523.39874	100.0
524.40247	8.6
539.28687	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	784.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
56.05030	0.7
67.05479	0.6
68.05020	0.5
69.07056	0.9
69.29502	1.8
69.29931	0.8
71.08618	1.0
72.73215	0.3
79.05480	0.8
81.03396	0.3
81.07040	0.7
86.09697	100.0
87.10025	1.1
91.05468	1.1
93.07039	0.9
95.08611	0.5
98.09679	1.5
103.05464	1.0
105.07021	2.0
107.08569	0.2
107.68987	0.3
109.10172	0.3
110.09686	0.4
112.11221	6.5
116.52708	0.3
119.08534	0.3
120.08090	42.1
121.08456	0.6
131.11792	0.3
132.08083	0.5
138.34277	0.2
143.08264	0.2
146.09631	1.9
150.84041	0.2
154.15887	18.9
155.16237	0.5
156.40063	0.3
157.13345	11.7
158.13904	0.3
167.11731	0.3
185.12836	13.5
188.14326	7.1
191.11769	0.7
199.18034	14.9
209.16461	0.6
219.11284	0.9
221.38618	0.2
225.19601	6.7
227.17514	13.3
228.17834	0.3
233.16463	15.4
234.16762	0.6
235.18018	0.5
243.14804	0.6
253.19089	6.3
254.19478	0.3
259.18048	2.3
261.15948	13.7
262.16415	0.6
267.24292	7.9
268.24661	0.3
277.22614	0.7
280.20169	0.5
287.17554	3.0
295.23773	3.6
298.21231	7.1
301.22739	7.5
304.23895	0.3
311.20898	0.5
329.22244	3.9
332.19662	5.1
333.19897	0.3
340.25824	2.8
356.23337	0.6
366.27435	2.5
374.24329	4.3
375.24701	0.3
383.29926	1.4
400.25919	2.4
408.32068	0.7
411.29660	5.2
417.28699	1.3
421.27744	0.3
425.34637	0.4
442.30734	1.8
445.28067	4.4
453.33914	0.7
459.33365	1.6
459.39078	0.4
479.35843	2.0
487.32681	2.3
491.01343	0.3
496.38382	1.0
497.30807	0.7
513.34308	3.9
524.37921	3.6
530.37183	2.7
540.35742	0.3
555.39276	1.7
558.36389	9.0
559.36188	0.8
568.34418	0.6
572.41418	0.6
592.44312	1.4
598.42908	0.4
600.41138	1.2
609.46515	0.5
623.43018	0.3
626.32745	0.3
626.42700	6.0
627.42810	0.6
630.87781	0.3
637.46320	1.7
643.45251	4.5
644.44940	0.3
653.43298	0.8
668.47278	0.6
671.44830	14.2
672.44525	0.9
713.48834	0.4
739.50854	2.5
740.50189	0.4
756.40637	0.3
756.53741	5.8
757.53473	0.6
766.52441	1.8
784.53180	6.2
785.52228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.527
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.5
58.06588	0.3
60.08160	3.9
62.93723	0.2
70.92496	0.2
71.04471	0.3
71.04797	0.4
71.07377	1.7
86.09701	20.6
87.10000	0.2
98.98459	1.6
104.10725	2.3
124.99999	12.3
130.58310	0.2
184.07329	100.0
185.07704	1.1
208.91696	0.2
260.27530	0.2
268.38181	0.2
315.68149	0.3
369.16467	0.2
496.33783	0.4
551.41736	0.2
734.36218	0.3
757.30920	0.3
786.52789	6.6
787.53522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	16.8
55.05504	39.1
57.03423	14.5
57.07057	5.6
61.02923	17.7
65.03927	6.8
67.05496	90.4
69.03423	27.6
69.07061	38.4
69.36916	18.7
69.37344	3.7
71.04976	10.5
73.02899	6.1
78.79968	2.3
79.05486	68.6
81.03401	28.3
81.06585	4.5
81.07050	83.4
83.04955	11.2
83.08606	22.9
85.02893	22.8
85.06524	4.1
86.09690	4.0
91.03966	5.9
91.05470	71.4
93.06480	5.0
93.07036	68.6
95.04970	19.2
95.08598	57.3
97.02884	25.5
97.06523	20.4
97.10142	13.4
99.08068	3.8
103.05388	2.9
105.07021	54.3
107.04933	10.1
107.08584	41.5
109.02846	6.6
109.06509	8.6
109.10138	26.5
111.04420	4.8
111.08072	6.9
115.05389	5.2
116.06261	3.0
117.07012	30.2
119.08562	48.4
121.06461	5.0
121.10130	26.2
123.08050	7.5
123.11673	6.9
125.09618	8.5
127.03887	5.9
128.06183	6.8
129.05522	2.8
129.06998	22.3
130.07709	3.0
131.08549	34.6
133.06517	3.4
133.10118	34.2
135.08022	7.5
135.11650	13.1
137.09615	5.1
141.06937	12.1
142.07768	3.9
143.08543	32.0
145.09071	2.4
145.10117	32.7
147.08006	6.5
147.11667	24.9
149.02341	25.8
149.09586	10.7
149.13242	9.6
150.02646	7.9
151.07564	3.5
153.06920	4.2
155.08553	19.6
157.10107	26.2
159.11705	26.1
161.09639	3.3
161.13225	12.0
163.11116	6.7
165.06970	2.5
167.08527	11.0
169.10118	23.8
171.11662	23.5
173.04478	6.4
173.09566	2.8
173.13231	15.7
175.14784	6.9
177.12738	5.1
179.08488	5.1
181.10069	8.8
183.11688	21.2
184.07315	3.9
185.13171	15.7
187.11031	3.1
187.14810	7.9
189.11116	4.5
191.14218	2.9
193.04947	23.7
193.10085	3.5
194.05264	10.3
194.10953	4.3
195.11671	10.6
197.13206	14.4
199.14812	10.1
201.16331	4.9
207.11682	5.9
209.13165	11.3
211.14780	8.9
213.16388	6.2
221.13264	5.1
223.14787	7.9
225.16367	4.5
227.12698	7.5
227.17918	3.7
227.20029	5.4
228.20416	4.7
229.14320	4.0
237.16341	4.5
241.19493	9.1
255.17601	2.8
257.18811	6.0
259.20483	10.8
273.18475	4.9
275.20105	15.7
279.21060	3.2
297.21909	3.3
309.21973	3.1
333.24146	10.2
335.25717	7.8
339.23203	3.9
349.23892	5.3
365.28571	3.3
379.29971	3.2
385.27939	2.6
421.31342	5.3
489.35016	2.7
495.34363	3.7
498.56180	2.6
513.35748	26.7
515.37646	7.9
525.36145	3.0
527.37006	7.7
533.39709	8.3
545.38245	3.6
551.40210	3.3
579.80280	3.0
597.44434	3.1
607.43518	46.0
608.43671	6.7
611.46387	4.4
625.44525	100.0
626.44806	9.5
689.42413	3.7
715.44867	2.9
731.74554	2.8
760.18640	3.0
769.47601	6.0
770.16864	6.6
787.49945	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	787.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	19.8
55.05508	37.8
57.03430	14.4
57.07053	3.6
61.02926	15.8
65.03938	7.5
67.05502	87.7
67.71658	3.2
69.03416	20.6
69.07063	38.1
69.27953	10.1
69.28371	18.8
71.04974	12.6
73.02907	7.4
78.37229	2.8
79.05485	60.9
81.03414	32.1
81.06581	5.7
81.07050	85.9
83.04972	9.0
83.08616	22.5
85.02907	16.9
87.92411	3.0
90.11543	2.9
91.03960	9.0
91.05471	64.9
91.06017	4.7
93.07035	56.8
93.25136	2.6
95.04453	3.2
95.04946	17.5
95.08601	52.6
97.02872	18.4
97.06520	16.8
97.10156	13.3
99.04426	4.8
99.08105	3.6
103.05499	3.2
105.07029	52.3
107.04957	8.2
107.08581	37.8
109.02856	8.9
109.06487	10.1
109.10148	34.0
111.08064	7.6
112.25050	2.7
115.05450	5.5
117.07010	24.8
119.08571	51.8
121.06503	6.1
121.10130	22.5
123.08066	10.0
123.11689	8.9
125.09631	9.3
127.03896	14.1
128.06236	3.6
129.05519	3.6
129.06990	25.1
131.08569	40.9
133.10117	36.4
135.08070	6.8
135.11691	13.3
137.09596	3.6
141.06956	9.5
142.07758	5.4
143.08545	28.0
145.10121	30.1
147.08026	6.7
147.11681	22.8
147.56122	3.4
149.09625	6.7
149.13281	9.2
155.08525	20.1
156.09309	4.0
157.10121	28.8
159.07967	4.2
159.11691	24.8
161.09581	3.5
161.13284	14.0
163.11223	4.4
163.14848	3.9
167.08527	6.6
168.42403	2.9
169.10118	22.4
171.07983	4.3
171.11658	25.0
173.04463	10.9
173.09586	4.8
173.11771	7.7
173.13264	22.1
175.14816	4.8
179.08569	5.8
181.08623	3.3
181.10104	12.3
181.11751	2.3
181.12033	2.3
183.11649	18.3
184.07390	4.0
185.09673	3.2
185.13216	19.6
187.11255	3.2
187.14772	5.4
193.10120	5.3
195.11826	14.1
195.13403	3.2
197.13248	14.8
199.11142	3.5
199.14859	9.5
201.16350	6.0
203.14282	2.7
205.10158	2.7
207.11745	6.4
207.47562	3.1
209.13214	6.8
211.14850	6.8
213.16342	5.8
215.18010	3.7
221.13277	6.6
223.14857	7.7
225.16438	4.2
227.12621	5.3
227.17999	4.3
229.14275	7.1
231.17372	3.6
235.14870	5.7
237.16357	6.3
239.17902	7.1
241.19470	4.7
255.17476	3.0
257.19077	6.9
259.20499	9.0
275.20096	11.6
289.21448	3.9
297.22046	4.0
299.20068	3.2
313.21811	3.2
315.23114	3.6
327.23038	3.7
331.22827	3.2
333.24457	6.8
335.25906	4.3
339.23264	4.0
349.23694	7.0
379.29929	4.6
397.30927	3.3
421.30881	6.0
439.31970	3.7
499.33331	3.0
513.35730	24.3
515.38965	7.1
527.37103	12.7
533.39850	6.5
541.35028	3.5
551.40674	4.8
555.36993	4.7
589.41553	4.4
607.33978	5.0
607.43414	59.1
608.43835	5.4
623.44299	3.7
625.44513	100.0
626.44861	11.7
689.41333	3.9
733.46149	4.2
769.48370	10.8
787.49713	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	787.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	19.6
55.05503	36.5
56.05615	4.0
57.03423	14.5
57.07056	9.3
57.67021	4.5
61.02921	10.6
61.76802	4.4
67.05498	76.3
69.03411	17.5
69.07072	30.9
69.67982	4.5
71.04990	8.0
71.53195	5.3
79.05486	70.1
81.03409	46.0
81.06591	6.2
81.07054	100.0
83.04971	12.7
83.08617	14.9
85.02891	9.2
85.06548	8.2
89.03030	4.6
91.03926	5.5
91.05470	75.8
93.07042	67.4
94.07381	4.7
95.04929	22.7
95.08594	56.1
97.02885	12.3
97.06516	25.2
98.94376	4.7
105.07027	77.3
107.04961	14.2
107.08578	45.8
109.02878	8.2
109.06520	7.8
109.10187	23.5
111.04427	5.5
111.08065	7.8
115.05450	4.9
117.07026	28.8
119.08565	51.3
121.06538	4.9
121.10118	27.7
123.08070	5.5
123.11708	7.5
127.03931	7.7
128.06209	7.5
129.06973	13.3
131.08553	37.6
133.06490	6.1
133.10117	41.0
135.08070	6.5
135.11710	23.0
137.09644	5.5
141.06934	5.0
143.08539	17.9
145.06400	5.5
145.10088	33.2
147.11694	23.4
149.09616	6.9
149.13229	8.9
151.11180	6.5
155.08600	7.9
157.10115	17.8
159.11694	23.7
161.13242	14.6
169.10109	12.6
171.08125	5.0
171.11676	15.9
173.04439	13.7
173.13255	13.7
175.11169	5.8
179.14340	9.7
181.10088	7.4
183.11633	11.4
184.07268	9.3
185.13208	9.3
187.14835	5.3
195.11632	4.7
197.13219	9.8
209.13245	6.8
211.11028	4.6
241.19443	10.1
257.19092	6.6
259.20605	12.6
260.21182	5.0
267.15973	10.2
275.20081	27.6
277.21564	6.1
333.24115	21.5
335.25891	10.0
349.23761	16.2
513.01239	5.1
527.37000	9.1
607.43451	37.4
625.44818	38.0
626.44879	5.8
628.45746	9.4
689.43018	7.0
787.47766	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	788.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.8
57.02404	0.1
58.06622	0.6
59.07386	0.2
60.08156	5.6
64.35827	0.2
67.05508	0.2
69.39280	1.5
70.06602	0.2
71.07362	3.2
71.12129	0.1
79.05506	0.2
81.15955	0.2
86.09693	27.7
87.10007	0.2
98.98450	2.7
104.10725	2.6
105.07016	0.2
121.06498	0.3
124.99984	19.1
135.08035	0.4
143.01053	0.3
163.07542	0.4
176.84798	0.2
179.76326	0.2
183.67505	0.2
184.07312	100.0
185.07660	0.7
195.10185	0.9
196.10527	0.2
207.49994	0.2
432.18964	0.2
434.24307	0.2
447.21100	0.3
461.22754	0.4
462.23486	0.3
496.33670	0.4
533.24963	0.6
534.25629	2.1
593.27551	1.1
594.27747	2.9
595.27698	0.3
690.46930	1.1
770.53265	0.9
779.34436	0.2
788.38708	0.3
788.53992	2.6
789.53790	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	12.0
55.05264	3.3
55.05507	35.1
57.03434	34.9
57.07067	1.7
61.02914	5.3
65.03928	6.7
67.05498	83.1
69.03422	23.7
69.07058	63.4
71.04984	30.8
71.14072	5.1
71.14516	1.7
73.02905	7.5
76.02629	2.1
76.75224	1.9
77.03926	2.4
79.05485	93.5
81.03407	91.7
81.07046	89.5
81.07439	1.6
83.04980	32.3
83.08603	31.5
85.02894	39.9
85.06537	6.6
86.09712	1.9
89.30535	1.7
91.05468	92.9
93.07031	78.1
93.07629	3.1
95.04962	45.1
95.07982	1.9
95.08590	41.7
97.02883	16.6
97.06518	100.0
97.10151	8.2
99.04470	4.3
99.08084	10.0
103.03915	3.3
103.05438	5.0
105.04543	3.3
105.07019	60.9
107.04942	23.7
107.08582	36.0
109.02862	6.5
109.06499	27.4
109.10144	12.4
111.04422	5.6
111.08070	24.7
113.02342	1.6
113.05991	4.9
115.05444	5.0
115.07555	30.4
116.06286	2.7
117.06997	22.4
119.04935	5.1
119.08569	40.9
119.09363	3.4
121.06500	12.6
121.10130	22.3
123.04393	4.0
123.08062	12.0
123.11688	6.1
125.05972	3.5
125.09620	6.9
127.03883	8.8
127.07550	5.3
128.06166	3.6
129.05510	3.2
129.06989	26.0
131.04878	1.9
131.08545	36.4
133.06483	9.7
133.10118	34.8
135.04428	2.0
135.08029	16.0
135.11661	12.5
137.05966	5.1
137.09592	5.9
141.06943	3.3
142.07753	5.7
143.08549	11.0
143.10622	2.9
145.06506	4.2
145.10091	18.0
147.04405	3.5
147.08054	12.0
147.11674	24.1
149.05972	2.3
149.09608	16.0
149.13231	9.4
151.07555	4.0
151.11162	5.6
155.08530	4.2
157.10114	23.2
159.08105	5.5
159.11653	12.3
161.09595	9.0
161.13278	3.1
163.11168	9.0
165.05559	2.7
165.09160	2.4
165.12775	4.1
167.07007	5.1
167.08472	3.0
169.10167	2.5
171.11682	5.5
173.04468	8.8
173.05711	1.8
173.09570	6.4
173.13269	4.7
175.11160	23.1
175.14699	2.2
177.05478	4.3
177.12766	5.7
181.04924	6.2
181.10158	2.6
181.12262	2.5
182.05225	1.9
183.11737	2.9
184.07310	3.2
185.09596	2.2
185.13222	5.1
187.11325	2.6
187.14745	2.9
189.08922	2.1
189.11208	2.2
189.12727	2.1
191.07007	3.2
191.14285	2.3
193.08559	1.8
193.12225	61.7
194.12515	2.0
195.11702	1.8
195.13779	6.5
199.11203	2.4
199.14763	4.1
201.07574	2.6
203.14345	2.4
207.06454	2.1
211.13254	82.8
213.12691	2.7
217.15895	11.4
219.13745	2.3
227.12817	5.5
227.17920	3.3
233.15382	3.4
237.16530	2.0
245.18956	7.4
251.16476	1.9
253.14302	7.2
255.17580	4.0
267.15887	30.7
269.17426	27.0
273.18457	47.6
275.20160	3.5
279.15903	2.4
283.15387	1.9
284.02890	1.7
285.16925	70.0
289.18143	1.8
291.19522	26.6
307.19043	5.9
315.19281	2.3
329.21387	1.8
329.25787	1.8
347.22107	15.2
365.23175	15.0
383.24054	2.3
388.96738	1.9
416.14542	2.2
447.28537	2.4
461.28964	16.7
465.28949	3.0
479.29990	33.0
499.30386	2.5
505.32135	1.8
517.31177	3.1
539.33453	4.6
557.34619	12.1
575.35565	15.6
593.36420	6.8
682.05042	2.2
767.75110	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	790.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	21.7
55.05503	39.8
55.14408	1.2
57.03431	25.7
57.07063	4.1
57.50565	1.4
59.04982	1.8
61.02925	6.8
65.03930	4.2
65.74352	1.2
65.87196	1.2
67.05494	100.0
68.05839	1.3
69.03412	13.2
69.07057	56.3
69.70518	5.4
69.70924	3.1
71.01340	3.0
71.04980	11.8
73.02910	3.2
79.05482	75.1
81.03406	54.8
81.07044	81.8
82.04186	1.4
83.04972	23.2
83.08608	32.7
85.02891	29.2
85.06539	5.3
89.37810	1.3
91.03947	2.7
91.05466	81.6
93.07031	64.1
93.07628	2.8
95.04361	2.6
95.04957	40.2
95.08592	46.6
97.02879	10.1
97.06516	25.9
97.10146	15.5
98.07311	2.6
98.20734	1.6
99.04439	2.9
99.08063	4.6
103.05444	2.1
105.04548	1.6
105.07017	59.5
107.04946	21.1
107.08570	32.7
109.02879	3.6
109.06491	9.7
109.10139	37.3
111.04427	3.3
111.08060	13.4
112.97498	1.4
113.05997	2.5
113.09622	1.7
115.05432	3.3
116.04710	4.4
116.06231	1.8
117.07004	17.5
119.04861	1.8
119.08566	48.5
120.05700	1.4
120.44343	1.2
121.06492	7.6
121.10136	19.9
123.08054	8.5
123.11684	4.1
125.09619	15.6
127.03908	3.0
128.06206	2.2
129.05486	12.1
129.06975	16.1
131.08543	30.5
133.06488	5.9
133.10106	35.5
135.08034	7.3
135.11682	11.3
137.05956	1.7
137.09589	16.1
139.07509	1.8
139.11150	1.9
141.07033	2.6
142.07767	3.6
143.07083	3.0
143.08548	5.7
145.06465	1.9
145.10107	19.9
147.08057	4.5
147.11664	23.9
149.09590	27.7
149.13260	7.9
151.07532	2.3
151.11165	3.2
153.09140	1.8
155.08557	2.7
155.10712	2.4
157.08644	6.3
157.10110	17.8
159.08049	1.7
159.11687	15.9
161.09630	4.4
161.13223	6.6
163.11176	14.2
165.09132	2.7
165.12752	5.5
169.10098	3.6
171.10272	3.1
171.11691	5.8
173.09944	1.3
173.11720	8.8
173.13269	6.5
175.11177	15.6
175.14954	1.3
177.12753	4.8
179.14291	4.1
181.12262	1.4
181.50810	1.5
184.07329	3.8
185.13242	3.2
187.11092	2.3
187.14713	2.3
189.11098	6.3
191.10632	1.7
193.12216	39.6
195.13690	3.8
197.13202	1.6
199.13254	4.9
205.12366	1.7
209.11653	2.8
211.13242	39.3
215.14319	1.8
227.12770	15.4
229.14265	8.1
229.19466	2.3
239.17995	3.7
241.19540	1.7
247.20612	3.2
253.18010	1.6
255.15900	3.9
257.18954	10.1
259.20547	2.7
267.15878	20.7
269.17349	9.3
273.18539	2.1
275.20020	37.3
283.15289	2.7
285.16913	30.6
285.19788	2.4
291.19522	5.5
293.17917	1.4
293.21100	4.6
299.14868	3.3
301.16394	22.1
331.22968	1.8
333.24084	2.4
349.23657	40.3
363.21545	1.8
365.22980	2.0
367.24750	1.6
381.22583	3.5
383.24268	1.4
411.27127	1.5
421.25760	5.0
423.27444	2.6
439.26849	13.5
447.27423	2.3
461.28653	2.7
463.30481	5.3
481.27762	2.7
495.29483	8.4
541.34949	10.3
557.34283	1.9
559.36176	26.7
575.35687	10.6
577.37073	3.0
593.36523	3.8
714.47314	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	18.3
55.05507	40.0
57.03436	28.3
57.07074	7.5
58.01850	3.6
61.02926	9.5
65.03937	10.6
67.05499	100.0
69.03417	15.1
69.07069	33.8
70.06141	14.5
70.06575	7.0
71.04984	7.6
73.02910	9.4
79.05489	84.1
81.03407	35.3
81.07052	95.2
82.04183	10.2
83.04982	29.5
83.08625	18.3
85.02892	18.8
85.06535	6.6
86.09697	4.2
91.05479	84.8
93.07041	77.8
95.04974	33.7
95.08599	44.6
95.13261	3.6
97.02888	14.5
97.06519	16.4
97.10174	16.1
98.07307	7.8
99.08083	8.0
105.07028	70.8
106.07304	4.2
107.04955	12.5
107.07952	5.8
107.08595	48.8
109.02844	3.9
109.06503	13.3
109.10148	20.0
111.08063	14.2
115.05429	5.1
115.76792	3.9
116.04714	8.5
117.07027	28.1
118.16885	3.2
119.08571	62.3
121.06478	12.4
121.10123	30.1
123.08063	10.9
124.99994	7.3
125.09618	16.8
127.03889	7.7
128.06165	4.4
129.05493	36.3
129.06999	16.3
131.08542	29.6
133.10126	48.7
135.08037	16.3
135.11671	24.6
137.09639	10.3
142.07819	4.1
143.07031	10.5
143.08525	9.6
145.10135	29.4
147.08084	3.8
147.11679	34.8
149.09601	11.8
149.13269	17.6
151.07561	9.9
153.09210	4.1
155.08568	5.1
157.08603	15.4
157.10118	15.2
159.11703	25.5
161.05975	6.6
161.13284	11.4
163.07524	5.0
163.11168	14.3
165.08923	4.4
171.10294	5.7
171.11688	12.7
173.11794	5.5
173.13213	11.5
174.13802	4.3
175.11150	5.7
175.14777	7.6
184.07324	19.7
185.13310	8.4
187.14830	4.2
189.11197	7.0
193.12219	9.8
195.10152	12.0
195.13834	6.4
196.10371	5.1
196.82625	4.0
199.13206	4.2
200.14034	6.0
208.66533	3.7
227.12773	17.4
239.18056	4.7
241.19524	10.4
257.18948	5.7
259.20544	37.6
267.15912	8.9
269.17404	17.3
275.20074	17.8
281.17447	4.8
283.15424	4.5
301.16483	65.2
314.12036	4.0
315.23260	4.5
320.25815	3.9
333.24118	26.0
349.23685	12.3
400.07645	3.7
485.33325	4.5
495.29556	13.7
525.35431	4.0
542.35181	4.4
559.36298	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	790.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.9
55.05505	30.8
57.03432	13.5
65.03905	3.9
67.05497	55.3
69.07062	14.5
70.92003	7.3
70.92363	3.0
71.04971	8.4
79.05485	48.2
81.03408	43.4
81.07038	44.0
83.04961	8.3
83.08614	20.0
85.02850	4.8
85.06541	3.4
86.09709	6.6
91.04966	4.8
91.05476	48.1
93.07033	45.2
95.04951	17.7
95.08586	32.5
97.02892	3.4
97.06518	3.3
97.10144	9.6
99.84139	2.7
105.07014	49.0
107.04942	7.8
107.08584	24.0
109.06477	5.9
109.10157	19.7
111.04556	3.2
111.08113	4.1
117.06992	21.2
119.08557	29.6
121.06498	7.2
121.10133	26.9
123.08041	6.4
123.11701	4.1
124.99987	3.6
125.09596	8.1
129.06995	16.4
131.04880	3.3
131.08545	30.9
133.06494	3.2
133.10095	25.4
135.08060	6.7
135.11653	11.5
142.07791	3.9
143.08565	12.9
144.20250	3.1
145.10126	23.0
147.11668	19.8
149.09615	8.1
149.13275	7.0
155.08498	4.0
155.54181	2.7
157.10193	15.1
159.11653	15.3
161.13240	6.4
163.11104	3.3
167.08554	3.3
169.10109	3.0
171.11673	11.6
173.13210	8.6
175.11156	3.7
181.10191	4.5
183.11613	7.6
184.07346	13.9
185.13243	7.5
187.14760	3.4
189.11247	6.0
193.12210	5.0
195.11725	5.0
197.13173	3.4
199.14864	5.0
213.16327	3.2
223.14880	3.0
227.12721	5.8
241.19502	5.6
259.20593	13.5
267.15857	17.9
275.68317	3.1
299.23633	9.5
333.24197	11.6
365.23822	3.4
375.25494	3.4
403.24039	3.7
415.29733	5.5
421.25705	6.1
433.31009	8.1
435.27441	6.8
451.31818	11.9
469.32861	4.7
499.34012	3.9
507.34750	7.3
517.34845	3.5
525.35712	55.6
543.36749	100.0
544.36945	7.8
557.38062	11.2
567.36505	4.3
575.39752	18.2
775.65808	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	790.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.1
56.05020	0.7
57.07071	0.1
58.06359	0.2
58.06618	0.4
59.07396	0.2
60.08158	5.8
67.05494	0.3
69.43994	0.2
69.44387	1.0
71.07365	3.3
71.08605	0.1
74.45414	0.1
79.05460	0.1
86.09698	30.3
87.10025	0.2
93.07039	0.1
95.08599	0.1
98.98460	3.1
104.10733	2.8
110.18514	0.1
124.99992	18.8
143.01047	0.4
184.07324	100.0
185.07661	1.6
299.04874	0.1
496.33813	0.2
690.47247	1.3
754.53186	0.2
772.55188	0.8
790.55701	2.3
791.55554	0.3
801.46478	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.0
62.75053	0.6
65.03932	5.0
67.05480	2.2
69.03408	1.8
69.07048	0.6
71.52949	1.0
77.03880	0.7
78.04681	1.5
79.05488	5.3
81.03379	1.5
81.07018	1.6
82.04177	1.7
85.02891	3.5
89.47225	0.6
91.05468	14.4
92.06235	1.6
93.03404	1.1
95.04959	3.2
97.02851	1.5
97.06487	1.6
103.05437	3.8
105.03369	1.2
105.07020	3.1
106.04121	1.1
107.04945	18.3
107.08596	0.7
108.02068	0.7
109.06524	0.6
110.03622	1.7
111.04417	1.9
115.05437	5.8
116.06235	1.0
116.46839	0.6
117.07001	8.6
118.04116	1.0
119.04925	7.4
119.08516	0.9
120.05734	4.1
121.02860	1.0
121.06495	1.8
123.04414	6.8
124.05188	1.7
125.05966	2.6
128.06177	1.0
129.06982	1.7
130.07755	0.7
131.04900	4.7
132.05588	0.5
133.02780	1.0
133.06468	4.1
135.04410	4.6
136.07414	0.6
137.05957	11.3
138.03072	1.1
139.03865	1.6
142.02565	2.2
143.04901	1.4
144.05653	1.1
145.02847	1.1
145.06471	10.4
146.05942	1.0
147.04408	7.0
147.08043	2.1
148.05182	7.3
149.02295	0.8
149.05930	2.1
151.03912	2.9
151.07515	1.2
152.04665	1.3
153.05450	2.3
154.06197	1.1
155.04846	0.7
155.05983	2.3
157.06458	1.3
158.07216	1.5
159.04349	0.8
159.07985	1.0
160.05164	0.7
161.05980	6.1
163.03882	2.1
163.07455	1.2
163.75397	0.6
165.05463	16.0
165.06850	1.0
166.06190	0.9
167.07022	64.1
168.07506	1.1
169.06369	0.6
171.04295	0.7
171.06512	5.6
172.05136	0.8
173.05971	13.4
174.05376	0.7
175.03824	0.9
175.07495	3.3
177.05460	4.4
179.06938	2.1
181.04932	100.0
182.05287	1.9
184.03503	0.8
185.05994	1.2
186.06607	1.1
187.07477	1.0
189.05412	2.3
189.09000	1.3
190.06241	1.3
191.06953	2.4
192.94814	0.6
193.08540	1.2
198.09061	1.0
201.05463	3.4
203.07007	1.7
205.04871	2.1
205.08580	9.1
207.06485	1.6
207.09995	0.7
208.07204	1.6
209.08012	0.8
213.05435	1.0
214.06207	1.5
217.05029	0.7
217.08496	0.7
219.06445	2.7
220.07285	6.7
221.08032	4.0
222.06950	0.6
226.08450	1.2
231.06424	0.8
233.08032	4.3
234.08800	3.6
235.09616	9.2
243.11284	2.5
255.11211	1.3
261.09039	0.9
263.06955	0.7
265.08633	1.1
267.10458	0.7
277.08530	1.4
279.10196	1.1
282.08630	0.6
283.10278	1.0
285.12323	3.6
291.10101	1.2
297.11215	1.0
307.09589	0.7
309.10928	0.8
311.09448	0.8
311.12964	0.7
315.12509	0.7
317.10181	1.2
325.10571	0.6
326.11533	0.7
327.12344	0.8
337.10535	1.0
355.11789	4.5
357.13272	1.3
367.11844	1.0
368.12274	1.0
369.13538	1.2
373.12790	2.5
385.12759	21.7
385.17688	1.3
386.13312	1.3
387.14160	3.5
397.12704	1.2
398.13580	11.7
401.12131	2.7
411.14316	0.7
415.13889	7.9
416.14606	93.1
417.15231	8.9
430.12558	5.4
463.13641	0.6
495.67429	0.6
583.21649	1.5
595.20801	0.7
612.21783	2.5
613.22668	34.1
614.22711	2.3
719.88544	0.6
759.28241	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	15.0
57.03432	12.7
57.07074	2.4
57.23700	1.2
61.02920	2.8
64.99638	1.3
65.03927	2.7
67.05500	61.4
69.03415	1.7
69.07063	15.7
69.11765	1.3
69.79086	1.2
69.83506	7.1
71.04987	2.5
79.05483	39.8
81.07048	57.8
82.38493	1.1
83.04979	2.9
83.08625	7.2
85.02896	2.7
85.06556	2.6
91.05473	22.3
93.07034	43.8
95.04959	3.9
95.08601	52.0
97.06522	4.7
97.10188	2.3
98.21616	1.7
101.81048	1.4
103.27338	1.2
105.07019	20.8
107.08582	29.1
109.06504	1.4
109.10148	23.7
111.08064	2.4
117.07017	5.9
119.08566	14.9
121.10134	26.5
122.10373	1.3
123.08088	1.4
123.11696	10.5
128.31340	1.3
131.08556	13.6
133.10112	13.9
135.11688	15.7
137.13248	3.4
143.08527	2.3
145.10115	10.2
147.11676	10.2
149.09642	1.9
149.13269	8.9
157.10092	1.9
159.11684	9.2
161.13211	7.1
163.14810	5.0
171.11664	2.4
173.13239	8.4
175.14758	2.4
177.16409	2.0
185.13222	2.6
187.14816	4.7
188.07011	1.8
201.16353	2.1
232.82852	1.2
241.19527	3.6
243.21083	4.7
259.20551	6.3
261.22079	20.8
263.23627	2.1
317.24609	2.1
333.24200	4.6
335.25778	100.0
336.26147	5.1
337.27368	7.1
359.71240	1.2
383.29340	1.4
453.01181	1.5
458.84918	1.5
501.21283	1.4
521.43439	1.8
564.34613	1.3
595.47119	13.3
613.48199	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	792.561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	19.1
57.03440	17.9
57.07060	3.6
58.34166	3.1
61.02916	5.1
65.21138	2.8
66.49860	3.0
67.05500	88.3
69.07068	26.9
70.86285	3.4
71.53587	5.7
79.05482	52.1
81.07045	89.3
83.08611	9.2
86.09708	5.4
91.05474	36.4
93.07037	67.3
95.04948	5.7
95.08599	61.1
97.06549	3.7
97.10162	3.6
105.04536	3.2
105.07022	28.5
107.08591	33.1
109.10146	28.3
117.07008	9.6
118.65288	3.3
119.08570	22.5
121.10110	28.3
123.11715	10.8
131.08580	20.1
131.33025	3.8
133.10132	14.2
135.11673	15.5
137.13263	4.7
145.10091	9.3
147.11658	14.2
149.13264	9.6
159.11652	10.7
161.13257	9.4
163.14803	5.2
173.13283	9.2
184.07283	6.3
201.16495	3.5
235.21054	3.1
241.19632	5.3
243.20920	3.1
259.20456	7.7
261.22141	23.4
333.24060	7.7
335.25757	100.0
337.27118	8.8
595.47168	16.5
613.47858	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	795.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.2
65.03951	2.3
67.05486	8.1
69.03411	5.2
69.07060	5.0
69.44202	14.1
71.04970	1.7
71.78638	1.5
73.02949	1.8
79.05479	3.2
81.03396	6.1
81.07053	3.5
85.02886	6.1
91.05467	5.4
93.07014	5.6
94.06549	8.2
95.04958	3.1
95.08604	3.8
97.02855	3.0
105.06993	2.6
107.04963	3.6
108.08077	5.8
109.02879	4.3
109.06511	2.2
117.07046	1.7
119.04961	2.6
120.04497	1.7
120.08096	4.6
122.06019	21.9
123.04417	6.1
124.07517	1.9
127.03888	5.5
130.47333	1.9
134.05997	5.0
135.08044	2.2
136.07550	10.7
137.05991	9.4
138.09212	2.0
139.03896	2.9
140.07076	6.3
143.00206	1.8
145.02800	2.6
146.06094	4.2
147.04410	5.0
148.07553	8.9
151.03912	6.7
153.50824	1.9
161.05962	3.3
163.03903	3.6
163.07585	2.3
164.07018	5.4
165.05489	3.4
166.08618	2.9
167.07021	8.0
174.05473	3.4
176.07112	2.1
177.05438	2.9
181.05014	2.5
181.08720	2.0
185.07121	2.3
186.90456	1.8
190.04828	2.3
191.07008	3.2
192.10123	3.0
200.06985	2.1
200.62723	1.8
206.08170	2.7
207.06525	2.4
208.09750	2.3
209.08046	2.7
209.10606	1.9
210.11536	2.2
211.08807	2.5
211.12274	1.9
220.09787	2.5
220.42326	1.9
222.11290	4.0
223.08757	8.6
223.12375	5.5
224.13026	2.2
225.10202	29.5
225.13817	3.3
226.10834	4.3
227.11763	5.7
235.08621	5.4
235.12267	2.2
236.09349	6.3
236.13055	1.8
237.10281	15.8
237.13866	6.0
238.10930	15.2
239.11790	22.6
240.12466	6.8
240.14792	1.8
241.09659	2.3
241.13324	3.3
248.09303	5.8
249.10187	12.0
250.10983	22.5
251.08066	7.7
251.11771	73.6
252.12587	10.1
253.09738	3.6
253.13275	20.3
257.08279	1.9
262.10953	4.4
262.97656	1.9
263.11795	43.5
264.09805	1.7
264.12418	11.2
265.09744	13.7
265.13333	80.5
266.10571	5.5
266.14053	8.8
267.11246	5.8
267.14874	5.4
268.11905	4.3
275.11700	4.3
277.09677	8.5
277.13235	5.7
278.10373	10.5
278.79984	1.9
279.11243	41.8
280.12140	9.1
281.12820	12.0
283.10815	10.9
283.14288	2.9
285.12256	5.1
288.05249	2.5
291.11334	14.0
291.14276	3.0
292.11987	5.3
293.09686	2.0
293.12799	38.3
294.13513	4.0
295.10773	6.7
295.14395	13.9
296.11615	5.3
297.12375	13.3
298.13159	5.6
299.13977	10.1
307.10858	2.0
307.14206	2.8
309.12308	23.2
310.13031	6.4
311.13892	45.8
312.14526	4.0
313.11856	2.0
313.15344	12.7
319.10745	7.8
321.12314	15.3
323.13788	3.5
325.15512	3.0
326.12585	1.8
337.11722	6.8
338.12408	5.2
339.13397	15.4
341.14877	3.6
351.13464	14.3
353.14920	28.2
355.16541	4.1
369.14420	12.4
370.14975	2.6
371.15997	25.8
372.17093	4.8
379.12823	3.5
381.14368	5.3
383.15906	6.2
386.18704	3.9
400.16278	2.2
411.15402	15.4
413.17032	22.8
414.17691	7.2
416.19781	5.2
423.15253	2.8
427.18799	2.3
432.19049	4.3
435.15640	4.5
437.17117	8.0
440.16028	2.3
441.16507	9.9
442.17480	5.8
443.18149	5.7
447.15594	2.9
453.16483	5.8
455.17972	14.0
459.17630	2.5
460.18518	8.2
463.14948	3.9
465.16446	8.6
471.17709	18.7
472.18115	2.6
473.19095	25.4
474.20007	16.7
478.19409	2.7
479.18259	2.6
480.21048	7.8
481.16122	6.8
482.16718	2.6
483.17526	15.0
484.18100	2.5
492.21368	10.9
494.22510	2.3
495.17365	3.0
497.19272	9.7
499.16962	3.7
500.17120	2.5
501.18677	10.0
502.19495	2.9
513.18677	20.5
514.19409	3.5
515.20288	30.3
531.19824	28.3
532.20245	2.4
533.21179	52.5
534.22235	28.0
542.22803	4.4
558.22119	4.3
568.20892	10.1
583.25549	3.9
586.21838	30.5
588.23151	6.9
594.24554	5.1
600.23401	30.4
601.26312	12.9
604.22736	22.3
606.24396	4.8
618.24341	54.2
619.24902	7.0
620.25226	3.8
622.23920	27.2
624.24835	5.1
633.28857	2.6
636.25470	100.0
637.25543	6.9
638.26831	2.4
654.26532	70.2
655.26672	6.6
675.30823	4.5
709.28088	7.5
723.30231	12.6
727.29187	6.1
741.31049	10.7
745.30298	4.8
759.32361	4.2
763.30981	2.0
777.32947	5.2
795.32629	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	795.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13528	1.8
65.03947	4.1
67.05499	43.4
69.03416	4.4
69.07062	11.6
71.52626	2.8
79.05463	3.1
81.03399	9.2
81.07046	2.8
85.02892	4.3
89.03887	1.7
89.89096	1.7
91.05461	6.9
93.07037	13.4
94.06562	7.8
95.04967	3.4
95.08598	86.7
97.02877	3.4
99.04447	2.1
103.05436	3.5
105.07052	3.5
107.04933	4.8
107.08566	1.6
108.08112	10.3
109.02854	7.0
115.03824	1.9
115.05469	1.5
119.04939	2.9
119.08569	3.7
120.08083	3.7
122.02384	1.9
122.06019	14.6
122.09660	2.3
123.04386	4.6
124.07593	3.3
126.06277	1.6
127.03899	5.9
131.04918	5.3
132.05705	1.6
133.06546	2.3
136.07562	7.0
136.11200	6.7
137.05966	20.8
138.09097	3.8
139.03912	2.4
140.03416	2.9
140.07053	13.8
145.02872	2.5
146.06023	2.2
146.09599	3.3
147.04372	5.6
148.07558	4.9
149.05942	3.5
150.09143	5.2
151.03932	2.2
151.07552	8.3
153.05344	2.5
154.04970	1.7
158.09673	2.7
160.07611	3.1
161.05913	2.3
161.10699	2.0
162.09122	2.8
163.03860	2.9
163.07480	2.9
164.07062	2.3
164.10696	81.7
165.05585	1.7
166.08623	2.4
167.07056	14.2
170.09674	2.6
172.11147	2.2
173.07141	2.2
173.10745	4.7
174.05525	2.1
174.09105	6.5
175.03824	1.7
177.05444	7.3
181.04951	4.2
181.08548	2.7
186.07782	3.5
186.09250	2.5
187.08626	4.3
188.09398	3.5
189.08896	2.2
189.10356	2.3
191.07059	2.6
192.10179	100.0
193.08577	1.9
198.09154	3.2
199.08650	5.1
200.07153	2.3
200.09238	2.8
200.10870	3.2
201.10213	24.4
203.07089	2.3
207.06532	2.8
209.08069	2.4
211.08717	2.6
211.12219	1.9
213.06689	2.4
213.10268	11.4
214.07193	1.9
215.08180	13.8
215.11751	12.4
216.08769	9.3
223.08459	2.6
225.10280	14.1
226.08736	3.6
226.10805	3.0
227.08171	21.2
227.11707	5.3
228.08650	2.2
228.37985	1.8
229.09703	30.8
235.08519	1.8
237.10223	4.2
238.11028	4.4
239.08029	2.7
239.11693	10.6
241.09679	11.3
241.13342	5.1
243.11246	21.0
245.12819	2.7
247.10881	2.0
248.09267	1.9
249.10123	3.8
250.10832	3.0
251.08244	3.6
251.11778	16.2
252.12724	3.8
253.09769	13.3
253.13307	6.4
254.10336	2.3
255.11234	7.4
259.10724	9.5
261.12378	10.5
263.11771	11.2
264.12405	2.5
265.10083	8.9
265.13248	14.9
266.10632	2.5
266.14053	2.9
267.11218	9.6
267.14850	2.5
268.08466	1.9
268.11761	1.8
269.09149	13.3
269.12772	5.5
271.10770	24.9
271.14124	2.3
273.12292	2.4
277.09619	3.1
277.13281	2.3
278.10236	3.4
279.11230	12.6
280.08072	1.6
280.11957	3.6
281.09229	2.0
281.12814	2.9
283.10718	6.5
285.12308	4.3
287.10220	11.1
287.13419	3.0
289.11771	18.3
291.11310	2.6
293.09656	2.3
293.12564	7.8
294.13525	2.4
295.10690	6.6
295.14197	2.2
297.12286	7.4
299.13895	2.8
301.11786	8.3
303.13367	7.6
309.12256	5.7
310.12900	3.3
311.10651	2.0
311.13809	10.7
313.11658	6.6
313.15372	4.3
321.15005	3.1
322.12570	1.8
323.10184	2.1
323.13773	5.1
327.13284	2.6
329.11362	4.0
331.12839	9.0
337.11658	2.9
339.13239	3.2
346.15533	1.9
351.13376	2.6
353.14816	4.3
355.12714	3.2
357.14368	2.3
358.15555	2.8
360.17349	2.1
361.13840	4.3
363.15558	4.8
364.16397	3.4
369.14258	6.9
370.14896	1.9
371.15872	9.2
373.13681	2.5
374.18726	3.2
385.13657	2.9
387.15326	4.9
389.13452	2.7
391.14896	3.5
397.13538	3.8
402.18307	2.7
403.14938	2.9
405.16666	2.9
406.17563	3.2
411.15195	3.0
413.12692	4.0
413.17587	3.0
415.14847	12.5
420.19022	2.6
427.14337	3.1
429.16397	3.5
431.14368	5.6
433.15866	8.9
434.20856	3.3
442.19461	2.9
445.16196	14.7
447.17377	11.0
453.16461	3.6
455.18018	3.3
456.18356	1.9
460.18878	3.3
462.19907	5.2
463.17136	15.0
465.18649	9.3
471.17618	2.3
473.19144	3.1
474.20160	3.3
476.22009	3.8
480.21341	3.3
481.18201	9.6
483.19421	3.7
484.20743	16.4
492.21555	4.5
494.22739	7.6
499.16882	3.4
510.21967	3.7
513.18219	5.6
515.20349	5.4
516.20270	2.7
518.19360	2.6
531.19604	3.8
533.21271	3.7
534.22156	5.3
536.20276	8.3
550.21783	5.1
554.21313	5.6
568.22839	31.8
572.22485	9.5
583.25171	2.9
586.23834	66.4
587.23865	4.8
588.23132	5.8
600.23370	7.2
601.26044	2.6
602.23401	2.3
604.24933	54.5
605.24335	3.3
606.24066	6.2
615.27710	2.3
618.24817	9.1
619.25690	2.4
620.25708	4.1
622.23560	4.9
624.24927	6.0
633.29187	2.9
634.23578	3.3
636.25293	13.6
637.25427	3.3
638.26453	5.1
640.24725	3.1
652.24847	2.1
654.26361	10.7
655.26453	5.7
656.27972	5.6
670.25250	2.5
672.27124	3.3
673.27997	2.0
675.29968	9.4
691.27258	2.3
709.28235	7.0
723.30518	3.5
727.29010	6.2
741.31006	9.4
745.30731	7.6
759.32385	11.0
763.30511	4.3
777.22235	1.9
777.33221	18.9
795.34430	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.7
58.06596	0.7
60.08161	5.1
70.56087	0.4
70.56436	0.9
71.07367	3.0
75.20588	0.3
79.05478	0.3
80.95245	0.3
86.09698	25.7
87.10019	0.4
93.07036	0.3
98.98454	2.5
104.10722	1.7
124.99994	16.3
140.28778	0.3
140.29803	0.3
143.01025	0.5
163.13037	0.3
166.02608	0.4
184.07326	100.0
185.07571	0.9
198.59941	0.3
202.84784	0.3
254.00795	0.3
262.36591	0.3
778.53510	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	797.516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	3.0
60.42989	1.1
61.02928	7.1
67.05518	8.0
68.73249	0.9
69.03439	3.8
69.07068	1.5
70.70715	1.4
70.71051	1.8
73.02911	5.7
79.05513	3.8
81.07040	7.7
85.02902	6.9
88.12028	1.0
91.03976	4.0
91.05489	3.2
93.07047	5.8
95.05001	1.2
95.08621	5.3
97.02884	8.1
101.02389	2.6
105.07082	2.4
107.08609	2.2
109.10178	2.1
119.08578	1.9
121.10142	1.9
127.03918	1.7
145.10193	1.1
149.13203	1.1
184.07355	1.6
201.29442	1.1
233.82048	1.1
243.08519	1.7
276.92990	1.1
284.26855	1.1
304.50989	1.0
304.69748	0.9
402.05612	1.1
417.29440	1.0
519.29248	17.1
520.29730	1.4
797.51648	100.0
798.51752	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	805.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82163	4.4
57.03429	24.4
60.08139	5.3
65.03926	7.0
67.05177	6.5
67.05502	82.5
69.07047	15.7
71.04959	5.2
71.52937	7.4
71.53386	4.5
79.05482	43.7
81.07043	49.1
83.08586	6.6
85.06525	14.3
86.09705	17.4
91.05467	29.8
93.07042	46.7
95.04958	61.5
95.08596	39.0
97.06514	8.9
99.08034	4.4
105.07024	27.8
107.04955	13.3
107.08584	33.1
109.06495	58.5
109.10158	13.3
113.05990	28.4
117.07007	14.9
119.08552	14.0
121.06491	7.4
121.10132	19.0
123.08064	5.0
123.42374	4.6
124.99979	16.6
129.07016	11.7
131.08543	19.3
133.10109	10.5
135.08044	44.3
135.11694	12.6
145.10117	15.9
147.08105	7.3
147.11688	5.8
149.09630	6.5
149.13303	7.3
157.10056	5.1
159.11699	11.1
161.09576	4.9
173.13274	6.6
184.07323	48.6
184.08797	6.0
217.15837	9.0
260.83411	4.3
269.15683	4.2
273.18503	36.7
291.19501	100.0
292.19836	5.9
327.63672	5.1
335.25723	94.2
347.22037	9.6
365.23264	16.9
563.48859	5.6
579.37457	5.4
607.43231	12.6
625.44592	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	806.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	22.8
61.02900	8.2
64.49149	4.6
65.03931	6.7
67.05501	100.0
69.03407	13.6
69.07061	52.3
71.01360	5.4
71.04972	8.1
73.02892	10.6
79.05490	71.7
81.03416	52.9
81.06667	5.7
81.07061	72.6
83.04959	18.7
83.08619	26.4
85.02888	19.3
85.06532	6.7
86.05131	4.8
86.09675	8.0
91.05481	64.9
93.06570	4.8
93.07046	58.1
95.04958	34.3
95.08588	46.3
97.02869	13.2
97.06512	16.8
97.10162	16.9
105.07025	52.5
107.04954	14.4
107.08588	35.7
109.06477	9.8
109.10143	46.5
111.04396	4.5
111.08080	10.5
116.04693	7.1
117.06978	17.2
119.08571	38.2
121.06523	8.0
121.10121	17.8
123.04424	4.8
123.08072	9.1
123.11683	6.9
125.09599	19.6
127.03959	5.1
129.05479	21.5
129.07002	14.7
131.08568	24.1
133.06482	6.1
133.10095	23.8
135.08037	6.8
135.11653	12.1
137.06001	5.5
137.09612	12.3
145.10101	14.5
147.11636	19.0
149.09557	23.2
151.11214	8.3
157.08540	7.6
157.10130	10.3
159.11681	9.3
161.09612	4.6
163.11179	13.8
165.12625	4.7
171.11552	6.4
173.11887	9.4
173.13197	6.6
175.11160	10.1
184.07333	6.8
189.11179	6.2
193.12209	19.8
199.13246	10.3
211.13214	26.7
227.12759	7.2
228.25291	5.1
229.14291	18.8
253.14346	6.1
255.15906	10.3
267.15909	18.6
275.19922	18.7
283.15707	6.6
285.17035	21.7
301.16507	28.5
349.23740	15.5
399.24075	7.1
439.26770	14.8
575.35492	17.5
609.36212	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	806.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	25.5
57.07059	2.0
59.04992	4.5
61.02917	5.9
61.30444	1.4
61.97729	1.4
65.03931	4.4
67.05496	100.0
69.03415	8.2
69.07053	15.6
70.36138	5.5
71.04981	11.1
73.02894	4.3
75.33176	1.6
79.05479	52.1
81.03405	86.5
81.06580	3.5
81.07045	56.8
83.04970	26.8
83.08608	34.4
85.02898	33.1
85.06534	5.2
87.04465	4.8
91.05470	61.9
93.07028	29.9
95.04959	33.0
95.08594	20.8
97.02876	11.6
97.06500	9.1
97.10168	14.2
99.08066	2.5
105.07022	33.1
105.82981	1.6
107.04939	14.7
107.08582	14.9
109.06497	9.1
109.10143	51.4
109.32610	1.4
111.04434	5.2
111.08067	14.8
113.05977	3.4
115.05439	2.0
117.06997	3.1
119.08569	27.3
121.06472	3.6
121.10128	11.8
123.08063	6.0
125.09605	17.3
127.03893	2.3
128.06177	1.9
129.05487	2.7
129.06970	15.2
131.08533	16.0
133.06480	3.0
133.10109	15.7
135.08025	2.3
135.11699	4.5
137.09602	5.7
139.11171	1.5
142.07765	3.3
145.10129	6.8
147.08015	3.6
147.11658	14.7
149.09616	9.6
153.12782	3.2
155.10634	3.0
157.10129	19.1
160.50870	1.5
163.11139	9.7
165.12758	4.6
173.11716	20.3
175.11169	20.4
181.12321	2.4
184.07260	2.5
191.10706	3.6
193.12224	74.3
199.13165	8.3
209.11723	4.4
211.13257	93.0
212.13564	2.5
217.14351	1.9
227.12793	7.2
229.14317	51.4
231.13863	1.7
267.15845	31.1
283.15295	4.3
285.16934	63.3
301.16434	13.4
399.23672	17.7
409.25830	3.0
421.25781	12.8
427.26822	4.2
439.26801	42.6
477.28305	2.3
493.27832	5.5
495.70059	1.7
511.28699	9.8
529.29517	2.1
609.36249	36.2
610.36157	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	806.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	22.5
59.04996	6.6
61.02899	4.0
62.55156	2.8
63.94617	2.9
65.03925	5.9
65.04736	2.7
67.05499	99.5
67.35992	2.6
69.03415	9.7
69.07059	33.3
70.42870	9.9
71.04987	15.6
79.05483	81.3
81.03408	100.0
81.06589	4.5
81.07047	76.4
83.04979	19.5
83.08607	27.3
85.02879	10.0
85.06542	4.5
87.04454	2.7
88.52736	3.1
91.03949	4.2
91.05469	74.6
93.06477	5.3
93.07033	73.7
93.07587	2.5
95.04961	40.5
95.08588	50.1
97.02872	8.0
97.06499	16.9
97.10152	18.4
99.08094	5.0
103.05439	3.9
105.07024	70.5
105.83255	2.8
107.04931	12.9
107.08576	43.3
109.06504	6.9
109.10146	29.4
111.04427	5.7
111.08083	14.1
113.09672	3.6
115.05431	4.9
117.07011	31.8
119.08568	54.4
121.06503	8.1
121.10128	31.9
123.08022	8.1
123.11668	4.1
125.09618	12.0
129.05493	4.5
129.07011	24.5
131.08554	39.3
133.06433	8.1
133.10109	32.2
135.08041	8.7
135.11665	11.6
137.09592	4.8
139.11180	3.6
141.06979	6.1
142.07758	6.7
143.08553	13.4
145.10103	27.6
147.08015	7.4
147.11671	25.5
149.09616	19.5
149.13258	14.0
151.11206	6.0
155.08549	8.3
157.10123	18.0
159.11681	17.1
161.09612	4.8
161.13260	10.3
163.11148	9.4
165.12749	4.0
169.10146	6.4
171.11674	12.1
173.11839	5.6
173.13263	10.6
175.11205	11.9
181.10046	6.4
183.11699	6.2
183.48958	3.2
185.13239	7.3
189.11205	9.9
193.12218	28.5
195.11777	3.7
197.13295	4.9
199.14835	3.4
203.14259	3.6
207.11795	3.9
209.13249	4.9
211.13283	12.5
213.16377	3.0
217.15945	4.1
227.12766	12.9
229.14281	15.1
241.19569	3.8
249.14642	7.3
252.67436	3.3
259.20615	12.3
267.15845	56.3
269.17487	14.1
275.20105	15.1
299.23685	4.3
331.23004	4.2
333.24182	9.3
349.23706	6.6
351.23080	5.4
369.24091	8.2
387.25586	3.8
421.25766	7.0
433.30600	7.7
439.26285	4.6
443.27594	7.3
449.29791	3.8
451.32101	7.5
461.28796	30.8
493.31342	7.2
500.76910	4.4
507.34387	4.4
525.35638	29.0
541.35040	14.6
543.28497	3.4
543.36786	65.9
544.36322	4.6
557.38159	6.3
575.39038	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	806.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	16.5
57.07059	2.4
61.02917	4.9
64.04826	2.3
65.03924	2.8
67.05499	67.3
69.03418	9.7
69.07063	29.9
70.06575	9.6
71.04974	8.5
71.52389	5.3
72.08144	4.3
79.05487	68.6
81.03413	100.0
81.07047	76.1
83.04967	13.4
83.08603	33.6
84.04476	2.1
85.02881	7.3
85.06519	4.5
86.09689	8.9
91.05476	64.9
93.07035	54.4
95.04960	40.2
95.08604	35.6
97.02882	8.2
97.06520	17.4
97.10156	18.1
99.08059	2.6
103.05444	4.3
105.07023	51.0
107.04928	16.0
107.08585	38.9
109.06504	10.3
109.10165	21.6
111.04453	3.9
111.08087	11.5
115.05474	3.9
117.07020	16.1
119.04899	3.9
119.08571	32.4
120.08094	5.7
121.06490	9.1
121.10125	20.8
123.04447	4.0
123.08041	7.2
123.11716	5.4
125.09627	17.8
127.03908	2.9
129.06989	19.1
131.08568	29.6
133.06473	5.2
133.10109	27.9
135.08060	13.2
135.11668	17.3
137.05943	4.7
137.09598	4.6
141.06952	4.1
142.07764	5.1
143.08517	10.9
145.06493	4.8
145.10112	20.8
147.08014	7.0
147.11685	22.4
149.09621	19.8
149.13217	11.4
151.11118	3.7
153.09065	4.0
155.08623	5.2
157.10155	17.5
159.11696	11.2
161.09584	4.5
161.13231	6.6
163.07555	3.2
163.11163	10.4
169.10077	5.8
171.11659	5.9
173.09702	3.0
173.11714	3.2
175.11111	11.5
177.12733	2.8
181.12189	3.0
184.07310	4.6
185.32857	2.3
187.11137	2.6
189.05133	2.3
189.11221	7.4
191.14291	2.8
193.12228	27.5
195.13762	2.6
199.11235	2.6
205.12154	2.8
211.13245	6.6
227.12704	17.4
229.14287	5.4
249.14896	3.1
255.15894	9.2
257.19031	5.3
267.15884	67.7
269.17416	17.7
275.20044	25.9
285.17072	2.7
291.19406	3.0
293.20984	3.1
323.29648	2.8
347.21695	2.7
349.23691	19.7
351.22946	2.8
367.24579	3.4
421.25659	5.3
437.25092	3.4
439.26282	2.7
443.27969	10.1
447.27438	24.9
461.28915	60.3
467.31262	4.9
493.31509	8.3
523.34058	5.6
541.35217	55.4
542.35468	4.9
559.36261	21.4
591.39478	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	808.5553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	13.8
64.96985	6.8
65.06330	5.7
67.05492	93.3
69.07066	22.0
70.06873	31.2
79.05488	80.2
81.07054	100.0
83.08619	11.3
91.05470	69.6
93.07037	97.9
95.04948	9.0
95.08593	60.2
97.10146	7.0
98.21379	9.6
103.53325	6.6
103.65808	7.6
105.07030	72.8
107.08582	53.3
109.10131	26.0
113.03471	6.5
117.07017	25.3
119.08575	50.9
121.10152	26.0
123.07985	7.7
123.11740	12.0
129.07028	9.1
131.08577	34.7
131.09439	8.4
133.10109	36.9
135.11676	22.6
141.24986	6.4
143.08632	12.1
145.10114	34.5
147.11696	45.6
149.13246	14.8
159.11676	18.3
161.13289	18.8
171.11649	10.2
173.13258	15.5
181.04353	7.0
184.07327	19.8
185.13268	12.4
227.20125	6.9
230.20187	7.7
241.19481	16.7
259.20609	50.9
261.22144	10.7
333.24182	42.2
335.25803	76.4
459.09744	6.9
593.45239	12.5
611.46356	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.8
65.51047	0.2
66.04694	0.3
67.05467	1.0
69.03412	0.5
69.07035	0.3
77.03910	0.4
78.04700	2.9
79.05470	1.6
81.03403	0.7
81.07047	0.2
82.04158	0.9
85.02891	2.0
89.92666	0.2
91.05467	5.1
93.03390	0.5
93.06998	0.4
94.04135	0.3
95.04954	2.0
96.05720	0.3
97.02866	0.4
97.06506	0.9
98.20657	0.4
103.05441	2.2
105.04499	0.4
105.07012	0.7
106.04153	1.7
107.04959	2.5
108.02036	0.4
109.06498	0.4
110.03661	1.5
111.04427	1.3
115.05435	5.7
117.07006	9.0
119.04935	3.9
119.08482	0.3
121.06480	0.3
122.03637	0.8
122.09611	0.5
123.04413	7.4
124.05197	3.0
125.05960	1.4
127.03867	0.4
127.05382	1.3
129.06953	0.5
130.04169	0.4
131.04915	1.1
133.02809	0.4
133.06450	0.5
134.03554	0.7
135.04356	0.7
136.05197	0.3
136.07556	0.3
137.02298	0.3
137.05963	7.3
138.03098	0.7
139.23122	0.3
142.02580	0.6
143.04874	0.8
144.05635	0.3
145.06470	15.0
147.04393	4.6
147.08046	0.9
149.05937	0.5
151.03880	2.5
151.07512	1.3
152.04659	1.7
152.06926	0.2
153.05446	2.2
155.04851	0.5
155.06010	4.6
158.03665	0.3
160.05150	0.3
161.05916	0.9
163.07538	0.4
164.07060	0.4
165.05460	0.5
167.07014	100.0
168.07314	1.6
171.04346	0.4
171.06531	2.0
172.05066	0.4
173.05965	23.0
174.06413	0.6
175.07507	1.3
176.04562	0.3
177.05402	0.9
179.06995	1.5
181.04933	34.6
182.05267	0.6
187.07425	0.3
189.05490	0.4
191.06969	0.7
201.05446	0.9
203.06987	1.3
205.06616	0.5
205.08563	6.0
207.06477	0.6
207.10074	0.4
209.08028	0.3
213.05511	0.3
217.08562	0.2
218.05479	0.3
219.06422	0.6
223.07446	0.3
229.21841	0.3
231.06393	1.3
233.05855	0.5
233.08049	4.4
233.10365	0.3
235.07501	0.5
235.09631	4.4
237.09135	0.4
249.05240	0.2
250.06213	0.6
263.06979	0.3
265.08649	0.5
281.08072	0.3
282.08878	0.4
283.09683	0.5
293.07983	0.5
295.03293	0.2
297.11200	0.6
299.09204	0.3
307.09769	0.3
310.08484	0.7
311.08838	0.4
323.09189	0.5
324.10110	0.4
325.10715	0.9
326.11591	0.3
342.11194	0.3
353.09982	0.5
357.13354	3.1
367.11530	0.3
385.12762	16.1
386.13312	0.6
387.14322	4.8
399.13797	0.3
411.14462	0.4
417.15378	9.8
425.07205	0.3
583.21759	3.0
613.22705	67.8
614.23029	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	809.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	3.0
66.04700	0.3
67.05496	1.2
68.99767	0.3
69.03407	0.8
69.07037	0.3
69.95219	1.0
77.03895	0.4
78.04702	2.7
79.05476	1.9
81.03400	0.9
81.07040	0.9
82.04193	0.6
85.02914	1.4
91.05474	4.4
93.03393	0.6
93.07019	0.5
94.04157	0.7
95.04967	2.2
95.08569	0.3
96.05725	0.4
97.02872	0.4
97.06507	0.9
99.04444	0.3
103.05460	2.3
105.03379	0.4
105.07002	0.5
106.04158	1.2
107.04962	2.4
109.02879	0.7
109.10108	0.2
110.03665	1.2
111.04424	1.6
115.05450	6.2
117.07008	8.7
119.04933	3.0
119.08541	0.4
121.02914	0.2
121.06461	0.9
122.03625	1.8
123.03576	0.5
123.04419	7.6
124.05234	2.7
125.05968	1.4
125.61709	0.2
127.03924	0.5
127.05429	1.1
129.06912	0.3
130.04134	0.3
131.04933	1.5
133.02792	0.5
133.06476	0.7
134.03644	0.6
135.04391	1.0
136.07562	0.3
137.05965	29.5
138.03105	0.9
138.06294	0.6
139.03882	0.6
140.04683	0.3
142.02635	0.6
143.04907	2.0
144.05690	0.5
145.02840	0.3
145.06470	14.1
147.04384	4.4
147.08022	0.8
148.05177	0.5
149.05948	0.9
151.03889	4.6
151.07527	1.1
152.04637	2.2
153.05476	2.6
155.04910	0.4
155.06015	4.9
155.07152	0.4
157.06497	0.5
160.05191	0.4
160.07690	0.3
161.06006	1.7
162.06758	0.4
163.03928	0.6
163.07576	0.9
165.05473	1.1
167.07019	100.0
168.07365	1.6
171.04379	0.6
171.06508	1.7
172.05162	0.4
173.05969	23.9
174.06531	0.4
175.03824	0.4
175.07491	1.6
177.05472	0.9
179.07039	1.5
179.08473	0.4
181.04935	37.5
182.05309	0.4
188.04654	0.4
189.05573	0.6
189.09152	0.3
190.06180	0.6
191.07048	1.0
193.08617	0.4
201.05475	0.7
203.07019	2.1
204.07825	0.7
205.08597	6.1
205.10587	0.4
207.06543	0.9
207.10078	0.4
209.08005	0.4
217.08554	0.4
219.06450	0.3
221.08018	0.7
231.06537	0.8
233.05841	0.4
233.08060	4.8
234.08902	0.4
235.07561	0.3
235.09625	4.1
237.09114	0.6
249.09079	0.3
250.06259	0.4
251.07106	0.4
253.08681	0.4
264.07639	0.3
265.08670	0.7
267.10193	0.6
279.06708	0.5
280.07236	0.3
281.07959	0.3
282.08853	0.4
293.08041	0.6
295.09628	0.3
297.11255	0.8
299.09393	0.5
301.07242	0.3
303.08710	0.5
307.09521	0.3
310.08389	1.0
319.11993	0.3
323.09378	0.3
325.10773	0.9
326.11407	0.5
329.13974	0.7
336.69254	0.3
337.10992	0.3
341.10446	0.3
351.12708	0.3
353.10272	0.5
355.11694	0.7
357.13297	5.1
369.13434	0.4
385.12796	13.5
386.13550	0.5
387.14343	17.3
388.14719	0.4
411.14212	0.3
417.15366	9.6
418.15628	0.3
440.43250	0.3
583.21552	2.6
613.22723	63.0
614.23065	3.0
700.37939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02581	0.2
58.06354	0.3
58.06625	0.5
60.08158	6.0
69.07093	0.2
70.68896	0.6
71.07364	3.5
81.07077	0.3
86.09698	29.1
87.10007	0.3
91.05476	0.3
93.07053	0.2
98.98462	3.2
99.49060	0.2
104.10722	2.2
105.07018	0.3
124.99995	20.7
126.00238	0.2
143.01010	0.3
184.07323	100.0
185.07687	1.1
224.21783	0.2
237.36700	0.2
774.50580	4.4
775.50580	0.4
809.19775	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06622	0.6
60.08158	5.9
64.45838	0.1
67.05492	0.4
69.23637	0.7
69.24063	1.0
69.40916	0.1
71.07367	3.9
76.22040	0.1
79.05504	0.2
86.09698	29.2
87.10008	0.2
88.95982	0.2
91.05489	0.2
98.98450	3.3
104.10727	2.2
105.07033	0.2
116.96952	0.1
122.87636	0.1
124.99994	19.0
131.08592	0.1
135.29770	0.2
143.00996	0.3
151.07497	0.2
163.07465	0.2
166.64754	0.2
184.07323	100.0
185.07634	0.6
238.95480	0.2
261.48715	0.2
628.69641	0.2
675.25458	0.2
715.79749	0.2
776.52136	5.7
777.51324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
74.93108	0.7
86.09695	1.0
98.21530	1.6
123.73907	0.6
125.00038	0.8
137.43163	0.7
139.68333	0.7
158.77986	0.6
163.07622	0.8
184.07301	3.9
185.07568	0.8
188.30020	0.7
195.10353	0.6
209.10791	0.8
212.13200	0.7
223.12416	0.7
224.13206	0.7
225.10271	0.7
225.13863	2.5
226.14595	1.1
237.10307	0.9
237.13916	1.5
238.14842	0.7
239.15511	1.1
249.13829	0.7
255.92676	0.7
261.89938	0.7
315.13989	0.7
337.11795	1.0
351.97766	0.7
356.82678	0.8
362.42477	0.8
403.15451	0.9
404.16339	1.4
405.21201	1.1
418.17889	0.9
419.18243	1.4
433.20300	3.7
447.22141	1.5
448.22437	1.5
449.23444	1.7
461.19485	1.6
463.21445	1.1
475.21185	3.4
476.21814	3.4
477.22839	4.7
521.21747	1.8
535.25299	1.1
545.41156	0.8
563.26379	17.7
564.26489	1.3
591.26367	1.0
621.27222	0.9
622.27576	5.0
623.28558	100.0
624.29108	4.7
750.18225	0.7
817.37897	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	817.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03364	4.0
57.07037	0.9
63.62261	0.5
65.03863	3.2
67.05421	33.0
67.05820	2.9
68.16216	0.6
68.99744	1.2
69.03355	1.7
69.06988	7.1
71.04926	0.9
79.05405	24.6
81.03411	11.6
81.07049	27.1
81.07481	1.5
83.04899	2.2
83.08528	5.1
85.06479	1.2
91.05470	17.3
93.03333	0.9
93.07034	23.9
93.07578	0.9
95.04951	6.5
95.08601	17.8
97.06441	1.9
97.10085	1.9
97.10696	0.6
98.21633	0.8
103.05412	0.6
105.07019	11.7
107.04873	2.3
107.08586	10.7
109.06403	2.0
109.07078	0.6
109.10139	6.7
111.00745	1.0
111.04324	1.9
111.08001	1.9
115.05396	1.5
117.07007	3.3
119.04937	1.5
119.08580	8.7
121.02796	1.2
121.06397	1.2
121.10138	9.3
123.04413	6.0
123.08028	1.2
123.11597	2.1
127.03822	1.9
128.06134	1.1
129.06944	3.0
129.70888	0.5
131.04825	1.0
131.08557	6.5
133.06415	1.2
133.10110	4.7
134.22505	0.6
135.04443	3.8
135.11678	4.3
137.05931	0.8
139.03893	43.3
141.06873	0.9
143.08463	0.9
145.06480	1.2
145.10019	2.6
147.04309	2.3
147.07932	0.7
147.11685	3.4
149.05875	2.0
149.09526	1.8
149.13123	2.2
151.03897	3.2
153.05431	1.2
153.06847	1.0
157.06422	1.4
157.10075	1.6
157.51569	0.6
159.04285	0.9
159.08038	0.9
159.11594	2.2
161.06010	3.7
161.13272	1.3
163.03886	31.5
163.07477	1.2
163.14757	1.0
164.04225	0.6
165.05376	1.8
169.06367	1.3
171.07976	0.7
173.05856	1.8
173.13124	1.5
175.03757	0.7
175.07391	1.2
175.11124	1.3
177.05331	2.4
179.06934	0.9
181.06410	1.3
185.05807	2.0
187.03822	0.7
187.07417	1.5
189.05408	1.5
191.07005	1.0
193.10582	0.8
193.12225	4.0
195.07979	1.1
195.13771	1.1
197.05933	1.1
199.07361	1.3
201.05370	1.5
201.09073	0.8
203.06966	0.9
211.07431	1.8
211.13141	4.0
213.05383	2.6
213.09012	0.8
214.06033	1.1
215.06921	1.2
217.08386	0.7
224.08673	0.6
225.05418	1.5
226.06119	1.1
227.06927	1.9
229.96339	0.8
239.06960	1.4
241.04935	70.2
242.05574	3.9
243.06406	2.4
243.13765	1.9
243.20952	0.9
251.07225	1.1
251.10352	1.0
253.04861	1.9
253.08446	0.8
254.05672	1.2
255.06509	4.2
259.20435	1.2
261.22113	3.0
267.06412	1.7
267.15930	0.8
269.04550	3.0
269.07977	2.5
270.05191	15.4
271.06006	13.6
272.06668	1.5
273.07477	2.1
279.06592	1.1
281.08054	1.7
283.06082	4.9
283.13300	0.6
285.07544	0.7
289.14288	1.1
295.06085	1.2
295.09442	0.7
296.06879	0.9
297.07532	2.9
307.09445	1.0
307.72968	0.6
309.07654	4.1
311.09109	0.9
317.24271	0.7
323.09003	1.4
333.24124	1.1
335.08975	0.9
335.25760	41.2
336.25967	1.5
339.81720	0.8
343.15549	0.8
393.16943	1.5
421.16324	9.4
435.17828	1.3
437.19559	1.3
447.18076	1.6
449.19189	0.8
463.17462	22.1
464.17447	1.0
465.19043	100.0
466.19241	4.0
467.20621	2.2
477.18240	1.3
481.18478	9.9
483.20322	3.1
495.19257	0.8
503.20746	2.7
521.21588	12.6
537.21326	3.2
539.22742	23.8
555.22162	10.5
667.41364	1.0
679.41998	1.1
707.40454	0.7
720.94135	0.6
725.40186	1.0
781.42200	0.7
799.43762	10.7
817.45099	28.4
818.45618	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.2
57.07069	0.6
62.45354	0.2
65.03931	2.4
67.01847	0.2
67.05498	16.5
67.51883	0.2
68.99781	2.2
69.03432	0.9
69.07062	3.5
70.78414	0.4
70.78773	0.2
71.01342	0.2
71.04996	0.7
72.06628	0.2
77.03916	0.4
79.01840	0.2
79.05484	11.6
81.03407	0.8
81.07046	12.7
83.04966	1.9
83.08601	1.6
85.06526	0.4
91.05473	6.7
93.03394	0.6
93.07032	9.8
95.04956	2.2
95.08596	9.3
97.02877	0.5
97.06526	0.7
97.10144	0.9
99.08076	0.3
103.05454	0.6
105.04513	0.3
105.07018	4.6
107.04921	0.7
107.08576	4.9
109.06510	0.6
109.10144	4.1
111.00788	0.8
111.04428	4.5
111.08078	0.3
111.11698	0.2
113.09641	0.2
115.05431	1.2
117.07003	2.1
119.04906	0.3
119.08566	2.9
121.02869	0.6
121.06454	0.4
121.10127	3.7
123.04414	7.6
123.08046	0.4
123.11748	1.0
125.05993	0.4
125.09624	0.5
127.03080	0.2
127.03919	2.4
128.06215	0.3
129.06984	1.2
131.04913	0.9
131.08554	2.4
133.06470	0.4
133.10106	2.0
135.04395	0.7
135.08064	0.3
135.11662	1.9
137.05974	1.1
137.09573	0.2
139.03885	100.0
140.04257	1.3
141.05466	1.7
141.07007	1.0
143.04901	0.7
143.08557	0.5
145.05400	0.2
145.06415	1.0
145.10110	1.8
147.04422	1.1
147.11687	1.4
149.05981	1.6
149.09602	0.2
149.13234	0.9
151.03893	3.4
151.07536	0.4
151.11163	0.2
152.06195	0.5
153.01804	0.4
153.05441	3.0
153.06952	1.1
155.04907	0.4
155.08501	0.6
157.06454	1.3
157.10114	0.3
159.07950	0.3
159.11687	1.2
160.05180	0.5
161.05952	7.4
161.13229	0.8
163.03883	26.9
163.07526	1.0
163.11182	0.2
163.14804	0.8
164.04294	0.5
165.05447	3.0
165.06931	0.9
166.07732	0.3
167.03386	0.5
167.04759	0.2
167.07127	0.4
167.08546	0.7
169.05084	0.3
169.06395	1.3
169.10132	0.4
171.04350	0.3
171.08000	0.6
171.11671	0.4
173.05965	13.9
173.13235	0.8
174.06348	0.3
175.03885	1.1
175.07526	2.2
175.14839	0.4
177.05452	2.8
177.06891	0.4
179.03363	3.0
179.06946	0.6
179.08501	0.7
179.10605	0.2
180.03732	0.2
181.04927	0.7
181.06448	2.0
181.10010	0.4
183.08008	0.7
183.11601	0.2
184.05048	0.2
185.05934	1.8
186.06609	0.3
187.07526	7.4
187.14850	0.3
188.07973	0.3
189.05453	3.3
189.07065	0.3
189.09012	0.4
191.03352	0.4
191.06984	0.6
191.08534	0.2
193.06401	0.6
193.08546	0.4
193.10193	0.3
195.06448	0.4
195.08018	1.7
195.13734	0.2
197.05986	2.1
197.09627	0.4
198.06679	0.6
199.07512	6.8
199.14822	0.2
200.04646	0.3
200.08141	0.3
201.05446	2.2
201.09084	2.5
203.06985	0.8
203.08653	0.3
205.04883	0.7
207.07991	0.5
209.05923	0.5
209.09570	0.5
210.06686	0.7
211.07512	4.3
212.08231	0.4
213.05461	3.2
213.09061	3.5
214.06104	0.2
215.06966	1.5
215.10472	0.2
217.08548	0.3
219.08061	0.4
221.05913	0.3
221.09613	0.4
221.13232	0.3
223.07527	2.4
223.14883	0.3
224.08257	0.5
225.05418	0.5
225.09050	2.0
225.53912	0.2
226.06224	0.4
226.09727	0.3
227.07014	2.3
227.10612	0.6
229.04968	0.4
229.08463	0.3
229.12169	0.3
233.09520	0.3
235.07454	0.7
237.05298	0.7
237.09090	1.4
239.06995	0.8
239.10617	0.6
241.04852	0.9
241.08528	0.4
241.12135	0.4
241.19543	0.4
243.20992	0.6
247.07452	0.5
248.08290	0.3
249.09053	0.6
250.06093	0.3
250.09814	0.3
251.06966	0.9
251.10594	0.7
251.14232	0.5
253.04730	0.3
253.08656	0.3
253.12186	0.5
255.06531	0.6
259.20474	1.2
261.09033	0.5
261.12717	0.2
261.22049	2.3
263.06985	0.6
263.10358	0.4
265.04865	0.4
265.08539	0.3
265.12085	0.5
266.05664	0.3
267.06415	0.5
267.13745	0.8
269.15347	1.0
270.05048	0.2
271.05899	0.3
273.12402	0.2
273.21890	0.3
275.06900	0.6
275.10361	0.2
279.06448	0.8
279.13693	0.7
280.06799	0.2
281.15179	0.6
282.05090	0.6
283.03320	0.3
283.06036	2.7
283.13144	0.4
285.07510	0.4
285.14767	0.7
287.16415	1.0
289.08450	0.3
291.06387	0.3
291.13806	0.5
292.07181	0.2
293.07962	0.6
293.15228	0.6
295.05994	4.9
295.09308	0.5
295.13150	0.3
296.06650	0.4
297.07523	1.3
297.14807	1.4
299.16360	0.8
301.14246	0.5
303.06494	0.9
303.10080	0.2
303.13629	0.3
305.07993	0.5
305.15274	0.3
307.05945	0.5
307.09476	0.2
307.13150	0.2
308.06699	2.8
309.07486	2.7
309.14795	1.0
311.05563	0.3
311.09091	0.6
311.16351	0.6
313.07040	1.8
313.14246	0.6
315.15878	7.3
317.07947	0.8
318.08417	0.2
319.09515	0.5
321.07611	1.9
321.14661	0.7
322.08167	0.7
323.09140	1.5
323.16324	0.8
325.14209	1.4
327.15900	3.0
333.07486	0.5
333.16748	0.3
333.23892	0.7
334.08405	0.4
335.09143	2.1
335.25751	21.8
336.26001	0.8
337.17810	0.3
337.27307	0.5
339.08926	0.2
339.15826	3.4
340.16360	0.3
341.17282	0.4
349.10788	0.3
353.17511	0.4
353.26614	0.3
357.16760	0.4
359.18256	0.7
363.15680	0.5
365.17212	0.3
371.18555	0.5
373.19965	0.4
375.18033	0.3
377.16998	0.2
383.18164	0.3
387.17789	0.3
389.19519	3.0
393.16830	0.3
399.25201	0.5
401.19794	1.2
405.16574	0.3
409.16269	0.7
413.19800	0.9
419.18710	0.5
421.16403	8.2
422.16644	0.3
423.17160	0.2
423.25323	0.3
429.16708	1.1
435.17664	0.6
437.19281	0.6
447.17975	8.3
448.18182	0.5
449.19424	0.4
451.17154	0.2
459.17899	0.2
463.17413	0.5
465.19025	7.7
466.19531	0.4
477.18823	0.8
483.19934	0.5
485.19324	0.4
495.20236	1.4
503.20776	1.0
503.26758	0.2
511.19412	0.3
513.20996	0.4
515.37402	0.3
521.21649	2.0
531.14270	0.2
539.15027	0.3
539.22644	3.3
540.22296	0.3
557.23651	0.9
581.36053	0.2
599.36816	0.3
617.37512	0.2
631.39362	0.2
635.38794	0.2
643.39667	0.3
647.38916	0.4
649.40924	1.8
661.40826	1.2
673.40967	1.0
677.39685	0.7
679.40955	0.7
681.37384	0.3
691.41437	0.6
755.40283	0.6
765.49548	0.2
773.42505	2.2
774.42438	0.2
781.42694	0.5
799.43890	3.6
800.44318	0.3
817.44983	3.7
818.45001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.8
57.07064	0.5
65.03942	1.8
67.05501	16.5
68.99776	1.9
69.03419	0.6
69.07069	3.3
71.04974	1.0
71.52935	0.5
77.03894	0.3
79.05486	10.5
81.03414	1.0
81.07052	12.8
83.04973	1.7
83.08601	1.3
85.06518	0.5
91.05477	6.6
93.03387	0.6
93.07038	11.1
95.04968	1.7
95.08602	9.6
97.02875	0.6
97.06515	0.7
97.10143	1.0
97.45741	0.3
99.08087	0.4
103.05463	0.7
105.04497	0.4
105.07027	3.8
107.04934	0.6
107.08591	4.9
109.06495	0.8
109.10155	4.3
111.00783	0.4
111.04435	5.3
111.08078	0.3
115.05447	0.8
116.02419	0.3
116.91301	0.3
117.07038	1.6
119.08557	2.9
121.02873	0.4
121.10143	3.7
123.04429	5.8
123.08018	0.6
123.11710	1.1
125.09603	0.6
127.03917	2.5
128.06184	0.4
129.06989	1.3
131.04889	0.9
131.08556	2.2
133.06485	0.4
133.10106	2.5
135.04401	0.7
135.08052	0.4
135.11678	2.3
137.05963	1.3
139.03893	100.0
140.04225	1.4
141.05449	1.2
141.06958	0.9
143.08525	0.6
145.06470	0.8
145.10132	1.3
147.04387	1.0
147.11656	1.4
149.02359	0.3
149.05983	2.1
149.13246	1.1
151.03896	3.3
151.07520	0.6
153.01840	0.6
153.05457	3.1
153.06987	1.3
155.08530	0.4
157.06425	1.4
157.10118	0.3
159.08005	0.4
159.11720	1.1
160.05147	0.4
161.05963	7.2
161.13257	1.2
163.03894	23.0
163.07449	0.7
163.14803	0.6
165.05467	3.9
165.06955	1.0
165.09148	0.3
167.03403	0.6
167.04994	0.4
167.08531	1.0
169.05121	0.3
169.06468	0.7
169.10139	0.3
171.08047	0.5
171.11702	0.3
173.05968	12.2
173.13287	1.4
174.06380	0.4
175.03911	0.8
175.07529	2.2
175.14984	0.3
177.05475	3.3
177.12727	0.4
179.03365	2.6
179.06995	0.8
179.08588	0.8
181.04964	1.0
181.06509	2.0
181.08696	0.3
181.10156	0.3
183.07999	1.4
184.07167	0.3
185.05972	1.6
185.51772	0.3
186.06808	0.4
187.04015	0.4
187.07538	7.9
187.14870	0.4
189.05478	2.7
189.09084	0.7
191.03435	0.8
191.06995	0.4
193.06537	0.6
193.08527	0.3
195.06508	0.6
195.08067	1.3
197.05959	2.2
197.09572	0.5
198.06738	0.5
199.07521	5.7
200.04625	0.4
201.05505	2.2
201.09122	1.8
202.66936	0.3
203.07069	0.7
205.04922	0.5
209.05927	0.6
209.09627	0.4
210.06827	0.4
211.07526	4.1
213.05479	3.3
213.09103	2.9
215.07028	1.2
215.10573	0.4
217.08540	0.5
219.08147	0.6
219.10063	0.4
221.05951	0.4
223.07562	2.9
224.08157	0.6
225.05482	0.6
225.09108	1.2
226.06123	0.5
227.06999	2.1
227.10664	0.7
229.04915	0.3
229.08591	0.4
235.07454	0.5
237.05473	0.7
237.09099	1.4
239.07054	0.9
239.10669	0.8
241.04991	0.8
241.08615	0.6
243.06458	0.3
243.21162	0.9
247.07613	0.6
249.08966	0.3
251.07025	1.0
251.10611	0.7
251.14328	0.4
253.12387	0.3
255.13750	0.5
259.20557	0.8
261.12848	0.4
261.22092	2.3
263.07059	0.7
263.10608	0.4
265.08649	0.5
265.12161	0.6
267.06494	0.4
267.13821	0.7
269.15417	1.2
271.05988	0.6
275.07156	0.5
275.10257	0.4
279.06519	0.9
279.13876	0.7
281.07959	0.4
281.15448	0.5
282.05502	0.3
283.05972	1.9
283.54758	0.3
285.07608	0.4
285.14822	0.7
287.07150	0.3
287.16437	0.8
289.08621	0.7
291.13501	0.4
293.08105	0.6
293.15356	0.7
295.06009	4.5
295.13266	0.5
296.06509	0.5
297.07486	1.5
297.14874	1.1
299.16403	0.7
301.14359	0.9
303.06647	0.5
307.06339	0.7
308.06763	2.9
309.07498	2.1
309.14767	0.9
311.05746	0.3
311.09152	0.7
311.16492	0.7
313.06995	2.1
313.14481	0.7
315.15881	7.1
317.08017	0.7
320.06778	0.4
321.07516	1.3
321.14902	1.1
322.08099	0.7
323.09180	1.7
325.14337	1.2
327.15866	3.1
333.07623	0.5
333.24396	0.6
335.09177	1.9
335.25784	22.1
336.26181	0.9
339.15900	3.1
341.17661	0.5
347.09137	0.4
359.18579	0.9
371.18863	0.5
375.18286	0.3
381.16956	0.5
383.18506	0.4
389.19589	2.5
395.17950	0.4
399.17593	0.3
399.25409	0.6
401.19727	1.6
409.15958	0.5
413.19434	1.0
419.19064	0.7
421.16409	8.7
423.18140	0.3
429.16870	0.7
435.18051	0.8
437.19986	0.5
447.18015	8.5
448.18240	0.4
463.17609	0.5
465.19083	9.0
465.25732	0.5
466.19586	0.4
477.19263	0.8
483.20212	0.6
485.19565	0.7
495.20248	1.4
503.20627	1.0
511.19446	0.6
513.20984	0.4
521.21777	2.8
521.29120	0.5
537.21259	0.4
539.22614	5.3
557.23926	1.9
557.35797	0.7
649.40979	1.7
655.39636	0.5
661.40826	1.3
673.40649	0.7
677.40503	0.8
679.41980	0.6
691.41443	0.6
707.38733	0.3
755.40729	0.5
773.42914	1.9
781.42279	0.4
799.44275	4.9
810.68896	0.4
817.45166	4.7
818.45013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03153	1.1
57.03432	18.5
57.07068	1.4
59.05003	1.0
61.02922	71.8
65.03941	2.1
67.05501	30.5
69.03425	26.6
69.07067	6.2
70.06575	1.4
70.96917	1.9
70.97287	1.0
71.01335	2.8
71.04977	4.0
73.02911	20.6
75.04475	1.9
77.03936	1.3
79.05488	19.5
81.03413	21.6
81.07048	29.7
83.04955	4.2
83.08601	3.5
85.02899	100.0
87.04464	3.6
88.07642	1.3
89.91209	0.9
91.03948	56.3
91.05479	12.8
93.07041	21.3
94.48991	0.9
95.04966	3.4
95.08601	21.8
97.02885	69.0
97.06510	1.8
99.04439	11.3
99.08086	1.1
101.02371	4.9
103.03933	9.2
105.07027	10.2
107.04980	1.3
107.08586	11.2
109.02872	13.1
109.06515	3.2
109.10151	11.6
111.04443	2.1
111.08067	1.2
113.09632	1.2
115.03902	7.8
117.05476	3.6
117.07018	5.7
119.08557	10.1
121.10136	11.2
123.08018	1.5
123.11700	5.3
127.03906	39.9
129.05460	3.9
129.06979	1.8
131.08569	7.6
133.06480	1.0
133.10117	6.8
135.11685	8.7
137.05975	1.3
137.13237	2.0
141.05461	1.2
141.25008	0.8
143.08553	2.4
145.04945	29.0
145.10112	7.5
147.07991	0.9
147.11671	4.9
149.02344	3.4
149.09677	1.0
149.13258	4.5
149.89435	0.9
151.07422	1.0
151.11185	1.1
155.08522	2.0
157.10104	1.2
159.06506	2.8
159.11696	5.9
161.13271	4.4
163.06013	18.9
163.07413	1.6
163.11180	1.5
163.14793	3.7
165.22269	0.9
171.06544	2.1
171.07950	1.0
171.11703	2.2
173.09628	0.9
173.13248	4.7
175.14879	1.7
177.16431	1.4
183.06483	9.9
183.11781	1.2
185.13261	2.4
187.06137	1.0
187.14766	2.6
193.04924	2.3
197.13197	1.4
199.05965	1.2
199.14787	1.7
201.07555	7.5
201.12851	1.1
201.16405	1.4
212.74785	0.8
219.08614	1.8
228.23206	2.0
230.54318	1.1
233.22594	1.3
243.21082	5.1
257.15286	1.0
259.20609	3.2
261.22113	16.5
271.07916	1.0
275.23578	1.1
277.21640	1.4
279.23190	2.4
289.21664	1.2
291.23383	1.2
303.23251	3.0
315.22943	1.5
317.24847	1.1
327.23129	2.6
333.24365	1.2
335.25781	51.1
336.25974	1.2
345.24289	1.6
351.23264	2.9
353.26785	1.3
363.25156	3.3
369.24118	4.8
377.26663	2.7
387.25299	2.2
389.26782	1.3
405.26465	1.7
419.27838	2.5
431.27823	1.2
443.27722	6.4
461.28833	4.5
479.29987	11.0
497.30899	4.1
501.69940	0.9
779.01361	1.2
822.35913	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	822.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	11.0
57.07074	3.3
63.34393	3.4
65.03912	7.6
67.05498	100.0
69.03401	7.4
69.07051	28.9
71.04971	5.0
71.30296	7.6
73.40337	2.7
74.11398	2.8
79.05484	78.5
81.03394	7.0
81.06584	7.0
81.07046	96.5
83.04968	19.6
83.08598	9.7
85.06500	7.8
86.09679	4.9
91.05473	80.0
93.06474	6.0
93.07034	78.3
93.07618	5.0
95.04949	17.2
95.08595	52.5
97.06518	10.1
97.10155	5.8
98.36714	3.2
103.05386	3.0
105.07025	60.7
107.04922	11.9
107.08578	57.3
109.06512	10.1
109.09470	4.8
109.10155	65.1
111.08092	4.4
117.06995	10.8
119.08566	22.2
121.06486	9.9
121.10131	22.9
123.08057	7.3
123.11672	13.1
125.09599	3.8
127.07561	4.0
129.06993	8.6
131.08569	23.2
133.06496	8.0
133.10115	77.0
135.08041	12.0
135.11678	13.6
137.09593	4.8
139.07544	3.7
143.08502	8.0
145.06383	3.0
145.10133	15.4
146.07274	2.9
147.08073	7.3
147.11690	9.3
149.09576	12.5
149.13242	7.8
151.11171	31.1
155.04276	3.0
157.10054	3.4
159.11656	7.7
161.09566	8.0
161.13141	6.8
163.11171	3.5
171.11642	6.5
173.13217	5.0
175.11241	5.9
177.09097	5.0
184.07298	10.7
185.13246	5.0
218.63530	2.8
245.18956	4.9
253.14333	80.4
259.52350	3.4
261.22095	13.7
263.20187	3.7
273.18512	43.5
291.19504	41.3
309.20392	3.8
329.21408	3.7
335.25757	67.7
347.22098	12.4
365.23206	46.5
387.37430	3.1
513.35724	5.7
531.36462	12.6
607.43579	6.0
625.44446	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	7.8
57.58532	3.0
67.05500	62.6
67.29250	3.3
69.03433	3.5
69.07085	16.5
79.05485	46.0
81.07047	65.9
83.04974	13.1
83.08618	6.8
85.06550	4.6
91.05473	46.6
93.07035	43.2
95.04964	10.2
95.08603	38.2
97.06507	6.6
105.07023	40.6
107.04940	5.7
107.08577	38.5
109.06553	3.1
109.10147	45.8
111.08206	2.9
111.95052	3.0
117.07014	8.2
119.08555	15.5
121.06469	6.5
121.10136	18.5
123.08041	3.5
123.11716	11.8
123.42073	2.9
126.66894	3.0
129.06972	4.3
130.07721	3.2
131.08549	14.0
133.06525	3.7
133.10129	53.0
134.15855	3.3
135.08031	5.4
135.11700	10.0
139.11276	3.9
145.10150	8.7
149.09628	6.3
149.13274	5.7
151.11198	30.6
159.11697	3.9
163.11172	4.3
169.12221	5.5
173.13260	4.9
184.07292	6.0
185.07576	3.9
215.12842	5.0
233.98752	3.6
253.11665	5.2
253.14331	100.0
261.22064	16.5
263.20197	3.2
273.18393	24.8
291.19446	28.5
302.89484	3.0
328.75125	3.9
335.25763	89.5
347.22092	7.9
365.23206	36.8
375.45053	3.4
438.45535	3.5
513.35376	3.9
516.85681	3.6
529.34998	3.6
531.36768	32.3
607.43549	7.0
625.44623	62.6
626.45099	5.2
641.67847	4.0
794.90186	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	822.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	9.1
57.07067	2.3
65.03963	2.1
67.05500	58.1
69.03413	8.1
69.07059	29.3
71.04980	3.7
71.08974	4.3
79.05486	39.8
81.03398	4.6
81.07044	47.2
83.04971	6.1
83.08611	10.7
85.06558	2.3
86.09683	4.1
91.05472	24.5
93.07034	40.2
95.04971	9.2
95.08597	36.2
97.02885	9.8
97.06548	4.1
97.10162	14.2
105.07032	19.1
107.04937	8.3
107.08578	25.3
107.54662	1.5
109.06504	6.0
109.10145	17.3
111.08096	2.3
117.06988	8.3
119.08562	19.5
121.06484	2.3
121.10125	14.8
123.08076	3.2
123.11710	3.7
124.99979	2.8
125.09594	7.4
129.06950	2.4
131.08517	9.6
133.06467	3.0
133.10124	11.5
135.08072	4.1
135.11639	7.6
137.09648	3.1
143.08537	3.7
145.10120	6.9
147.08049	5.4
147.11668	4.4
149.09691	2.2
149.13268	6.4
155.60548	1.5
157.10135	2.7
159.11710	5.0
161.09637	3.0
161.13261	3.7
162.10326	1.6
171.11681	2.6
173.13251	3.0
184.07314	15.2
189.11206	4.2
195.13704	1.8
204.34227	1.6
205.12267	1.7
211.13248	1.7
223.13287	17.8
227.12863	4.3
228.52313	1.5
249.14946	3.1
258.70062	1.6
261.22171	8.6
273.18475	12.7
291.19519	100.0
292.20059	2.3
301.65417	1.5
317.24887	1.9
335.25772	87.4
336.26010	3.0
347.22086	1.8
365.23175	43.5
545.38379	3.4
607.43372	2.3
625.44550	80.0
626.44727	5.7
849.13776	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	6.8
57.07068	2.0
59.04985	0.9
61.02920	1.2
65.03931	2.0
67.05495	46.2
69.03421	8.1
69.07059	28.7
69.44203	1.6
69.44608	5.7
69.52090	1.0
71.04990	3.5
79.05480	33.6
81.03410	4.6
81.07043	39.1
83.04956	3.8
83.08608	9.7
85.02904	1.6
85.06542	1.4
86.09695	1.6
91.05467	21.8
93.07027	35.5
95.04961	8.0
95.07981	1.3
95.08595	26.7
97.02882	8.3
97.06509	3.6
97.10160	10.5
98.21487	1.1
105.06387	1.3
105.07020	15.2
107.04936	6.6
107.08585	18.4
109.06506	3.3
109.10145	13.8
111.08075	2.7
115.05420	1.0
117.06993	8.3
119.04897	1.3
119.08572	15.5
119.79954	0.8
121.06480	3.1
121.10123	11.5
123.08044	2.8
123.11694	2.2
125.06747	0.9
125.09615	6.5
128.06186	1.1
129.06972	2.5
131.08553	9.7
133.06494	4.0
133.10104	7.3
134.07233	1.5
135.08006	2.9
135.11676	5.2
137.09584	2.6
141.06964	1.2
143.08548	2.9
145.10085	5.7
147.08018	5.6
147.11639	4.3
149.09584	1.2
149.13229	3.7
155.08430	0.9
157.10115	2.5
159.11705	3.8
161.09578	2.2
161.13268	2.6
163.11154	1.6
163.14841	1.4
165.09097	1.7
169.10165	1.6
169.12236	1.0
169.92419	0.8
170.09839	0.9
171.11681	1.4
173.13246	2.1
175.11201	1.3
177.12727	1.9
184.07271	4.4
187.14853	1.4
189.11179	3.0
193.12225	0.9
195.13774	1.3
205.12224	1.7
223.13251	17.2
227.12732	3.8
233.15234	0.9
243.21088	2.2
245.18985	1.7
249.14841	3.1
261.22159	6.9
262.15906	1.1
273.18463	12.2
289.08810	0.8
291.19501	100.0
292.19699	2.6
317.24774	2.0
335.25754	61.7
336.26273	1.5
347.22018	1.7
347.25839	1.7
365.23178	47.0
427.55261	1.0
545.38214	2.4
607.42822	1.0
625.44562	52.1
626.44470	3.2
681.50635	1.6
820.08478	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	0.7
65.88223	0.3
67.05486	1.3
68.99784	0.6
69.03410	0.8
69.44229	3.0
77.03919	0.5
79.01847	0.3
79.05477	1.2
81.03391	0.9
81.07043	0.4
85.02889	1.3
86.86689	0.3
91.05472	1.6
93.03371	0.5
94.04127	0.4
95.04949	4.3
97.02897	0.7
100.58058	0.4
103.05436	2.7
105.03367	1.2
107.04937	3.2
109.02859	1.3
109.06503	0.4
111.04438	0.8
115.05445	1.5
117.06996	5.8
119.04933	4.3
121.02834	0.7
121.06467	0.6
122.03641	0.5
123.04411	30.2
125.05983	0.7
127.03911	1.1
129.06992	0.4
131.04912	6.7
133.06512	0.5
135.04391	3.7
136.07558	0.6
136.48289	0.4
137.02327	0.7
137.05959	8.4
139.03889	10.8
140.04565	0.5
143.04895	0.4
145.02692	0.5
145.06465	10.7
147.04391	14.6
149.05998	0.7
151.03882	85.2
152.04247	1.1
153.05415	2.2
155.07040	1.6
159.04565	0.4
161.05977	3.7
163.03862	4.4
163.07509	3.3
165.05457	7.1
167.07018	7.7
169.06425	0.5
171.06525	0.4
173.05949	4.7
175.03882	1.1
175.07516	1.3
177.05444	1.5
177.09106	5.3
179.03413	0.5
179.06947	1.8
181.04921	13.0
183.06543	2.8
187.07491	1.3
189.05408	1.0
191.06989	0.4
193.04944	3.8
197.05968	0.7
201.05473	0.6
205.08575	8.3
207.06493	3.1
211.07509	0.5
213.05432	0.4
215.07036	1.1
217.06726	0.4
217.08556	1.6
221.09766	0.4
225.10127	0.4
234.06682	0.9
239.06981	0.8
239.11862	0.4
241.09555	0.5
243.06554	1.1
245.67232	0.4
249.09090	2.0
253.09546	0.6
257.08063	0.6
259.64609	0.3
262.97617	0.3
267.06372	0.4
269.12897	0.6
277.08652	2.7
281.11649	0.9
285.07599	2.7
294.08731	0.7
295.10617	0.6
303.08585	67.0
304.08994	0.8
309.11102	3.0
310.11996	0.3
313.11722	0.8
323.10284	0.6
341.13834	2.2
343.12671	0.4
344.12253	0.3
357.13272	0.4
359.14835	100.0
360.15152	2.0
373.13907	0.5
457.16162	0.5
465.13486	0.4
485.15671	0.4
499.17084	1.0
509.17596	1.2
517.18182	1.8
661.22607	3.7
729.31592	0.6
773.29645	0.6
850.11182	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05135	4.4
67.05496	83.7
69.03417	9.1
69.07054	26.3
71.04971	5.0
71.52729	4.1
71.53154	3.1
79.05483	51.5
81.03400	13.2
81.07045	89.7
83.04952	10.7
83.08606	14.3
85.02895	3.7
85.06501	4.0
86.09676	3.6
91.05467	43.1
93.07034	59.1
95.04956	7.7
95.08600	51.7
97.06506	10.5
97.10161	6.4
105.07030	29.6
107.04925	6.4
107.08580	37.3
109.06500	8.4
109.10121	21.2
111.08041	7.4
117.07007	14.5
119.08589	22.5
120.08856	3.2
121.06493	5.9
121.10135	25.8
123.08038	4.3
123.11687	9.8
129.06960	3.6
131.08565	20.8
133.10132	21.8
135.08063	3.8
135.11682	17.3
137.09541	4.3
143.08585	3.0
145.10065	14.6
147.11650	10.4
149.09625	7.8
149.13223	21.0
151.11156	4.5
157.10086	4.1
159.11728	17.0
161.13234	5.4
163.11166	6.7
163.14793	3.3
165.09151	2.9
171.11722	4.8
173.13246	9.8
176.58011	3.3
177.12744	4.8
183.11592	3.4
184.07320	13.1
195.13753	10.1
243.21082	4.2
255.15988	18.2
257.18927	7.2
261.22067	16.3
269.17462	67.9
275.20004	26.9
279.84576	3.5
292.20013	6.4
293.20493	3.7
317.24667	5.2
333.24136	4.1
335.25760	93.4
336.26013	11.3
349.23703	21.4
367.24759	5.0
413.21594	6.2
491.30322	3.3
515.37085	18.6
529.38837	100.0
530.39117	8.3
609.44849	23.0
627.45453	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	824.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04338	2.7
61.02901	2.9
65.03954	3.9
67.05499	83.6
67.37044	2.5
69.03410	8.8
69.07063	24.8
69.48033	22.0
71.04943	4.2
79.05482	66.0
81.03388	11.3
81.07048	85.7
83.04965	12.8
83.08598	11.2
85.02863	4.5
85.06544	4.0
87.52151	2.8
91.05470	48.7
93.07035	78.6
93.07629	4.1
95.04969	10.9
95.08596	59.2
97.06525	12.0
97.10178	3.5
98.21484	6.1
99.08115	3.1
105.04546	3.9
105.07014	40.1
107.04943	6.2
107.08582	43.1
109.06515	8.5
109.10152	20.7
117.07005	14.6
119.08570	26.4
121.06488	4.2
121.10115	31.2
123.08107	3.1
123.11697	10.2
125.09576	3.2
127.15123	3.1
129.06996	7.0
131.08534	26.2
133.10127	28.7
135.08057	4.6
135.11658	24.0
137.09537	5.3
145.10100	18.2
147.11690	17.6
149.09552	7.1
149.13217	16.7
157.10124	4.6
157.15121	2.8
159.11655	16.8
161.13211	9.0
163.11198	5.0
163.14847	4.3
171.11639	4.0
173.13280	7.6
175.14923	3.0
177.12708	4.2
183.11768	3.2
184.07301	4.7
191.83725	2.7
195.13849	4.7
203.14615	2.8
207.03447	3.2
239.17920	3.8
243.21039	3.3
247.20454	3.7
250.95006	2.6
255.15897	10.7
257.19016	6.7
261.22150	12.8
269.17419	29.1
275.20090	18.4
293.21121	4.5
333.24261	3.2
335.25766	100.0
349.23740	18.0
367.25061	4.9
515.37659	13.4
529.38824	67.6
569.41760	10.3
609.45123	22.0
627.45679	8.6
701.02863	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	824.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	8.0
62.43497	2.8
62.88285	2.8
65.03929	6.3
65.15832	3.0
67.05500	92.3
69.03415	9.3
69.07061	25.9
70.65576	9.1
71.04971	6.8
79.05492	77.6
79.05956	4.5
81.03402	11.2
81.07053	95.4
83.04973	15.2
83.08613	10.8
85.02890	12.8
85.06553	3.7
91.05469	63.5
93.06468	5.6
93.07035	81.3
95.04975	10.8
95.08602	68.2
97.02875	9.4
97.06516	12.2
97.10148	3.1
99.04432	3.6
99.08077	5.3
105.06384	4.7
105.07028	57.1
107.04893	4.2
107.08587	42.3
109.06495	6.8
109.10140	25.1
111.04440	4.3
111.08067	4.4
115.05433	3.7
117.06994	20.8
119.08583	42.5
121.06499	4.8
121.10139	37.4
123.08085	4.1
123.11703	6.7
125.09550	2.9
127.03928	5.1
129.05547	3.2
129.06999	9.5
131.08553	30.7
133.10118	40.7
135.08037	6.5
135.11671	24.0
137.09615	3.7
143.08525	7.0
145.10112	19.6
147.11665	27.5
149.09602	8.2
149.13269	20.5
155.08524	3.5
157.10097	6.8
159.11633	25.7
161.13246	14.8
163.11124	5.8
163.14821	5.6
171.11737	7.7
173.13234	12.2
175.14754	5.3
177.12767	4.4
179.14330	3.7
185.13220	5.2
187.14799	6.9
195.13789	3.4
199.14844	4.1
231.21092	3.7
241.19513	9.5
243.21146	5.0
246.32712	3.0
247.20358	2.8
257.19006	6.8
259.20517	23.9
261.22137	16.0
269.17477	13.4
275.20102	16.8
315.23126	3.3
333.24170	30.2
335.25775	100.0
336.26062	4.4
349.23611	8.5
353.28442	2.9
409.02951	3.5
519.41547	4.2
529.38989	40.5
541.38727	5.2
593.45374	8.5
609.45020	5.0
611.46594	26.2
612.47607	3.8
655.43634	3.1
707.36530	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	824.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	7.8
67.05504	67.5
69.03397	6.3
69.07069	32.9
71.24905	13.5
76.08471	6.7
79.05486	53.6
81.07043	44.6
83.08598	8.8
84.04502	44.2
86.09689	15.0
90.72585	7.0
91.05470	69.2
93.07044	59.4
95.04953	9.9
95.08591	51.3
97.29676	6.5
105.07010	43.8
107.08576	29.7
109.10135	19.3
117.07015	26.5
118.92046	6.7
119.08580	49.7
121.10141	25.0
123.11691	7.5
125.00006	8.0
129.06970	18.2
131.08560	28.7
133.10127	33.4
135.11642	15.6
141.06969	10.4
143.08534	25.6
144.09308	8.0
145.10138	32.5
147.11676	14.5
155.08528	14.9
157.10152	20.6
159.11710	21.7
161.13280	14.2
169.10097	8.6
171.11658	14.1
173.13252	11.9
173.91080	6.9
177.76999	6.9
183.11769	10.4
184.07307	70.5
185.13220	16.1
211.14792	7.3
212.43355	7.0
268.88858	7.3
478.10556	8.5
501.35471	9.5
508.52795	7.9
517.40405	10.1
539.37317	8.7
574.45917	9.2
591.44482	7.6
598.42963	23.9
609.44971	100.0
610.45856	9.1
659.60468	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	826.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	2.7
61.02653	0.6
61.02917	8.9
65.03925	0.9
67.05496	54.2
69.03410	1.5
69.07061	4.3
69.94189	1.1
69.94610	2.0
71.04968	1.8
71.08626	13.7
73.02910	2.9
81.03376	0.7
81.06593	0.7
81.07049	11.3
83.08148	0.7
83.08604	8.3
85.02892	11.6
85.06517	1.4
85.10169	7.9
86.09668	1.8
89.05982	1.1
91.03947	7.1
91.05462	2.8
92.06557	0.4
92.53793	0.5
93.07013	1.7
95.08594	11.7
97.02880	5.7
97.10163	2.6
99.04437	1.0
99.11747	0.7
103.07538	0.5
107.08553	1.3
109.10145	60.5
110.10435	0.8
111.08062	2.8
111.11710	1.1
119.08547	4.1
123.11658	1.9
125.00002	1.3
127.03873	2.9
137.09576	2.0
137.13293	0.8
145.04938	3.3
155.10649	3.3
163.06001	3.9
173.11726	18.1
184.07329	7.0
229.14325	100.0
230.14670	2.2
239.23756	1.6
257.24716	1.6
269.52325	0.6
313.27332	77.1
314.27798	2.6
437.59244	0.6
467.37280	65.5
468.37537	2.8
574.94043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98204	0.8
60.58742	0.8
61.02921	4.2
67.05495	3.5
69.03426	2.7
69.07085	1.9
71.04978	0.9
71.52901	1.0
73.02922	2.7
77.99720	0.8
79.05476	5.4
81.03415	2.6
81.07044	3.9
83.08635	1.0
85.02898	5.1
86.09676	1.6
91.03962	2.1
91.05470	4.9
93.07021	5.0
95.04985	1.1
95.08613	3.3
96.04621	0.8
97.02876	2.8
99.04437	1.6
99.27505	0.7
101.02386	1.1
105.07027	3.8
107.08597	2.8
119.08595	2.3
121.10145	1.4
124.99992	1.9
127.03957	1.2
129.05502	1.1
133.10147	2.4
135.11687	1.3
135.70580	0.9
145.10133	1.4
184.07362	4.4
185.04227	1.8
243.08440	2.7
259.20782	0.9
301.08951	1.4
315.10571	1.0
317.20999	1.0
351.15894	0.9
366.94205	1.0
449.12567	0.9
465.21085	1.4
535.28674	17.3
607.31323	1.7
720.38086	1.1
772.89655	1.0
829.50580	100.0
830.50861	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	835.461
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.6
67.01848	0.3
67.05497	7.8
68.99789	1.5
69.03403	0.6
69.07050	2.0
69.36186	0.3
69.36581	2.2
71.08620	0.3
77.03909	0.2
79.05485	4.4
81.03391	0.3
81.07046	6.0
83.04973	1.4
83.08613	1.2
85.06512	0.2
91.05467	3.3
93.03397	0.6
93.07026	4.7
95.04951	1.1
95.08586	5.1
97.02885	0.5
97.06503	0.3
97.10146	0.7
105.07022	2.1
107.04961	0.5
107.08582	2.6
109.06522	0.4
109.10151	2.2
111.00760	0.4
111.04429	4.6
115.05429	0.6
117.06981	0.8
119.04879	0.3
119.08572	1.8
121.02859	0.9
121.06445	0.3
121.10130	2.3
123.04419	3.9
123.08076	0.6
123.11710	0.5
125.05916	0.3
125.09582	0.4
127.03907	1.7
129.06984	0.5
131.04883	0.4
131.08569	1.5
133.06482	0.4
133.10132	1.1
135.11665	1.2
137.05975	0.7
137.09575	0.2
139.03880	100.0
140.04213	1.3
141.05444	1.0
141.06982	0.5
143.04901	0.4
145.06512	0.6
145.10086	0.7
147.04453	0.4
147.11659	0.8
149.05972	0.9
149.13229	0.6
151.03883	2.1
153.01808	0.4
153.05438	1.7
153.06824	0.5
155.08498	0.3
157.06482	0.9
157.10211	0.3
159.11688	0.6
160.05167	0.2
161.05959	3.8
161.13242	0.6
162.06432	0.2
163.03880	24.3
163.07545	0.7
165.05452	1.4
165.06885	0.5
167.03432	0.3
167.08513	0.5
169.06462	0.5
173.04443	0.4
173.05954	7.5
173.13217	0.3
175.03871	0.3
175.07523	0.8
175.14833	0.4
177.05443	1.0
177.09087	0.8
179.03386	1.2
179.07042	0.3
179.08493	0.4
181.04985	0.5
181.06490	1.5
183.08073	0.6
185.05940	1.1
185.09555	0.3
187.07532	3.7
187.14888	0.3
189.05417	1.5
191.06985	0.4
193.04988	0.3
193.06581	0.3
193.08527	0.3
195.08078	1.1
197.05951	1.1
198.06693	0.3
199.07494	3.4
200.07906	0.3
201.05432	1.0
201.09082	1.4
208.56708	0.3
210.06654	0.4
211.07526	2.7
212.08066	0.3
213.05473	1.0
213.09059	1.9
215.06978	1.0
215.10596	0.3
217.08516	0.3
219.08133	0.4
219.10091	0.3
223.07489	1.5
225.09146	1.1
227.07062	1.2
229.08560	0.4
237.09091	0.8
239.06995	0.3
239.10632	0.5
241.05009	0.4
241.08597	0.3
243.20924	0.4
247.07680	0.3
249.09030	0.4
251.14200	0.5
261.22131	1.4
267.13724	0.4
269.15363	0.6
275.07111	0.3
279.13806	0.6
281.15210	0.4
283.06049	0.6
285.14771	0.6
287.16327	0.5
291.06555	0.3
291.13763	0.3
293.08029	0.3
295.05984	1.1
297.07559	0.4
297.14838	0.8
299.16324	0.6
303.06561	0.3
308.06711	0.7
309.07458	0.7
309.14725	0.6
311.16437	0.4
313.07019	0.8
315.15915	3.4
317.08051	0.3
321.07452	0.7
321.14725	0.6
323.09122	0.4
323.16382	0.5
325.14273	0.5
327.15875	2.4
329.17130	0.3
333.24164	0.4
335.08929	0.7
335.25766	11.1
336.26135	0.4
339.15860	2.5
357.16913	0.3
359.18552	0.7
361.19824	0.4
363.15781	0.3
371.18732	0.4
383.18375	0.3
389.19394	1.2
399.25220	0.7
401.19537	0.9
409.16425	0.5
413.19333	0.6
419.20200	0.5
421.16400	1.9
429.16873	0.7
447.17920	4.1
465.19092	3.4
471.02026	0.3
477.18829	0.3
503.20963	0.3
521.21875	1.2
539.22632	1.3
557.24078	0.3
574.86200	0.3
649.40448	1.2
661.40582	0.9
673.40546	0.5
679.41388	0.7
691.41333	0.5
773.41571	0.3
781.42889	0.4
799.44244	1.6
817.45129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05617	0.2
65.03930	1.4
67.01868	0.2
67.05497	7.2
68.99780	1.6
69.00562	0.2
69.03415	0.4
69.07056	2.0
69.25064	1.0
69.25494	1.0
71.01316	0.2
71.04970	0.2
79.05486	4.0
79.63746	0.2
81.03410	0.3
81.07050	6.1
83.04971	1.4
83.08614	0.9
83.93147	0.2
91.05473	3.0
93.03391	0.9
93.07036	4.5
95.04962	0.9
95.08597	4.8
97.02878	0.5
97.06510	0.3
97.10175	0.3
99.04507	0.2
103.05446	0.3
105.07011	1.6
107.04974	0.3
107.08585	2.3
109.06542	0.4
109.10149	1.7
111.00833	0.4
111.04432	5.4
111.54130	0.2
115.05410	0.4
117.07019	0.7
119.08558	1.2
121.02875	0.8
121.10145	1.8
123.04418	3.3
123.08035	0.3
123.11665	0.4
125.09636	0.3
127.03913	1.4
129.06985	0.6
131.04881	0.5
131.08568	0.9
133.06490	0.3
133.10117	1.0
135.04430	0.2
135.11737	1.0
137.05984	0.6
137.09584	0.3
139.03886	100.0
140.04189	1.0
141.05469	1.0
141.06999	0.5
143.08641	0.3
145.06483	0.6
145.10103	0.7
147.04361	0.5
147.11668	0.5
149.05981	0.7
149.13243	0.4
151.03902	1.9
152.06090	0.3
153.01822	0.2
153.05473	1.4
153.06961	0.6
155.04895	0.4
155.08554	0.4
157.06456	0.5
157.10133	0.2
159.11684	0.4
160.05168	0.3
161.05968	3.7
161.13255	0.6
163.03888	25.6
163.14778	0.2
164.04268	0.2
165.05426	1.0
165.06892	0.5
167.08510	0.6
169.06465	0.6
171.08034	0.4
173.05966	6.7
173.13298	0.3
175.07549	1.1
177.05489	1.0
179.03381	1.2
179.07018	0.4
179.08571	0.3
181.05006	0.5
181.06477	1.0
183.08005	0.5
185.05969	0.8
187.07530	4.1
189.05429	1.0
191.06934	0.3
193.06502	0.3
193.08510	0.2
195.06465	0.4
195.08022	0.6
197.05923	1.1
198.06708	0.5
199.07535	3.5
200.04521	0.3
201.05396	1.0
201.09096	1.3
203.07002	0.6
207.08055	0.3
209.05984	0.3
209.09625	0.2
210.06798	0.4
211.07501	2.2
213.05522	1.1
213.09077	1.9
215.06947	0.5
219.08105	0.3
223.07498	1.0
225.09172	1.0
226.06270	0.4
227.06978	1.2
227.10558	0.4
229.08426	0.3
233.09378	0.2
237.09097	0.7
239.07097	0.4
239.10522	0.3
243.20966	0.3
247.07420	0.3
249.09251	0.4
251.06964	0.3
251.14223	0.3
253.12143	0.2
259.20486	0.4
261.22174	1.0
263.12842	0.3
265.08371	0.2
265.12283	0.2
267.13681	0.4
269.15338	0.6
277.12039	0.2
279.06488	0.3
279.13892	0.3
283.05884	0.5
285.07556	0.3
285.14801	0.3
287.16422	0.4
289.08768	0.2
291.13605	0.3
293.08078	0.2
293.15411	0.3
295.05963	1.1
295.13394	0.2
297.07520	0.3
297.14828	0.8
299.16415	0.6
303.06531	0.3
307.06039	0.2
308.06717	0.7
309.07538	0.6
309.14822	0.8
311.16525	0.3
313.06900	0.9
315.15863	3.5
317.08096	0.4
317.94553	0.2
321.07471	0.9
321.14764	0.4
322.08215	0.3
323.08987	0.5
323.16388	0.5
325.14273	0.6
327.15866	2.2
333.23929	0.3
335.09061	0.7
335.25754	11.2
336.26105	0.3
339.15869	2.5
345.16876	0.2
353.17444	0.3
359.18463	0.5
371.18573	0.2
373.19949	0.2
383.18307	0.3
389.19507	1.3
399.25244	0.9
401.19717	1.2
409.16104	0.2
413.19498	0.7
419.20044	0.4
421.16376	1.8
429.17148	0.4
437.19293	0.3
447.17963	3.8
455.27301	0.3
465.19070	2.8
485.93994	0.2
495.20200	0.4
503.20352	0.5
521.21509	0.9
539.22632	1.4
587.36633	0.2
649.40521	0.9
661.40704	0.7
673.40399	0.5
677.39752	0.3
679.41925	0.4
691.41431	0.6
755.41003	0.3
773.42181	0.4
799.43933	1.2
817.45325	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	8.3
65.03932	1.7
67.05500	31.5
69.03410	3.4
69.07070	9.0
70.87498	2.6
71.04987	3.1
71.08605	1.4
72.76123	1.1
73.02911	3.2
73.10885	1.1
79.05070	2.1
79.05490	25.7
81.03413	39.5
81.07051	43.8
83.04981	10.0
83.07491	1.0
83.08606	18.1
85.02898	23.3
85.06526	3.3
89.12403	1.1
91.03940	5.4
91.05476	25.6
93.07034	28.1
95.04952	15.1
95.08599	13.7
97.02859	6.6
97.06542	6.3
97.10146	3.3
99.08121	2.1
105.07019	12.5
107.04967	5.9
107.08591	18.3
109.02892	1.4
109.06490	3.8
109.10122	3.8
111.04404	1.8
111.08057	9.5
115.05363	1.5
117.07013	5.6
119.04954	1.8
119.07803	1.4
119.08581	13.9
121.06489	2.6
121.10146	13.6
123.08046	2.8
123.11684	3.6
127.03932	1.6
129.06981	6.1
131.08543	9.5
133.06476	2.3
133.10104	9.4
133.29176	1.1
134.54070	1.2
135.11682	5.3
137.05936	2.1
137.09560	1.2
142.07817	1.3
145.04854	1.2
145.10110	2.2
147.04427	2.5
147.08069	2.2
147.11658	9.4
149.09645	4.2
149.13248	9.4
157.10155	10.2
159.11661	5.7
163.06020	1.6
163.11237	1.1
165.12775	2.2
167.07022	3.9
175.11198	7.0
177.05518	1.8
177.12784	2.3
181.04965	2.3
193.12221	24.4
195.13754	6.1
211.13283	29.4
231.29721	1.3
249.15096	1.3
267.15887	22.2
269.17468	45.7
285.16959	27.5
285.19778	0.8
402.98877	1.4
404.56274	1.3
443.28171	2.4
461.22464	2.6
461.28958	55.1
479.30011	100.0
480.29916	1.5
562.73553	1.3
623.33862	2.1
696.39282	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	5.8
65.03925	8.1
67.05499	100.0
69.03409	8.4
69.07063	36.9
69.17517	11.3
69.17942	15.0
71.04961	6.7
79.05487	85.6
81.03407	11.9
81.07050	91.5
83.04980	11.9
83.08615	20.0
85.02898	8.6
85.06514	6.4
86.39417	2.2
91.05473	99.9
93.07035	91.2
94.07375	2.2
95.04980	13.9
95.08597	64.6
97.02878	8.3
97.06500	9.8
97.10162	8.6
98.20773	4.1
99.04433	3.5
99.08065	2.9
103.05449	5.4
105.07023	82.9
106.31021	2.3
107.04926	7.5
107.08581	49.5
109.06480	6.6
109.10134	26.2
111.04446	2.4
111.08074	5.6
115.05434	4.3
117.07009	41.7
119.08566	66.3
121.06486	4.9
121.10128	33.0
123.08029	7.8
123.11690	5.0
125.09624	6.6
127.03883	2.9
128.06204	7.2
129.06984	24.6
130.07794	6.0
131.08546	50.9
132.98605	2.4
133.06468	3.1
133.10115	43.3
135.08031	5.8
135.11690	20.7
137.09583	3.2
141.06940	10.2
142.07756	4.2
143.08542	24.7
145.06450	4.1
145.10117	37.2
147.07983	3.7
147.11674	35.2
149.09566	6.8
149.13281	11.8
150.06508	2.4
153.06978	3.0
154.07732	4.8
155.08585	16.6
156.09267	3.4
157.10117	26.9
159.11679	24.9
161.09584	3.1
161.13257	19.7
163.11107	2.9
163.14803	3.0
166.07684	2.4
167.08511	6.8
169.10127	16.6
171.11664	26.4
173.09663	4.0
173.11815	3.9
173.13243	16.4
175.14783	6.0
177.12727	4.1
181.10106	8.1
183.11679	16.4
184.07205	5.2
185.13225	12.3
187.14851	8.9
195.11700	9.4
195.13516	2.7
197.13263	11.3
199.14807	10.2
201.16266	4.5
203.17924	3.0
207.11734	2.9
209.13234	5.3
211.14803	8.4
213.16426	4.7
215.17937	3.5
223.14851	3.4
225.16356	5.4
227.17995	3.2
229.19513	3.3
231.21002	2.7
235.14781	4.9
237.16406	3.6
239.17918	6.0
241.19481	7.6
257.18900	6.7
259.20560	25.1
269.17447	6.5
271.20627	2.7
273.18533	3.2
275.20178	5.8
277.21573	5.0
283.20642	3.7
297.22122	3.8
309.22021	3.4
310.36575	3.3
313.21674	4.2
315.23105	2.5
333.24319	19.4
349.24698	2.8
435.32773	6.4
453.33200	2.9
513.35736	4.1
515.37946	2.9
517.40277	4.9
527.37500	14.7
533.39648	2.7
545.37830	3.2
591.43921	3.7
607.43311	8.2
609.45111	43.4
610.44794	3.2
625.44208	7.4
657.81049	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	840.5457
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	7.1
67.05499	83.8
69.03413	12.2
69.07072	36.2
69.81397	5.0
71.53055	10.2
79.05055	8.3
79.05486	91.7
81.03388	8.1
81.07050	100.0
83.04964	9.5
83.08597	18.2
87.04465	10.4
91.05470	86.4
93.07037	95.2
95.04955	23.4
95.08596	59.6
97.02904	5.9
97.06509	16.2
97.10136	7.1
104.34462	5.4
105.07017	87.1
107.04938	12.2
107.08582	50.9
109.06522	10.1
109.10147	28.7
111.08057	7.5
111.55723	5.8
117.06998	36.0
119.08551	59.4
121.06535	8.7
121.10119	32.0
123.08061	6.8
123.11661	7.1
129.06982	18.8
131.08569	34.7
133.10118	45.1
135.08067	11.1
135.11649	27.7
137.09558	6.6
143.08542	21.2
145.10086	37.0
147.11684	27.0
149.09637	7.3
149.13251	19.9
151.11108	7.7
155.08510	9.6
157.10127	14.8
159.11674	27.1
161.13237	20.6
163.11230	5.5
165.05542	5.6
169.10078	9.0
171.11652	18.4
173.13239	12.4
175.14790	8.5
177.12614	7.6
183.11647	13.8
184.07323	17.7
185.13332	7.9
187.14815	5.7
197.13173	7.9
199.14812	9.3
200.54411	6.2
209.13107	5.4
241.19499	21.8
255.15979	16.6
259.20517	47.3
267.15915	6.9
269.17380	31.4
275.20023	14.6
315.23526	5.8
333.24213	44.8
349.23712	10.0
435.32236	9.5
453.33481	9.8
471.34814	9.7
509.36618	7.3
513.35553	21.6
527.37292	59.3
545.37732	7.4
579.96661	6.6
607.43329	18.0
625.44220	24.7
770.48151	5.8
864.98914	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	840.5457
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	7.1
67.05499	83.8
69.03413	12.2
69.07072	36.2
69.81397	5.0
71.53055	10.2
79.05055	8.3
79.05486	91.7
81.03388	8.1
81.07050	100.0
83.04964	9.5
83.08597	18.2
87.04465	10.4
91.05470	86.4
93.07037	95.2
95.04955	23.4
95.08596	59.6
97.02904	5.9
97.06509	16.2
97.10136	7.1
104.34462	5.4
105.07017	87.1
107.04938	12.2
107.08582	50.9
109.06522	10.1
109.10147	28.7
111.08057	7.5
111.55723	5.8
117.06998	36.0
119.08551	59.4
121.06535	8.7
121.10119	32.0
123.08061	6.8
123.11661	7.1
129.06982	18.8
131.08569	34.7
133.10118	45.1
135.08067	11.1
135.11649	27.7
137.09558	6.6
143.08542	21.2
145.10086	37.0
147.11684	27.0
149.09637	7.3
149.13251	19.9
151.11108	7.7
155.08510	9.6
157.10127	14.8
159.11674	27.1
161.13237	20.6
163.11230	5.5
165.05542	5.6
169.10078	9.0
171.11652	18.4
173.13239	12.4
175.14790	8.5
177.12614	7.6
183.11647	13.8
184.07323	17.7
185.13332	7.9
187.14815	5.7
197.13173	7.9
199.14812	9.3
200.54411	6.2
209.13107	5.4
241.19499	21.8
255.15979	16.6
259.20517	47.3
267.15915	6.9
269.17380	31.4
275.20023	14.6
315.23526	5.8
333.24213	44.8
349.23712	10.0
435.32236	9.5
453.33481	9.8
471.34814	9.7
509.36618	7.3
513.35553	21.6
527.37292	59.3
545.37732	7.4
579.96661	6.6
607.43329	18.0
625.44220	24.7
770.48151	5.8
864.98914	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	841.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.8
70.21700	1.0
70.22065	1.8
77.00904	0.6
82.99841	1.2
85.02894	1.9
94.99854	0.7
97.02871	1.8
98.97584	0.8
101.00849	4.3
103.02444	1.9
109.02872	0.9
113.00832	1.0
119.01913	16.2
121.03474	1.6
127.02400	4.6
127.03901	1.3
129.04024	0.6
131.01906	8.8
133.03458	1.1
137.02954	3.2
139.02364	0.9
143.01892	12.4
145.03452	29.5
146.03624	1.0
146.99696	0.7
147.01404	1.6
149.02972	3.1
151.17152	0.5
155.01881	16.4
156.02089	0.6
157.03459	11.1
157.04718	0.7
161.02951	19.4
162.03304	0.9
163.04523	5.6
167.01857	5.1
167.02875	0.5
168.05058	0.7
169.03479	2.3
171.01343	4.3
171.05034	1.9
173.02945	34.2
174.03111	1.8
175.04478	4.6
177.02309	0.6
179.01883	1.7
183.01395	1.3
183.05095	0.6
184.04604	1.1
185.02936	29.6
186.03162	1.2
187.03040	0.8
187.04495	4.1
189.00882	1.1
189.02441	6.5
191.04080	1.7
193.01935	1.1
196.04547	1.3
197.02936	10.1
197.04565	1.0
199.00917	2.4
199.04539	2.3
201.00694	0.6
201.02489	1.5
203.02281	0.5
203.03992	10.6
208.04524	1.4
209.02913	2.7
211.00821	0.8
211.04506	1.1
215.04018	9.0
217.01920	38.4
218.02037	0.8
219.01775	1.4
221.04971	3.3
227.04027	7.5
229.01935	7.5
229.05563	1.4
235.02966	18.1
237.02852	0.8
239.03941	1.3
241.01868	0.6
245.05037	63.6
246.05263	2.8
247.02855	5.0
247.06696	1.5
253.04089	1.9
257.05017	8.1
258.04834	2.0
263.06076	10.8
275.05975	5.5
276.11783	0.6
277.03931	6.3
286.07849	1.5
293.07285	2.0
301.03970	5.6
305.07166	4.4
307.06512	1.2
319.05066	13.0
331.06705	1.0
335.08392	2.6
337.06131	17.4
338.06473	1.0
360.84741	0.7
365.09332	8.3
366.09818	0.6
383.10327	0.7
409.09839	5.0
425.11264	4.0
427.10950	1.2
455.12778	0.7
469.11737	0.7
481.10849	2.3
499.11423	100.0
500.11694	6.0
573.09552	0.9
589.15808	0.9
723.22693	0.6
751.21490	1.0
817.10321	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08168	3.3
60.95412	0.4
65.03941	1.8
66.04731	1.1
67.05508	1.6
69.47329	0.3
70.03371	0.7
70.03786	1.7
71.07373	1.4
74.07400	0.5
77.03914	0.8
78.04716	1.7
79.05485	7.3
80.06261	0.6
81.03396	0.7
81.07067	0.6
83.04994	0.9
86.09698	15.4
90.04689	0.5
91.05466	10.6
92.02631	0.6
92.06268	0.9
93.03410	0.7
93.07061	1.2
94.04171	3.0
94.80040	0.4
95.01329	0.7
95.04958	8.5
96.05743	2.4
97.06526	0.4
98.98470	1.5
103.05456	5.7
104.06238	1.3
104.10731	1.9
105.03376	2.1
105.04518	1.1
105.07022	7.0
106.04196	0.7
107.04940	11.3
108.05732	10.5
109.02850	2.1
109.06509	6.3
110.03639	1.4
111.04409	0.5
115.05434	3.0
117.07008	4.4
118.04144	2.5
119.04929	4.0
119.08534	0.7
120.05724	1.9
121.06498	13.4
122.03617	0.6
122.07274	3.1
123.04417	4.5
123.08063	0.7
124.05194	17.5
124.99993	10.6
125.00896	0.7
125.05970	3.5
128.20537	0.4
129.07007	0.8
130.04167	0.6
131.04910	6.0
132.05719	2.9
133.02835	1.4
133.06479	8.2
134.07291	4.2
135.04416	4.9
135.08037	7.5
136.05215	2.8
137.05963	10.4
138.06740	17.7
139.07521	72.8
140.07851	0.8
144.05746	0.5
145.06487	3.8
146.07249	23.4
147.04393	5.2
147.08058	2.6
147.76743	0.4
148.05193	3.5
149.05963	6.3
149.09608	1.3
150.05531	0.9
150.06744	16.0
151.07524	100.0
152.04659	0.6
152.07916	1.3
153.04309	0.7
153.05457	7.3
154.06258	0.7
155.07030	0.8
157.06512	0.5
158.07188	0.4
159.08089	0.7
160.05202	0.6
160.08766	0.7
161.05946	4.1
162.06743	16.1
163.03922	1.1
163.07530	16.3
164.08282	2.5
165.05467	7.9
165.09096	49.4
166.06219	1.0
166.09882	8.5
167.07016	61.6
168.07799	12.8
171.12616	0.4
172.08873	0.6
173.05974	1.0
175.07510	2.3
176.08360	0.6
177.09087	54.4
178.06232	1.6
178.09401	0.6
179.06999	1.0
179.10643	0.8
180.07788	1.0
181.08534	0.7
184.07318	52.8
184.91522	0.4
188.08359	1.0
189.09071	1.9
190.09908	0.5
191.06960	2.2
192.07751	0.5
193.08580	17.5
194.09361	15.4
195.10158	4.4
203.07025	0.7
203.10683	0.7
205.12231	0.8
215.10666	0.6
230.17282	0.4
239.06982	0.5
241.08569	0.6
243.10124	0.4
247.09561	0.7
249.11192	1.8
251.10724	0.4
257.08023	1.2
265.10651	1.6
267.10056	0.6
271.09671	0.8
286.76706	0.4
287.12750	7.3
292.65689	0.5
294.12338	1.1
297.11310	0.5
303.12216	0.7
310.12012	0.4
312.13382	1.0
313.14178	1.3
325.14154	1.8
339.15875	0.5
343.15353	0.9
756.44257	0.5
824.48767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76610	1.3
71.52746	1.3
71.53203	2.5
75.04515	1.2
79.05504	8.1
80.45071	1.4
86.09698	7.0
91.05471	7.4
92.06236	1.4
94.04169	4.1
95.04943	9.9
96.05754	1.5
103.05463	7.2
105.07046	12.5
107.04942	12.5
107.08573	2.0
108.05732	10.2
109.02844	1.6
109.06505	5.4
110.03650	2.2
117.07032	2.1
118.04147	2.0
119.04926	6.0
120.05692	3.5
121.06516	9.7
122.07244	3.7
123.04430	5.4
124.05190	13.4
125.00018	3.3
125.05976	5.2
131.04900	1.7
132.05704	4.0
133.06471	9.9
134.07275	5.2
135.04413	4.9
135.08028	7.7
136.05220	2.3
137.05994	6.6
138.06747	26.3
139.03874	2.1
139.07527	56.0
139.08606	3.1
145.06471	1.8
146.07253	3.2
147.04378	4.8
148.05157	3.5
149.05971	4.9
150.06749	23.6
151.07533	100.0
151.19948	1.6
153.05431	11.2
161.05980	5.6
162.06746	22.3
163.07539	31.0
165.05440	3.6
165.09100	95.9
166.09866	12.3
167.07036	51.5
168.07790	7.9
177.09088	5.7
178.06261	2.8
178.09825	2.2
179.07001	1.6
184.07355	17.5
191.06923	1.9
193.08589	56.7
194.09384	33.0
194.11185	2.1
195.10147	4.8
204.07942	1.6
266.05334	1.6
274.19104	1.6
287.12714	4.7
315.15839	4.4
862.00977	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	2.7
61.02922	8.4
65.03923	1.8
66.71244	0.8
67.05498	77.9
69.03419	1.1
69.07058	6.9
69.52271	0.8
71.04974	2.4
71.52851	1.5
73.02892	3.4
79.05485	14.0
81.03387	1.6
81.06586	1.5
81.07049	28.4
83.08621	6.1
85.02894	11.2
85.06538	1.7
91.03937	8.7
91.05464	10.5
93.07034	15.6
93.07564	1.5
95.04916	1.2
95.08595	19.2
97.02872	6.9
97.06493	1.1
97.10135	2.3
99.04459	1.2
103.05531	0.9
105.07013	4.7
107.08595	10.7
109.06460	1.0
109.10146	64.8
111.08054	2.7
115.03937	0.8
117.07014	2.8
117.38714	0.8
119.08560	9.0
121.10120	9.5
123.11707	3.1
127.03863	2.7
131.08531	4.4
133.10091	3.8
135.11665	7.6
137.09596	2.9
137.13196	1.9
145.04953	3.1
145.10106	4.2
147.11674	2.8
148.27052	0.7
149.13229	4.7
155.10658	3.2
159.11673	2.8
161.13239	2.8
163.06004	4.5
163.14789	2.4
173.11754	22.5
173.13210	3.3
175.14830	0.9
184.07344	2.9
187.14801	0.9
227.12749	6.2
229.14328	100.0
230.14622	1.5
233.22551	1.3
243.21054	4.5
258.65842	0.8
261.22104	19.3
271.00958	0.9
317.24597	3.9
335.25763	70.0
336.26022	1.7
373.54218	0.8
379.29654	1.4
397.30923	2.4
415.31882	1.6
433.32852	1.0
471.34637	1.8
489.35703	49.3
490.35748	1.8
507.36807	6.8
511.98788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	4.2
61.02925	12.0
61.46137	0.7
65.03938	2.9
67.05500	100.0
68.05840	1.0
69.03429	2.7
69.07063	8.1
71.04985	4.0
71.05330	0.7
73.02905	4.3
73.68570	0.6
75.17246	0.6
79.05489	20.7
81.03429	1.2
81.07050	44.0
83.04973	1.0
83.08611	9.9
85.02895	13.9
85.06555	3.2
86.09709	1.3
91.03943	8.2
91.05473	15.7
92.11609	0.7
93.07033	26.9
95.04977	2.5
95.08599	30.8
96.04517	0.7
97.02891	6.5
97.06495	1.2
97.10164	2.5
99.08104	1.0
101.02369	0.7
105.04523	0.7
105.07019	9.3
105.07584	0.8
107.08582	13.9
107.09302	0.9
109.02895	1.0
109.06563	1.3
109.10147	84.7
110.10475	1.3
111.08067	3.4
111.78761	0.7
113.09640	0.9
116.93004	0.6
117.07026	3.3
118.81834	0.6
119.08585	12.2
119.09425	0.5
121.10128	13.8
121.10921	1.0
123.11698	4.2
125.09644	2.7
127.03944	3.6
131.08565	6.3
133.10120	7.3
135.11673	10.2
137.09599	4.5
137.13252	1.6
139.11255	0.8
145.04932	3.4
145.10129	4.6
147.11687	4.3
149.13268	5.7
155.10631	4.3
159.11665	4.4
161.13248	4.1
163.05998	3.2
163.14833	2.7
173.11755	24.5
173.13264	4.1
175.14816	1.4
177.16481	1.2
184.07385	2.1
187.14871	1.2
208.11375	0.7
227.12775	4.9
229.14331	82.0
230.14720	1.3
233.22667	0.9
243.20998	7.0
258.13452	0.7
261.22128	19.0
317.24777	2.7
333.24503	0.9
335.25766	71.9
336.26324	1.6
373.18842	0.7
397.31186	1.9
415.32199	0.8
471.34866	1.9
478.14832	0.8
489.35706	67.4
490.36227	3.1
507.36826	5.1
575.96356	0.7
580.15521	0.7
633.39355	0.9
865.41504	0.8
867.08917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	0.3
67.05492	0.2
68.99777	2.0
69.43481	1.1
77.03935	0.2
79.05471	0.5
81.03406	0.3
85.02895	0.2
86.29169	0.2
91.05460	1.0
93.03358	0.2
95.04944	0.8
97.02859	0.2
103.05438	0.2
105.03354	0.4
105.07021	0.3
107.04942	8.5
109.02862	0.6
111.00790	0.9
111.04433	0.5
115.05424	0.6
119.04922	4.6
121.02853	1.8
123.04410	7.2
123.05312	0.3
127.03917	2.0
128.06097	0.2
129.06987	0.3
131.04883	0.7
133.02740	0.2
133.06424	0.5
135.04396	1.7
137.02322	9.5
137.03378	0.7
138.02663	0.3
139.03876	1.7
139.05429	0.2
141.06990	0.4
143.04871	0.5
145.06461	0.8
147.04385	7.1
149.02312	3.8
149.05923	0.2
151.03879	2.4
153.01811	2.9
155.03333	0.6
155.04741	0.2
157.06445	1.1
159.04440	1.0
161.05962	1.6
163.03871	3.9
165.01831	0.5
165.05460	0.9
165.06804	0.3
167.03506	0.9
167.04700	0.2
169.06483	1.0
171.04404	1.3
171.05637	0.3
171.08003	0.4
173.05965	0.6
174.19145	0.2
175.03842	1.5
177.01843	0.3
177.05449	0.7
179.03381	2.1
179.07008	0.2
181.06424	0.3
183.04436	0.4
183.08069	0.2
185.05971	2.2
187.03851	1.0
187.07498	0.7
189.05405	1.8
191.03374	1.9
193.04947	1.0
197.05946	2.1
199.03918	0.9
199.07530	0.5
201.05389	1.4
203.03363	4.6
203.07100	0.3
205.04955	0.3
207.02800	0.2
207.06543	0.8
211.07553	0.3
213.05424	3.7
215.03406	0.7
215.07024	0.6
217.04886	0.7
220.86197	0.2
221.04379	0.5
223.07457	0.3
225.05403	0.7
227.03380	0.8
227.07063	0.4
229.04909	2.1
231.06482	12.0
233.04292	1.1
235.02461	0.2
237.05431	0.5
239.06963	1.4
241.04872	1.8
242.05746	0.3
243.06474	8.1
245.04433	3.9
245.08147	0.3
246.50639	0.2
247.05952	2.1
249.05458	0.2
253.04938	0.7
255.06459	2.0
257.04419	17.3
257.08011	2.1
258.05154	2.4
259.05963	3.3
265.04950	0.3
267.06454	3.3
268.03690	0.2
269.04385	3.5
270.05124	0.2
271.02734	0.3
271.05844	1.5
273.07526	2.4
275.05289	1.4
281.04391	1.1
281.07693	0.2
283.05884	0.9
285.03983	0.8
285.07471	5.5
286.04767	0.9
287.05447	100.0
288.05725	2.7
292.96570	0.2
293.04315	0.5
295.05948	0.6
297.03912	0.5
297.07510	0.3
299.05420	2.1
301.07080	0.2
303.08612	0.7
307.06006	0.3
309.03867	0.5
309.07462	0.3
311.05414	1.1
315.04904	0.5
317.08163	0.3
319.05966	0.2
321.03839	0.2
321.07452	0.4
323.05447	0.4
325.03235	0.2
327.04926	0.4
333.03937	0.3
333.07770	0.2
335.05536	0.2
337.07013	0.4
345.07581	0.6
347.05396	0.4
347.09235	0.3
349.06995	0.5
351.05011	0.4
351.08826	0.3
359.09143	0.2
361.07034	0.5
363.08569	0.7
365.06253	0.3
365.10349	0.2
369.08069	0.2
373.07034	1.3
375.08737	0.3
377.06320	0.9
379.08188	0.2
387.09030	0.4
389.06494	1.0
391.08096	2.5
393.05841	0.4
393.09882	2.8
394.06686	0.2
395.11292	6.4
401.06442	0.2
403.08273	0.4
405.09662	0.7
407.07532	0.8
409.09116	7.3
413.08612	1.9
415.08026	1.6
417.06012	0.9
419.07111	1.3
421.09048	0.6
425.08633	1.2
427.10474	0.9
429.05569	0.3
431.07614	0.4
433.09259	2.1
435.07172	1.1
437.12704	0.3
447.07077	1.3
453.08575	0.8
459.06934	0.4
481.09235	0.2
513.11719	0.5
517.11237	16.0
518.11572	0.4
523.09857	0.5
525.07477	0.9
529.11273	0.4
531.12372	0.6
537.08002	0.2
541.11414	2.0
543.09137	6.6
553.10864	1.1
555.09064	0.6
559.12195	1.3
561.10193	1.7
571.12103	0.3
573.10168	3.3
585.09515	0.5
661.12842	1.1
679.14465	2.9
695.13818	8.5
696.13556	0.3
713.14880	5.9
725.14795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	0.3
67.05492	0.2
68.99777	2.0
69.43481	1.1
77.03935	0.2
79.05471	0.5
81.03406	0.3
85.02895	0.2
86.29169	0.2
91.05460	1.0
93.03358	0.2
95.04944	0.8
97.02859	0.2
103.05438	0.2
105.03354	0.4
105.07021	0.3
107.04942	8.5
109.02862	0.6
111.00790	0.9
111.04433	0.5
115.05424	0.6
119.04922	4.6
121.02853	1.8
123.04410	7.2
123.05312	0.3
127.03917	2.0
128.06097	0.2
129.06987	0.3
131.04883	0.7
133.02740	0.2
133.06424	0.5
135.04396	1.7
137.02322	9.5
137.03378	0.7
138.02663	0.3
139.03876	1.7
139.05429	0.2
141.06990	0.4
143.04871	0.5
145.06461	0.8
147.04385	7.1
149.02312	3.8
149.05923	0.2
151.03879	2.4
153.01811	2.9
155.03333	0.6
155.04741	0.2
157.06445	1.1
159.04440	1.0
161.05962	1.6
163.03871	3.9
165.01831	0.5
165.05460	0.9
165.06804	0.3
167.03506	0.9
167.04700	0.2
169.06483	1.0
171.04404	1.3
171.05637	0.3
171.08003	0.4
173.05965	0.6
174.19145	0.2
175.03842	1.5
177.01843	0.3
177.05449	0.7
179.03381	2.1
179.07008	0.2
181.06424	0.3
183.04436	0.4
183.08069	0.2
185.05971	2.2
187.03851	1.0
187.07498	0.7
189.05405	1.8
191.03374	1.9
193.04947	1.0
197.05946	2.1
199.03918	0.9
199.07530	0.5
201.05389	1.4
203.03363	4.6
203.07100	0.3
205.04955	0.3
207.02800	0.2
207.06543	0.8
211.07553	0.3
213.05424	3.7
215.03406	0.7
215.07024	0.6
217.04886	0.7
220.86197	0.2
221.04379	0.5
223.07457	0.3
225.05403	0.7
227.03380	0.8
227.07063	0.4
229.04909	2.1
231.06482	12.0
233.04292	1.1
235.02461	0.2
237.05431	0.5
239.06963	1.4
241.04872	1.8
242.05746	0.3
243.06474	8.1
245.04433	3.9
245.08147	0.3
246.50639	0.2
247.05952	2.1
249.05458	0.2
253.04938	0.7
255.06459	2.0
257.04419	17.3
257.08011	2.1
258.05154	2.4
259.05963	3.3
265.04950	0.3
267.06454	3.3
268.03690	0.2
269.04385	3.5
270.05124	0.2
271.02734	0.3
271.05844	1.5
273.07526	2.4
275.05289	1.4
281.04391	1.1
281.07693	0.2
283.05884	0.9
285.03983	0.8
285.07471	5.5
286.04767	0.9
287.05447	100.0
288.05725	2.7
292.96570	0.2
293.04315	0.5
295.05948	0.6
297.03912	0.5
297.07510	0.3
299.05420	2.1
301.07080	0.2
303.08612	0.7
307.06006	0.3
309.03867	0.5
309.07462	0.3
311.05414	1.1
315.04904	0.5
317.08163	0.3
319.05966	0.2
321.03839	0.2
321.07452	0.4
323.05447	0.4
325.03235	0.2
327.04926	0.4
333.03937	0.3
333.07770	0.2
335.05536	0.2
337.07013	0.4
345.07581	0.6
347.05396	0.4
347.09235	0.3
349.06995	0.5
351.05011	0.4
351.08826	0.3
359.09143	0.2
361.07034	0.5
363.08569	0.7
365.06253	0.3
365.10349	0.2
369.08069	0.2
373.07034	1.3
375.08737	0.3
377.06320	0.9
379.08188	0.2
387.09030	0.4
389.06494	1.0
391.08096	2.5
393.05841	0.4
393.09882	2.8
394.06686	0.2
395.11292	6.4
401.06442	0.2
403.08273	0.4
405.09662	0.7
407.07532	0.8
409.09116	7.3
413.08612	1.9
415.08026	1.6
417.06012	0.9
419.07111	1.3
421.09048	0.6
425.08633	1.2
427.10474	0.9
429.05569	0.3
431.07614	0.4
433.09259	2.1
435.07172	1.1
437.12704	0.3
447.07077	1.3
453.08575	0.8
459.06934	0.4
481.09235	0.2
513.11719	0.5
517.11237	16.0
518.11572	0.4
523.09857	0.5
525.07477	0.9
529.11273	0.4
531.12372	0.6
537.08002	0.2
541.11414	2.0
543.09137	6.6
553.10864	1.1
555.09064	0.6
559.12195	1.3
561.10193	1.7
571.12103	0.3
573.10168	3.3
585.09515	0.5
661.12842	1.1
679.14465	2.9
695.13818	8.5
696.13556	0.3
713.14880	5.9
725.14795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	6.0
67.05494	1.1
69.03406	1.1
69.07050	0.8
69.28090	4.6
69.28513	1.6
70.06193	1.3
70.06586	24.4
71.08625	3.9
72.08132	1.3
79.01831	0.9
79.05460	0.8
81.03416	1.0
81.07031	1.2
84.08143	0.9
85.10153	1.4
88.07086	1.4
88.07623	28.8
91.05473	1.3
93.03450	0.8
95.04952	1.1
102.09169	21.6
105.03383	1.1
109.10063	0.6
111.04439	0.8
121.02848	3.0
128.91957	0.6
129.03311	0.7
131.04979	0.9
133.02783	0.8
139.03893	4.1
147.04407	2.1
149.02333	100.0
149.03398	6.5
150.02708	1.1
159.11633	0.8
162.60306	0.6
175.03935	2.8
177.05508	3.3
178.15956	0.8
191.07008	1.8
193.04947	53.0
194.05193	1.0
212.23735	1.2
219.06558	2.4
237.07568	10.5
255.38017	0.6
256.26324	72.0
257.26706	1.9
269.04428	0.8
297.03943	1.4
300.28949	3.2
313.07169	1.5
341.06552	4.4
343.08130	1.7
359.07645	2.6
385.09122	7.7
429.11841	1.7
453.49084	0.7
577.13202	9.7
588.36084	0.7
621.15948	13.4
622.16724	0.7
817.84375	0.7
832.39160	2.9
850.39935	97.2
851.40118	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	851.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02077	0.9
65.03934	3.8
68.99777	10.7
70.12747	3.7
70.69435	0.8
79.05482	2.0
81.03407	2.1
82.03354	1.0
83.04939	1.3
85.02903	1.5
89.03886	1.3
91.05465	7.7
95.04976	6.9
103.05527	1.2
105.03358	1.3
107.04944	100.0
108.05284	1.8
109.02872	1.9
111.00790	8.3
111.04421	7.6
115.05441	1.7
117.06939	1.3
119.04929	61.6
120.05219	1.5
121.02872	9.9
121.06519	1.3
123.04416	59.2
124.04715	1.8
127.03905	54.8
129.07047	1.3
131.04922	2.3
133.06487	8.4
135.04402	33.7
135.05415	1.9
137.02325	5.8
137.06055	0.9
139.03885	68.1
141.06975	1.2
143.04935	1.2
145.06473	12.7
147.04393	55.2
148.04831	1.2
149.02324	13.5
151.03893	24.7
153.01833	1.4
153.06876	1.4
157.06516	5.4
159.04451	2.6
159.07961	1.0
161.02328	1.7
161.05965	10.7
163.03889	47.0
165.05463	7.2
165.06628	1.2
167.03383	15.3
169.04974	2.2
169.06413	1.3
171.04355	11.5
171.08035	2.2
173.02281	1.6
173.05968	3.1
175.03888	5.2
177.05492	5.4
179.03371	15.4
181.04939	2.4
181.06462	3.7
183.04343	1.1
185.05934	8.6
187.03867	6.0
187.07475	3.2
189.05446	11.0
191.03366	14.6
193.04948	2.7
197.05989	3.5
199.03885	1.2
199.07523	3.8
201.05458	4.6
203.03389	18.1
203.07033	4.2
205.04973	2.6
207.02901	2.4
207.06522	1.9
211.07484	0.9
213.05481	7.9
215.03386	4.7
215.07005	3.6
217.04988	4.3
219.06400	1.2
221.04491	1.2
223.02263	2.1
225.05493	2.3
227.03412	2.0
227.06944	6.9
229.04904	10.1
231.02902	1.8
231.06497	62.9
232.06772	1.7
233.04434	5.1
237.05447	2.0
239.07086	1.1
241.04903	4.6
242.05637	1.2
243.06491	8.5
245.04428	46.0
245.08194	4.0
246.04863	1.3
247.06018	22.6
247.08447	1.9
251.05544	1.1
253.04941	3.9
255.06480	20.0
257.04434	18.9
258.05069	1.3
259.05978	18.3
263.05405	1.7
265.05109	1.2
267.06470	2.8
269.04425	6.1
271.05981	16.6
272.06561	1.2
273.07547	27.7
274.04745	2.0
275.05463	19.8
279.06595	1.5
281.04343	6.0
283.05981	12.4
285.03885	2.8
285.07516	3.5
287.05457	30.2
288.05887	1.7
289.07062	23.5
291.08636	22.1
295.05902	4.4
297.03830	4.3
297.07635	3.1
299.05444	8.6
301.06989	22.5
303.08554	3.8
305.07654	1.0
307.05933	1.7
309.03925	3.8
309.07318	1.4
311.05484	3.0
313.07004	3.8
321.03757	1.9
321.07297	1.5
323.05460	6.7
325.06955	1.3
327.04971	1.0
329.07370	1.0
347.09201	1.3
349.07074	1.1
351.04953	8.9
351.08600	1.4
361.06918	1.4
363.08463	2.2
365.06351	5.7
375.08594	3.4
377.06390	1.9
379.08072	5.0
380.08716	1.2
381.09628	6.5
383.07648	11.4
389.06479	3.0
391.08124	4.3
393.05093	9.0
393.10272	14.3
395.07455	3.0
403.07867	4.0
405.05725	7.1
407.07419	17.3
407.11731	1.2
409.09122	27.6
411.10544	5.2
417.10104	1.4
419.07355	1.9
421.09000	6.9
425.08716	9.6
427.10202	23.5
433.09103	2.7
435.10995	4.5
437.08386	7.4
439.10229	4.1
451.10037	2.6
453.11688	3.4
501.11703	9.2
511.10254	4.2
519.12579	4.3
525.11511	2.3
527.09485	1.8
529.10889	2.2
545.10699	12.3
555.12585	2.3
557.11426	1.4
561.13672	2.3
573.13745	1.3
579.15277	6.1
663.14203	3.2
681.15570	3.8
683.17542	1.1
697.14984	4.0
702.17609	1.1
715.16791	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.217
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.2
67.05460	1.6
67.07905	1.2
68.99781	13.7
71.28184	3.0
79.05492	2.8
81.03397	3.2
83.04961	1.5
85.02827	1.7
89.03874	1.3
91.05461	8.1
93.03381	1.4
95.04958	9.6
103.05476	1.3
105.03384	2.0
106.07157	1.3
107.04947	87.6
109.02842	1.5
111.00802	13.0
111.04416	6.8
115.05466	2.5
119.04933	52.4
121.02854	7.1
123.04418	73.3
127.03906	47.4
131.04906	3.3
133.06462	5.3
135.03381	2.5
135.04401	41.6
137.02319	5.9
139.03889	56.3
145.06462	7.5
147.04396	41.1
149.02330	15.6
151.03891	25.8
153.06976	1.5
153.93288	1.5
157.06476	5.2
159.04361	2.9
161.05974	8.7
163.03889	56.4
165.01881	1.7
165.05490	7.8
165.06775	1.4
167.03369	9.6
169.04988	1.8
169.06435	2.6
171.04385	5.0
173.05966	3.7
175.03923	6.0
177.05421	7.4
179.03409	11.2
181.04951	2.4
183.04448	2.5
185.05983	6.5
187.03970	6.6
187.07596	1.7
189.05444	10.3
191.03365	17.0
193.04919	2.3
197.05945	3.2
199.07520	3.4
201.05463	8.7
203.03372	19.1
203.07019	4.1
205.04951	3.1
207.06551	1.7
213.05508	8.7
215.03336	5.2
215.06947	5.6
217.04939	4.5
219.74071	1.3
223.02359	3.1
225.05486	2.0
227.06999	4.3
229.04919	11.0
231.06499	67.5
232.06856	2.9
233.04425	5.4
237.05460	2.9
241.04855	4.3
243.02785	2.5
243.06534	10.1
244.03532	1.7
245.04437	100.0
245.08144	4.3
246.04869	1.6
247.05956	18.5
253.04993	2.6
255.06506	19.7
257.04440	22.7
258.05130	2.5
259.06021	9.5
263.05563	2.0
265.04919	1.5
267.06512	3.8
269.04428	9.3
269.07077	1.1
270.05066	2.6
271.05951	15.1
273.04108	2.2
273.07535	35.9
274.04739	8.3
274.07498	1.5
275.05450	34.7
276.05688	1.4
279.06494	2.3
281.04248	3.4
283.05984	11.5
285.03885	3.7
285.07645	4.5
287.05478	34.3
288.05881	3.8
289.07056	20.8
291.08655	15.7
295.05820	4.1
297.04077	2.8
297.07248	2.7
299.05368	8.8
301.07034	16.3
303.05124	2.3
303.08636	3.3
307.06015	2.0
309.03937	4.1
311.05365	3.2
313.07007	2.6
323.05353	2.3
329.06549	1.9
337.07007	1.6
345.07373	1.8
349.06949	1.7
351.04984	3.2
361.06973	4.8
365.06293	2.0
375.08478	2.8
379.08029	4.6
380.08646	2.2
381.09616	15.8
383.07446	5.5
389.06384	3.0
391.08167	6.2
393.05719	4.5
393.10120	11.6
403.08096	3.2
405.05789	4.6
407.07578	35.6
408.08017	1.4
409.09180	24.5
410.09299	1.6
411.10562	6.3
417.09674	3.7
419.07434	6.4
421.09119	6.3
425.08658	13.3
427.10254	20.1
433.09329	2.9
435.10672	6.8
437.08530	14.5
439.10004	3.3
449.08032	1.5
451.10159	2.7
453.11627	3.3
501.11884	2.3
519.12671	3.1
522.95288	1.4
525.11627	3.5
527.09332	2.1
529.11115	2.8
543.12280	3.4
545.10779	8.2
555.11914	2.7
561.13519	3.3
573.13196	1.7
579.14801	3.6
681.15662	3.0
697.15137	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.437
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23451	0.3
61.02917	10.9
62.93214	0.4
65.03925	1.3
67.05495	28.5
69.03419	8.1
69.07056	9.6
69.95977	0.8
69.96391	1.0
71.01339	0.9
71.04986	6.8
73.02901	3.3
78.19378	0.4
79.05482	32.8
81.03407	100.0
81.07043	35.7
82.03746	1.0
83.04973	23.5
83.08610	35.4
85.02894	43.8
85.06539	2.8
87.04430	0.8
91.03946	7.1
91.05469	46.3
92.05820	0.5
93.07030	22.8
95.04955	40.6
95.08590	14.8
97.02878	10.0
97.06522	5.7
97.10149	5.9
98.21485	0.5
99.04447	1.4
99.08092	2.2
101.05949	0.4
103.03958	0.4
103.05448	0.7
105.04525	0.8
105.07017	33.4
106.07378	0.7
107.04943	10.3
107.08583	11.1
109.02869	1.3
109.06504	6.5
109.10148	4.0
111.04431	4.3
111.08067	16.9
113.05997	4.2
115.03935	0.4
115.05426	2.3
116.06251	0.5
117.07000	2.6
119.04919	0.9
119.08566	28.3
120.08910	0.4
121.06490	2.9
121.10125	13.0
122.10461	0.5
123.04418	0.7
123.08056	4.1
123.11687	2.2
125.05994	0.9
125.09607	2.6
127.03890	3.7
127.07531	0.8
128.06218	0.9
129.06989	15.7
131.04953	0.4
131.08556	18.1
132.08812	0.4
133.06474	4.4
133.10110	16.7
135.04347	0.5
135.08057	1.0
135.11688	1.0
137.05954	1.5
137.09612	3.0
141.06940	0.6
142.07765	4.1
144.06468	0.5
145.02823	0.5
145.04964	2.7
145.06479	0.9
145.10094	3.3
147.04405	0.8
147.08025	4.8
147.11665	23.4
148.11980	0.4
149.08403	0.6
149.09589	10.6
151.03931	0.4
151.07455	0.6
151.11195	1.1
153.05489	0.5
155.08583	0.5
157.10106	24.2
158.10501	0.6
161.05911	0.5
161.09697	0.5
163.05989	3.0
163.11169	1.5
165.12743	5.1
167.07028	1.5
173.09590	0.4
175.11156	24.9
177.05440	0.7
181.04880	0.5
185.09515	0.5
189.11214	0.4
193.12221	69.1
194.12564	1.8
207.06567	0.7
211.13258	96.7
211.70978	0.4
212.13535	2.4
238.58539	0.4
249.14883	1.3
267.15878	48.6
268.16293	1.2
273.14880	0.9
285.16925	88.1
286.17282	2.7
349.21475	0.8
367.22580	3.8
385.23624	5.9
403.24780	1.6
405.23837	0.5
429.20758	0.4
433.25699	2.4
441.26346	2.0
459.27359	33.5
460.27563	0.9
477.28442	35.6
478.28479	1.4
495.29474	97.5
496.29773	4.4
515.64502	0.4
519.29871	0.5
621.32379	0.7
639.33472	1.6
675.57483	0.4
707.58875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	4.5
65.03924	6.7
66.09606	2.4
67.05499	95.4
69.03419	13.8
69.06728	4.4
69.07065	50.6
70.17531	11.1
71.04984	7.2
74.22532	2.1
77.03961	2.2
79.05486	89.5
81.03407	16.8
81.07047	95.8
83.04970	18.3
83.08619	21.4
85.02904	9.6
85.06544	5.1
86.09669	3.1
91.05473	100.0
93.07036	93.7
95.04941	21.7
95.08597	56.7
97.02888	8.5
97.06526	21.6
97.10142	11.5
99.08054	3.3
103.05460	4.7
103.96966	2.3
105.04477	4.0
105.07021	76.5
107.04953	13.5
107.08582	48.9
109.06506	11.1
109.10150	30.8
111.08076	9.2
113.09627	3.9
115.05418	5.4
117.07017	35.5
119.08579	64.4
121.06506	7.2
121.10123	29.0
123.08040	10.5
123.11720	8.1
125.09644	8.1
128.06215	4.4
129.05452	3.7
129.06993	22.3
129.88942	2.5
131.08565	36.7
133.06485	3.2
133.10123	54.3
135.08058	12.0
135.11681	21.9
137.05983	3.2
137.09538	6.1
139.11172	4.0
141.06953	6.3
142.07756	3.6
143.08548	19.2
145.10129	36.4
147.08025	3.3
147.11670	29.5
149.09607	15.0
149.13264	14.4
151.11174	2.7
154.07805	2.8
155.08525	7.3
156.09435	2.8
157.10066	15.7
159.11668	24.1
161.06033	2.9
161.09573	3.3
161.13266	15.9
163.07591	2.9
163.11147	10.1
165.09074	2.9
167.08559	5.9
169.10117	10.7
171.11647	18.0
173.04391	3.0
173.11804	4.0
173.13263	10.0
175.11220	5.4
175.14824	4.4
177.12743	5.3
179.14217	5.4
181.10019	4.2
183.11659	11.4
184.07336	8.5
185.13277	12.1
187.14798	6.6
189.11188	5.3
189.12743	4.0
195.11710	4.9
195.13835	7.0
197.13309	6.3
199.14790	9.4
201.12650	3.3
201.16403	4.2
203.14200	3.0
207.11617	3.6
207.13586	2.5
209.13298	4.2
209.97243	2.8
211.14876	6.1
213.16402	5.3
215.14246	2.8
221.13190	3.0
223.14914	4.3
227.12698	4.0
229.14330	4.8
239.17972	4.3
241.19460	8.0
255.15791	5.9
257.18976	9.3
259.20511	19.5
267.15753	2.4
269.17340	15.8
275.20020	32.3
295.20792	2.8
311.19812	2.4
315.23221	5.4
321.24356	2.7
330.18768	2.8
333.24249	20.3
335.25958	4.1
349.23718	18.0
385.15039	2.5
412.96085	2.7
435.32468	2.7
463.30707	2.7
513.35706	18.2
527.37323	13.6
543.36444	7.7
607.43878	13.3
625.44360	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	856.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	10.3
67.05493	87.0
69.03407	14.3
69.07055	35.4
71.04996	6.5
71.52617	7.8
71.52971	5.3
79.05484	83.1
81.03400	13.4
81.06593	6.2
81.07044	100.0
83.04961	16.1
83.08588	11.5
85.02878	8.2
85.06537	5.7
91.03918	6.4
91.05474	82.7
93.06487	6.2
93.07030	78.9
94.96537	3.9
95.04967	21.0
95.08598	66.4
97.02871	9.8
97.06506	17.2
97.10132	7.6
99.04420	6.6
99.08074	7.2
103.05466	5.5
105.07015	72.3
107.04929	9.1
107.08580	50.7
109.06485	9.8
109.10139	21.0
111.08069	11.0
115.05444	6.6
117.06988	43.0
119.08581	58.8
121.06495	4.7
121.10146	32.4
123.08040	8.3
123.11680	6.8
127.03883	8.6
129.05452	6.0
129.07002	19.0
131.08562	40.9
133.10114	44.3
135.08055	8.4
135.11661	22.7
137.09634	5.7
141.06981	4.4
143.08531	12.3
145.10095	38.1
147.11659	35.3
149.09546	10.2
149.13229	18.1
151.07506	4.2
151.11177	5.1
154.18567	4.0
155.08521	13.4
157.10065	20.4
159.11676	32.7
161.13213	15.5
163.11150	8.4
169.10085	7.3
171.11674	18.1
173.13260	14.0
175.11113	6.6
175.14917	5.8
179.14308	5.0
181.10136	5.4
183.11571	8.5
185.13309	8.0
197.13162	6.2
199.14761	8.1
207.13817	4.2
211.14790	6.2
215.18094	4.6
223.14806	5.3
227.48230	5.0
235.14819	6.3
241.19623	7.9
257.18878	5.3
259.20630	26.2
261.22079	4.7
269.17493	16.7
275.19922	12.6
297.22171	5.0
315.23270	5.7
333.24207	18.2
335.25888	7.9
349.23590	5.1
479.32465	4.8
527.37335	22.5
609.44556	18.7
625.44525	6.2
754.06488	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	856.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69985	1.1
61.02920	2.6
65.03922	4.2
65.69541	1.0
67.05499	100.0
68.05837	1.5
69.03419	3.1
69.07056	16.1
70.72065	3.5
71.04974	4.9
73.02899	4.0
77.03943	1.1
79.05487	41.9
81.03415	8.7
81.07048	67.6
82.19366	1.1
83.04974	8.1
83.08610	16.3
85.02888	10.6
85.06510	5.2
87.04446	4.4
91.05476	28.1
92.81261	1.3
93.07034	45.5
93.07630	2.3
95.04973	9.9
95.08599	43.5
97.02866	3.8
97.06510	4.0
97.10163	14.6
99.08060	1.8
103.03952	1.7
105.07033	15.9
107.04942	2.9
107.08585	28.2
109.06496	2.9
109.10147	59.9
111.04414	1.6
111.08041	4.1
117.07019	7.0
119.08563	15.7
121.06469	1.3
121.09315	1.8
121.10137	24.2
123.08039	2.5
123.11691	4.9
125.09611	14.0
126.53622	1.3
127.03889	1.1
129.05380	1.5
129.07027	1.6
131.08569	10.5
133.10121	8.9
135.08102	1.1
135.11684	16.0
137.09576	4.3
143.10635	3.2
145.06540	1.0
145.10114	9.8
147.11655	7.6
149.09557	2.5
149.13240	7.4
152.29933	1.3
153.12685	3.6
155.08563	1.4
155.10579	1.4
159.11711	6.3
161.13213	4.6
163.11166	8.9
163.14815	4.7
165.12730	1.6
173.09566	1.3
173.11719	17.5
173.13258	5.0
175.11087	1.2
175.14809	2.2
181.12318	1.5
187.14801	2.9
189.11217	2.2
191.10678	1.9
193.12222	2.8
199.13286	7.7
209.11723	6.2
227.12665	6.3
229.14337	44.1
230.14735	1.3
243.21085	3.9
257.13956	2.0
259.20599	1.3
261.22131	14.8
267.15897	4.7
283.15546	1.7
301.16422	15.5
317.24841	2.3
327.23325	1.5
335.25757	91.8
336.26129	2.3
399.23767	12.2
477.35559	6.4
489.35773	23.9
543.36713	2.1
561.37927	6.4
579.38953	3.8
618.98816	1.2
659.45148	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75716	1.4
61.02908	2.6
62.97784	1.5
63.45213	1.4
65.03918	6.6
67.05498	89.9
69.03419	10.5
69.07061	51.0
71.04991	8.6
71.52903	1.9
71.53255	2.2
71.88158	1.5
77.03906	2.0
79.05484	75.3
81.03404	16.1
81.07043	100.0
83.04977	16.0
83.08614	19.5
85.02875	7.2
85.06516	5.8
86.09680	2.4
91.04893	2.7
91.05469	67.6
93.07031	71.3
95.04958	17.3
95.08596	47.7
97.02863	5.7
97.06506	20.0
97.10159	11.6
99.04430	2.0
99.08069	4.5
103.05463	2.7
105.07014	58.2
107.04939	14.4
107.08577	51.1
109.02872	1.9
109.06488	8.9
109.10136	18.0
111.04401	2.7
111.08098	8.0
113.05996	1.6
113.09616	2.8
115.05417	2.7
117.07006	26.9
119.08562	38.5
121.02728	1.5
121.06490	6.2
121.10126	22.5
123.04412	2.7
123.08054	8.6
123.11686	8.0
125.09615	9.7
127.03899	3.9
128.06194	3.2
129.05467	3.5
129.06984	14.3
131.04889	1.7
131.08546	31.0
133.06479	3.5
133.10129	29.7
135.08035	9.4
135.11676	20.8
137.09586	7.2
141.06999	3.7
142.07765	2.0
143.08545	10.3
145.06458	3.9
145.10110	28.1
147.08070	4.0
147.11681	18.0
149.09598	17.1
149.13229	13.7
151.11153	5.3
155.08562	7.0
157.10103	7.3
159.11646	19.2
161.09468	3.4
161.13181	7.3
163.11118	11.5
167.07198	1.6
167.08617	1.8
169.10094	7.7
171.11699	8.0
173.04420	3.9
173.09564	1.6
173.11859	2.4
173.13188	9.4
175.11182	3.2
177.12714	8.7
179.14259	7.5
181.10130	3.4
183.11703	6.8
184.07288	9.2
185.13251	3.5
187.11203	2.4
187.14758	3.3
189.11174	6.7
189.12708	2.6
193.04948	2.2
193.10033	2.1
195.11890	2.9
195.13770	8.5
197.13199	5.3
199.14815	3.7
201.12779	2.1
211.14706	1.8
227.12720	11.2
229.14122	2.7
229.19388	5.1
235.17078	2.0
239.17891	6.0
247.20634	2.5
255.15894	16.5
257.18918	14.7
259.20642	1.8
267.15857	3.9
269.17432	41.6
275.20016	57.4
291.19446	2.4
293.20990	6.5
301.17822	2.1
313.46463	1.7
331.22586	4.8
349.23688	45.8
352.24265	1.6
367.24741	5.8
415.29755	2.1
433.30386	3.5
435.27502	2.0
445.29446	3.9
449.29001	27.5
451.32217	2.0
463.30527	23.0
469.32968	2.5
511.34366	2.3
515.36859	2.2
525.35706	8.0
529.35266	10.7
543.36731	40.8
544.36664	2.2
561.37408	4.9
607.34265	2.4
623.42303	6.7
641.43622	4.8
857.45825	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	856.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75716	1.4
61.02908	2.6
62.97784	1.5
63.45213	1.4
65.03918	6.6
67.05498	89.9
69.03419	10.5
69.07061	51.0
71.04991	8.6
71.52903	1.9
71.53255	2.2
71.88158	1.5
77.03906	2.0
79.05484	75.3
81.03404	16.1
81.07043	100.0
83.04977	16.0
83.08614	19.5
85.02875	7.2
85.06516	5.8
86.09680	2.4
91.04893	2.7
91.05469	67.6
93.07031	71.3
95.04958	17.3
95.08596	47.7
97.02863	5.7
97.06506	20.0
97.10159	11.6
99.04430	2.0
99.08069	4.5
103.05463	2.7
105.07014	58.2
107.04939	14.4
107.08577	51.1
109.02872	1.9
109.06488	8.9
109.10136	18.0
111.04401	2.7
111.08098	8.0
113.05996	1.6
113.09616	2.8
115.05417	2.7
117.07006	26.9
119.08562	38.5
121.02728	1.5
121.06490	6.2
121.10126	22.5
123.04412	2.7
123.08054	8.6
123.11686	8.0
125.09615	9.7
127.03899	3.9
128.06194	3.2
129.05467	3.5
129.06984	14.3
131.04889	1.7
131.08546	31.0
133.06479	3.5
133.10129	29.7
135.08035	9.4
135.11676	20.8
137.09586	7.2
141.06999	3.7
142.07765	2.0
143.08545	10.3
145.06458	3.9
145.10110	28.1
147.08070	4.0
147.11681	18.0
149.09598	17.1
149.13229	13.7
151.11153	5.3
155.08562	7.0
157.10103	7.3
159.11646	19.2
161.09468	3.4
161.13181	7.3
163.11118	11.5
167.07198	1.6
167.08617	1.8
169.10094	7.7
171.11699	8.0
173.04420	3.9
173.09564	1.6
173.11859	2.4
173.13188	9.4
175.11182	3.2
177.12714	8.7
179.14259	7.5
181.10130	3.4
183.11703	6.8
184.07288	9.2
185.13251	3.5
187.11203	2.4
187.14758	3.3
189.11174	6.7
189.12708	2.6
193.04948	2.2
193.10033	2.1
195.11890	2.9
195.13770	8.5
197.13199	5.3
199.14815	3.7
201.12779	2.1
211.14706	1.8
227.12720	11.2
229.14122	2.7
229.19388	5.1
235.17078	2.0
239.17891	6.0
247.20634	2.5
255.15894	16.5
257.18918	14.7
259.20642	1.8
267.15857	3.9
269.17432	41.6
275.20016	57.4
291.19446	2.4
293.20990	6.5
301.17822	2.1
313.46463	1.7
331.22586	4.8
349.23688	45.8
352.24265	1.6
367.24741	5.8
415.29755	2.1
433.30386	3.5
435.27502	2.0
445.29446	3.9
449.29001	27.5
451.32217	2.0
463.30527	23.0
469.32968	2.5
511.34366	2.3
515.36859	2.2
525.35706	8.0
529.35266	10.7
543.36731	40.8
544.36664	2.2
561.37408	4.9
607.34265	2.4
623.42303	6.7
641.43622	4.8
857.45825	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	865.196
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	0.5
68.99779	2.4
69.70333	0.2
71.06469	0.3
71.06790	0.4
73.09409	0.2
81.03381	0.3
85.02877	0.2
89.03896	0.3
91.05449	0.4
93.03367	0.3
93.81916	0.2
95.04948	0.6
103.48683	0.2
105.03356	0.5
107.04929	0.8
109.02866	0.5
111.00782	1.0
111.04419	1.0
115.05447	0.4
119.04930	0.7
121.02814	0.7
123.04410	12.4
127.03896	6.0
129.06972	0.3
131.04901	0.6
135.04384	5.7
137.02327	9.3
137.03372	0.5
139.03879	8.8
143.04900	0.5
145.06514	0.4
147.04381	3.2
147.79568	0.2
149.02303	4.2
149.05913	0.6
150.03102	0.3
151.03900	2.0
153.01820	3.2
153.06950	0.3
155.03374	1.2
155.04758	0.4
157.06480	0.7
159.04393	0.6
161.02237	0.3
161.05956	1.2
163.03885	8.8
165.01772	0.4
165.05443	0.6
167.03365	0.5
167.04803	0.3
169.06464	0.4
171.04369	0.7
173.05960	0.8
175.03864	2.0
175.07433	0.3
177.01801	0.3
177.05449	1.0
179.03386	1.0
181.06453	0.5
183.04353	0.3
185.05933	2.2
187.03864	1.6
189.05464	1.2
191.03377	1.6
193.04945	1.3
197.05942	1.2
199.03867	0.8
201.05438	1.5
203.03369	5.0
203.07028	0.9
205.05000	0.6
207.02904	0.4
207.06476	0.9
209.06047	0.3
212.46042	0.2
213.05437	3.1
215.03415	0.9
217.04942	1.3
221.04381	0.6
225.05409	0.5
227.03377	1.0
227.06989	0.6
229.04938	3.7
231.06477	4.5
233.04372	1.2
235.02217	0.4
237.05440	0.6
241.04968	2.1
243.06364	0.5
245.04416	5.3
247.05983	8.7
248.06268	0.4
253.04930	0.7
255.06519	1.3
257.04410	17.1
258.05118	1.5
259.05975	8.9
261.07587	0.4
265.04883	0.4
267.06522	0.3
269.04428	3.7
270.05087	0.3
271.05960	4.1
272.06863	0.2
273.03619	0.2
273.07602	1.1
275.05338	1.6
279.06509	0.3
281.04370	0.9
281.07394	0.2
283.05988	4.6
284.06540	0.2
285.03885	1.3
285.07291	0.4
286.04654	0.5
287.05453	100.0
288.05817	3.4
289.06937	2.9
293.04532	0.3
295.05969	0.6
297.03946	0.4
297.07349	0.3
299.05463	2.2
301.06998	5.8
301.10187	0.4
303.05362	0.2
303.08603	0.7
307.06247	0.3
309.04092	0.4
311.05539	1.3
315.05099	0.4
317.06598	0.3
323.05350	0.4
327.04788	0.5
333.07501	0.4
335.05527	0.5
337.03229	0.3
337.07028	0.3
345.07495	0.4
349.07178	0.5
351.04993	0.5
361.07214	0.7
365.06577	0.6
373.07074	0.6
377.06540	1.0
379.07977	0.8
389.06714	1.3
391.07977	1.0
393.06033	0.6
395.07535	2.2
401.06461	0.3
403.08316	0.5
405.05975	0.6
407.07526	2.7
409.09125	10.8
411.10745	5.0
413.08676	4.4
417.05902	0.8
419.07526	0.9
421.09506	0.4
425.08447	1.1
427.10397	1.1
431.07779	1.8
435.06836	0.9
435.11667	0.4
437.08658	0.8
447.07047	1.3
449.08578	2.3
453.11996	0.5
455.09534	0.3
515.10199	0.4
525.08258	0.8
533.10736	14.6
534.10931	0.8
539.09143	0.5
541.10980	0.4
543.09137	6.4
544.09949	0.3
545.10736	0.4
555.08881	0.4
557.10559	1.8
561.10223	1.7
569.10474	1.3
573.10242	2.5
575.11584	1.0
587.11780	0.4
603.11371	0.3
663.56744	0.3
677.12720	0.8
695.13861	10.3
696.14014	0.9
713.14874	6.3
714.15350	0.5
725.14191	0.3
853.96729	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.2
67.01851	0.3
67.05469	0.3
68.43431	0.2
68.99783	2.8
69.54581	1.5
72.65832	0.2
77.03932	0.2
79.05482	0.3
81.03400	0.6
83.36790	0.2
89.03885	0.3
91.05441	0.3
93.03368	0.5
95.04961	0.3
95.48975	0.2
97.02895	0.2
99.08891	0.2
103.05458	0.3
105.03388	0.4
107.04966	1.0
109.02788	0.4
111.00800	1.4
111.04414	0.8
115.05426	0.6
118.54616	0.2
119.04920	0.7
121.02858	1.3
123.04420	11.0
127.03907	4.8
129.07048	0.3
131.04907	0.7
135.04396	4.8
137.02330	10.9
137.03384	0.6
139.03891	7.9
139.05463	0.3
141.01831	0.3
141.06985	0.4
142.15529	0.2
143.04897	0.8
145.06473	0.6
147.04385	3.1
149.02330	4.8
149.05951	0.6
150.03096	0.2
151.03894	1.7
153.01807	2.7
153.07019	0.3
155.03377	1.1
155.04817	0.5
157.06461	0.9
159.04388	0.6
161.02286	0.3
161.05945	1.5
163.03886	7.5
165.01775	0.4
165.05467	1.1
167.03371	0.7
167.04823	0.3
169.06433	0.5
171.04379	0.8
173.05972	1.3
175.03893	2.8
175.07654	0.3
177.05490	1.3
179.03403	1.2
180.04941	0.2
181.06454	0.5
183.04417	0.4
185.05957	2.2
187.03893	1.7
189.01851	0.2
189.05463	1.7
189.72890	0.2
191.03337	2.0
191.06993	0.2
193.04961	1.1
197.06012	1.1
197.07503	0.2
199.03838	1.0
199.07306	0.2
200.04512	0.3
201.05481	1.6
203.03371	5.3
203.07028	0.5
204.03781	0.3
205.04990	0.8
207.02873	0.3
207.06485	0.5
209.05998	0.4
211.03882	0.3
213.05447	4.0
214.05678	0.2
215.03419	0.7
215.06979	0.4
217.04938	1.3
217.64185	0.2
218.05728	0.3
221.04391	0.5
223.03867	0.3
225.05478	0.7
227.03406	1.1
227.06950	0.4
229.04901	3.3
230.05542	0.3
231.02901	0.3
231.06496	4.6
233.04390	1.0
235.02457	0.2
237.05428	1.0
241.04915	2.8
242.05705	0.3
243.02757	0.3
243.06483	0.3
245.04408	4.2
247.05989	7.5
247.08452	0.4
248.06355	0.2
251.03069	0.2
253.04936	0.7
255.06371	1.2
257.04428	16.4
258.05170	1.9
259.05988	9.2
260.06451	0.3
261.07446	0.3
263.07114	0.3
265.05035	0.5
266.05569	0.3
269.04379	3.5
271.05902	3.7
273.07556	1.0
275.05368	1.4
281.04501	1.0
281.07452	0.2
283.05969	4.2
285.03854	1.1
285.07309	0.4
286.04520	0.4
287.05469	100.0
288.05743	3.0
289.07022	2.6
293.04480	0.4
295.05984	0.6
297.03867	0.6
297.07285	0.2
299.05502	1.8
301.07047	5.3
303.08591	0.6
305.04623	0.2
307.06000	0.6
309.07397	0.3
311.05490	1.2
313.07144	0.3
315.05078	0.3
319.05975	0.4
321.07632	0.2
323.05621	0.3
327.04962	0.4
329.08322	0.2
333.07498	0.4
337.07086	0.3
345.07654	0.5
348.06271	0.2
349.06842	0.4
351.04953	0.3
361.07016	0.8
363.08707	0.4
365.06583	0.3
367.07996	0.2
373.06967	0.8
375.04846	0.3
375.08881	0.3
377.06412	0.8
379.08121	0.6
381.09567	0.3
389.06613	1.2
390.07056	0.3
391.08105	1.3
393.05966	0.9
395.07578	1.6
399.04654	0.2
401.06406	0.5
403.08182	0.4
405.05759	0.4
407.07645	1.9
409.09143	8.7
410.09451	0.5
411.10760	4.4
413.08707	3.6
417.05991	0.9
419.07568	1.0
425.08127	0.4
427.10187	1.2
429.05911	0.4
431.07523	1.5
435.06638	0.6
437.08408	0.5
447.07260	1.0
449.08545	1.3
453.11649	0.5
455.09647	0.3
515.09705	0.3
525.08063	0.7
529.10999	0.5
533.10730	14.2
534.10852	0.9
543.09198	6.2
544.09302	0.3
545.10559	0.2
555.08893	0.4
557.10559	0.9
561.10217	1.6
569.10614	1.2
573.10266	2.4
575.11548	0.7
585.09857	0.3
587.11780	0.3
677.12488	1.1
695.13904	10.1
696.13788	0.9
713.15027	5.1
714.15057	0.4
725.14874	0.2
832.42639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49414	0.2
65.03938	0.4
68.99786	2.5
70.30374	0.7
77.03883	0.2
79.05465	0.4
81.03409	0.6
85.02885	0.3
91.05473	0.5
93.03423	0.3
95.04948	0.3
98.97563	0.4
105.03378	0.3
107.04942	0.7
107.85810	0.2
109.02865	0.8
111.00790	1.2
111.04409	1.1
115.05418	0.6
119.04922	0.8
121.02851	0.9
123.04411	11.3
127.03902	5.8
131.04892	0.5
135.04399	5.3
135.05409	0.3
137.01247	0.3
137.02333	10.8
137.03395	0.9
139.03886	11.8
140.04260	0.3
141.07011	0.4
143.04900	0.5
145.02753	0.2
145.06436	0.5
147.04388	3.7
149.02325	4.2
149.05956	0.3
151.03909	2.3
153.01807	3.0
153.06998	0.5
155.03371	1.1
155.04787	0.4
157.06471	0.7
159.04417	0.4
161.02338	0.3
161.05959	1.5
163.03885	7.8
165.01805	0.5
165.05446	1.0
167.03360	0.9
169.06493	0.4
171.04385	0.7
173.05977	1.0
175.03889	2.6
177.01758	0.4
177.05455	1.4
179.03362	1.4
181.06500	0.3
183.04353	0.4
185.05908	2.1
187.03835	1.9
189.01886	0.3
189.05446	1.4
191.03358	1.9
193.04977	0.9
197.05978	0.8
199.03882	1.1
199.07414	0.4
200.04575	0.4
201.05434	2.4
203.03352	4.5
203.07010	0.8
203.90329	0.2
205.04938	0.4
207.02728	0.4
207.06442	0.5
213.05463	3.1
215.03395	0.8
215.06912	0.5
217.04980	1.2
221.04420	0.5
225.05478	0.5
227.03348	0.7
227.07005	0.4
229.04901	3.8
231.03053	0.3
231.06473	4.6
231.08574	0.4
233.04448	0.8
237.05566	0.6
241.04938	2.0
242.05672	0.3
243.06506	0.9
245.04417	5.5
247.05997	10.1
249.05244	0.3
253.04970	0.6
255.06573	1.3
257.04419	19.0
258.04996	1.5
259.05991	10.1
259.08743	0.5
260.06213	0.3
261.07645	0.3
265.04984	0.8
267.06461	0.5
269.04422	3.7
270.05014	0.3
271.05972	4.2
273.07553	1.2
275.05405	1.5
279.06461	0.4
281.04364	1.0
283.06003	4.9
285.03854	1.1
287.05463	100.0
288.05792	3.4
289.06992	2.5
295.06036	0.5
297.03986	0.6
297.07208	0.4
299.05316	1.7
301.06982	5.9
303.08658	0.7
305.07944	0.3
307.06131	0.4
309.04022	0.4
309.07501	0.3
311.05328	1.3
313.07202	0.3
315.04962	0.5
319.06018	0.4
323.05615	0.7
325.07080	0.3
327.05054	0.4
329.07248	0.2
333.07407	0.3
335.05029	0.3
337.07114	0.3
347.05136	0.4
349.07111	0.6
351.04947	0.5
357.07492	0.3
361.07053	0.8
365.06204	0.6
367.08209	0.3
373.07089	0.8
377.06577	1.2
379.08011	0.8
389.06567	1.3
391.08130	1.4
393.05865	1.1
395.07507	1.5
403.08264	0.5
407.07507	2.2
409.09134	10.7
410.09558	0.4
411.10809	4.4
412.11234	0.3
413.08664	4.4
417.06036	0.9
419.07614	1.1
421.09213	0.5
425.08710	0.9
427.10291	1.5
431.07523	1.6
435.06540	0.5
437.08691	0.8
447.07156	1.4
449.08530	1.7
453.11835	0.3
455.08926	0.4
497.08539	0.3
515.09857	0.5
525.08429	0.7
529.11017	0.3
533.10754	15.5
534.11151	0.9
539.10315	0.4
541.09271	0.5
543.09039	7.4
544.09564	0.4
545.11041	0.4
555.09460	0.6
557.11017	1.6
561.09979	1.5
569.10614	1.6
573.10175	2.2
575.11407	1.1
587.11444	0.4
677.12579	0.9
695.13831	10.9
696.14484	0.6
713.14923	6.1
714.14880	0.4
725.14233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.8
68.99779	10.9
71.18833	1.5
79.05480	1.2
81.03407	4.4
83.04951	1.4
85.02887	1.2
89.03905	3.2
91.05489	1.5
93.03381	2.7
95.04951	2.8
99.04423	1.7
103.05425	1.2
105.03360	1.7
107.04937	6.5
109.02823	3.4
111.00797	8.3
111.04433	8.0
115.05399	1.0
117.03358	1.9
119.04919	2.4
121.02863	2.4
123.04414	68.2
124.04669	1.0
127.03899	100.0
128.04224	1.1
131.04924	3.7
135.04396	64.4
137.02350	5.9
137.05922	1.4
139.03880	52.1
141.06912	1.7
143.04890	1.1
145.02768	0.9
145.06488	1.0
147.04367	8.1
149.02319	9.2
149.06000	2.2
150.03111	0.8
151.03877	16.2
153.01811	1.5
155.04922	1.9
157.06454	1.7
159.04395	4.3
161.02316	1.0
161.05943	5.3
163.03882	64.1
164.04286	1.4
165.01802	1.2
165.05464	5.7
167.03404	5.3
169.04968	3.6
169.06508	2.6
171.04459	0.9
173.05977	5.3
175.03912	4.8
177.05438	8.2
179.03381	11.7
179.06990	0.8
181.04890	1.8
181.06442	1.3
183.04347	2.5
185.05945	1.6
187.03825	9.4
187.07545	1.0
189.05437	3.9
191.03354	11.2
193.04997	2.3
197.05942	5.9
199.03807	1.0
200.04633	0.9
201.05461	9.3
203.03365	14.9
203.07063	3.7
205.04962	3.3
207.06427	0.8
207.41902	0.7
209.06024	1.0
213.05403	3.8
215.03397	3.5
215.07001	2.9
216.03981	0.8
217.04977	2.8
219.06458	1.4
223.02367	2.3
225.05412	3.1
227.03459	1.0
227.07048	1.2
229.04938	12.7
231.02893	1.5
231.06432	3.7
233.04375	5.1
237.05431	1.9
241.04829	3.6
242.05511	0.7
243.02882	1.6
243.06483	5.6
244.03705	0.9
245.04424	74.1
246.04732	1.7
247.05991	55.4
248.06285	1.9
253.04932	2.8
255.06461	4.9
257.04413	18.8
258.05017	2.8
259.05939	11.9
261.07602	2.9
263.05447	1.7
265.05038	2.2
267.06445	1.1
269.04529	5.1
270.05203	1.2
271.03040	1.6
271.05978	29.2
272.06317	1.6
273.07492	1.5
274.04709	2.8
275.05420	24.9
279.06564	0.7
281.04556	2.4
283.05957	15.6
284.06494	0.9
285.03885	3.2
285.07236	1.4
286.04614	1.1
287.05429	32.9
288.05768	5.7
289.07019	30.7
290.07254	1.3
291.08618	14.7
295.05908	3.0
297.03806	2.6
297.07446	1.0
299.05392	7.4
301.06964	11.3
303.05075	1.0
303.08539	1.9
307.05865	1.5
309.03842	2.5
309.07242	1.5
311.05438	3.0
313.07013	3.3
315.05179	1.0
323.05420	3.2
331.07947	1.8
333.07205	1.0
341.06277	0.8
351.04971	3.1
361.06995	3.0
363.08646	1.7
365.06607	2.1
377.06427	1.5
379.07852	4.1
383.07623	3.0
389.06525	2.8
391.08038	2.9
393.05820	5.1
395.07748	1.9
397.09134	6.4
405.05768	4.2
407.07544	25.4
408.08176	1.0
409.09152	26.0
410.09528	1.3
411.10486	5.2
417.05719	0.9
419.07581	5.2
421.09225	2.2
425.08530	8.3
427.10141	11.5
431.07574	1.6
433.09155	2.9
437.08661	9.0
439.10510	1.5
449.08496	2.8
451.10071	5.2
453.11572	1.0
517.11273	2.5
527.09589	3.0
535.11737	2.1
541.10919	1.9
545.10687	7.5
553.11560	1.1
557.10101	1.0
559.12366	1.0
571.12036	2.0
577.12817	1.3
579.15039	4.0
589.13660	1.7
679.14191	1.5
697.15576	4.1
715.16003	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	867.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88118	0.6
65.03944	2.9
67.01859	0.7
67.05489	0.8
68.99786	7.7
70.69825	1.0
70.70164	0.9
77.03912	1.1
79.05470	1.2
81.03413	4.6
83.04966	0.7
85.02901	0.8
88.10235	0.8
89.03903	2.0
91.05480	1.8
93.03403	1.1
95.04951	1.7
97.02875	0.9
99.04457	0.8
103.05442	0.7
105.03358	1.4
107.04940	4.9
109.02888	3.6
111.00810	5.9
111.04425	7.1
115.05437	1.0
117.03396	1.4
117.06913	0.6
119.04931	2.0
121.02835	1.9
122.12160	0.6
123.04418	52.9
124.04704	0.8
127.03906	100.0
128.04257	0.8
129.07004	0.8
131.04898	3.5
135.04404	49.3
136.04784	0.7
137.02332	6.4
137.05969	0.9
139.03888	44.1
141.07051	0.7
143.04927	1.7
145.02827	1.3
145.06468	0.9
147.04395	7.8
149.02321	6.7
149.05971	2.4
151.03896	12.8
153.01851	0.9
153.06979	1.1
155.04913	2.5
157.06468	1.0
159.04396	4.5
161.02357	2.0
161.05934	3.9
163.03888	52.3
165.05481	3.6
167.03433	6.3
167.04803	1.1
169.04977	1.7
169.06468	2.5
173.05977	5.5
175.03893	3.4
177.05449	6.7
179.03384	10.0
181.04951	1.1
183.04396	2.3
185.06004	2.5
187.03839	7.5
187.07503	1.0
189.01810	1.2
189.05434	3.4
191.03345	9.5
191.06935	0.7
193.04959	2.4
195.17851	0.6
197.05986	4.9
201.03719	1.1
201.05452	9.2
203.03378	13.5
203.07039	2.5
205.04967	2.9
207.02818	0.8
207.06473	1.1
211.03862	0.8
213.05458	3.4
215.03346	2.9
215.06923	3.3
217.04964	2.4
219.06609	1.2
223.02333	1.4
225.05463	2.6
227.07054	1.0
229.04941	11.3
231.02771	0.9
231.06525	2.2
233.04459	3.9
237.05487	1.5
241.04837	3.0
243.06519	6.0
245.01831	1.0
245.04439	33.9
247.06004	45.2
248.06335	1.0
253.04890	3.5
255.06479	3.0
257.04419	14.3
258.05243	2.1
259.06003	12.3
261.07602	1.9
263.05450	0.9
265.04926	1.1
267.06573	0.9
269.04382	5.8
271.05991	21.7
273.07526	1.7
274.04773	1.4
275.05490	11.9
277.04962	0.8
281.04379	3.2
283.05988	9.4
285.03854	1.8
285.07397	1.4
287.05460	16.4
288.05786	1.4
289.07056	25.9
291.08630	14.7
295.05969	3.4
297.04022	2.9
297.07181	0.8
299.05453	5.8
301.07050	15.4
303.08609	2.4
307.05966	2.1
309.03967	3.8
311.05573	2.0
313.07007	1.4
323.05573	3.2
331.08093	1.3
337.06906	0.8
339.04681	0.8
339.08658	0.7
341.06628	0.9
349.06940	1.1
351.04953	5.2
361.07486	0.8
363.08679	1.1
365.06488	3.5
367.08334	0.8
377.06635	2.3
379.08246	3.1
383.07571	8.6
389.06461	2.0
391.08176	2.2
393.05945	6.0
395.07669	4.5
397.09143	2.4
405.06067	3.1
407.07608	11.9
409.09164	23.5
411.10519	3.2
419.07620	2.7
421.09070	2.8
425.08600	6.4
427.10211	13.6
433.09103	1.7
435.11075	1.1
437.08618	4.7
439.10226	2.6
449.08456	1.1
451.10458	2.9
453.11755	2.0
517.11395	5.5
527.09705	3.4
535.12164	2.0
541.10773	0.8
545.10846	8.3
559.12738	0.8
571.12268	1.7
577.13666	0.8
579.15070	3.7
589.12994	0.9
679.14221	2.3
697.15308	4.4
715.16498	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.3
67.01841	0.7
67.05498	1.5
68.99434	1.2
68.99779	11.5
70.80967	1.3
72.93484	0.6
77.03942	0.8
77.37349	0.6
79.05476	0.9
81.03398	3.9
83.04960	0.7
85.02876	1.4
89.03902	2.5
91.05464	1.5
93.03403	2.4
95.04962	2.5
98.20824	0.7
99.04414	1.2
103.05446	1.3
105.03365	1.4
107.04954	6.5
109.02879	4.8
111.00798	7.3
111.04430	10.8
115.05442	1.3
117.03402	1.6
119.04919	1.7
121.02837	2.4
123.04410	77.6
124.04749	2.7
127.03899	100.0
128.04242	1.3
129.06989	1.0
131.04907	3.0
133.06508	0.7
135.04393	68.4
136.04724	1.9
137.02313	9.3
137.04947	0.7
137.05962	1.0
138.02655	1.8
139.03882	53.2
140.04230	1.5
141.06976	1.0
143.04932	1.4
145.02829	1.1
145.06456	2.1
147.04390	10.4
148.04773	0.9
149.02347	9.9
149.05963	3.3
150.02867	0.9
151.03879	18.7
153.01814	2.6
155.04868	1.5
157.06473	2.0
159.04417	5.2
161.02361	1.1
161.05937	5.1
163.03885	59.2
164.04213	2.1
165.05460	5.7
167.03366	6.4
169.04996	1.6
169.06482	2.7
171.04501	0.9
173.05965	5.5
175.03876	4.6
176.04143	0.9
177.05492	7.5
179.03381	10.6
179.07040	1.0
181.05020	1.6
181.06509	1.7
183.04411	2.7
185.05916	3.1
187.03833	8.4
187.07501	1.2
189.05408	3.1
191.03358	9.5
191.07072	1.4
193.04961	2.9
197.05928	5.6
199.03922	1.5
201.05444	9.5
202.05830	1.0
203.03395	13.2
203.06999	3.3
204.03740	1.3
205.04893	2.9
207.02794	0.7
207.06540	2.1
209.06033	0.8
211.03963	0.7
211.07443	0.7
213.05432	5.7
214.05824	1.0
215.03394	3.8
215.06999	4.1
216.04164	0.8
217.04962	3.6
219.06531	1.0
221.04463	1.6
223.02409	1.4
225.05457	3.4
227.03516	1.4
227.07021	0.9
229.04933	11.9
230.05377	1.8
231.02855	1.2
231.06479	5.2
233.04456	3.9
237.05466	1.3
241.04890	4.5
242.05472	1.3
243.06509	6.6
244.03708	0.8
245.04422	61.4
246.04822	2.9
247.05989	50.1
248.06335	2.2
251.05540	0.8
253.04950	2.4
255.06531	2.9
257.04416	20.6
257.07129	1.3
258.04926	5.6
259.05991	12.9
260.06412	2.2
261.07599	4.1
263.05475	1.2
265.04987	1.7
269.04370	6.8
270.04855	2.3
271.05957	27.9
272.06384	1.2
273.07510	2.3
274.04718	2.3
275.05447	18.8
279.06543	0.9
281.04337	2.0
283.05963	11.6
284.06308	1.5
285.03842	2.2
285.07455	1.7
286.04605	1.1
287.05444	57.8
288.02554	1.2
288.05783	27.9
289.06989	37.2
290.07370	1.8
291.08661	13.2
295.05975	2.7
297.03931	1.5
299.05481	6.5
301.07031	11.2
302.07300	2.3
303.05032	1.2
303.08527	2.7
307.05905	1.6
309.03946	1.8
311.05472	2.9
313.06967	2.2
323.05539	2.1
325.06818	0.8
331.08258	1.2
349.06985	0.9
351.05005	2.4
361.07098	2.7
363.08905	1.0
365.06436	1.6
373.07202	0.9
377.06696	2.1
379.07977	5.1
383.07455	3.6
389.06546	3.3
391.07990	2.5
392.08429	0.9
393.05933	3.6
395.07376	2.2
397.09177	6.2
405.05725	4.1
407.02106	1.2
407.07562	22.5
408.07733	1.7
409.09088	28.2
410.09641	3.8
411.10370	6.5
412.11182	2.0
413.11969	0.8
415.09058	1.1
417.05695	0.8
419.07434	3.9
421.09064	3.5
425.08600	10.0
427.10190	11.9
431.07819	1.1
433.09164	2.8
435.10843	2.5
437.08469	8.0
439.10129	2.3
449.08533	2.4
451.10129	3.9
453.11768	3.6
517.11365	2.5
527.09589	2.1
533.10657	2.2
534.10773	5.1
535.11584	7.1
541.10358	1.3
544.09344	1.6
545.10565	6.9
557.10443	1.3
559.11938	1.3
562.10095	0.8
563.10693	0.9
571.12213	2.1
574.10077	1.1
575.10767	1.5
577.13043	2.5
579.14893	5.6
679.14227	2.2
696.13727	2.5
697.14697	7.1
713.14581	0.8
714.14844	1.2
715.16107	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	867.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
64.83198	0.6
65.03931	2.6
67.01879	0.5
67.05495	1.3
68.99434	0.9
68.99782	7.8
69.03419	2.3
73.02928	0.8
77.03938	0.8
79.05490	1.4
81.03419	4.4
82.49271	0.6
82.60703	0.6
83.04968	1.1
85.02897	6.4
89.03906	2.4
91.05479	0.9
93.03387	1.9
95.04960	1.9
97.02881	2.3
99.04449	1.9
103.05397	1.2
105.03392	1.4
107.04949	6.2
109.02869	4.5
111.00813	7.1
111.04433	8.7
115.05422	1.8
117.03395	1.7
119.04935	1.7
121.02843	2.3
121.23009	0.6
123.04419	64.6
124.04787	1.4
127.03907	100.0
128.04211	1.2
129.07013	0.8
131.04910	4.4
135.04402	58.5
137.02324	6.7
137.05946	0.9
139.03889	53.7
140.04216	0.8
141.06927	0.9
143.01920	0.9
143.04915	1.0
145.02817	0.9
145.04973	1.5
145.06488	1.9
147.04382	9.8
149.02315	7.5
149.05966	2.1
151.03888	16.9
153.01846	0.7
153.06969	1.1
155.04935	1.5
157.06516	1.3
159.04402	4.7
161.02908	2.0
161.05954	4.9
163.03891	59.0
164.04297	1.2
165.01852	0.6
165.05479	5.0
167.03383	5.3
169.04968	2.2
169.06493	2.3
171.04524	0.9
173.02887	1.2
173.05937	5.2
175.03902	4.0
177.05486	6.9
179.03394	10.5
181.04913	1.3
181.06432	1.4
183.04570	2.3
185.03026	1.2
185.05882	1.3
187.03867	9.4
187.07585	1.0
189.05458	4.2
190.02582	0.6
191.03381	9.9
192.05487	0.6
193.04935	2.4
197.05943	5.2
199.03940	1.2
201.05447	8.7
203.03384	12.9
203.07065	2.3
205.04929	3.2
207.02849	1.1
207.06577	1.6
211.03961	0.6
213.05458	3.9
215.03459	3.6
215.06952	3.5
217.05028	2.2
219.06566	1.4
221.04430	0.7
223.02307	1.3
225.05479	2.3
227.03526	1.2
227.07004	1.3
229.04948	11.1
231.02921	1.9
231.06418	3.0
233.04388	4.0
235.02420	0.9
237.05495	1.8
241.04878	4.1
242.05632	0.7
243.02986	0.9
243.06544	4.9
245.04449	54.2
246.04967	1.3
247.06003	46.2
248.06325	1.2
251.05328	1.3
253.05040	2.9
255.06519	2.5
257.04428	18.5
258.05035	2.0
259.05991	14.5
261.07562	3.0
263.05768	2.2
264.07703	1.5
265.05060	1.4
267.06540	0.9
269.04391	6.1
271.03036	1.4
271.05975	24.8
272.06195	0.8
273.08099	10.5
273.58286	1.5
274.04730	3.1
275.05469	17.9
276.05682	0.7
279.06491	0.9
281.04391	3.2
283.05936	9.6
285.04010	1.2
285.07629	1.3
286.04672	0.7
287.05466	24.9
288.05786	5.0
289.07056	30.3
291.08646	15.9
295.05957	3.2
297.03864	2.5
297.07245	1.2
299.05429	8.0
301.07074	15.3
303.05301	0.8
303.08615	2.1
305.07578	0.7
307.06186	1.7
309.03915	3.0
311.05585	2.3
313.07013	1.8
323.05429	3.4
323.08746	0.8
329.06595	0.9
331.08276	1.0
335.05264	1.2
337.06985	0.9
341.06479	1.1
349.06989	1.7
351.04883	3.6
354.10745	7.0
354.61008	1.8
361.06979	1.8
363.08655	1.3
365.06488	2.6
373.06964	0.7
377.06409	1.8
379.08044	3.4
383.07605	5.6
389.06607	1.9
391.08099	2.7
393.05890	5.7
395.07574	3.4
397.09253	4.6
401.06339	1.0
403.07532	0.7
405.05829	4.1
407.07571	19.0
409.09137	28.5
410.09445	0.9
411.10666	3.6
419.07492	4.4
421.09106	3.5
425.08481	7.2
427.10190	15.6
428.10666	0.8
431.07687	1.1
433.09094	2.0
435.10590	1.7
437.08469	6.1
439.10074	2.2
449.08484	2.2
451.10458	4.0
453.11887	1.9
469.11148	1.4
517.11359	3.9
527.09473	2.7
529.11578	0.7
533.10986	0.6
534.11401	0.8
535.11963	3.0
541.10938	1.2
544.28894	0.6
545.10767	8.1
557.10229	1.1
559.12219	2.1
561.13757	0.8
563.11975	0.7
570.18390	0.7
571.11865	1.9
577.13074	1.3
579.15051	3.8
589.13324	0.9
653.51367	0.7
679.14282	1.7
697.15302	5.6
699.17841	0.7
715.16266	1.8
717.66504	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	16.3
65.03928	4.1
67.00381	1.1
67.05501	54.6
69.03426	13.2
69.07063	16.6
69.70228	5.1
70.04197	1.7
71.01339	2.6
71.04997	8.2
73.02904	10.5
77.03922	1.4
78.53593	1.0
79.05491	56.2
80.06271	1.3
81.03414	100.0
81.07051	51.4
82.04184	5.1
83.04974	32.8
83.08614	36.7
84.02114	1.3
85.02898	45.0
85.06516	2.7
87.04476	1.5
91.03956	10.7
91.05474	60.3
93.07040	33.3
95.04960	52.9
95.05563	2.9
95.08601	18.1
96.04490	1.3
96.05727	1.8
97.02888	19.3
97.06525	10.5
97.10153	19.7
97.48307	1.1
98.07317	6.1
99.04430	2.4
99.08064	3.2
101.06020	1.6
103.05445	1.6
105.07020	35.6
107.04945	17.7
107.08590	20.5
109.02853	2.4
109.06514	10.0
109.10155	15.5
110.07288	1.3
111.04462	5.3
111.08067	17.7
113.05978	5.0
115.05408	2.8
116.04709	11.4
117.05473	1.1
117.07056	6.3
119.04925	2.7
119.08577	33.0
121.06508	5.9
121.10139	13.1
123.04414	3.1
123.08051	7.7
123.11730	2.6
125.06017	1.4
125.09610	18.2
127.03930	5.4
127.07533	1.6
127.11180	1.3
128.06187	1.3
129.05481	29.5
129.06972	18.3
131.04863	1.7
131.08546	21.3
133.06467	4.9
133.10124	17.3
134.07207	1.1
135.04373	2.0
135.08015	4.1
135.11685	7.1
137.05983	2.5
137.09592	5.5
139.03891	1.5
139.07533	1.3
142.07748	3.6
143.07024	7.9
143.10661	2.2
145.04953	3.8
145.06505	1.7
145.10069	7.4
147.04350	2.3
147.08051	6.6
147.11673	26.5
149.05920	1.5
149.09618	9.3
151.03897	2.0
151.07603	1.4
151.11179	1.3
153.09082	1.8
153.12714	3.7
155.08488	1.2
157.08591	15.3
157.10104	23.6
158.05731	2.6
163.06003	2.3
163.11162	9.1
164.11993	1.4
165.12766	6.6
167.07008	7.2
168.07339	2.1
171.06500	2.7
171.10165	4.5
173.09532	1.6
173.11700	4.8
175.11157	22.8
177.05548	2.4
179.06973	1.4
181.04932	3.8
181.12250	2.9
182.09288	1.3
189.11189	8.2
191.07027	2.3
191.10616	3.2
193.12233	75.1
199.09613	2.6
199.13289	16.0
200.14108	2.0
201.14821	2.0
207.06473	2.1
209.11693	8.5
210.12579	2.1
211.13277	89.2
212.13708	1.8
213.11168	1.7
227.12788	13.4
229.14380	5.0
245.13823	1.3
247.13313	2.8
249.15041	1.6
255.15930	3.4
265.14169	1.3
267.15900	27.7
268.16241	1.2
283.15442	13.2
285.16943	53.3
301.16458	41.6
311.18561	1.2
321.16962	1.9
339.17923	3.6
347.79623	1.1
367.21198	2.4
391.24854	1.2
409.25974	5.3
421.25531	2.1
427.26923	6.5
439.26962	19.9
459.27039	3.6
475.26801	3.6
476.27795	2.2
477.28113	3.4
493.27847	14.8
494.28604	6.1
511.29031	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.1
67.05179	1.2
67.05500	18.7
69.07060	7.0
70.95856	6.3
71.00702	2.6
71.08622	10.5
71.92992	1.9
72.93394	1.4
72.93777	18.2
74.95331	1.2
79.05478	8.5
81.03411	5.1
81.07049	19.9
83.08594	5.1
85.02873	0.9
85.10172	6.7
88.96885	2.4
90.94810	13.1
91.05464	7.0
93.07034	9.9
95.08598	18.5
97.10135	2.4
98.20587	0.9
99.11729	1.0
102.94788	0.9
103.03915	1.4
105.07000	3.6
107.08583	4.0
108.95837	5.8
109.02866	1.0
109.10141	6.4
110.03616	1.2
113.96373	4.0
116.96338	3.6
117.07025	1.2
118.94220	1.0
119.08554	3.1
121.10123	3.8
122.97388	1.0
123.11699	2.3
125.96060	1.0
126.98379	4.7
128.96339	5.5
130.97879	3.0
131.08516	1.1
131.97394	1.5
132.95819	16.6
133.10083	1.6
134.97380	3.7
135.11618	2.0
136.93123	0.8
137.13219	0.9
138.98384	1.2
140.96315	1.9
142.97926	1.5
144.95793	7.8
144.97928	0.8
144.99413	4.2
145.10124	1.0
146.97362	10.8
147.11731	1.3
148.98982	3.6
149.13213	1.0
150.96873	11.3
151.02052	2.2
151.97696	1.5
154.94154	3.1
154.97874	2.0
155.97450	1.9
156.95792	3.6
156.99481	1.0
158.97368	10.6
160.98924	1.3
162.96869	9.0
164.98448	40.6
164.99831	2.2
165.03642	1.7
165.97090	1.8
166.97911	1.2
167.97462	1.1
168.99438	1.2
169.98933	1.7
170.97362	7.3
172.95235	5.9
172.98962	2.6
174.96857	3.4
176.98427	7.8
178.97955	2.2
180.99399	1.1
181.98944	1.7
182.97379	4.4
183.01012	1.1
183.98123	1.7
184.98921	3.7
186.96881	2.1
187.00485	1.2
188.00034	3.8
188.98439	10.0
189.03598	1.0
190.96289	3.3
191.00005	2.8
192.97916	2.4
192.99512	1.5
196.92052	1.4
196.98947	2.9
198.96861	45.6
200.00060	0.9
200.98438	6.3
201.99188	1.4
202.99951	3.4
203.05205	1.1
206.99478	10.3
207.01259	1.2
212.38747	1.1
213.03566	1.3
214.93034	6.5
215.00018	1.6
215.05214	1.6
216.97920	16.1
218.99406	5.8
224.98514	1.6
227.05237	1.7
229.01530	1.0
230.99545	7.5
233.01030	11.9
239.23607	1.7
239.99492	4.0
240.94690	1.5
241.05089	2.3
242.99474	1.4
243.06812	1.6
244.94373	1.0
245.01060	3.1
252.94582	1.3
254.99446	1.7
255.06566	1.6
257.24725	1.3
262.93042	24.7
264.07797	1.1
269.08203	1.3
270.95654	8.2
273.00574	4.5
275.01917	1.4
278.09583	1.1
279.23163	1.0
280.94077	18.0
281.09808	6.1
283.11404	3.4
285.12915	1.2
285.94653	3.2
298.95193	26.8
298.98651	1.6
300.94461	1.5
303.95758	1.3
309.15048	2.1
312.96582	5.2
313.27332	57.1
314.27655	1.5
316.96350	2.1
316.99438	2.0
317.17831	2.0
318.95584	1.5
321.96786	4.9
327.16049	2.3
329.11862	6.2
329.17700	7.8
331.13477	13.3
333.15070	100.0
334.15436	3.6
335.19489	1.4
335.25772	35.8
336.96683	10.1
341.05121	0.9
347.18872	6.1
351.16150	2.0
352.19272	1.6
354.97791	17.2
363.25354	1.3
365.14005	1.2
370.20142	1.1
372.98819	40.5
374.17593	1.3
377.94916	0.9
385.20392	2.8
396.00323	2.3
407.18719	18.9
408.19598	1.0
414.01416	5.5
427.21930	1.1
449.19684	2.8
501.15823	1.1
517.22083	1.8
519.17065	1.1
535.23309	2.4
537.17761	1.3
541.15222	1.3
551.19427	2.1
573.48663	4.8
575.19550	1.3
576.20013	1.1
593.20776	10.9
597.17999	1.3
611.21783	53.4
612.21472	2.4
615.19177	32.0
616.19330	2.0
629.22662	1.8
633.20172	53.7
634.20898	2.7
645.41321	3.1
652.24396	8.1
871.45355	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	878.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	1.9
67.05502	18.1
69.07047	5.2
71.08630	9.4
71.52615	1.4
79.05488	22.5
81.03420	3.0
81.07049	18.6
83.04976	5.0
83.08627	5.8
85.10172	4.2
91.03914	2.1
91.05479	20.1
93.07036	23.1
94.59003	1.6
95.04952	6.1
95.08598	15.7
97.10141	1.8
105.07034	14.1
107.04928	3.4
107.08594	5.3
109.10146	3.7
117.07004	2.5
119.08554	7.7
121.06549	1.9
123.08089	1.7
129.06992	7.3
133.10161	3.1
135.11684	1.8
143.08592	3.8
145.10136	2.9
147.11682	13.3
161.13223	2.3
171.11656	11.3
188.28410	1.7
189.12718	3.6
199.32135	1.6
199.33972	1.5
207.13792	12.2
281.17477	54.2
313.27374	41.3
314.27527	2.4
519.40393	100.0
520.40485	5.7
911.09235	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	3.0
67.05502	12.8
69.03431	1.7
69.07057	8.5
70.88860	2.5
71.04966	1.2
71.08625	17.2
73.02911	1.7
79.05485	12.1
81.03421	1.0
81.07049	15.9
83.04996	1.5
83.08612	11.7
83.17500	0.8
85.02892	3.4
85.06541	1.3
85.10180	10.4
89.06053	1.0
90.98389	0.8
91.03940	2.2
91.05448	4.7
93.07034	20.3
95.04945	3.9
95.08595	31.6
97.02916	4.2
97.06516	2.9
97.10152	3.7
99.04446	2.2
99.11766	1.1
103.07572	1.1
105.07025	3.2
107.04942	6.4
107.08571	15.4
109.10145	7.7
111.04443	1.3
113.09550	1.0
117.07007	5.2
119.08564	7.1
121.06497	4.0
121.10130	7.8
123.11713	1.7
125.05991	2.7
125.13285	0.9
127.03886	1.2
133.10123	1.9
135.08026	1.1
135.11671	36.0
137.13181	1.2
139.07545	1.4
143.32166	0.8
145.10107	19.8
145.52388	0.8
153.12727	1.0
163.11154	47.3
181.12210	10.2
209.11644	1.7
227.12755	53.5
228.13051	1.2
257.24673	2.1
283.15369	86.6
284.15720	2.0
313.27328	95.2
314.27643	2.6
521.38330	100.0
522.38495	2.9
598.85614	0.8
837.22797	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	0.6
68.99776	3.9
71.52834	0.7
71.53194	0.7
71.53548	0.5
77.03922	0.6
81.03392	0.7
84.72031	0.4
89.03905	0.5
91.05463	0.9
95.04942	1.2
99.36018	0.5
103.05428	0.7
107.04941	1.5
109.02888	0.8
111.00810	2.4
111.04426	1.5
115.05467	0.7
117.06976	0.6
119.04948	1.0
121.02847	1.5
123.04412	17.2
125.02312	0.7
127.03904	10.5
129.06937	0.7
131.04869	1.3
133.02840	1.0
134.08154	0.4
135.04382	7.2
137.02315	5.8
137.03302	0.7
137.05969	1.6
139.03885	22.3
140.04256	0.5
143.03387	0.9
143.04865	0.4
145.06514	1.1
147.04373	4.7
149.02316	6.6
149.05923	0.7
150.03087	0.8
151.03862	3.9
153.01810	13.2
153.02997	0.9
155.03375	2.4
155.04688	0.8
157.06490	0.9
159.04388	1.9
161.02290	0.6
161.05963	2.3
163.03897	14.0
164.04263	0.7
165.01814	0.9
165.05504	2.1
167.03401	1.1
168.10635	0.5
171.04349	0.8
173.05963	2.5
175.03879	3.1
177.05518	2.8
177.06810	0.6
179.03413	4.8
183.02655	0.4
183.04420	1.4
185.05934	1.9
187.03870	3.2
189.05418	2.2
191.03389	5.7
191.06967	0.5
193.04942	2.0
195.04456	0.5
197.05943	1.4
199.03822	1.6
201.05440	4.8
203.03395	6.8
203.06836	0.8
205.04922	2.1
207.06491	0.7
209.05965	0.6
211.03899	0.6
213.05426	3.6
213.07095	0.5
215.03435	3.3
217.04970	2.3
219.02873	4.9
219.06265	0.7
221.04391	0.5
225.05536	1.1
227.03435	0.8
229.04916	9.3
230.05264	0.5
231.06473	3.2
233.04520	2.2
237.03697	1.0
239.03244	0.6
241.04912	2.6
243.02928	1.2
243.06516	0.6
245.04439	8.2
245.06783	0.8
246.04904	0.5
247.03461	0.6
247.05980	12.0
248.06291	0.5
253.04945	1.8
255.02850	0.5
255.06525	1.6
257.04416	32.8
258.04886	2.5
259.05969	8.7
261.03845	3.7
261.07797	0.5
263.05273	2.2
265.05078	1.0
267.06558	0.5
269.04276	2.9
270.04840	0.5
271.05920	5.0
273.03909	1.8
273.07559	1.7
274.04657	0.9
275.05423	7.5
281.04456	1.8
283.06000	5.7
285.03879	6.0
285.07175	0.9
286.04431	0.8
287.05463	48.2
288.05814	2.0
289.07031	4.0
295.05884	0.8
297.03900	1.4
297.07413	1.0
299.05450	5.4
301.03760	0.5
301.07004	7.0
302.03970	0.8
303.04956	100.0
304.05368	3.7
305.06506	1.4
309.03925	0.9
311.05331	1.4
315.05151	1.3
317.06528	3.3
323.05548	0.6
325.07370	0.5
327.05103	1.4
335.05307	0.8
335.09006	0.6
337.03516	0.6
345.07666	0.6
347.05124	0.5
351.04684	1.1
361.06732	0.6
363.04651	0.9
365.06354	0.8
373.07150	1.1
377.06693	1.5
381.06006	0.7
387.04340	0.5
389.06445	1.3
391.08286	1.1
393.05997	1.9
395.07669	1.8
401.06818	0.6
403.08215	0.6
405.06061	1.9
407.07578	2.3
409.09152	12.2
410.09439	0.7
411.06061	1.0
411.11362	4.8
413.08603	3.7
417.06110	0.9
419.07495	1.3
421.09119	1.3
423.07040	3.0
425.08658	2.0
427.10443	2.4
429.08221	4.7
433.05576	1.3
435.06821	1.7
437.08521	1.5
441.07971	1.4
445.05167	0.6
447.06946	3.4
451.06296	0.9
463.06500	1.0
465.08258	1.0
471.09018	0.5
525.07446	0.5
531.09656	0.7
533.10486	1.2
541.07709	0.9
543.09247	2.3
544.09967	0.6
545.10297	0.8
549.10248	23.5
550.10461	1.5
555.08997	1.2
557.10474	0.8
559.08630	9.3
560.09351	0.7
561.10065	1.0
573.10205	3.5
577.09857	2.5
585.09955	1.9
587.11755	0.5
589.09930	3.6
591.10840	1.0
693.11890	1.3
695.13715	2.0
711.13275	14.7
712.13507	1.7
713.14331	1.4
729.01959	0.6
729.14368	7.8
730.14099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.541
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.2
67.05499	19.8
69.03421	4.9
69.07062	9.0
70.06134	0.3
70.97175	0.8
71.04992	2.9
71.08625	20.4
73.02909	3.1
77.03926	0.4
79.05483	15.6
80.05835	0.3
81.03411	44.9
81.07047	27.4
82.07386	0.6
83.04973	10.9
83.08609	21.3
85.02898	28.7
85.06538	1.8
85.10175	11.9
87.04461	0.9
89.06019	0.9
91.03948	7.3
91.05474	21.6
93.07036	11.1
95.04958	16.1
95.08598	18.7
96.04470	0.7
97.02881	8.1
97.06521	2.9
97.10160	6.1
99.04456	1.3
99.08091	1.1
99.11740	0.6
103.07568	1.1
105.07020	14.2
107.04945	4.9
107.08578	4.4
109.06506	2.9
109.10139	7.5
111.04431	1.8
111.08067	7.8
111.11693	0.8
113.06004	1.5
115.03829	0.5
115.05442	1.2
115.10857	0.3
117.07005	0.8
117.09129	0.4
119.04944	0.5
119.08572	12.7
121.06502	1.3
121.10139	6.7
123.08060	1.8
123.11692	3.3
125.09629	1.0
125.13241	0.4
127.03867	2.1
127.07507	0.4
128.04271	0.3
128.06143	0.6
129.06995	8.0
131.08556	8.0
133.06499	2.7
133.10115	9.0
135.11714	0.6
137.09590	1.0
137.13246	1.4
142.07721	1.7
145.04951	2.3
145.10123	1.0
147.08017	2.2
147.11670	10.2
147.12788	0.7
149.09648	4.6
157.10112	10.4
163.06030	2.8
163.11162	0.8
165.12709	2.1
175.11177	11.6
193.12231	30.7
194.12587	0.5
211.13269	43.0
212.13647	1.0
222.16954	0.4
239.23700	1.8
249.15172	0.4
257.24792	1.0
267.15906	17.0
268.16299	0.4
285.16937	63.2
286.17163	1.6
313.27335	64.2
314.27631	2.1
324.75104	0.4
387.52695	0.4
505.38840	15.7
506.39169	0.9
523.39899	100.0
524.40198	5.5
555.49573	0.4
722.73413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	15.7
69.03416	2.5
69.07063	7.5
69.53137	5.5
71.04990	2.2
71.08233	1.1
71.08628	19.5
73.02913	2.9
79.05486	12.4
81.03414	32.2
81.07050	21.5
83.04970	7.7
83.08614	18.1
85.02898	21.7
85.06551	1.4
85.10177	10.7
87.04468	1.1
87.49261	0.7
89.06040	0.7
91.03960	6.2
91.05476	16.6
93.07031	9.2
93.07565	1.0
95.04957	11.8
95.08598	17.3
95.09176	1.3
96.76399	0.6
97.02889	5.7
97.06514	2.1
97.10173	4.7
99.08115	0.6
99.11762	0.9
105.07009	9.1
107.04951	4.0
107.08591	2.8
109.06532	2.5
109.10152	7.0
111.04411	1.5
111.08076	5.3
113.05997	1.4
115.05499	1.4
117.06988	1.1
119.08573	8.7
121.06538	1.1
121.10146	4.8
123.08060	1.4
123.11696	2.4
127.03898	1.9
129.07013	5.4
131.08551	6.4
133.06516	1.1
133.10110	6.6
135.11621	0.8
137.09598	0.9
137.13275	1.4
142.07794	1.7
145.04948	1.6
145.10106	1.2
147.08035	1.8
147.11679	8.2
149.09610	2.8
157.10100	7.5
157.95195	0.7
163.06023	1.7
163.11290	0.9
165.12747	2.1
175.11203	7.4
193.12221	20.4
193.13867	1.2
200.83800	0.6
211.13272	24.3
221.17464	0.7
239.23750	1.8
257.24734	1.7
267.15900	12.8
285.13690	0.9
285.14542	0.6
285.16953	34.5
313.27344	66.6
314.27655	2.1
343.98541	0.7
442.06079	0.7
505.38824	18.2
506.39084	0.7
523.39905	100.0
524.40369	4.2
577.60822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46091	0.6
65.03938	1.8
67.05503	17.9
69.03426	4.0
69.07063	4.9
69.28780	0.7
69.46429	5.0
71.04984	3.7
72.52616	0.6
73.02897	1.6
74.73249	0.7
79.05492	20.2
81.03415	83.6
81.06586	1.5
81.07052	20.6
83.04971	9.8
83.08614	20.0
84.08930	0.6
85.02902	13.8
85.06503	1.5
87.04448	0.9
88.12553	0.6
91.03929	2.4
91.05476	24.3
93.07037	14.2
95.04961	29.4
95.08604	8.6
97.02866	4.3
97.06513	2.7
97.10149	6.3
98.20746	0.8
99.08079	0.8
103.05468	0.8
105.07023	19.9
107.04948	8.9
107.08601	6.6
108.63485	0.7
109.02869	0.9
109.06502	5.2
109.10165	4.6
111.04434	2.2
111.08079	8.6
113.05986	0.8
115.05439	2.7
117.07011	3.3
119.04944	2.3
119.08582	17.2
121.06509	5.0
121.10135	9.3
123.04448	3.5
123.08054	2.7
125.09607	3.9
127.03922	1.8
128.06187	0.8
129.06995	11.8
131.04900	2.0
131.08572	12.1
133.06505	4.4
133.10121	7.9
135.08061	1.5
135.63409	0.6
137.05963	3.1
137.09610	2.6
139.03854	1.6
141.06993	1.0
142.07785	2.2
143.08522	2.3
145.02731	0.7
145.06497	5.6
145.10098	3.1
147.04390	2.9
147.08043	4.1
147.11671	12.6
149.09605	6.0
151.03888	5.7
151.07352	0.7
153.09055	1.1
155.08524	1.8
157.06429	1.2
157.10129	13.9
159.08023	1.4
159.11580	0.7
161.05931	0.7
161.09535	1.2
163.03986	0.8
163.07472	0.9
163.11163	1.4
165.12671	3.3
167.06978	2.0
169.06462	0.8
169.10147	0.8
171.08002	1.3
171.11589	1.0
173.09692	0.7
175.11192	13.3
177.05435	1.9
181.04976	1.2
183.07988	1.1
185.09621	0.9
187.14799	0.8
189.09312	0.7
189.11134	2.2
189.12753	1.1
191.07040	2.4
193.10486	1.1
193.12228	33.1
195.11685	1.1
197.13286	0.7
199.11211	1.0
207.06554	0.8
211.11342	1.6
211.13284	13.4
213.12653	0.8
221.08109	2.5
223.13174	0.9
227.12602	1.4
229.14273	1.2
235.13348	0.8
237.12704	0.9
249.14854	2.4
255.13756	2.5
267.15900	100.0
268.16214	2.2
273.14801	6.6
285.16971	12.2
301.14285	0.9
303.08643	2.5
310.07260	0.7
339.23111	0.8
341.21115	1.5
349.21600	2.8
367.22739	7.9
385.23663	11.4
388.15063	1.4
403.24652	2.9
415.24899	1.2
428.27414	0.7
433.25833	17.3
441.26309	8.2
459.27399	85.3
460.27786	2.0
477.28455	47.9
478.28638	1.8
501.28403	1.4
519.29590	3.4
537.20844	1.4
543.29724	1.2
573.30597	0.9
585.30280	2.2
603.32294	1.3
621.32385	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	5.4
69.07059	1.7
70.07027	3.9
70.95837	2.4
71.04984	0.7
71.08612	3.0
72.93784	5.3
79.05498	4.7
81.03399	2.9
81.07041	6.8
83.08588	2.1
84.95816	0.7
85.10146	2.1
88.96909	1.0
90.94799	4.1
91.05476	3.9
92.04140	0.7
93.07017	4.4
94.20330	0.7
95.04974	1.0
95.08601	6.0
105.07036	2.2
107.08575	1.7
107.58247	0.7
108.95841	1.9
109.02879	2.7
109.10155	1.7
113.96415	0.8
117.07024	0.7
119.08549	1.6
121.10162	0.9
125.96104	0.8
126.98438	0.9
128.96342	1.7
131.08546	1.1
131.98668	1.4
133.10092	0.8
138.98430	1.2
140.10182	0.7
144.95766	1.0
144.99464	1.2
146.97372	2.5
150.96867	1.2
155.98616	0.8
158.97383	1.1
162.96910	1.4
164.98451	1.0
164.99965	1.1
170.91385	2.0
178.97873	2.0
183.98164	1.1
184.98798	0.9
188.92453	20.9
192.99487	0.9
193.93141	0.8
206.93372	1.6
208.92953	2.8
211.93979	1.4
212.92390	2.1
213.03665	1.0
214.04446	1.1
215.05205	1.6
226.94011	15.4
227.05235	1.5
229.06813	1.2
230.93575	2.3
240.06075	0.8
241.05190	2.1
244.95113	3.9
249.95654	1.9
255.06590	2.0
263.87341	0.9
265.08902	1.0
268.95096	2.9
275.07315	1.0
278.93631	1.1
279.08127	2.1
280.94937	0.9
281.09961	5.1
283.11365	3.0
296.94678	1.6
306.96545	1.0
308.94434	1.0
310.96130	2.2
313.27390	11.6
314.95673	5.1
327.10452	0.9
329.12045	5.5
331.13474	11.0
333.15067	100.0
334.15469	3.7
334.96051	2.4
335.25754	2.7
349.14743	0.9
351.16104	1.3
352.97363	0.9
365.14023	3.0
370.98032	2.1
372.16177	0.8
374.17682	3.0
389.17700	2.0
413.11847	1.1
465.17099	2.1
469.14362	29.1
470.14725	1.3
498.94183	0.8
507.17908	2.6
510.17215	0.9
519.18481	0.8
521.19489	2.2
545.19598	1.1
549.19128	2.7
555.18622	1.2
557.16138	1.2
573.18958	3.0
573.48669	14.5
574.48682	1.0
609.21008	4.0
627.22583	1.2
631.18744	1.8
645.41870	6.7
725.38287	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	4.8
69.03423	4.4
69.07056	1.6
70.12442	1.8
71.01369	0.6
71.05022	0.5
71.08629	1.3
73.02908	3.7
79.05469	2.6
81.03411	3.6
81.07045	5.6
82.67872	0.5
83.08614	1.7
85.02899	8.0
85.10175	0.9
87.04473	0.6
91.03952	4.0
91.05485	1.5
93.07029	4.3
95.04956	1.1
95.08596	2.8
97.02882	6.7
97.10163	0.9
98.21409	0.7
99.04472	0.7
101.02386	1.7
105.07007	2.3
107.08607	2.2
109.02923	0.7
109.10174	1.6
112.21136	0.5
115.03944	0.6
117.06907	0.5
119.08605	1.5
121.06534	0.5
121.10149	1.1
123.11722	0.5
127.03894	1.2
131.08611	1.0
133.10118	1.2
135.11647	0.7
145.10072	0.6
147.11716	0.7
149.13329	1.4
157.10133	0.6
165.52098	0.5
175.11304	0.5
179.33597	0.5
193.12291	1.5
198.98299	0.5
203.05301	0.7
211.13397	1.0
219.10420	0.5
243.08475	2.0
251.12578	0.7
261.22244	0.5
269.17419	3.2
287.17645	0.5
307.15363	0.6
313.27371	1.0
335.25632	2.9
347.09564	2.7
363.09018	1.0
405.13602	6.3
469.20404	7.7
497.30814	4.7
529.38904	7.0
631.25751	7.4
659.36084	4.4
725.44312	2.2
887.49615	100.0
888.49866	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	888.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	1.4
67.05501	62.4
69.03423	2.7
69.07066	18.7
69.26817	2.7
69.27240	6.8
71.04980	3.7
71.08626	1.3
73.02918	4.8
73.06631	0.7
75.86848	0.8
79.05488	37.1
81.03426	2.6
81.07049	71.2
83.04966	4.9
83.08604	10.9
85.02900	12.4
85.06557	3.0
85.69231	1.1
91.03940	6.9
91.05475	22.5
91.06016	1.7
93.07036	53.3
95.04935	4.9
95.08601	30.3
97.02876	6.7
97.06509	9.0
97.10168	2.8
99.04449	1.0
99.08106	2.0
101.02390	1.9
105.04543	0.8
105.07022	12.4
107.08580	29.7
107.45505	1.0
109.02850	1.1
109.06531	2.4
109.10139	9.9
110.26643	1.0
111.08099	5.2
115.03974	1.1
117.07007	7.0
119.08569	7.7
121.06479	1.5
121.10137	19.8
122.10498	1.1
123.11700	3.6
127.03906	2.2
131.08563	10.0
133.10110	8.3
135.08063	1.9
135.11671	9.9
137.13263	1.1
139.11220	1.0
145.03677	0.9
145.04922	1.8
145.10150	4.2
147.11668	4.9
149.06041	1.3
149.13240	22.7
149.14369	1.4
151.07573	2.5
154.02412	0.8
159.11673	10.4
161.13295	2.8
163.06047	2.2
163.14879	1.6
165.09096	1.4
173.13280	1.6
175.14767	0.9
177.12798	3.8
179.10730	1.6
187.14865	1.6
195.13802	6.4
243.21146	2.5
261.22061	8.4
267.16022	2.8
269.17450	75.4
270.17902	2.3
313.27600	1.0
317.24643	2.3
335.25784	54.6
336.26169	1.2
360.59521	1.0
405.13702	1.3
437.34332	2.1
455.35568	1.0
469.20383	1.5
529.38843	100.0
530.39355	5.0
547.39948	2.3
631.25989	1.3
632.26068	2.5
660.36761	1.7
888.49976	36.3
889.49902	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	896.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	0.7
67.05502	16.2
69.03413	2.5
69.07063	6.4
71.04978	2.8
71.08624	13.7
71.25948	1.8
73.02899	2.2
79.05070	0.9
79.05486	11.0
81.03410	31.5
81.06587	1.4
81.07049	18.4
83.04971	7.5
83.08611	15.3
85.02898	20.3
85.06535	0.7
85.10179	8.0
89.06031	0.6
91.03947	6.6
91.05476	16.7
93.07032	9.2
95.04955	13.5
95.08597	13.8
97.02881	6.9
97.06518	2.2
97.10157	5.7
99.08083	1.5
105.07021	11.8
107.04924	3.5
107.08582	3.2
109.06518	2.6
109.10139	5.6
111.04456	1.0
111.08067	5.7
113.06009	0.9
115.47962	0.7
119.08558	9.8
121.10132	3.6
123.08058	1.1
123.11684	2.4
125.09647	1.0
127.03899	2.4
129.07001	6.1
131.08548	5.2
133.06496	2.0
133.10127	6.7
135.11662	1.1
137.09630	1.3
137.13261	1.1
142.07721	1.0
145.04933	2.9
145.10089	1.0
147.08022	1.5
147.11630	7.2
149.09575	3.2
157.10106	7.0
163.06030	2.1
165.12743	2.2
175.11172	9.1
175.31929	0.6
193.12213	22.8
211.13260	43.3
212.13759	0.8
253.25417	1.1
263.35327	0.7
267.15869	16.1
271.26349	0.8
285.16934	60.4
286.17374	1.6
327.28885	60.4
328.29202	2.9
519.40417	12.5
520.40381	0.9
536.64221	0.7
537.41449	100.0
538.41632	5.6
602.52374	0.7
681.45099	0.9
724.93695	0.8
914.37787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	2.3
67.05500	45.1
69.03441	1.6
69.07063	11.2
70.19466	4.6
71.04996	2.6
73.02888	1.4
79.05486	49.5
81.03404	5.8
81.07050	42.3
83.04961	7.8
83.08621	5.4
85.02888	5.1
85.06516	2.6
88.57635	1.1
91.03969	2.7
91.05471	37.0
93.07034	53.6
95.04952	13.8
95.08596	27.4
97.02878	2.5
97.06511	3.4
97.10162	2.8
103.05480	1.0
105.04520	1.2
105.07027	25.2
107.04942	4.3
107.08568	14.5
109.06513	5.4
109.10149	10.0
111.08124	1.1
115.05393	1.5
117.07019	5.6
119.08573	16.2
121.01379	1.0
121.06496	1.6
121.10119	9.9
123.08080	3.2
123.11690	1.5
127.03902	1.4
128.06226	2.4
129.06998	10.0
130.20636	1.0
131.08566	4.8
133.06503	1.3
133.10152	8.9
135.11661	6.5
137.09566	1.2
139.07498	3.1
143.08549	5.9
145.10100	7.7
147.11671	25.1
149.13246	2.5
151.07516	2.2
159.11664	3.2
161.09602	1.4
161.13229	8.9
163.05977	1.5
165.09135	1.2
167.07002	2.9
171.11668	14.6
173.13280	1.8
175.44148	1.1
177.09099	1.3
189.12695	5.7
192.93852	1.1
207.13770	17.5
215.12196	1.0
243.20992	1.9
258.08954	1.6
261.22244	5.8
279.16202	1.5
281.17444	57.8
282.17627	1.2
283.22318	1.2
301.16519	1.3
302.16724	1.4
313.27286	2.4
335.25748	42.2
523.39032	1.3
539.39954	1.2
541.38849	100.0
542.38892	4.9
559.39874	2.4
754.39288	1.1
835.12225	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	1.2
67.05502	28.0
68.90089	0.8
69.03441	0.9
69.07074	8.2
71.05000	1.6
71.21171	1.1
71.21510	1.3
73.02941	1.5
79.05013	1.1
79.05486	22.1
80.06279	0.9
81.03419	2.5
81.06587	1.8
81.07052	27.4
83.04972	3.1
83.08626	6.1
85.02871	2.0
86.02994	0.8
91.03945	1.1
91.05477	12.1
93.07037	31.0
95.04971	4.1
95.08601	35.0
97.02893	3.6
97.06506	3.0
97.10191	1.0
99.04477	2.0
105.07036	9.2
107.04984	3.9
107.08592	21.5
109.06532	2.1
109.10162	9.2
111.08075	1.2
117.07023	5.3
119.08568	7.7
121.06510	3.0
121.10141	12.6
123.08105	1.0
123.11691	1.0
125.06030	1.6
127.03906	1.0
130.07825	0.8
131.08549	2.3
133.10136	4.4
135.08038	1.3
135.11682	30.9
139.07549	2.6
139.11140	0.9
145.10115	19.3
147.11674	3.1
149.13243	2.4
151.07547	2.3
159.11668	1.6
161.13228	1.0
163.07523	1.6
163.11172	32.3
167.07062	1.0
173.13286	1.1
181.12233	5.8
195.10219	1.2
223.18982	0.7
227.12766	41.8
228.13347	1.0
243.21120	2.2
261.22180	6.9
283.15378	55.1
284.15683	0.9
317.24677	1.6
335.25769	99.4
336.26157	3.9
498.63608	0.9
501.43585	0.9
543.36792	100.0
544.37079	4.8
628.80878	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92870	0.4
65.03884	1.3
67.05493	29.6
67.05824	1.1
69.03371	1.3
69.07057	9.1
69.25484	1.2
69.25890	3.6
71.04983	2.2
73.02864	1.0
77.03882	0.7
79.05481	24.7
81.03367	1.5
81.07042	33.8
83.04979	2.5
83.05363	0.6
83.08605	7.5
85.02903	2.7
85.06509	1.1
91.03909	1.2
91.05466	11.2
93.07030	36.7
94.07297	0.9
95.04971	4.5
95.08591	38.7
96.08878	0.6
97.02874	3.4
97.06512	2.5
97.10113	1.9
99.04444	2.9
103.05423	0.6
105.04485	0.8
105.07014	9.4
107.04935	4.5
107.08578	23.9
109.02891	0.5
109.06499	2.1
109.10143	9.9
111.04330	0.7
111.08021	1.1
113.05951	0.5
115.05499	0.5
117.07008	6.9
119.08563	10.0
121.06483	4.5
121.10121	14.2
123.08028	0.9
123.11713	2.6
125.06002	2.5
125.09565	0.7
127.03851	0.7
129.06981	0.6
130.07742	0.8
131.08559	3.3
133.10107	6.0
135.07965	1.5
135.11670	35.2
135.60669	0.4
136.11989	0.9
137.09581	0.5
137.13161	0.7
139.07481	1.4
145.06494	0.4
145.10104	19.5
147.11696	2.3
147.12640	0.5
149.13222	2.5
151.07549	1.1
159.11612	1.6
161.13200	1.7
163.11153	41.3
163.14783	1.7
164.11443	1.0
173.09607	1.0
173.13214	1.4
175.14766	0.7
181.12193	5.5
187.14719	0.9
195.10098	0.9
205.74385	0.5
209.11642	0.6
227.12746	49.2
228.13089	1.4
243.21063	2.4
261.22092	8.0
283.15353	53.4
284.15726	1.6
304.56665	0.4
317.24625	2.1
335.25745	97.3
336.26062	4.0
543.36731	100.0
544.37122	6.4
549.62555	0.4
554.40338	0.6
664.92670	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.6
66.10284	0.3
67.05495	43.7
69.03423	4.0
69.07058	11.3
69.47334	2.6
71.04979	3.1
71.08595	0.3
73.02900	2.8
77.03922	0.9
77.95595	0.3
79.02577	0.3
79.05482	35.9
80.04481	0.3
81.03407	39.7
81.07043	43.0
82.07345	0.4
83.04968	10.6
83.08606	16.3
85.02892	24.5
85.06519	1.9
87.04485	0.4
88.32610	0.3
91.03938	6.1
91.05466	29.1
92.05798	0.3
93.07029	34.7
94.07365	0.4
95.04954	18.3
95.08591	28.8
95.23279	0.3
96.04454	0.4
96.08961	0.4
97.02877	6.9
97.06508	3.7
97.10151	3.7
99.04452	1.0
99.07514	0.4
99.08045	1.6
101.02330	0.4
103.05464	0.6
105.04508	0.8
105.07015	22.2
106.07342	0.6
107.04941	4.2
107.08577	18.6
109.02895	0.5
109.06504	4.0
109.10143	12.0
111.04453	1.2
111.08067	7.2
113.06007	1.6
115.03934	0.4
115.05454	0.9
116.06245	0.4
117.07002	4.5
119.04960	0.6
119.08564	18.7
121.06479	1.5
121.10121	16.8
123.08038	2.1
123.11702	4.4
125.05986	0.3
125.09589	2.0
127.03876	2.4
127.07521	0.3
129.06982	6.7
130.07788	0.4
131.08545	13.0
131.09525	0.7
133.06482	1.3
133.10112	11.3
133.11084	0.6
135.08076	0.7
135.11667	7.5
137.09624	1.8
137.13258	0.7
139.11177	0.5
141.07031	0.4
142.07729	2.4
143.08533	0.9
144.06532	0.3
145.04930	2.2
145.10094	5.7
145.11143	0.5
147.08041	1.7
147.11665	12.7
149.09592	3.5
149.13248	3.3
151.11179	0.6
155.08556	0.9
157.10107	9.7
159.11661	3.0
161.13206	2.3
163.05991	2.8
163.11189	1.1
163.14793	2.0
163.67247	0.3
165.12764	2.2
169.10112	0.7
171.11693	0.7
173.13234	2.8
175.11157	9.4
175.14784	1.1
177.16417	0.9
183.11713	0.5
185.13313	0.6
187.14760	1.4
193.12213	25.8
194.12567	0.4
197.13277	0.3
199.14790	0.4
201.16379	0.4
211.13254	36.7
212.13684	0.7
227.12817	1.0
229.14352	0.4
237.22414	0.3
243.21011	2.8
249.14815	0.5
259.20502	0.5
261.22107	9.0
267.15875	11.2
279.23102	0.4
285.16919	44.3
286.17316	0.8
299.23581	0.4
301.25269	0.7
317.24658	1.7
320.99875	0.3
335.25751	67.3
336.25983	1.8
359.25897	0.4
417.31885	0.5
435.32391	1.7
453.33508	1.7
471.34702	0.9
527.37274	12.5
528.37567	0.5
545.38287	100.0
546.38629	5.2
583.51044	0.3
609.91626	0.3
629.08319	0.4
689.43158	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
64.64072	0.5
65.03934	3.1
67.05496	56.6
68.05797	0.6
69.03091	0.5
69.03421	6.1
69.07059	12.0
70.83595	1.3
71.01319	0.7
71.04985	5.9
73.02906	5.0
77.03855	0.5
79.05483	43.1
81.03408	58.9
81.07044	56.8
82.03732	1.0
82.07363	0.6
83.04972	14.0
83.08607	24.0
85.02894	37.1
85.06531	2.2
85.87981	0.5
87.04442	0.7
91.03947	7.9
91.05469	37.7
93.07032	44.0
94.07335	0.7
95.04954	24.4
95.08593	34.8
97.02307	0.8
97.02878	10.7
97.06518	5.3
97.07082	0.8
97.10154	5.3
99.04428	1.0
99.08073	2.3
103.05453	0.7
105.04502	0.6
105.07015	28.7
107.04937	6.0
107.08578	21.0
109.02818	0.9
109.06516	5.3
109.10144	12.9
109.43857	0.5
111.04398	2.0
111.07359	0.7
111.08074	9.1
113.05972	2.0
115.03915	0.6
115.05386	1.8
116.06216	0.9
117.07007	6.5
119.04868	0.6
119.08570	24.9
120.08911	0.5
121.06447	1.9
121.10130	18.9
122.83752	0.5
123.08028	4.0
123.11680	5.4
125.06036	0.5
125.09626	2.2
127.03897	3.3
127.07526	0.7
128.06207	0.9
129.06993	11.1
131.08548	17.1
133.06488	2.8
133.09125	0.9
133.10118	15.9
135.08020	0.6
135.11682	7.1
137.09641	2.3
137.13222	1.3
142.07793	2.2
143.08522	1.1
145.04948	3.1
145.10104	6.9
147.08026	3.1
147.11659	16.8
149.09595	5.7
149.13255	4.6
151.11115	0.5
155.08525	0.9
157.10107	12.8
159.11670	4.2
161.13231	2.9
163.06021	3.5
163.11136	1.2
163.14803	2.5
165.12740	3.2
169.10155	0.4
171.11597	1.3
173.13223	3.7
175.11177	13.5
175.14732	1.2
176.11304	0.5
177.12749	0.5
185.13219	0.7
187.14772	1.3
189.11209	0.9
193.12222	40.1
193.71516	0.5
195.13788	0.6
197.13254	0.7
201.16350	0.7
211.13264	62.9
212.13632	1.0
227.12741	1.3
229.14423	0.5
240.86632	0.4
243.15797	0.5
243.21104	2.9
261.22079	8.7
267.15860	14.3
275.23840	0.5
285.16928	74.8
286.17307	1.4
301.25281	1.2
308.74847	0.5
317.24811	2.7
335.25760	63.9
336.26144	1.5
359.25897	0.5
417.31500	0.9
435.32617	2.2
453.33591	1.9
471.34705	1.2
509.36084	0.9
527.37213	12.1
528.37531	0.7
538.25580	0.5
545.38312	100.0
546.38568	3.2
558.86505	0.6
563.38977	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
64.38444	1.1
66.53513	1.1
67.05168	1.7
67.05496	20.4
68.90726	1.2
69.03401	3.7
69.07053	19.1
71.04968	3.3
71.08621	3.1
71.52977	2.0
79.05476	13.3
79.47670	1.0
81.03405	36.2
81.07046	24.5
83.04964	8.3
83.08135	2.2
83.08604	25.3
85.02901	22.3
85.06541	1.4
91.03959	7.8
91.05468	16.0
91.53402	1.3
93.07024	12.3
95.04945	14.4
95.08588	17.9
95.86512	1.1
97.02876	5.7
97.06518	1.4
97.10165	8.5
99.08100	2.0
105.07021	11.1
107.04927	3.9
107.08570	6.8
109.06458	1.7
109.10151	6.2
111.04436	2.2
111.08058	7.1
111.11730	1.5
113.05989	2.0
119.08547	10.8
121.10119	10.0
123.08036	2.4
123.11678	2.9
127.03899	2.0
127.07571	1.5
129.07021	6.4
131.08554	5.3
133.06421	1.8
133.10086	5.0
135.11679	3.3
137.09633	1.6
137.13229	1.5
140.09869	1.3
142.07751	1.6
145.04939	2.2
147.08025	2.9
147.11662	9.3
149.09586	4.6
149.13240	1.7
157.10083	8.9
163.05980	2.9
165.12715	2.4
175.11179	11.2
193.12222	26.7
199.70459	1.5
211.13266	45.2
211.15297	2.5
212.13545	1.5
218.76927	1.3
265.25372	1.7
267.15887	17.6
285.16916	63.9
286.17322	2.7
288.53122	1.4
303.26874	1.3
325.71390	1.2
339.28897	59.1
340.29147	2.4
371.94815	1.3
470.76254	1.3
531.40247	13.7
549.41437	100.0
550.41882	6.2
908.48895	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	2.8
69.03418	3.2
69.07055	1.0
71.01360	0.6
71.05007	0.5
71.52892	0.6
73.02912	3.6
74.69796	0.3
76.29346	0.3
79.05492	2.0
81.03403	2.9
81.07053	3.3
81.77626	0.3
83.04970	0.5
83.08665	0.5
85.02897	5.9
87.04464	0.6
91.03954	2.9
91.05487	2.2
93.07032	1.7
95.04958	0.8
95.08599	2.4
97.02883	6.0
99.04445	1.0
103.03878	0.3
105.07053	1.3
107.08607	0.9
107.53390	0.4
109.02893	1.1
109.10162	1.0
112.95773	0.3
115.03949	0.6
119.08617	0.8
121.10143	1.0
123.11706	0.5
127.03913	1.4
133.10095	0.6
134.32674	0.3
135.11737	0.7
145.04799	0.4
145.10011	0.3
147.11691	0.7
178.64177	0.4
185.04234	0.8
203.05276	0.6
211.13383	0.5
211.49208	0.4
243.08310	1.8
251.12575	0.8
335.25891	1.0
347.09445	2.1
365.10712	0.7
377.21140	0.4
405.13644	4.8
461.58981	0.4
469.20447	2.4
497.36526	0.5
519.29370	5.1
631.26074	2.9
681.34467	6.4
747.43018	1.6
779.32550	0.5
907.22034	0.4
909.48071	100.0
910.48199	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	909.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	2.9
69.03419	4.2
69.07071	1.1
70.17892	0.4
70.62742	0.3
71.01363	0.7
71.04978	0.4
71.52288	0.6
73.02919	4.4
76.53685	0.3
79.05480	2.8
81.03419	2.4
81.07050	3.2
83.04959	0.8
83.08603	0.5
85.02898	6.7
87.04458	0.4
91.03934	4.3
91.05475	1.8
93.07046	3.3
95.04981	0.7
95.08607	1.7
97.02884	6.7
97.06498	0.6
99.04462	1.1
105.07044	1.3
107.04955	0.5
107.08617	1.2
109.02893	0.9
109.10143	0.8
115.03899	0.6
119.08572	1.3
121.10152	1.4
123.11693	0.5
127.03922	2.3
131.08588	0.5
132.81790	0.4
133.10133	0.6
135.11665	0.4
145.05019	0.7
157.10121	0.5
165.09232	0.6
175.11185	0.5
185.04266	0.6
193.12199	0.5
203.05313	0.8
243.08450	2.4
251.12578	1.1
269.12244	0.5
307.15329	0.4
335.26016	0.7
336.26450	0.5
347.09537	2.0
365.10736	1.2
405.13608	5.4
421.57050	0.4
469.20486	4.5
519.29181	5.2
588.97437	0.4
631.25415	2.6
642.99323	0.4
681.34351	7.1
747.42493	1.4
762.55585	0.5
836.29291	0.5
909.48065	100.0
910.48511	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	910.5718
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	18.3
69.03412	4.0
69.07059	7.8
71.04983	2.9
71.08623	18.3
73.02902	2.9
73.06550	1.0
79.05481	15.2
81.02918	1.9
81.03404	39.2
81.07045	23.9
83.04965	10.1
83.08608	20.5
83.09106	1.1
85.02889	29.7
85.06532	1.7
85.10165	10.4
91.03938	6.3
91.05467	19.7
93.07028	10.2
95.04960	16.7
95.08593	18.7
95.83644	0.8
97.02874	7.9
97.06522	2.3
97.10165	5.7
98.18124	0.9
105.07015	13.4
107.04945	3.4
107.08560	4.5
109.06500	2.9
109.10126	6.1
111.04440	1.5
111.08063	6.5
111.11726	1.2
111.71790	0.8
113.05997	1.4
119.08575	11.8
121.06409	1.0
121.10139	6.1
122.63353	1.0
123.08029	1.4
123.11689	3.9
127.03896	1.8
129.06982	8.3
131.08560	5.9
133.06436	2.0
133.10126	8.6
137.09647	1.3
137.13197	0.9
142.07753	2.3
145.04944	1.9
145.10052	1.1
147.08022	1.9
147.11668	8.4
149.09619	3.9
157.10089	8.9
163.06000	2.2
163.11203	1.0
165.12720	2.3
175.11151	10.1
184.38518	0.9
193.12213	25.7
193.13861	1.8
211.13252	44.4
249.95390	0.9
267.15869	17.9
285.16922	68.8
285.27731	1.2
286.17261	1.2
287.07919	1.0
341.30453	62.7
342.30844	3.0
533.41858	15.0
534.41583	1.1
551.42993	100.0
552.43341	7.1
695.46313	0.9
825.69574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05182	0.8
67.05494	10.8
69.03407	1.1
69.07076	6.1
71.04974	1.2
71.08620	17.6
73.02869	1.1
74.47264	0.7
79.05485	6.1
81.03407	44.7
81.06589	0.8
81.07043	13.4
83.04957	1.6
83.08157	1.1
83.08607	15.4
85.02889	3.7
85.06538	0.7
85.10175	9.3
89.05999	1.3
91.03944	3.5
91.05479	7.0
93.07035	4.8
95.04376	1.1
95.04951	13.8
95.08070	1.2
95.08591	13.2
97.02885	3.3
97.06526	1.2
97.10141	3.8
97.47652	0.6
103.07529	0.9
105.07014	6.0
107.04935	3.2
107.08548	2.1
109.06497	1.8
109.10168	5.2
111.04398	1.6
111.08076	5.4
117.06986	1.0
119.08559	6.9
121.06497	1.4
121.10076	2.2
123.04399	1.2
123.08051	1.2
123.11665	2.7
127.03837	0.9
129.06998	5.2
131.08559	4.6
133.06432	2.0
133.10080	3.0
135.11578	0.7
137.09610	1.3
142.07623	0.9
145.04893	1.7
145.10036	0.9
147.08000	1.9
147.11652	5.1
149.09528	2.1
157.10094	5.7
163.06001	3.0
165.12750	1.1
175.11147	6.6
193.12216	20.1
211.13354	1.1
235.13351	1.2
239.23676	2.5
249.14786	1.3
257.24649	2.1
259.13275	0.8
267.15878	100.0
268.16333	2.4
301.14316	1.9
309.17026	3.6
313.27325	97.5
314.27557	3.2
319.15463	0.8
393.19220	1.0
394.38480	0.8
399.57529	0.9
505.38821	86.1
506.39224	3.2
523.39722	2.2
547.40106	6.1
589.40564	1.1
601.40723	2.1
602.41345	0.8
613.40924	1.8
631.41748	1.9
649.43219	2.0
676.06879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	3.6
67.05174	4.1
67.05503	48.1
69.07054	13.4
69.33553	23.0
71.58161	2.8
77.03909	2.2
79.05489	60.8
81.03405	7.8
81.07043	46.9
83.04984	6.7
83.08604	10.5
84.16329	2.2
85.02885	4.7
91.03982	3.5
91.05472	67.8
91.11157	2.3
93.07037	71.6
95.04984	15.0
95.08583	25.1
97.02940	2.9
97.06522	2.7
98.21529	5.2
105.07025	59.5
107.04945	7.1
107.08567	24.5
109.06507	6.3
109.10152	9.7
117.07013	17.2
119.08572	45.3
121.06471	3.6
121.10132	15.3
123.08080	3.0
128.06236	5.4
129.06985	13.8
131.08611	17.0
133.10121	31.2
135.11696	11.7
139.03876	2.7
143.08557	11.7
144.45880	2.6
145.10121	15.8
147.11682	44.0
149.13303	7.8
151.07550	3.3
157.10135	4.2
159.11699	13.5
161.09592	3.1
161.13242	29.3
171.11626	22.6
173.13217	13.0
175.14838	9.1
177.12708	3.2
185.13229	6.8
187.14752	3.6
189.12688	5.7
193.08530	2.8
197.13031	2.4
199.14873	3.8
201.09113	2.4
203.14047	2.7
207.13756	16.5
213.16342	2.5
231.21056	5.0
241.19505	24.9
257.18961	3.5
258.83789	2.9
259.20547	59.4
266.67261	2.5
279.15768	19.3
281.17444	63.9
315.23273	6.1
333.24228	44.0
384.47101	2.5
447.32455	9.8
465.33408	6.7
483.34924	4.2
521.36145	6.6
539.37274	100.0
540.37640	8.0
557.38446	29.5
588.99713	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	920.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	4.3
67.05499	61.4
69.03416	6.6
69.07056	14.4
71.04977	5.5
71.52467	1.5
71.61845	1.2
72.48745	1.3
72.77414	1.2
73.02906	5.8
79.05483	48.6
80.06267	2.0
80.74477	1.1
81.03409	13.8
81.07049	52.2
82.04185	4.0
83.04980	8.8
83.08609	14.7
85.02892	19.8
85.06541	3.0
91.03941	11.9
91.05468	32.4
93.07034	51.8
95.04959	15.3
95.08591	37.6
97.02875	9.9
97.06504	8.2
97.10151	11.6
98.07282	4.7
99.08067	2.0
105.07010	22.1
107.04936	5.0
107.08575	27.3
109.02821	1.6
109.06488	3.7
109.10144	23.7
111.08050	4.8
116.04697	11.9
117.07003	9.3
119.08570	20.3
120.08840	1.6
121.06474	2.8
121.10123	22.0
123.08031	5.7
123.11680	5.4
125.09607	15.3
127.03918	4.3
127.11182	1.8
129.05475	26.2
129.06981	4.4
130.07716	1.3
131.08551	15.7
133.10127	15.0
135.08038	3.4
135.11659	14.0
137.09601	3.7
137.13216	2.6
139.11169	1.7
143.07008	5.2
143.08563	1.6
145.04939	4.0
145.10100	11.6
147.11662	13.3
149.09618	3.4
149.13283	8.4
153.09172	1.3
157.08563	12.4
157.10085	4.0
159.11636	8.3
161.13235	4.0
163.05988	2.7
163.11183	4.2
163.14769	4.0
165.12732	1.7
169.10011	1.5
171.10170	4.4
171.11589	1.7
173.11845	1.8
173.13252	5.4
175.11150	3.6
175.14780	2.7
177.12704	1.4
181.12149	1.8
183.11653	1.4
185.13263	1.3
187.14848	3.9
189.11189	4.8
193.12230	7.8
199.13223	4.3
200.14050	2.1
209.11749	3.1
211.13206	8.8
227.12741	10.6
229.14291	2.8
243.20972	3.7
255.15948	2.3
259.20520	4.3
261.22171	12.4
267.15799	6.8
277.21576	6.9
283.15314	3.2
285.16913	4.8
294.70279	1.4
301.16434	66.8
302.16479	1.4
315.23242	1.7
317.24530	1.7
335.25763	79.4
336.26093	3.2
342.89651	1.3
398.47253	1.2
489.36206	2.2
525.35809	1.5
527.37506	7.1
543.36603	3.7
544.83307	1.2
545.38318	3.7
561.37830	100.0
562.38184	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	920.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	2.3
67.05500	50.0
69.03428	4.7
69.06720	1.1
69.07063	14.3
71.01350	1.4
71.04995	3.6
71.08604	0.7
73.02901	6.4
73.25066	0.7
74.09681	0.8
75.31453	0.8
79.05487	43.5
80.06256	1.3
81.03410	14.8
81.07049	50.1
82.04187	3.0
82.07375	1.2
83.04971	10.4
83.08605	11.6
84.05755	0.8
85.02897	17.4
85.06531	2.9
85.57683	0.7
91.03957	9.2
91.04487	1.3
91.05471	31.4
93.07035	41.1
94.07851	1.0
95.04961	13.1
95.08598	37.9
97.02880	9.1
97.06528	6.7
97.10160	11.7
98.07314	3.9
99.04449	2.0
99.08086	2.8
101.06003	1.0
105.07022	22.2
107.04951	2.5
107.08590	24.8
109.02859	0.8
109.06493	3.6
109.10145	19.2
111.04415	1.0
111.08067	5.1
113.06029	0.9
115.03914	1.2
115.05479	1.5
115.82401	0.8
116.04697	11.4
117.07001	8.6
119.08571	19.1
121.06499	2.5
121.10133	20.4
123.04427	0.8
123.08060	4.5
123.11682	5.4
125.09620	11.8
127.03891	3.4
127.07525	0.7
127.11197	1.6
129.05475	25.3
129.06929	3.9
131.08559	13.3
133.06490	0.8
133.10115	17.0
135.07979	1.8
135.11674	13.0
137.09605	1.6
137.13248	2.1
139.11177	1.4
143.07036	6.1
143.08551	3.1
143.10678	1.3
145.04950	4.3
145.10115	10.1
147.08047	2.1
147.11667	12.1
149.09628	2.7
149.13237	7.4
150.99556	0.7
151.11171	1.4
153.09079	0.9
155.08536	1.2
157.08591	11.9
157.10109	6.2
158.05721	0.8
159.11667	6.9
161.13219	4.8
163.06024	4.8
163.11147	4.3
163.14828	3.1
164.11899	1.0
165.12726	2.2
171.06540	0.8
171.08926	0.7
171.10165	4.0
171.11681	1.9
173.09671	1.0
173.11752	1.7
173.13269	5.5
175.11143	3.9
175.14827	2.4
177.12744	1.1
181.10187	0.8
181.12238	1.0
185.11792	0.7
185.13290	1.6
187.13260	0.8
187.14851	2.1
189.11227	5.4
191.10704	1.3
193.12221	8.5
199.13290	3.4
199.14900	1.5
200.14111	2.5
201.16411	1.2
209.11720	2.4
211.13268	6.3
217.14308	0.8
227.12721	8.2
228.13382	0.9
229.14354	2.2
241.19682	1.2
243.21075	5.1
259.20575	3.4
261.22147	13.1
267.15842	8.1
269.17480	1.5
277.21622	5.7
279.22849	0.8
283.15387	3.1
285.16980	3.2
301.16431	63.1
302.16718	2.0
315.23163	2.3
317.24789	2.0
327.23068	0.9
333.24173	1.9
335.25778	77.3
336.26080	4.1
351.25314	2.2
389.26669	1.5
487.33923	0.8
489.36002	1.2
509.36490	0.8
527.37164	5.0
543.36774	3.1
544.36865	1.2
545.38226	3.0
561.37799	100.0
562.38092	6.8
579.38727	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	2.4
67.05499	41.8
69.03423	4.9
69.07057	13.4
71.04984	5.1
71.52485	3.3
73.02917	1.8
79.05487	44.1
81.03413	34.8
81.07050	49.0
83.04984	11.1
83.08598	15.6
84.66628	1.7
85.02898	19.2
85.06521	3.3
91.03949	5.9
91.05473	65.0
93.06477	3.2
93.07038	44.8
95.04971	23.4
95.08595	28.8
97.02880	7.7
97.06525	3.9
97.10154	4.9
99.08073	2.9
103.05469	3.3
105.07022	56.5
107.04945	6.4
107.08582	27.6
109.06494	4.2
109.10143	12.8
111.08084	7.2
115.05423	3.2
117.07031	14.9
119.08575	44.9
121.06484	2.0
121.10139	21.6
123.08076	2.5
123.11678	4.9
125.09595	2.9
127.25787	1.7
128.06189	2.4
129.05540	2.5
129.07018	15.6
131.08546	24.9
133.06482	2.5
133.10115	35.7
135.08028	2.1
135.11705	12.0
137.09686	2.3
142.07802	3.0
143.08549	7.7
145.04939	2.5
145.10091	18.0
147.08054	3.9
147.11671	41.9
149.09610	4.9
149.13293	8.3
155.08548	2.9
157.10123	15.2
159.11688	16.0
161.13237	20.9
163.06029	3.2
163.11194	3.0
163.14955	1.9
169.10184	2.9
171.11668	11.0
173.13199	11.2
175.11163	11.0
175.14809	6.5
183.11743	3.7
185.13231	6.9
187.14714	2.1
193.12239	29.9
195.11636	2.4
199.14850	5.4
211.13258	33.0
227.12848	4.9
231.21066	6.1
241.19475	26.1
257.19043	2.0
259.20560	73.0
267.15900	19.4
275.20068	3.0
277.21716	2.3
283.15424	4.4
285.16904	45.3
299.57376	1.9
315.23105	6.5
333.20398	3.3
333.24225	45.1
334.24652	3.0
335.25858	2.4
352.37228	2.1
353.45508	2.0
433.30765	6.0
440.54132	2.0
451.32330	9.8
469.33014	4.9
507.34503	3.4
515.37531	4.1
525.35724	32.5
543.36749	100.0
544.37006	4.1
561.37762	5.4
567.84558	1.7
591.58063	1.9
635.05829	2.0
669.39264	3.7
687.40204	3.8
741.91071	1.8
758.46289	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	920.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.3
67.05500	59.4
69.03420	6.8
69.07050	15.0
70.56826	8.3
71.04974	6.0
73.02918	5.6
79.05488	61.4
81.03414	64.0
81.07047	62.7
83.04963	19.9
83.08617	26.3
85.02424	3.7
85.02900	38.5
85.06540	5.6
87.04445	2.1
91.03946	6.1
91.05473	86.4
93.07039	63.0
95.04959	33.3
95.08598	32.3
97.02883	9.7
97.06517	7.5
97.10168	10.0
99.08085	4.4
103.05464	2.6
105.07024	74.0
107.04935	8.6
107.08591	33.1
109.06513	8.3
109.10162	15.4
111.04428	3.7
111.08057	11.8
111.11645	2.8
115.05475	3.9
117.06997	21.2
119.08575	68.5
121.06535	3.0
121.10136	30.1
123.08055	9.0
123.11687	5.7
125.09638	3.8
128.06203	3.4
129.07002	20.7
131.08574	37.0
133.06442	4.4
133.10127	49.9
135.08066	3.0
135.11687	13.1
137.09712	2.8
142.07732	3.7
143.08539	11.7
145.06567	2.4
145.10106	24.7
147.08012	5.9
147.11688	46.7
149.09598	7.0
149.13246	14.5
157.10107	29.8
159.11674	18.1
161.13275	22.4
163.11269	2.8
163.14854	3.5
165.12758	4.1
169.10118	5.7
171.11751	13.9
173.13272	12.3
175.11180	11.7
175.14764	10.4
181.12415	2.3
183.11731	6.1
185.13214	10.0
187.14743	3.5
188.39375	2.4
189.11183	2.7
189.12721	3.3
193.10442	2.5
193.12242	41.8
197.13203	3.5
199.14815	5.1
211.11278	5.1
211.13252	53.8
211.15247	2.7
213.16475	4.2
214.14140	2.3
227.12779	4.1
229.14270	3.9
231.21092	2.9
241.19472	18.2
257.18948	3.9
259.20523	60.6
267.15906	25.5
269.17712	3.0
271.20337	2.2
283.15274	3.2
285.16940	61.9
286.67175	2.4
315.23221	8.3
333.24261	48.3
335.25922	2.1
350.13965	2.5
415.29947	3.8
433.31128	11.2
451.32040	11.3
469.33130	5.2
507.34500	3.8
515.37250	4.3
525.35736	36.4
543.36792	100.0
544.36993	3.1
561.37921	6.9
651.38947	3.4
669.39557	3.0
935.43237	2.5
948.28485	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	920.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	1.4
67.05500	40.9
69.03430	1.5
69.07068	5.6
69.94749	1.7
69.95162	2.5
71.04987	13.2
73.02898	2.2
75.60558	0.8
79.05487	24.2
81.03425	1.6
81.07047	60.7
81.38218	0.8
83.04987	2.3
83.08618	5.2
85.02891	7.5
85.06537	5.7
86.20179	0.8
87.33187	0.8
91.03944	4.2
91.05469	18.7
93.07037	27.5
95.04951	2.2
95.08599	18.9
97.02881	3.3
97.06514	2.8
97.10144	2.0
99.08054	1.4
105.07021	11.8
107.08575	14.4
109.06509	1.5
109.10162	8.7
111.08099	1.6
114.90504	0.8
117.07014	3.0
119.08545	6.1
121.10128	10.2
123.11707	10.5
127.03921	1.7
127.79905	0.9
128.89049	0.8
129.36931	0.8
131.08556	5.1
133.10132	13.9
135.11664	6.8
140.49742	0.8
145.04965	1.8
145.10059	4.7
147.11673	2.4
149.13235	4.6
151.11162	4.7
156.92654	0.9
159.11707	3.8
161.13260	1.7
163.06001	1.5
163.14830	1.1
167.27142	0.8
173.13260	1.0
183.13809	2.2
187.13313	2.5
187.14851	0.9
193.08389	0.9
195.13719	1.0
203.10715	1.0
227.16479	1.0
231.90503	0.9
243.15833	0.8
261.22073	2.3
269.17389	5.0
271.20648	1.1
285.14014	0.8
301.20016	10.8
335.25784	18.9
437.34140	1.7
445.23740	1.1
485.36612	1.6
503.37277	65.7
504.37689	1.7
511.38660	1.1
517.38831	3.9
529.38806	14.5
561.41449	100.0
562.41528	3.5
673.42737	1.2
705.45300	1.6
777.76849	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	3.8
67.05500	77.0
69.03418	6.2
69.07056	24.7
71.04976	2.7
71.08619	2.6
71.53017	2.8
71.53374	2.8
73.02895	2.4
73.84138	2.4
75.36401	2.4
79.05486	87.3
81.03416	12.3
81.07047	80.4
83.04977	14.3
83.08601	15.1
85.02891	13.4
85.06551	5.2
91.03944	4.2
91.04890	4.7
91.05470	90.8
93.07034	100.0
93.07625	5.0
95.04939	27.2
95.08592	49.0
97.02890	11.2
97.06505	12.8
97.10152	6.6
99.04470	2.6
99.08081	2.9
103.05463	3.1
103.98755	2.2
105.07019	73.2
105.07690	5.0
107.05014	14.0
107.08588	37.5
109.02840	2.8
109.06508	10.1
109.10150	15.5
111.04423	3.6
111.08071	3.3
117.06987	24.8
119.08564	52.0
121.06461	6.5
121.10123	24.2
123.08064	8.2
123.11681	3.4
128.06200	4.2
129.07008	26.2
130.07851	3.0
131.08559	20.8
133.10123	29.6
135.08011	4.4
135.11693	12.7
137.09605	3.3
143.08565	15.0
145.04936	3.8
145.10114	20.9
147.08051	6.2
147.11674	51.3
149.09587	4.7
149.13211	11.9
151.07544	4.1
157.10115	9.0
159.11639	19.2
161.09630	5.6
161.13252	25.0
163.11235	5.0
163.14861	3.7
169.10165	2.5
171.11650	26.8
173.13292	9.1
175.14801	7.1
177.12697	5.6
179.14098	2.6
185.13266	4.9
189.12761	5.9
195.13750	4.5
197.13319	3.5
199.14851	4.6
207.13744	28.3
237.00729	2.4
241.19475	13.3
257.18994	7.5
259.20547	26.6
261.22183	9.8
266.65649	2.4
269.17432	12.4
275.20078	14.7
279.15823	12.4
281.17453	72.2
291.50339	2.5
310.82358	2.6
313.27319	13.4
321.60858	2.7
333.24222	22.2
335.25812	13.9
349.23734	11.8
447.32516	5.1
457.29169	2.9
458.42648	2.5
475.30481	56.8
539.37256	39.4
555.36310	12.6
557.37939	13.8
573.48755	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	932.6288
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	1.2
66.92260	0.6
67.05498	33.1
69.03417	2.4
69.07061	12.9
69.61464	1.5
69.61873	3.7
71.04988	1.5
71.08236	1.0
71.08624	19.8
71.89336	0.7
73.02900	4.5
79.05486	18.1
81.03422	1.2
81.07044	40.6
81.27973	0.7
83.04985	0.9
83.08151	0.8
83.08610	10.3
85.02894	15.6
85.06509	1.8
85.10173	11.7
89.06033	0.9
91.03951	11.2
91.05471	9.1
91.06278	0.7
93.07029	23.5
95.04971	1.8
95.08593	38.7
97.02891	9.7
97.06528	1.9
97.10138	4.9
99.08067	0.8
102.35704	0.7
103.07570	1.1
105.07030	7.9
107.08580	15.5
109.10139	19.4
111.08081	1.0
111.11703	0.9
115.03913	0.9
117.07020	4.1
117.97159	0.6
119.08566	6.5
121.10126	13.6
123.11679	7.2
127.03931	5.0
131.08560	6.3
133.10117	8.0
135.11673	11.0
137.13239	3.1
145.04930	4.7
145.10117	5.1
147.11659	4.1
149.13237	7.5
151.14789	0.8
159.11679	5.5
161.13246	3.7
163.05975	7.4
163.13628	0.8
163.14825	3.8
173.13281	4.7
175.14870	1.6
177.16339	1.6
187.14828	2.8
201.16440	1.2
219.21257	0.6
233.22624	1.4
239.23685	3.1
243.21065	8.8
257.24817	1.4
261.22104	38.8
262.22464	0.9
290.44092	0.7
313.27328	100.0
314.27625	2.6
317.24661	6.2
335.25751	78.2
336.26105	2.5
353.26788	0.9
372.31213	0.8
449.02167	0.9
573.48737	43.5
574.49103	2.0
591.49744	9.2
592.49622	0.8
724.20789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5561
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.3
67.05497	13.4
69.03421	9.5
69.07058	5.8
69.39642	0.4
69.40051	3.0
70.21114	0.3
71.01328	1.3
71.04978	1.5
71.08611	0.6
73.02912	8.8
79.05485	9.2
81.03413	4.8
81.06584	0.7
81.07048	12.8
83.01321	0.4
83.04960	1.2
83.08611	2.7
85.02895	19.5
85.06568	0.6
87.04462	0.6
91.03948	11.2
91.05469	8.5
93.07029	9.1
95.04958	1.7
95.08598	10.4
97.02882	16.4
97.06535	0.8
97.10148	2.2
99.04420	1.4
101.02389	2.3
105.07020	8.2
107.04948	0.7
107.08582	6.6
108.44810	0.4
109.02866	1.4
109.06519	0.8
109.10140	4.2
111.08049	0.9
115.03926	1.4
115.05464	1.1
117.06988	4.2
119.08575	5.8
120.32870	0.4
121.06492	0.6
121.10133	4.5
123.08038	0.9
123.11700	1.6
125.09605	0.8
127.03899	4.2
128.06169	2.4
129.06998	6.0
130.07771	0.4
131.08543	7.0
133.10120	6.3
135.08066	0.7
135.11685	2.0
137.13251	0.8
141.06963	4.2
142.07759	1.1
143.08562	7.2
145.04944	3.6
145.10110	6.3
147.11656	3.5
149.09628	0.5
149.13255	1.4
151.07523	0.4
151.11166	0.4
153.06963	0.8
154.07802	1.2
155.08539	5.3
156.09306	0.7
157.10123	7.4
159.11667	4.2
161.13297	1.6
163.06013	1.4
165.07027	0.6
166.07805	0.6
167.08542	3.1
168.09341	1.1
169.10107	7.4
170.10849	0.5
171.11658	6.4
173.13226	3.7
175.14836	1.1
179.08531	1.9
180.09377	0.6
181.10095	4.8
182.10747	0.6
183.11678	7.8
185.13245	4.7
187.14825	1.4
189.16441	0.4
191.08568	0.6
192.09312	0.6
193.10069	2.3
194.10831	0.6
194.69881	0.4
195.11676	4.7
197.13211	6.2
199.13191	0.6
199.14819	3.1
201.16422	0.7
207.11676	1.5
208.12415	0.6
209.09741	0.4
209.13251	5.0
211.14792	3.9
213.16371	2.1
215.18004	0.7
218.10953	0.5
219.11668	0.6
220.12363	0.4
221.13211	2.1
222.14000	0.5
223.14789	3.4
225.12720	0.5
225.16373	2.2
227.18002	1.3
233.13284	0.8
235.14871	2.1
237.16368	2.4
239.14316	0.5
239.18016	1.4
241.19678	0.6
247.14841	0.8
249.16331	1.1
251.18007	1.5
253.19731	0.8
261.16345	0.5
261.22217	0.5
262.22531	0.4
263.18011	0.7
265.19522	0.8
275.17850	0.6
276.16171	0.4
277.19208	0.4
279.21182	0.6
297.22003	0.7
309.22250	0.9
313.21808	0.4
313.27408	1.5
321.21994	0.5
323.23633	0.9
335.26230	0.8
336.26169	0.5
337.25174	0.7
349.25330	0.7
351.26700	0.7
353.24643	0.4
353.28625	0.5
363.26660	0.5
365.28421	1.1
377.28412	0.6
391.29947	0.5
393.31781	0.6
405.31522	0.5
431.28961	0.4
435.32434	0.6
447.32022	0.6
461.34256	0.5
473.33084	0.5
499.33847	0.6
501.35800	0.8
513.35577	0.4
515.37781	0.7
517.40375	4.1
521.35925	0.6
525.35858	0.6
527.37598	0.7
529.39789	0.5
535.41553	1.4
539.37402	1.3
541.38776	1.4
567.40381	0.7
573.42865	0.9
591.44019	5.1
592.44763	0.5
607.43579	2.8
609.45062	100.0
610.45520	6.1
621.45111	2.5
643.43878	0.6
645.44861	0.5
651.46082	1.9
675.45892	0.5
693.47833	0.7
699.46002	1.2
717.47272	1.7
735.48242	2.0
753.49304	3.4
771.50275	26.2
772.50867	1.8
795.49982	0.6
906.62433	0.4
915.54266	0.5
933.55444	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	936.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	3.1
67.05498	68.2
69.03425	12.5
69.07060	36.7
70.03818	7.6
70.04224	5.6
71.04983	9.3
73.02911	5.5
79.05484	70.2
80.92870	2.6
81.03406	96.9
81.07043	86.0
83.04973	30.0
83.08610	45.1
85.02892	42.7
85.06549	4.8
91.03938	5.8
91.05470	80.3
92.05792	3.5
93.07032	65.7
95.04957	39.0
95.07994	2.5
95.08595	40.2
97.02885	11.2
97.06514	20.5
97.10143	22.9
99.04424	3.0
99.08102	4.4
103.05480	3.2
105.07017	68.6
105.07680	4.4
107.04929	21.6
107.08575	51.2
109.02888	4.6
109.06506	12.6
109.10151	20.8
111.04438	6.8
111.08047	17.7
112.48203	2.1
113.06046	5.0
115.05465	6.9
117.06991	20.3
119.08566	44.5
121.06489	7.8
121.10124	25.9
123.08057	8.9
123.11690	5.0
125.09601	21.4
127.03915	9.1
129.06987	20.9
131.08551	34.4
133.06493	9.2
133.10120	39.8
135.08080	7.2
135.11662	11.1
137.05890	2.7
137.09605	7.3
142.07777	7.2
143.08539	5.6
145.04958	3.3
145.10101	21.9
147.04504	2.7
147.07951	4.1
147.11659	33.0
149.09607	28.1
149.13246	9.7
151.11201	3.0
155.08514	2.6
157.10092	21.4
159.11650	16.6
161.09644	4.0
161.13235	5.1
163.11209	10.9
165.12784	3.1
168.27110	2.4
169.10155	5.2
171.10265	2.5
171.11708	6.6
173.04509	4.4
173.13176	6.0
175.11165	22.8
176.11429	2.9
179.14261	3.3
183.11713	3.1
185.13155	3.7
189.11240	9.3
193.10437	3.9
193.12202	64.1
193.13864	4.0
195.13811	3.3
211.13268	94.8
211.15292	5.1
227.12732	26.5
229.14304	4.1
239.18021	3.8
255.15997	6.6
257.19034	14.1
267.15884	46.2
269.17392	20.1
275.20041	51.3
276.20486	2.2
280.92178	2.2
285.16919	99.7
285.37747	2.2
286.17285	2.7
293.21170	5.8
320.54178	2.8
331.22491	4.2
332.55093	2.2
349.23694	60.9
350.23764	2.5
367.24774	3.0
396.11172	2.5
403.24716	2.6
419.24423	3.1
437.25455	5.3
439.26868	6.6
447.27274	7.9
447.77316	2.2
455.26511	6.6
461.28973	23.9
463.30585	4.2
465.28305	9.6
477.28528	3.5
479.29996	71.1
541.35193	48.4
542.34247	2.4
559.36237	100.0
560.36481	3.4
577.36908	13.3
599.30591	3.7
623.34277	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	936.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	4.2
67.05496	76.1
69.03419	16.2
69.07059	24.8
69.43943	1.8
69.44357	6.8
71.04983	10.5
71.08597	1.7
73.02903	6.0
77.03906	1.2
79.05482	76.9
81.03409	73.2
81.07046	81.4
82.07395	1.1
83.04967	26.8
83.08610	29.5
85.02893	48.6
85.06529	4.4
87.04447	2.1
91.03950	14.3
91.05468	100.0
92.05797	2.1
93.07031	76.3
94.07355	1.4
95.04957	41.9
95.08593	38.3
97.02878	20.6
97.06512	14.2
97.10173	8.4
98.09679	1.3
99.04425	3.2
99.08080	6.4
101.02349	1.3
103.03876	1.4
103.05471	2.6
105.04508	2.1
105.07018	82.2
107.04940	14.3
107.07864	2.3
107.08583	39.6
109.02856	3.6
109.06499	12.3
109.10140	16.6
111.04408	5.0
111.08061	15.2
113.05980	2.9
113.09642	1.1
115.03908	1.3
115.05469	4.0
116.06238	2.0
117.07000	20.9
119.08565	68.3
121.06512	5.6
121.10124	31.8
123.08060	8.1
123.11674	4.8
125.06020	1.8
125.09651	5.1
127.03902	8.8
127.07529	1.9
128.06203	4.2
129.05537	5.9
129.06987	26.6
130.07784	1.2
131.08548	45.5
133.06517	5.8
133.10115	51.7
135.08057	5.8
135.11684	15.8
137.09598	5.1
139.03902	1.3
141.06953	2.9
142.07762	6.5
143.08539	8.8
145.04965	6.7
145.06458	1.3
145.10106	24.4
147.08046	6.1
147.11668	49.8
149.09607	17.6
149.13228	16.6
151.07439	1.4
151.11159	3.6
155.08534	4.5
157.08789	1.6
157.10112	26.1
158.10535	1.1
159.11664	20.9
161.09586	2.3
161.13232	19.0
163.05988	3.4
163.11139	10.6
163.14821	3.2
165.09064	2.1
165.12772	5.2
167.08563	1.9
169.10101	4.0
171.10226	2.2
171.11638	13.8
172.12019	1.1
173.04439	1.8
173.09596	1.6
173.11850	1.4
173.13237	9.6
175.11159	20.2
175.14796	7.0
177.12714	4.4
179.14323	2.6
179.42981	1.1
181.09975	2.5
181.12209	1.2
183.11700	5.0
185.13243	7.5
187.11162	1.1
187.14790	2.2
189.11151	3.2
189.12703	2.2
191.10529	1.3
191.14397	1.4
193.12219	68.6
194.12434	1.4
195.11827	2.2
195.13791	6.9
197.13251	2.6
199.14839	4.5
201.12613	2.5
201.16304	1.5
203.14320	1.6
209.13322	1.8
211.13251	89.2
212.13647	1.8
213.12868	1.0
213.16356	2.5
215.17860	1.5
217.15752	1.9
227.12704	5.3
229.14348	3.3
229.19466	1.9
231.17355	1.3
231.20993	3.1
235.14832	1.5
239.17914	3.2
241.19508	15.8
243.12167	1.7
244.21175	1.1
247.20349	1.2
249.14879	1.4
257.18927	7.8
259.20544	46.1
260.20953	1.3
261.14917	1.5
267.13010	1.9
267.15891	38.7
268.16360	1.4
269.17410	23.3
275.20065	19.8
277.21744	1.6
283.15436	2.7
283.20404	1.7
285.16928	85.5
286.17291	2.5
293.21274	1.8
299.23593	1.3
303.15793	1.2
313.21304	1.1
315.23218	4.0
331.22635	3.4
333.24213	39.6
333.28229	2.3
339.23157	1.2
345.24344	1.1
349.23828	10.5
356.23239	1.3
357.23898	1.1
369.24002	2.0
378.69412	1.1
389.26764	1.0
390.43002	1.1
413.21552	2.0
415.29703	1.8
421.25958	1.8
423.32510	2.5
433.30838	5.3
437.24969	1.4
439.26779	2.6
451.32104	6.5
461.28970	15.3
469.32813	2.1
473.29141	1.5
479.29956	40.5
480.30280	1.8
491.29489	1.6
507.34662	2.1
515.37323	2.3
525.35681	23.3
526.35907	1.6
541.35370	5.4
543.36755	57.3
544.36823	2.4
559.36310	9.1
561.37805	2.4
577.37573	1.4
669.40369	1.3
686.98505	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.515
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	5.2
67.05499	75.9
69.03432	15.9
69.07058	31.4
69.19125	7.5
69.19550	19.5
71.04987	11.5
71.08596	2.5
73.02896	6.2
79.05484	91.1
81.02926	3.7
81.03408	78.8
81.07046	91.1
82.07391	2.1
83.04970	27.3
83.08615	28.6
85.02894	45.6
85.06535	4.7
91.03961	11.4
91.04897	5.2
91.05469	100.0
92.89965	2.1
93.07033	81.5
95.04948	37.6
95.08593	48.4
97.02880	16.8
97.06523	17.5
97.10156	7.0
98.21532	5.5
99.04496	2.2
99.08073	4.1
103.05436	3.9
105.04523	2.6
105.07021	93.3
107.04932	16.1
107.08577	42.3
109.02916	3.8
109.06519	10.7
109.10149	16.1
111.08075	17.2
115.05456	6.0
117.07011	27.3
119.08560	69.6
121.06483	5.2
121.10123	28.5
123.08068	7.4
123.11707	2.6
124.99068	2.0
125.09618	2.8
127.03910	6.8
128.06235	6.3
129.05498	3.2
129.06984	27.0
131.08543	45.0
133.06445	4.5
133.10114	52.0
135.08037	4.5
135.11673	15.4
135.57281	2.8
137.09653	4.1
139.03905	2.4
139.18300	2.1
141.06950	3.5
142.07751	4.7
143.08568	9.1
145.04948	5.7
145.06433	4.0
145.10078	24.1
147.08089	5.0
147.11673	41.2
149.09627	11.5
149.13242	15.3
151.11140	2.2
155.08525	6.7
156.09305	2.4
157.10098	25.1
159.11661	22.2
161.13246	16.7
163.06088	3.2
163.11180	7.1
165.12747	3.7
169.10077	3.4
171.11682	13.0
173.11887	2.2
173.13255	10.0
175.11142	17.1
175.14799	6.4
177.05580	2.2
177.12743	4.4
181.10139	3.4
183.11711	4.6
185.13261	8.2
187.14857	2.3
189.11189	3.3
191.10741	2.5
193.12213	44.9
193.13898	3.7
195.13809	4.2
199.14824	4.4
203.14244	2.4
211.13260	60.4
227.12776	3.7
231.21080	3.4
241.19539	15.9
257.19055	4.7
259.20535	47.7
267.15851	23.5
269.17456	22.8
270.34335	2.5
275.20129	17.8
285.16913	51.5
315.23343	4.1
331.22867	2.5
333.24243	36.4
349.23645	7.5
363.22330	2.5
421.25708	3.4
433.30948	4.6
461.28979	17.0
479.30005	25.5
480.30206	2.8
510.06665	2.7
525.35791	19.9
543.36731	58.4
544.36951	3.6
559.35876	7.7
578.59656	2.5
783.65430	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	937.5845
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	1.8
69.03421	3.2
69.07044	0.7
70.13118	1.1
71.01340	0.4
71.04985	0.5
71.08629	1.1
73.02917	3.8
79.05497	0.9
81.03426	1.2
81.07050	2.1
83.08627	0.5
85.02898	5.1
87.04460	0.3
91.03935	3.1
91.05467	0.9
93.07032	1.4
95.08591	1.8
97.02887	4.8
98.21459	0.3
99.04462	0.9
101.02368	1.8
103.03976	0.3
104.99268	1.8
105.07048	0.4
107.08575	0.8
109.02840	0.8
109.10149	0.6
115.03981	0.3
119.08548	0.4
121.10143	0.6
122.67523	0.3
127.03915	1.6
145.04907	0.3
185.04248	1.1
186.99568	0.7
201.03728	0.2
203.05339	1.0
243.08380	1.9
254.74675	0.3
268.99893	0.9
286.98947	0.3
313.27432	0.4
335.25751	0.5
347.09360	2.6
365.10757	1.1
405.13647	6.1
416.96075	0.3
433.00745	0.3
448.88928	0.3
497.23489	0.5
497.30502	3.3
497.36777	0.3
518.18329	0.3
519.29254	5.4
659.36102	4.1
681.34448	6.7
682.34875	0.5
775.53259	1.3
937.58472	100.0
938.58832	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	947.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91060	0.5
67.05219	0.5
67.05502	5.5
68.99783	1.6
69.03426	1.1
69.07050	1.6
70.06611	0.6
71.00217	0.5
71.01355	0.5
71.04956	0.7
71.52746	0.5
71.53231	0.7
77.03948	0.5
79.05496	5.3
79.57832	0.4
80.24335	0.5
81.03404	8.6
81.07043	6.1
83.04967	3.2
83.08611	3.5
85.02903	3.6
91.05467	6.7
93.03365	0.8
93.07038	3.4
95.04961	5.4
95.08578	2.5
97.02886	1.9
97.06506	0.6
97.10152	0.9
98.75857	0.4
103.05486	0.7
105.07015	3.5
107.04928	2.0
107.08583	2.1
109.02821	0.9
109.06510	1.2
109.10147	1.1
111.04440	6.5
111.08070	1.5
115.05441	0.9
117.06998	0.8
119.04941	1.4
119.08546	3.1
121.02856	1.5
121.06482	1.0
121.10138	1.7
123.04411	5.8
127.03893	1.5
129.06987	1.9
131.04927	0.9
131.08559	1.9
131.39632	0.5
133.06494	0.9
133.10121	2.2
135.04387	2.2
135.11726	0.9
137.05963	2.1
139.03889	100.0
140.04240	1.7
141.05469	1.2
141.06989	0.7
145.02808	1.0
145.06476	1.0
145.10085	0.8
147.04425	2.9
147.08054	0.7
147.11659	1.9
149.05978	2.1
149.09596	0.9
151.03885	7.5
153.05476	1.6
153.07013	1.0
157.10120	1.9
161.05981	4.7
163.03889	38.3
163.07529	1.4
163.11267	0.7
164.04353	0.6
165.05496	1.8
165.06903	0.7
167.07019	2.0
167.08369	0.8
169.06445	0.7
171.08026	0.7
172.58830	0.6
173.05972	8.7
175.03889	2.3
175.07555	2.1
175.11176	1.9
177.05441	5.5
179.03386	1.5
179.07013	0.7
181.04965	4.6
181.06479	1.4
181.10162	0.6
183.08040	0.9
185.05989	1.1
187.03925	2.3
187.07492	6.3
189.05481	2.4
191.06996	0.8
193.12256	6.4
195.07993	1.4
197.05983	1.4
198.06795	1.0
199.07526	4.6
201.05478	2.1
201.09113	1.5
205.04947	7.7
205.08449	0.6
207.06427	1.1
211.07582	3.2
211.13266	9.6
212.19492	0.5
213.05516	1.9
213.09087	1.8
215.07021	1.8
217.04999	1.6
223.07593	1.5
225.09128	1.0
227.06969	1.5
227.12828	0.7
229.05019	1.5
235.06050	1.6
236.08415	0.6
237.09062	0.7
247.06007	1.3
249.09149	0.8
251.10849	0.6
265.06979	1.1
267.15915	3.9
269.15417	0.9
283.06177	0.4
283.08206	4.3
283.15372	0.8
285.10031	0.7
285.17014	10.2
295.05988	1.4
297.14825	0.8
299.16437	0.8
301.09143	8.1
308.06683	1.1
309.07703	0.7
309.14810	0.7
311.16412	0.8
313.07132	0.6
313.14352	0.7
315.15900	4.7
317.08026	0.6
321.15073	0.7
323.16412	0.7
325.14432	1.3
327.15891	2.9
339.15848	3.1
341.17535	0.9
359.18567	0.9
389.19717	2.6
401.19370	1.2
409.15994	0.5
413.19431	1.0
421.16516	2.8
429.16739	0.7
447.17932	4.9
459.25821	0.7
465.19077	3.2
503.20950	1.0
513.26532	0.8
521.21649	0.8
539.22656	1.6
551.29871	1.1
566.05408	0.6
569.31378	1.0
581.30951	1.9
593.30603	1.9
599.32520	1.7
605.31451	0.7
611.32330	3.1
623.31976	1.5
641.32977	0.9
705.32147	2.0
713.32770	1.4
723.33289	1.3
731.33679	3.5
749.35120	3.1
767.36206	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6135
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	47.5
69.03422	1.6
69.07061	12.7
71.04951	1.7
71.26337	1.6
71.26656	1.0
73.02896	4.2
79.05062	1.9
79.05487	29.5
79.55154	1.2
81.03403	1.3
81.07048	52.2
83.04977	1.1
83.08617	7.5
85.02902	16.5
85.06519	3.2
91.03953	10.0
91.05473	19.3
93.07033	40.1
93.43926	1.1
95.04935	4.2
95.08595	46.0
97.02893	7.5
97.06498	2.6
97.10146	3.3
105.07021	17.5
107.08589	23.7
109.10142	19.9
117.06998	6.3
119.08563	13.7
121.10123	20.0
123.08109	1.5
123.11714	7.8
127.03893	3.9
129.06963	1.6
131.08551	12.4
133.10120	15.2
135.11673	15.4
137.13249	2.7
142.92578	1.5
143.08536	2.5
145.04945	6.5
145.10103	11.5
147.11659	10.5
148.34589	1.1
149.13222	10.4
157.10071	2.0
159.11655	10.3
161.13249	9.6
163.06021	6.7
163.14784	3.4
171.11655	2.9
173.13237	7.7
175.14778	2.1
177.16444	1.9
185.13237	2.4
187.14774	3.7
199.14784	2.1
201.16270	1.6
213.16524	1.4
215.18036	1.3
231.20929	1.2
233.18875	1.6
233.22697	1.3
241.19479	4.0
243.21034	6.3
259.20584	9.6
261.22144	19.9
263.23572	1.7
317.24753	3.8
333.24234	8.0
335.25769	100.0
336.26038	4.0
337.27319	15.3
338.27719	1.4
456.55289	1.1
521.43134	2.9
595.47211	14.2
596.47412	1.9
613.38800	1.7
613.48126	20.7
614.48413	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	954.6135
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	58.5
68.05836	0.6
69.03436	3.1
69.07063	13.4
69.82352	3.2
71.04963	2.0
71.08602	0.8
72.75053	0.5
73.02908	4.7
77.03911	0.7
78.04701	0.6
79.05483	35.0
80.06246	0.5
81.03403	1.9
81.07047	62.3
83.04952	1.5
83.08607	7.4
85.02898	18.0
85.06519	1.2
91.03947	11.4
91.04892	1.1
91.05468	24.6
93.07033	47.8
95.04958	3.7
95.08596	52.8
97.02886	9.2
97.06535	3.1
97.10175	3.6
99.04453	0.9
99.08073	1.1
103.05496	0.7
105.06305	0.6
105.07018	18.5
107.08579	25.8
109.02906	0.9
109.06509	1.5
109.10147	21.4
111.08070	1.7
111.11729	0.6
115.03922	0.9
117.07009	7.7
119.08569	16.5
121.10131	22.0
123.08073	1.1
123.11698	9.0
125.09615	0.6
127.03930	4.2
127.11153	0.5
129.06985	2.1
130.07759	0.6
131.07585	1.0
131.08554	15.1
133.10117	15.8
135.11679	15.5
137.09592	1.1
137.13232	2.3
141.73044	0.6
143.08531	2.3
145.04933	5.4
145.10103	10.4
147.11665	12.5
149.09590	1.2
149.13245	9.4
151.11176	0.6
151.14764	1.0
157.10117	2.2
159.11682	10.7
161.13242	8.4
163.06007	7.0
163.14807	3.8
165.12672	0.8
165.16373	0.6
167.14214	0.5
171.11658	3.0
173.13248	9.1
175.14806	3.9
177.16356	2.4
183.11642	0.7
185.13251	2.6
187.14798	3.6
189.16354	1.1
191.14368	0.5
197.13203	0.6
199.14784	1.6
201.16406	1.7
203.17850	1.2
205.15863	0.6
213.16429	0.8
213.91760	0.5
215.17973	0.9
217.19476	1.1
219.17413	0.7
227.17975	0.7
231.21062	1.4
233.22649	0.5
241.19693	3.1
243.21095	5.7
245.22723	0.9
257.18848	0.7
259.20526	9.3
260.21317	0.6
261.22107	19.9
262.22415	0.7
263.23730	2.2
273.22244	0.5
275.23679	0.5
277.21558	0.8
279.23111	1.1
285.22183	0.5
287.23648	0.8
289.21494	0.6
299.23627	0.9
301.25406	0.6
315.23270	0.9
315.26721	0.8
317.24783	3.5
322.49277	0.7
333.24200	9.0
335.25763	100.0
336.25986	3.6
337.27335	14.3
355.30118	0.5
369.23901	0.5
386.40485	0.5
436.96497	0.6
441.72729	0.6
491.36923	0.7
503.36655	0.6
503.42953	0.6
505.38803	0.9
517.39252	0.6
521.43683	3.2
539.43665	1.0
543.40601	1.2
592.08813	0.6
595.47131	17.8
596.47644	1.2
613.48187	23.1
734.14545	0.7
834.66028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6191
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05135	2.3
67.05494	42.6
69.03399	9.6
69.07064	24.8
70.35509	2.0
71.04991	4.2
71.08620	24.1
73.02923	4.6
79.05488	31.3
81.03418	11.2
81.07040	62.7
83.04964	9.2
83.08614	16.9
85.02899	12.7
85.10160	15.3
89.06041	2.9
91.03952	4.7
91.05458	25.5
93.07035	32.7
95.04953	8.0
95.08593	36.3
97.02866	6.3
97.06507	11.5
97.10146	10.5
97.44923	1.8
99.04455	2.1
105.07005	20.7
107.04954	5.3
107.08585	20.3
109.02837	4.6
109.06530	3.8
109.10148	18.5
111.04426	2.4
111.08112	2.3
117.07006	11.5
119.08566	16.5
121.06498	3.6
121.10132	12.3
123.08066	4.3
123.11697	7.0
125.09564	2.3
127.03897	3.6
129.07018	3.0
131.08568	16.9
133.06485	3.1
133.10124	12.1
135.08090	3.4
135.11668	10.9
137.09648	3.2
139.11122	2.8
142.07773	2.7
143.08536	2.6
145.04933	3.5
145.10106	9.0
147.11679	7.1
149.09613	8.9
149.13206	9.3
157.10139	4.8
159.11687	8.1
163.11183	6.5
173.13274	3.2
177.12671	4.6
179.14211	2.2
195.13809	2.9
229.14359	2.3
229.19403	3.1
229.51936	2.3
239.23712	2.8
247.20531	2.5
255.15883	14.1
257.19019	6.1
263.47427	2.1
269.17462	35.0
275.20044	22.3
293.20975	3.6
310.93344	2.2
313.27325	100.0
331.22485	2.9
349.23700	29.4
367.24832	2.9
387.67926	2.2
413.21265	2.5
493.38736	18.3
507.40387	92.9
508.40686	2.4
540.21790	2.2
547.43268	5.8
587.46674	38.5
605.47876	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	986.6039
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	7.1
69.07062	26.0
69.22523	15.0
71.04990	3.4
73.02901	2.9
77.03876	2.7
79.05483	59.7
81.03403	11.5
81.07047	83.4
83.04965	12.2
83.08607	12.3
85.02912	12.0
85.06519	2.8
91.03938	3.0
91.05470	44.9
93.07036	67.5
95.04955	10.2
95.08603	58.3
97.02862	8.2
97.06522	11.7
97.10159	8.0
98.20765	2.8
99.04441	2.6
103.05402	2.2
105.04491	2.2
105.07011	39.9
107.04928	6.6
107.08583	44.7
109.02885	3.0
109.06501	5.9
109.10150	25.1
110.42874	1.8
111.08035	5.6
117.06994	16.9
119.04891	1.9
119.08568	25.7
121.06506	3.5
121.10139	24.4
123.08054	5.3
123.11680	6.0
125.09617	5.7
127.03885	4.7
128.06161	1.8
129.06973	4.3
131.08548	26.6
133.10123	21.8
135.08046	4.4
135.11674	20.4
137.09564	2.3
139.03835	1.8
143.08533	5.5
145.04903	3.9
145.10110	17.2
147.08083	1.9
147.11687	11.7
149.09634	10.4
149.13269	13.5
157.10118	5.3
159.11691	15.1
161.13243	7.5
163.06026	2.1
163.11159	5.5
163.12584	1.4
169.10149	3.1
171.11681	5.7
173.04466	3.8
173.11948	1.7
173.13232	8.9
175.14819	3.7
176.34355	1.6
177.12769	4.0
183.11693	2.8
185.13219	2.7
187.11189	1.9
187.14839	3.5
189.11229	2.7
189.12782	2.0
195.11797	2.4
195.13759	3.7
199.01979	1.6
213.14819	1.7
227.12767	8.1
229.14291	5.3
229.19484	2.0
239.17810	3.9
243.21065	4.9
255.15952	5.4
257.18985	7.0
259.20532	2.3
261.22165	11.1
261.59741	1.6
269.17487	19.4
275.20071	21.7
317.24588	2.1
327.23450	1.6
331.22568	3.4
333.24167	2.3
335.25760	100.0
336.26111	3.7
349.23630	27.8
367.24704	4.0
489.35205	2.4
511.37506	2.4
513.38464	1.9
515.37286	17.8
529.38861	67.9
530.39105	3.7
569.41589	5.6
582.78876	1.8
609.45135	42.0
610.44971	3.6
627.45935	12.1
673.43317	3.4
761.36597	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6036
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	5.8
69.07057	23.0
69.63593	4.8
69.64024	7.5
71.04963	4.0
73.02895	2.0
79.05482	62.7
81.03410	9.2
81.07045	85.2
83.04962	7.8
83.08615	12.2
85.02883	7.6
91.03946	6.1
91.05470	40.6
93.07030	70.3
95.04963	11.8
95.08589	44.7
95.09173	3.1
97.02881	8.4
97.06509	12.7
97.10151	5.5
98.21474	3.5
99.08101	1.7
105.07018	31.6
107.04940	5.6
107.08574	36.8
108.08789	1.5
109.06487	5.0
109.10136	17.2
111.04370	1.8
111.08064	5.3
115.05457	1.8
117.06983	14.3
119.08584	20.7
121.06553	2.4
121.10123	21.0
123.08060	3.2
123.11710	8.3
125.09617	3.8
127.03918	5.6
129.06963	3.1
131.08556	20.5
133.06529	2.3
133.10112	22.9
135.08025	2.9
135.11667	17.2
137.09586	2.1
142.99040	1.7
143.08533	4.5
145.04941	1.9
145.10078	15.6
147.11679	10.9
149.09583	7.2
149.13261	11.6
151.11192	2.2
155.08517	2.4
157.10115	4.1
159.11696	15.1
161.09535	2.1
161.13193	6.2
163.11165	4.5
163.14813	4.4
169.10095	3.5
171.11674	4.1
173.04457	3.1
173.13211	6.7
177.12703	3.8
183.11646	2.9
185.13156	1.9
187.14830	2.8
189.11343	1.8
189.16331	2.1
195.13820	5.5
227.12680	4.0
229.19524	2.7
239.17828	2.4
243.20959	3.8
255.15872	6.2
257.18954	6.3
259.20435	2.6
261.22122	9.5
267.15976	3.7
269.17426	31.1
275.20065	23.1
293.21210	2.1
309.20486	2.4
317.24796	4.7
333.24176	2.5
335.25751	100.0
336.26013	4.1
349.23730	23.2
367.24725	4.3
437.34042	2.5
463.37247	1.7
489.35861	2.0
511.37955	2.4
515.37274	19.7
529.38879	95.7
530.39075	3.8
569.41852	7.6
609.44983	35.3
610.45459	2.1
627.46136	12.9
771.49683	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	986.6039
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07043	8.5
69.25595	2.5
70.16933	2.1
71.04942	2.4
71.16985	2.1
71.52983	3.9
72.62534	2.2
79.05484	26.6
81.07045	28.2
83.04941	3.0
83.08601	6.8
85.02892	3.4
89.06012	2.2
91.03942	5.1
91.05466	26.5
92.88116	2.4
93.07025	31.1
95.04957	5.1
95.08598	22.9
97.02863	5.3
97.06522	2.9
97.10186	3.8
105.07009	30.6
106.34998	2.2
107.08570	14.6
109.10124	9.4
115.05480	3.1
117.07001	14.6
119.08569	18.1
121.10117	14.5
123.11707	3.3
127.03893	2.5
128.06247	2.6
129.07008	15.4
131.08578	18.5
133.10104	14.9
135.11649	8.9
143.08575	12.5
145.10114	14.9
147.08063	3.2
147.11626	9.7
149.13268	3.2
155.08513	6.8
157.10101	10.1
159.11661	9.9
161.13199	5.9
163.05992	4.1
167.08485	3.8
169.10132	6.4
171.11650	11.5
173.13269	7.7
175.14754	2.7
181.10138	4.1
183.11678	6.8
185.13234	7.0
187.14909	4.2
195.11708	9.1
197.13234	5.6
199.14854	4.4
207.11664	3.6
209.13254	5.4
211.14796	5.0
213.16403	3.6
221.13196	4.4
223.14728	3.5
225.16408	3.0
237.16451	3.1
239.17824	3.2
241.19499	3.4
257.19159	3.3
259.20441	3.0
260.20810	2.3
333.24228	5.8
446.74875	2.7
517.40381	7.9
535.40967	7.9
539.37201	3.6
591.43506	9.6
609.45117	100.0
639.91608	2.5
771.50293	9.9
794.80841	3.0
804.02301	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	995.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03411	1.6
69.07040	2.1
70.39407	0.3
71.01339	0.4
73.02896	0.4
79.05482	8.1
81.03392	1.3
81.06576	0.8
81.07042	9.3
83.01307	0.4
83.04960	1.7
83.08598	1.6
85.02892	1.5
85.06513	0.5
86.10259	0.3
91.04903	0.5
91.05470	9.6
93.03400	1.3
93.06468	0.7
93.07027	8.0
95.04971	3.0
95.08598	7.0
97.02871	1.8
97.06519	1.0
97.10156	1.2
97.94080	0.3
98.20685	0.5
99.04438	0.4
99.08038	0.3
103.05450	1.0
105.04504	0.5
105.07018	7.7
107.04935	1.5
107.08582	4.8
109.02895	0.9
109.06516	0.6
109.10151	3.0
111.00764	0.4
111.04427	5.5
115.05428	1.4
117.07016	3.3
119.08564	5.9
120.10715	0.3
121.02846	1.1
121.06501	0.8
121.10132	3.3
123.04410	6.6
123.05225	0.7
123.08028	0.6
123.11676	0.7
123.50693	0.4
125.02358	0.5
125.05924	0.5
126.56535	0.4
127.03884	2.5
128.06195	0.6
129.07007	2.4
131.04936	1.0
131.08546	4.3
133.06502	0.9
133.10097	3.8
135.04401	3.5
135.08031	0.6
135.11700	2.4
137.02271	0.5
137.05965	2.0
137.09642	0.4
139.03885	100.0
140.04216	1.3
141.05453	1.9
141.06975	1.5
143.04875	0.4
143.08551	2.1
145.06470	1.8
145.10104	3.3
147.04393	2.4
147.11664	3.6
149.05951	3.1
149.09517	0.5
149.13248	0.7
151.03885	24.7
151.07533	0.8
152.04298	0.5
152.06168	0.4
153.05455	10.1
153.06940	1.3
155.04861	0.8
155.08521	1.0
157.06448	1.8
157.10094	1.8
159.04358	0.6
159.08145	0.6
159.11676	2.4
161.05963	7.6
161.13266	1.9
163.03885	30.4
163.07529	1.6
163.11215	0.6
165.05461	3.4
165.06906	0.9
167.03372	0.5
167.07033	0.6
167.08577	1.2
169.05070	0.7
169.06476	1.8
169.10089	0.5
171.04355	0.5
171.08076	0.9
171.11673	1.6
173.05966	13.2
173.13266	1.3
175.03902	4.1
175.07545	2.7
175.14752	0.5
177.05446	9.7
177.06892	0.7
177.09186	0.4
179.03310	0.7
179.07025	2.8
179.08452	0.7
181.04944	3.5
181.06491	2.0
183.08034	1.2
183.11630	0.5
185.05931	1.9
185.13176	0.8
186.06682	0.5
187.03973	1.8
187.07513	8.2
189.05438	3.7
189.09081	0.9
191.03461	0.9
191.07123	1.9
193.04913	1.4
193.06621	0.6
193.08568	2.7
195.08115	1.3
195.11737	0.5
197.05960	2.7
197.09624	0.7
198.06686	0.7
198.15555	0.4
199.07523	5.7
199.14896	0.7
200.04718	0.7
201.05438	3.6
201.09059	2.7
203.06940	2.5
205.04936	10.2
205.08600	1.1
207.06424	0.5
207.08173	0.7
207.10059	0.8
209.05992	0.7
209.09607	0.6
210.06732	0.6
211.07538	4.1
213.05441	3.8
213.08966	3.2
213.16306	0.5
215.07039	2.9
215.10583	0.5
217.04987	2.2
217.08592	1.2
219.10124	10.1
221.09683	0.5
221.11635	0.8
223.07516	2.3
225.05470	0.5
225.09082	2.2
226.06256	0.4
227.07033	2.3
227.10655	1.1
229.04996	2.1
229.08479	0.8
231.06454	0.7
231.10219	1.4
235.05852	2.1
236.08586	0.4
237.09096	1.2
239.06995	0.9
239.10738	0.8
241.05136	0.5
241.08609	1.3
241.19542	2.4
243.06419	0.6
243.10165	1.4
245.07874	0.5
245.11687	0.6
247.05992	1.6
247.13184	0.8
249.09116	0.7
253.12218	0.5
253.17899	0.8
255.10143	0.7
255.13841	0.6
257.18954	0.9
259.20544	4.6
261.08932	0.5
261.22040	0.4
265.06967	1.1
265.12061	0.7
267.09982	0.4
267.13733	1.0
269.15314	0.8
271.13312	0.6
271.20636	0.6
275.12973	0.5
277.21701	0.5
279.06619	0.6
279.13800	0.6
281.15460	0.6
283.08109	5.1
283.13062	0.7
285.11191	1.1
285.14725	0.6
287.16333	0.7
291.13519	0.5
293.15244	0.4
295.06006	2.1
295.09262	0.4
297.07245	0.4
297.14795	1.2
299.16458	1.0
301.09143	8.5
301.14395	0.8
303.16037	0.4
308.06653	0.6
309.07562	1.4
313.07065	0.7
313.14630	0.9
315.12515	0.7
315.15878	4.8
317.07910	0.8
319.06061	0.7
321.07581	0.8
325.14304	1.8
327.15857	3.5
333.07571	0.5
333.24203	5.8
335.09195	0.6
335.25690	1.0
339.15927	2.7
341.17554	0.9
343.15732	0.6
345.07635	0.7
357.17020	0.8
359.18326	1.4
371.18384	0.6
389.19620	1.6
393.24515	0.5
397.23654	2.0
399.18085	0.8
399.25378	0.6
401.19534	1.2
409.23724	0.7
419.20547	0.8
421.16245	0.8
421.23587	0.8
435.18079	0.5
445.16599	0.8
445.23300	0.5
447.18112	2.3
453.26126	0.8
459.18295	0.5
463.17218	1.0
465.19028	1.6
465.25830	0.6
521.21838	0.9
537.21106	0.5
539.22473	0.6
555.34003	0.4
567.33429	0.6
579.33832	0.7
601.27075	0.6
629.37964	0.7
635.38617	1.0
647.39178	1.7
659.39252	2.2
665.40765	0.8
671.39075	1.6
675.30304	1.9
677.40466	2.0
689.40222	1.2
693.32001	1.8
705.37195	0.9
723.38928	0.5
771.41052	2.9
779.40692	0.8
787.43488	1.1
797.42474	9.8
798.42804	0.8
815.43604	13.7
816.43445	1.4
821.42725	1.0
833.44257	1.0
839.42126	0.9
863.42944	0.7
881.44122	1.0
893.41559	0.5
959.46448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	0.4
69.07065	1.7
69.86420	0.6
69.86835	0.8
70.75089	0.2
71.04991	0.2
77.39532	0.2
79.05058	0.4
79.05488	6.0
81.03436	0.7
81.06574	0.5
81.07044	7.0
82.84431	0.3
83.04987	1.6
83.08602	0.9
85.02905	1.3
91.05478	3.8
93.03384	1.2
93.07030	5.2
95.04961	1.5
95.08598	6.2
97.02876	0.9
97.06528	0.4
97.10159	0.6
103.05486	0.4
105.07026	2.5
107.04938	0.8
107.08578	3.1
109.02889	0.5
109.06483	0.4
109.10138	1.8
111.00743	0.3
111.04428	6.4
115.05447	0.8
117.07005	1.3
119.08560	1.7
121.02872	1.1
121.06477	0.7
121.10132	2.4
123.04426	3.8
123.11671	0.7
125.09605	0.5
127.03900	1.2
128.06241	0.6
129.07011	0.8
131.04884	0.8
131.08595	1.5
133.06447	0.3
133.10110	1.3
135.04420	2.6
135.11700	1.5
137.05978	0.7
139.03886	100.0
140.04160	1.3
141.05429	0.9
141.06990	0.7
143.04874	0.3
145.06474	1.2
145.10109	1.3
147.04379	1.0
147.11649	1.0
149.05949	2.5
149.13231	0.5
151.03883	7.3
153.05556	1.2
153.06970	0.9
155.08446	0.4
157.06491	1.0
157.10127	0.4
159.11678	0.7
161.05977	4.9
161.13254	0.7
163.03886	28.8
163.14807	0.3
164.04239	0.5
165.05472	1.5
165.06979	0.6
167.08623	0.7
169.04971	0.3
169.06464	0.8
171.07935	0.4
173.05963	9.8
173.13281	0.6
174.06488	0.3
175.03922	1.1
175.07571	1.6
175.14825	0.4
176.04649	0.3
177.05457	5.0
179.03429	1.7
179.06972	0.4
181.04936	4.6
181.06500	1.3
183.08014	0.5
185.06015	1.0
187.03915	1.7
187.07516	5.5
187.09174	0.4
189.05457	2.1
189.09064	0.5
191.06975	0.7
193.04895	0.6
193.06477	0.5
195.06494	0.4
195.08095	1.2
197.06000	1.4
198.06790	0.3
199.07524	4.6
200.04662	0.3
201.05473	2.3
201.09146	1.3
203.06953	0.6
205.04942	11.0
207.07967	0.3
209.05937	0.3
209.09607	0.3
210.06798	0.6
211.07533	2.4
212.08185	0.3
213.05461	1.6
213.09045	2.0
215.07043	0.8
217.04944	1.3
219.06401	0.4
223.07492	1.3
225.09067	1.0
226.06407	0.4
227.06999	1.0
227.10562	0.7
229.04993	2.3
229.08577	0.6
235.05890	2.4
237.09035	0.9
239.10550	0.4
241.08580	0.3
243.21140	0.4
247.05914	2.3
249.09163	0.3
251.06996	0.5
251.10565	0.4
251.14407	0.3
259.05994	0.3
259.20557	0.9
261.22101	1.6
263.10110	0.3
265.07007	1.4
265.12247	0.4
267.06558	0.3
267.13971	0.5
269.15341	0.7
271.05878	0.4
273.14911	0.3
279.06378	0.5
279.13760	0.6
281.15356	0.3
282.05295	0.3
283.05692	0.4
283.08191	5.0
285.15042	0.5
287.16449	0.6
293.08157	0.4
295.06006	1.8
297.07666	0.4
297.14893	0.9
299.16324	0.7
301.09137	9.0
303.06628	0.4
308.06763	1.0
309.07498	1.0
309.14847	0.5
311.08984	0.3
311.16519	0.4
311.20868	0.3
313.07001	1.3
315.15906	4.8
321.07632	0.8
321.14651	0.6
322.08545	0.4
323.09030	0.5
323.16296	0.4
325.10352	0.3
325.14279	1.3
327.15872	2.9
333.24283	0.5
335.09161	0.8
335.25763	17.1
336.26117	0.7
337.18143	0.3
337.27249	0.4
339.15952	2.0
341.17374	0.5
353.17358	0.4
359.18512	0.8
381.16998	0.4
383.18005	0.3
386.48038	0.3
389.19553	2.2
399.17880	0.5
401.19513	1.2
413.19879	0.5
421.16306	3.0
429.16812	0.4
445.16577	0.3
447.18094	4.5
465.18964	3.5
471.17560	0.3
483.19489	0.4
489.19824	0.5
495.20215	0.8
503.20728	0.4
513.19940	0.4
521.21667	1.7
527.34436	0.3
535.16766	0.3
539.22577	2.0
563.22418	0.3
614.43915	0.3
619.39496	0.5
645.75549	0.3
647.38922	0.4
649.40576	2.2
661.40637	1.7
673.40729	0.9
677.40497	1.1
679.42059	1.2
691.41638	0.7
755.41675	0.4
773.42279	1.7
781.42407	0.6
799.43884	4.2
817.45056	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	997.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	0.6
69.07068	1.6
69.95358	1.1
71.01360	0.3
71.04993	0.3
77.03935	0.2
79.01845	0.3
79.05489	6.9
81.03422	0.6
81.07047	6.5
81.07519	0.4
82.86354	0.2
83.04975	1.6
83.08605	1.1
85.02890	1.1
85.06535	0.6
90.76186	0.2
91.05476	4.4
93.03397	1.2
93.07037	6.0
95.04961	1.6
95.08602	5.2
97.02860	1.0
97.06579	0.2
97.10185	0.6
98.21400	0.2
103.03938	0.2
103.05482	0.5
105.07019	2.8
107.04950	1.1
107.08588	2.9
109.02854	0.5
109.06498	0.4
109.10139	2.4
111.00784	0.4
111.04436	5.3
115.05446	0.6
117.07014	1.4
119.08552	1.7
121.02868	0.9
121.06489	0.6
121.10133	2.3
123.04419	4.1
123.08073	0.2
123.11720	0.8
125.09605	0.3
127.03879	1.0
128.06238	0.3
129.07018	0.8
131.04849	1.0
131.08556	1.6
133.06482	0.5
133.10129	1.6
135.04396	2.4
135.11690	1.4
137.05930	0.6
137.13210	0.3
139.03889	100.0
140.04245	1.5
141.05501	1.0
141.06978	1.0
143.04881	0.4
143.08615	0.3
145.06490	0.9
145.10092	1.0
147.04396	1.0
147.11693	1.1
149.02312	0.2
149.05974	2.4
149.13252	0.6
151.03891	8.6
151.05119	0.4
153.05499	1.2
153.06940	1.1
155.04866	0.3
155.08517	0.6
157.06479	1.2
159.04419	0.5
159.11681	0.7
161.05965	5.5
161.13217	0.6
163.03891	35.1
163.07535	0.7
163.14763	0.3
164.04205	0.4
165.05461	1.4
165.07001	0.7
167.08536	1.0
169.05165	0.2
169.06488	0.9
171.08064	0.4
173.05974	10.6
173.13191	0.6
175.03891	0.9
175.07521	1.5
175.14813	0.3
176.04663	0.5
177.05457	6.3
179.03357	1.6
179.07039	0.2
179.08524	0.3
181.04941	5.1
181.06467	1.5
181.10107	0.3
183.08011	0.6
185.05994	1.0
185.09538	0.3
185.13202	0.2
186.06693	0.3
187.03905	1.8
187.07515	5.6
187.14824	0.3
189.05486	1.8
189.09055	0.2
191.03320	0.3
191.07027	0.7
191.08557	0.3
193.04930	0.5
193.06497	0.4
194.07358	0.3
195.06432	0.4
195.07982	1.0
197.05991	1.7
197.09605	0.4
198.06670	0.4
199.07518	5.0
200.04655	0.4
201.05453	2.6
201.09094	1.9
203.03352	0.3
203.06999	0.6
205.04945	12.5
205.10172	0.3
206.05347	0.3
207.08020	0.5
209.06000	0.5
209.09544	0.3
210.06682	0.5
211.07504	2.8
213.05513	1.6
213.09073	2.7
214.06224	0.3
215.07001	1.2
217.04951	1.4
219.06219	0.4
219.08171	0.3
221.09631	0.4
223.07538	1.6
225.09047	1.0
226.06194	0.3
226.09836	0.3
227.06995	1.4
227.10605	0.5
229.04980	2.5
229.08577	0.5
235.05940	2.1
235.11026	0.3
236.08327	0.3
237.09082	0.8
239.07071	0.3
239.10551	0.4
241.04784	0.3
241.19571	0.2
243.06448	0.5
243.21092	0.3
247.05894	2.8
249.09059	0.5
249.12692	0.4
251.07065	0.3
251.10526	0.5
253.08438	0.3
253.12155	0.3
255.06381	0.3
259.20444	0.9
261.22122	2.0
263.07040	0.3
264.11371	0.3
265.07034	1.7
265.12122	0.5
267.13754	0.6
269.15317	0.6
271.05777	0.4
275.07111	0.2
275.10410	0.2
279.06430	0.5
279.13763	0.5
281.08270	0.2
281.15411	0.4
283.08200	5.1
283.13013	0.4
285.14746	0.5
287.16284	0.7
293.15369	0.5
295.05991	1.3
297.07394	0.5
297.14798	0.9
299.16354	0.8
301.09140	9.1
301.14282	0.3
303.06412	0.3
305.08139	0.4
307.13107	0.2
308.06705	0.7
309.07477	0.9
309.14767	0.7
311.16330	0.5
313.06967	0.5
313.14359	0.4
313.17841	0.3
315.15900	4.8
317.07846	0.5
319.05896	0.3
321.07458	0.7
321.14771	0.5
323.09052	0.3
323.16364	0.6
325.14243	0.7
327.15900	2.4
333.07404	0.3
333.17068	0.3
333.24109	0.5
334.08102	0.2
335.09143	0.5
335.25763	15.6
336.26117	0.4
337.17899	0.3
337.27344	0.3
339.15823	2.6
341.17371	0.4
357.16693	0.3
359.18451	1.7
363.15787	0.3
371.18613	0.3
389.19629	2.0
395.18567	0.3
399.18066	0.3
399.25061	0.5
401.19620	1.1
409.16376	0.3
413.19473	0.7
419.20328	0.5
421.16449	2.7
429.16791	0.4
435.17648	0.3
437.19376	0.3
447.17932	4.8
465.19110	3.1
471.18066	0.5
483.20163	0.4
489.18765	0.3
495.19727	0.5
503.20081	0.3
513.19232	0.6
521.21460	1.4
531.19714	0.3
536.55957	0.3
539.22656	1.7
557.36102	0.3
581.35699	0.4
599.37152	0.5
605.23291	0.3
617.38397	0.2
619.39044	0.5
631.39575	0.3
647.38495	0.6
649.40833	2.3
661.40704	1.7
673.40723	1.0
677.39838	0.7
679.42120	1.0
691.41760	0.6
755.40466	0.4
773.42389	1.4
799.43915	2.8
817.45251	1.9
823.44226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.514
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	0.8
69.07062	1.4
69.43269	1.2
69.43694	1.4
71.01354	0.4
71.16338	0.3
75.65807	0.3
77.03870	0.4
79.01864	0.3
79.05488	6.1
81.03407	1.0
81.07050	6.7
83.04969	1.5
83.08613	1.0
83.28653	0.3
85.02896	1.1
91.05472	4.6
93.03382	1.3
93.07030	6.1
93.83310	0.3
95.04970	1.5
95.08599	6.0
97.02888	1.3
97.06502	0.5
97.10166	0.6
99.08102	0.4
103.05446	0.6
105.00663	0.3
105.07024	2.2
107.04938	1.2
107.08577	2.9
109.02863	0.6
109.10133	1.9
111.00782	0.4
111.04427	5.4
115.05434	0.9
117.06985	0.9
118.94244	0.3
119.08566	1.9
121.02852	1.2
121.06487	0.7
121.10098	2.1
123.04409	4.8
123.08039	0.6
123.11672	0.6
125.09616	0.5
127.03899	1.4
129.06970	0.5
131.04903	1.1
131.08562	1.2
133.06456	0.6
133.10106	0.9
135.04404	3.4
135.11665	1.2
137.05940	0.7
139.03885	100.0
140.04268	0.8
141.05443	0.9
141.06961	0.9
143.04903	0.4
143.08521	0.4
145.06483	0.9
145.10114	1.3
147.04407	1.1
147.11694	1.3
149.05945	2.7
149.13225	0.7
151.03882	8.6
151.05107	0.5
153.05489	1.0
153.06976	1.0
155.08492	0.3
157.06488	1.0
159.04459	0.7
159.08145	0.3
159.11702	0.9
161.05960	5.5
161.13257	0.5
163.03886	35.7
163.07523	0.9
165.05458	1.7
165.06966	1.1
167.08531	0.7
169.06480	1.0
171.04335	0.4
171.07951	0.4
173.05960	12.5
173.13347	0.6
175.03899	1.4
175.07484	2.1
175.59863	0.3
176.04678	0.5
177.05447	6.2
177.06891	0.3
179.03297	1.4
179.06979	0.3
181.04993	6.1
181.06487	1.6
183.08054	1.1
185.05965	1.2
187.03922	1.8
187.07507	6.5
189.05438	2.7
189.09090	0.4
191.03407	0.5
191.07072	0.7
193.04927	0.7
193.06522	0.7
195.08035	1.2
197.05936	1.4
199.07532	4.6
200.04585	0.4
201.05450	3.2
201.09047	2.1
203.06970	0.6
205.04924	13.0
209.05898	0.3
209.09441	0.4
210.06711	0.5
211.07498	3.4
213.05420	1.4
213.09032	2.3
215.06952	1.2
215.08826	0.4
217.04933	1.7
219.06371	0.6
221.09543	0.6
223.07541	1.4
225.05400	0.3
225.09119	1.4
226.06165	0.4
227.07005	1.6
227.10542	0.4
229.04936	2.5
229.08464	0.3
233.09662	0.4
235.05817	2.7
235.11197	0.4
237.05576	0.5
237.09073	0.9
239.10703	0.6
241.05006	0.5
241.19614	0.3
243.20972	0.4
247.05820	1.9
249.08995	0.4
249.12640	0.4
251.10675	0.6
251.14603	0.5
253.08783	0.4
253.12206	0.5
259.20523	1.3
261.09198	0.5
261.22064	1.9
265.06903	2.1
267.13797	1.1
269.15381	0.9
279.06396	0.3
279.13745	0.6
281.15390	0.4
283.08182	6.1
285.14911	0.6
287.16324	0.9
289.07010	0.3
295.05981	1.1
297.14847	1.3
299.16318	0.9
301.09128	8.8
305.08170	0.4
308.06799	0.9
309.07443	0.7
309.14743	0.7
311.16110	0.4
313.07028	0.9
315.15900	5.8
319.05853	0.5
321.07568	0.9
321.14886	0.7
322.08246	0.5
323.08917	0.8
323.16330	0.7
325.14380	1.0
327.15887	3.1
335.09186	0.6
335.25757	13.1
337.27441	0.4
339.15842	3.5
357.16840	0.4
359.18481	2.0
363.16061	0.4
389.19543	2.5
399.17661	0.6
401.19437	1.4
401.70770	0.3
413.19617	0.7
421.16281	2.2
429.16971	0.4
445.16275	0.5
447.17960	5.2
465.19107	3.5
471.18121	0.5
489.18906	0.5
503.20386	0.4
513.18561	0.4
521.21729	1.3
531.19794	0.5
539.22827	2.4
555.20496	0.5
555.34546	0.4
557.36865	0.7
619.39587	0.8
631.39709	0.4
637.40466	0.5
649.40692	2.0
655.40112	0.5
661.40686	1.3
667.41565	0.4
673.40680	1.0
677.40137	0.6
679.41827	0.5
691.41827	0.6
773.42120	1.3
781.43567	0.4
799.43799	3.1
817.45209	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	1011.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	2.1
75.00732	1.0
81.03323	2.3
83.01263	5.5
85.02832	1.0
87.00790	1.0
93.03336	1.0
95.01273	0.9
95.04909	2.2
96.95895	0.8
97.02833	1.8
101.02350	0.8
108.02043	1.0
109.02815	3.6
121.02854	3.0
122.03651	4.0
123.04391	2.3
125.01443	1.6
125.02343	25.6
126.02680	1.2
135.04431	3.6
136.01576	1.0
136.05151	2.2
137.02350	24.6
139.03909	0.8
140.47917	0.9
146.03653	2.3
149.02361	2.5
149.05911	1.1
150.03116	3.8
151.03900	2.0
154.01428	0.8
154.02658	0.8
159.04436	1.8
161.02354	3.1
161.05910	0.9
162.03072	2.1
163.03922	1.5
164.01050	7.1
164.04720	1.4
165.01851	16.7
167.03398	2.5
172.05215	1.2
173.05986	1.1
175.03868	2.9
175.07539	0.8
177.05505	1.3
179.03372	4.0
185.05891	0.9
189.05487	1.6
190.06245	1.2
195.13840	1.0
196.03586	0.9
201.05534	3.5
204.04160	3.2
211.13371	3.5
243.06543	0.8
243.78172	0.8
244.07323	0.9
245.04443	1.2
259.06207	1.1
259.16919	1.4
271.13336	1.2
273.14978	7.1
275.20337	1.0
285.15125	1.1
287.05661	4.0
287.16626	6.3
288.06393	1.2
288.16898	1.2
289.07224	1.2
291.15939	1.3
293.21262	3.0
297.14877	1.6
303.16040	1.5
313.14325	1.9
315.16019	8.9
316.16385	1.3
325.18073	1.2
327.15866	1.0
333.17014	1.9
335.22519	1.1
343.15198	1.4
367.19034	3.0
385.20221	2.2
393.68140	0.8
409.20325	5.0
437.19501	1.5
735.28894	1.5
873.46448	4.3
874.45508	1.1
885.45697	1.8
967.50604	2.1
993.47980	3.8
1011.49567	100.0
1012.49872	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10331	2.1
71.01262	4.0
74.20364	0.6
75.54295	0.7
77.03849	0.9
81.03339	5.6
83.01253	16.4
84.74720	0.7
85.02819	1.4
89.02332	2.5
91.05390	1.0
93.03353	4.9
95.01263	2.5
95.04907	3.9
95.37102	0.7
97.02837	5.7
99.04384	3.5
101.02329	1.7
107.04878	2.0
108.02083	0.7
109.02167	0.7
109.02847	12.9
111.04440	0.8
113.02310	1.3
120.02007	0.9
121.02844	6.8
122.03619	3.7
123.00728	0.8
123.04431	4.5
124.01532	2.5
125.02337	85.0
126.02686	2.9
130.04153	0.7
131.04898	1.2
133.02838	1.1
135.04407	4.7
137.02344	67.7
138.02699	2.1
139.03908	2.2
143.04942	0.9
146.03629	23.2
147.04318	2.5
149.02353	3.5
149.06007	1.0
150.03145	1.7
151.03918	7.3
156.05698	0.7
158.03572	0.8
159.04433	10.3
160.05180	4.7
161.02332	4.3
161.05968	3.4
162.03021	1.7
163.00261	1.1
164.01057	19.4
165.01842	44.3
167.03421	25.1
167.04860	1.2
168.03734	0.7
172.05177	6.1
173.05986	5.3
174.03159	11.0
174.06773	3.0
175.03969	4.5
176.04643	2.2
177.01849	8.4
179.03413	13.3
181.04980	1.1
183.04404	0.9
185.05927	2.5
186.06717	1.9
187.03935	7.6
187.07555	1.4
188.04697	8.4
189.05499	1.9
190.02602	1.7
191.03490	0.9
195.13829	2.7
197.05986	1.6
198.06787	1.2
199.03900	1.3
199.07541	1.2
200.04724	4.8
200.08348	1.5
201.05505	4.0
202.06255	1.8
203.03346	1.2
203.07048	0.7
204.04224	4.5
209.06023	2.2
210.06668	2.1
211.03947	1.9
211.13356	1.4
212.04727	5.9
213.05435	2.4
213.09088	0.9
214.06303	1.3
217.04904	0.8
222.06757	0.8
223.07663	1.7
223.13377	1.1
224.04773	1.7
225.05463	6.1
225.12775	1.1
226.06248	3.8
227.07036	1.7
235.07640	0.9
237.05502	1.4
238.06403	1.1
239.07133	1.4
240.07710	0.8
241.04996	1.1
241.12274	0.9
243.02879	1.1
243.13847	2.6
244.07295	1.1
245.04662	1.0
250.06097	0.9
251.07089	2.9
251.10606	0.7
252.07877	2.5
253.09091	1.2
253.12291	1.4
255.13945	2.6
265.08667	2.0
267.13791	1.4
268.07379	3.1
269.08383	1.0
269.11801	5.6
270.08926	2.4
270.12085	1.2
271.13394	33.3
272.13739	2.6
275.20218	1.4
276.07913	1.6
281.11807	1.6
283.13406	4.4
284.13773	1.0
285.14874	4.4
287.05627	1.9
287.12888	2.2
288.06332	2.0
288.13867	0.9
289.07227	3.2
289.14462	12.2
293.08182	0.9
293.21344	4.2
294.09033	4.6
295.10059	0.8
295.13202	3.4
297.14847	4.0
299.12912	8.1
300.13492	1.7
301.14554	3.3
303.16092	0.9
307.09891	0.9
309.14865	2.2
311.12689	1.0
313.14420	15.4
314.14832	2.4
315.15958	2.9
316.13275	0.7
317.14026	5.7
320.07065	1.2
325.14441	11.4
327.15985	1.9
331.15494	3.9
333.07663	0.9
335.16422	3.5
337.14432	6.9
338.14929	1.0
343.15402	6.3
351.15848	1.9
353.17444	2.0
355.15579	3.6
369.16928	1.8
377.17447	3.8
379.15479	2.2
391.19284	1.4
393.17038	2.4
395.18585	3.3
397.16388	1.0
401.17496	1.7
411.18219	1.1
413.19724	1.3
419.18640	13.9
420.18918	1.7
437.19757	8.0
445.16476	1.6
455.20728	1.0
463.17545	5.6
481.18686	2.8
525.23297	0.8
553.23199	1.7
560.89716	0.9
567.24591	5.0
568.24603	0.9
579.24115	1.5
591.24207	1.3
597.25641	1.1
658.31378	0.8
659.99194	0.9
673.28705	6.4
691.29736	0.9
699.26831	1.6
717.27570	4.6
735.29077	1.4
813.44354	1.4
817.27661	1.0
843.45294	18.6
844.45776	3.7
855.45148	13.5
856.46478	2.2
867.45294	8.4
868.45825	2.1
873.46503	11.7
874.47522	3.4
909.47058	2.1
925.49402	1.1
949.49500	14.2
950.50043	4.7
967.49060	4.5
968.49091	0.9
975.47266	6.9
976.47681	2.0
993.48541	100.0
994.48871	22.9
1011.49603	71.7
1012.49786	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	1011.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07401	1.3
71.01231	2.6
72.53968	1.0
81.03323	3.0
83.01261	8.3
89.02296	1.2
93.03323	3.3
95.01266	1.4
95.04900	2.6
95.78624	1.0
97.02818	3.9
97.06509	1.4
102.05478	1.3
107.04920	3.4
109.02836	16.2
119.04898	1.5
121.02850	6.8
122.03638	3.1
123.04435	11.0
125.02345	31.1
125.09610	3.3
128.03464	1.1
128.97479	1.2
133.02888	1.9
135.04407	7.5
137.02342	26.0
139.03905	2.3
146.03564	1.6
146.04529	3.3
147.04419	2.0
148.01582	1.4
149.02394	3.8
149.05945	1.4
150.03174	1.3
151.03912	7.0
159.04424	7.8
160.05200	2.4
161.02386	6.0
161.05957	11.0
162.03104	6.9
163.00275	4.7
163.03926	6.0
164.01080	11.5
164.04657	1.6
165.01862	23.4
167.03448	4.4
167.10704	2.8
172.05237	1.2
173.02388	1.3
173.06020	2.7
174.03159	1.9
175.03940	6.4
176.04640	1.5
177.05504	3.9
179.03400	7.8
185.11711	2.4
187.03937	5.3
188.04718	4.1
189.05367	1.5
191.03554	1.4
198.90053	1.1
201.05547	1.7
202.06213	2.0
203.03452	3.8
203.07069	8.9
204.04199	2.7
205.05002	8.3
209.11786	1.2
213.05516	1.6
213.09416	1.1
215.07063	2.4
221.08165	2.1
230.05717	1.2
233.29036	1.0
239.06987	1.4
243.06760	1.8
245.08145	11.2
265.05093	1.1
267.06604	1.2
271.13324	1.2
277.21680	6.8
287.05621	1.6
288.06201	1.3
289.07202	32.0
290.07693	1.5
291.19888	1.5
293.21304	3.2
299.12915	4.8
308.84778	1.1
309.20517	2.2
313.11292	1.3
313.14233	6.1
325.07230	2.1
331.15475	4.4
341.13922	4.6
359.14786	1.6
362.26343	1.3
393.17502	1.7
400.65326	1.2
435.17859	1.9
453.19302	1.6
497.17917	3.8
520.39606	1.2
751.28241	1.9
827.46057	3.0
845.47217	2.6
855.45422	2.3
867.44745	1.6
873.45618	6.5
949.49579	1.9
967.51257	2.5
970.81299	1.6
975.48303	2.0
993.48511	16.4
994.49561	3.4
1011.49707	100.0
1012.49866	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
76.96597	0.4
83.01260	0.7
84.95811	0.4
91.01771	0.4
93.03320	0.6
97.41581	0.4
107.01279	1.6
108.02048	0.7
109.02847	1.4
121.02843	0.6
125.02321	1.7
135.00795	1.3
137.02336	0.8
147.04459	0.4
148.01617	0.6
151.00282	5.8
153.01802	0.7
157.06445	0.5
159.04431	0.7
161.02367	0.6
163.00305	2.7
165.01707	0.8
169.01308	0.8
169.06526	0.5
171.04410	0.7
177.01805	0.8
178.99756	2.2
183.04388	0.8
185.06020	0.5
187.03996	1.9
189.05505	0.6
192.00591	0.5
197.05960	0.4
199.03976	1.1
201.01833	0.4
201.05473	0.8
211.03931	1.9
212.16489	0.4
213.05519	1.2
215.03322	0.5
226.02760	0.7
227.03456	16.9
228.03891	1.3
229.05035	6.8
239.03540	0.9
240.04259	0.5
241.05193	0.7
243.03001	5.8
244.03389	0.7
245.04445	0.7
254.02222	1.5
255.02972	41.6
256.03491	4.1
257.04587	3.8
269.04413	0.4
271.02484	35.4
272.02997	2.5
273.04071	0.6
283.02444	1.3
284.03271	43.8
285.04028	59.2
286.04388	4.1
299.01889	1.2
300.02744	71.7
301.03421	16.8
302.03857	0.7
308.21939	0.4
327.05032	1.1
433.07742	58.8
434.08093	4.3
437.26434	0.4
447.09201	0.5
593.15125	100.0
594.15521	10.8
595.55811	0.4
720.68188	0.5
904.77686	0.5
957.58502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.491
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01283	4.3
77.03854	1.8
81.03342	3.0
83.01241	16.5
85.02849	2.0
93.03343	7.6
95.01272	5.0
95.04931	2.0
97.02833	8.6
99.04424	2.5
101.02327	2.7
105.03321	2.0
108.02024	2.8
109.02848	16.9
111.00745	12.7
115.97538	2.1
121.02830	18.3
122.03651	4.4
123.00756	2.8
123.04404	9.2
124.01559	6.0
125.02340	88.4
126.02636	2.7
133.02858	4.8
133.71211	2.1
135.04416	6.2
137.02344	100.0
138.03078	2.1
139.00278	27.7
139.03932	4.4
141.01849	2.8
146.03635	14.8
147.04422	5.9
149.02339	12.5
150.03125	16.8
151.03902	9.1
153.01883	3.5
158.03697	2.9
159.04407	13.0
161.02345	17.3
163.00253	3.6
164.01067	21.9
165.01845	71.9
166.02252	3.7
167.03415	15.0
172.05240	6.8
173.06026	10.5
174.03133	9.7
175.03912	16.7
177.01851	9.2
177.05434	5.8
179.03395	13.7
183.04440	2.6
183.13765	2.5
185.05931	2.5
187.03972	7.8
188.04686	5.0
189.01917	2.2
189.05464	8.1
190.27054	2.1
191.03391	2.2
197.06029	2.4
197.11745	7.5
199.03978	4.0
200.04689	6.1
201.05565	15.1
203.03400	5.3
204.04321	3.3
211.13361	29.7
212.04651	3.7
213.05544	2.5
215.03297	2.3
215.07100	2.7
217.05014	3.8
219.06505	4.6
223.13431	3.6
224.04747	2.8
225.05527	6.8
227.03632	2.6
235.08141	2.0
241.05045	3.4
243.03049	3.0
243.06470	2.2
245.08180	2.3
253.09233	4.8
255.13892	3.6
259.06155	13.7
269.04630	4.7
269.11957	4.0
271.13367	20.2
283.13489	4.5
285.15002	3.4
287.05624	39.4
288.06378	15.8
289.07126	12.5
289.14539	7.8
291.19659	8.3
293.21136	2.6
294.08975	3.8
297.14914	4.4
299.12900	5.6
309.20715	8.4
313.14517	17.4
315.16037	3.4
325.14349	6.9
331.15564	5.0
337.14337	7.3
341.23260	2.2
343.15417	5.0
353.13992	2.2
395.18610	3.7
419.18433	9.4
437.19571	7.8
447.22241	3.7
463.17490	3.8
502.87982	2.1
525.23608	2.6
545.29547	2.6
551.23889	2.1
553.23444	3.3
567.24335	6.2
673.28680	4.0
695.34418	3.2
717.26520	4.3
739.42651	3.1
817.38129	2.6
841.43622	5.1
853.43579	4.5
859.44788	3.9
865.43561	3.6
871.45123	8.4
923.41272	9.2
941.41748	15.9
942.41443	4.0
947.48425	4.6
965.49701	4.4
991.47656	15.2
992.46576	2.8
1009.48260	20.7
1010.48944	2.7
1027.48950	44.5
1028.48938	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	1027.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01240	3.7
78.74668	0.9
81.03328	6.9
83.01257	15.2
90.91179	0.9
93.03339	5.9
95.01274	2.7
95.04912	2.0
96.95869	1.5
97.02831	7.2
98.31537	0.9
99.04370	3.3
101.02317	2.7
107.04886	2.4
108.02066	1.6
109.02850	8.7
111.08025	1.7
113.02325	1.2
119.20915	0.8
121.02841	7.7
122.03627	2.0
123.04422	5.2
124.01537	3.1
125.02338	69.1
125.30783	0.8
126.02682	2.2
131.04913	1.2
133.02852	2.0
135.04411	4.2
137.02344	66.0
138.02730	1.7
139.03885	3.2
144.05693	1.0
146.03639	23.6
147.04366	1.6
149.02319	3.7
149.05972	1.0
150.03152	1.9
151.03922	6.8
157.99983	0.8
158.03667	1.7
159.04417	9.9
160.05228	4.8
161.02332	2.9
161.04425	1.0
161.05952	3.0
162.03067	1.4
163.03915	1.5
164.01071	19.5
165.01848	41.5
166.02348	1.4
167.03398	23.5
172.05275	5.6
173.05975	4.8
174.03139	13.9
174.06747	3.6
175.03874	4.3
176.04648	3.5
177.01880	9.0
179.03444	12.4
180.03719	1.0
181.05063	1.4
183.04414	1.9
184.05219	1.0
185.06001	2.6
186.06741	2.8
187.03955	5.3
188.04707	8.1
189.05463	3.2
190.02592	1.3
191.03418	1.6
197.06023	2.0
197.11752	5.7
198.06764	1.6
199.03928	1.1
199.07579	1.9
200.04718	5.9
201.05510	5.0
202.06297	1.6
204.04213	5.0
209.05939	2.3
210.06709	2.1
211.03983	2.1
211.07697	1.3
211.13271	2.5
212.04686	6.8
213.05475	1.9
214.06316	1.0
217.05032	1.5
221.15262	1.7
224.04643	1.5
225.05472	4.8
226.06261	2.8
227.06897	1.7
233.15135	0.8
236.04764	1.6
237.05592	1.5
239.07024	2.1
243.13834	2.1
244.07233	1.4
245.11867	0.9
251.07196	2.6
252.07858	3.6
253.08714	1.4
255.13832	2.8
268.07364	2.5
269.11807	5.1
269.15100	1.5
270.08939	4.7
270.12213	1.6
271.13409	32.1
271.16446	1.6
272.13745	1.4
276.08057	0.9
281.11530	1.0
283.13406	4.1
285.14929	3.9
287.05411	1.5
287.12878	2.8
289.07172	1.8
289.14453	8.4
291.19730	1.4
294.08926	4.4
295.13373	3.3
297.15027	3.5
299.12924	8.7
300.13345	1.1
301.14432	3.5
309.14999	3.1
313.14453	19.2
315.16016	3.3
317.13956	4.6
320.06989	1.5
325.14496	12.1
326.14679	1.5
327.16080	1.2
331.15518	3.1
335.16422	2.7
337.14401	6.3
343.15524	6.8
351.16122	1.7
353.17636	2.8
355.15625	2.7
369.16882	1.4
377.17737	5.1
379.15790	2.3
391.19345	1.4
393.17004	3.3
395.18567	4.5
402.39850	1.1
419.18600	16.6
420.19028	1.8
437.19501	7.5
438.19641	1.5
445.16388	2.2
463.17514	5.1
481.18680	2.0
502.62820	1.0
536.62439	0.9
567.24341	3.6
568.24524	1.1
579.24548	1.3
591.24445	1.3
597.25897	1.1
655.28021	1.0
673.28479	5.8
717.27679	4.0
817.43817	1.6
843.46802	1.4
859.44989	19.1
860.45306	4.2
871.44818	10.7
872.45111	2.0
883.45068	8.9
884.45911	1.6
889.46368	8.3
890.45941	2.1
925.46277	1.9
941.49457	1.5
947.46869	1.2
965.48975	16.7
966.49451	3.9
983.48181	4.2
991.46967	5.5
992.46442	1.6
1009.48047	100.0
1010.48212	21.7
1027.49109	74.6
1028.49365	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	1030.5592
Annotation	Unknow
Peak:m/z	Relative Intensity
82.47782	39.8
83.02998	41.4
107.30237	41.4
116.92760	100.0
125.02367	75.0
128.86974	35.0
190.74422	33.8
317.02045	37.8
405.12842	40.1
408.95392	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
82.50671	0.5
89.02307	0.5
93.03331	5.3
95.01259	1.2
107.04922	0.7
108.02074	1.3
109.02854	2.9
111.51346	0.5
115.26605	0.5
119.04894	0.5
121.02847	8.7
122.03637	15.8
123.00785	2.1
123.04455	3.2
124.01583	1.5
125.02370	2.7
132.02084	1.0
133.02850	2.4
134.03625	2.0
135.04408	1.9
136.01564	9.0
137.02345	12.9
138.03084	2.0
139.03963	0.7
145.02879	1.0
146.03632	1.6
147.04456	0.7
149.02353	28.0
149.06010	2.3
150.03137	100.0
151.00296	7.4
151.03923	11.4
152.01140	1.3
152.04683	1.1
153.01819	1.4
153.05447	0.8
159.04396	0.7
160.01599	1.3
161.02298	2.4
161.06018	0.8
162.03084	1.9
163.03899	1.6
164.01065	0.7
164.04703	6.3
165.01849	30.4
165.05489	87.4
165.60910	0.5
166.02634	17.7
166.05771	3.7
167.03349	2.2
173.02367	0.7
175.03915	3.4
176.01042	0.8
177.01897	2.5
177.05482	3.4
178.02649	0.9
179.03430	6.9
179.06998	5.1
180.04208	22.8
181.04991	24.5
184.03644	0.7
187.03883	1.3
190.02632	0.9
190.06290	1.4
191.03481	0.9
191.07132	0.6
192.04204	0.8
193.04916	3.5
194.05779	1.5
195.06564	77.7
196.06889	2.9
202.06349	0.5
203.03514	1.0
204.04129	0.6
205.04977	4.6
205.08623	0.7
206.05630	0.8
207.06586	1.8
209.08138	1.6
210.05246	3.2
211.05853	0.6
218.71349	0.5
219.06584	1.3
220.07321	2.3
221.07985	0.7
223.05978	0.8
225.07643	16.4
226.07974	0.9
233.08177	1.0
282.05322	0.9
289.07068	1.2
299.09177	0.8
315.08716	0.8
327.21628	1.4
329.10333	1.1
343.11954	2.5
357.09753	1.4
357.13602	1.2
359.11404	0.6
372.12097	1.2
373.08420	1.0
373.12878	11.9
374.13226	0.9
387.10547	2.3
387.14481	7.9
402.13031	1.5
403.14050	5.7
416.14658	1.5
417.15552	17.5
418.15900	1.2
421.15057	10.0
422.15292	0.7
520.17114	0.7
535.16449	1.9
550.18335	0.8
564.20416	0.7
565.20825	24.1
566.20984	2.4
594.20349	0.7
595.21887	12.9
596.21875	1.8
599.20618	2.4
613.22980	13.7
614.22748	2.2
625.22467	0.7
642.22852	0.6
643.23688	1.7
743.27325	3.3
755.28064	0.7
773.27948	1.9
791.29303	3.7
792.29761	0.7
821.29950	2.3
839.31525	4.1
840.31293	0.8
969.35022	1.1
987.36292	1.0
1035.36963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01257	1.0
93.03347	5.9
95.01281	2.0
95.04930	1.0
96.95888	0.9
99.00790	0.7
108.02045	1.3
109.02826	3.8
119.04996	0.7
121.02865	9.6
122.03632	18.2
123.00765	2.7
123.04405	3.2
124.01546	1.1
125.02331	3.1
131.04890	0.9
132.02090	0.8
133.02849	2.7
134.03656	2.8
135.04404	1.9
136.01570	10.5
137.02357	16.7
138.03055	3.0
139.03896	1.2
145.02899	2.0
146.03619	2.1
147.04420	1.6
149.02351	42.3
149.05995	2.6
150.03134	100.0
151.00291	10.7
151.03949	16.5
152.01007	1.6
152.04631	2.3
153.01779	1.5
153.05466	2.1
160.01512	0.7
161.02362	2.9
161.05951	1.1
161.46480	0.7
162.03154	2.8
163.03877	3.0
164.01003	0.7
164.04698	10.4
165.01842	26.6
165.05482	87.6
166.02623	22.9
166.05840	3.1
167.03400	3.0
168.04170	3.0
173.02290	0.9
175.03902	3.9
176.01054	0.9
176.04546	0.9
177.01859	3.1
177.05493	5.1
178.02626	1.5
179.03404	8.9
179.07033	6.5
180.04211	20.5
181.04982	31.0
182.05325	1.3
184.03775	0.8
187.03975	2.1
190.02631	1.0
190.06273	1.5
191.03447	2.0
192.04247	2.7
193.05035	3.8
194.05891	1.8
195.06561	68.7
196.06891	2.3
203.03456	0.9
205.05034	8.2
206.05588	0.7
207.06496	4.1
209.08067	1.5
210.05315	2.3
217.05092	0.8
219.06587	2.3
220.07246	3.6
221.08145	1.6
222.46925	0.7
223.06047	1.4
225.07608	10.9
282.05399	0.9
289.07251	1.5
297.07822	1.1
299.09082	1.3
311.37366	0.7
314.08084	1.2
315.08731	1.1
327.08551	1.1
329.10440	1.6
341.10519	0.9
343.11896	4.3
356.12399	1.0
358.11050	0.8
371.11316	1.2
372.12250	0.8
373.12903	26.3
374.13321	2.2
386.13336	1.0
387.10678	3.3
387.14996	5.3
388.11395	1.4
402.13214	3.0
403.13937	12.1
415.14374	0.8
416.14804	0.9
417.15530	24.3
418.16092	1.9
421.15039	17.7
422.15524	1.6
471.16479	1.1
535.16644	2.7
536.16675	0.9
550.18262	1.1
551.19312	1.3
565.20782	41.8
566.21088	3.9
577.20557	1.2
583.21490	1.5
595.21869	25.3
596.22058	2.6
599.21368	1.7
613.22894	16.0
614.23126	2.3
643.24200	2.6
664.46063	0.9
722.91779	0.8
743.26990	3.5
773.28363	2.7
791.29065	3.3
821.30280	1.7
839.31067	4.4
939.34882	2.0
969.34314	3.7
970.35913	1.2
987.36627	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	1037.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99187	0.5
73.02832	1.4
78.98466	4.3
79.95117	0.4
79.95608	23.1
80.96391	60.1
81.03323	0.5
83.01263	0.8
85.02821	1.8
87.00753	2.0
93.97221	0.2
94.97963	13.6
95.01285	0.3
96.95889	1.0
97.02840	1.2
98.20170	0.8
99.00743	0.6
101.02323	2.2
102.26465	0.2
106.97964	2.8
121.70040	0.2
122.97473	3.0
125.02342	3.8
127.03924	0.6
134.97478	6.5
136.99060	1.9
137.02365	1.5
143.03453	0.3
146.03622	0.4
148.99036	5.5
149.02367	0.3
150.03107	0.5
152.98546	6.8
153.09215	0.2
159.04405	0.4
161.04463	0.5
164.98547	16.4
165.01817	0.6
165.98820	0.3
167.00150	0.5
167.03470	0.3
174.03117	0.6
175.03954	0.4
179.00079	0.4
206.99638	3.3
225.00696	25.9
226.00920	0.5
240.25914	0.3
241.00206	0.5
255.23293	1.0
271.13403	1.0
283.04926	2.3
299.12711	0.5
341.05392	1.2
343.15692	0.6
355.07037	1.1
359.56912	0.3
383.10013	0.3
397.12231	0.3
411.13171	1.2
423.13309	0.4
457.36389	0.3
537.27118	2.8
571.18536	0.4
609.29541	1.2
609.60034	0.3
610.29065	0.4
623.30872	1.0
637.32776	0.4
643.20752	1.0
651.34784	0.5
679.37372	1.4
680.38068	0.4
719.40137	0.5
748.40656	0.5
827.42792	2.2
899.44666	12.8
900.44739	2.4
960.62823	0.4
1037.47864	100.0
1038.48096	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5545
Annotation	Unknow
Peak:m/z	Relative Intensity
93.98878	75.5
125.02355	85.2
209.11812	100.0
466.81830	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	21.0
69.83081	4.1
69.83495	2.5
72.99184	89.8
73.99516	2.4
75.00749	38.3
84.20982	1.1
90.97989	1.3
97.42759	1.2
98.19865	1.6
103.00261	1.7
103.62746	1.3
105.01823	100.0
105.04467	1.5
106.02181	3.3
106.04059	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	1057.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01244	0.8
83.52878	0.4
90.50049	0.5
106.15748	0.4
107.01266	2.1
109.02827	1.6
118.45753	0.4
121.02827	0.9
123.04448	0.5
125.02324	1.5
135.00778	0.8
137.02353	0.5
151.00273	7.0
152.00687	0.5
159.04401	0.6
159.85806	0.4
161.02289	0.5
163.00275	2.1
164.01079	1.2
169.01320	0.8
178.99791	3.8
183.04533	0.5
185.05974	0.5
199.03896	0.9
211.03989	1.2
215.03349	0.5
216.04150	0.7
226.02641	1.1
227.03461	9.9
228.03854	0.8
229.04926	2.2
239.03299	0.6
243.02951	8.0
244.03513	0.8
245.04611	0.7
254.02260	1.8
255.02965	35.8
256.03415	2.8
257.04523	1.5
271.02481	41.6
272.02908	3.2
273.03928	0.8
283.02463	1.2
284.03262	25.5
285.03952	10.8
287.16962	0.4
293.99918	0.4
299.01950	1.1
300.02747	70.2
301.03497	35.1
301.06406	0.6
302.03891	2.3
327.04895	0.5
361.58124	0.4
388.56058	0.5
444.36655	0.5
463.08820	100.0
464.09152	9.8
593.15082	54.1
594.15601	7.9
922.45386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
75.62878	0.4
104.11524	0.4
107.01259	1.4
108.02033	1.0
109.02826	1.1
121.02827	0.9
125.02331	0.7
125.04745	0.4
135.00687	0.6
148.01546	1.5
151.00269	5.7
154.43562	0.4
163.00270	1.0
169.01395	0.5
178.99771	2.3
187.03934	0.4
192.00589	0.5
199.03853	2.1
201.05496	0.5
211.03947	1.0
215.03418	0.8
216.04301	0.6
218.24506	0.4
226.02682	1.1
227.03407	3.2
228.04100	0.4
242.02240	0.8
243.02959	12.7
244.03421	1.2
245.04478	0.5
254.02190	2.4
255.02960	25.0
256.03409	2.0
256.25061	0.5
257.04623	1.0
270.01755	1.3
271.02466	53.7
272.02960	4.4
273.03836	0.6
283.02649	0.5
285.04028	2.0
287.05795	0.4
291.29724	0.4
299.01968	11.3
300.02734	100.0
301.03378	22.8
302.04013	1.3
314.04309	12.0
315.05072	24.2
316.05487	1.3
433.07739	93.2
434.08066	9.8
623.16162	45.8
624.16528	7.5
776.56378	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1058.497
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00748	1.7
77.62473	0.9
79.95608	2.8
80.96413	8.0
81.03332	3.4
83.01266	8.4
85.02828	1.2
87.00753	1.3
89.02342	1.2
93.03334	4.2
94.97948	1.5
95.01278	2.1
95.04922	2.2
97.02834	3.8
99.04417	2.5
101.02334	1.7
109.02838	5.3
121.02841	3.6
122.03606	2.6
123.04402	1.9
125.02341	43.2
133.02821	1.7
135.04404	2.6
137.02344	40.6
138.02896	1.3
139.03848	1.3
146.03688	12.4
149.71417	1.1
151.03883	2.8
159.04443	6.6
160.05139	1.9
161.02332	1.0
163.82069	0.9
164.01053	11.8
164.98543	1.7
165.01851	22.8
166.02106	1.6
167.03432	16.0
172.05200	3.9
173.05927	1.9
174.03181	6.0
174.06746	1.2
175.03856	1.6
177.01816	5.2
179.03450	7.1
185.06055	1.6
186.06685	2.3
187.03915	3.0
188.04752	5.2
191.05525	5.0
199.04062	1.3
199.07649	1.0
200.04694	4.1
201.05551	2.4
204.04239	3.9
209.06035	1.4
209.11736	1.1
210.06729	1.1
212.04716	3.9
213.05402	1.5
223.07550	1.5
225.00635	2.7
225.05557	3.2
227.07144	1.0
236.04826	1.1
251.07089	2.4
252.08035	1.0
255.13802	1.5
268.07437	1.5
269.07983	1.1
269.11749	2.8
270.08914	2.9
271.13379	19.8
272.13708	1.4
277.21805	6.7
283.13419	2.6
285.14954	3.4
287.12808	1.7
289.14374	6.5
294.09009	3.7
295.13315	2.8
297.14948	2.9
299.12796	5.7
301.14398	2.5
309.14862	1.9
313.14481	14.1
317.13892	3.4
325.14435	8.1
331.15515	3.6
335.16516	2.6
337.14413	3.2
343.15494	4.3
355.15549	1.9
369.16943	1.3
377.17670	3.3
379.15530	1.6
381.62143	1.3
393.16910	2.2
395.18655	4.9
401.17349	1.1
419.18695	8.6
437.19681	7.1
463.17551	2.2
567.24573	3.3
673.28815	4.0
717.27417	1.7
735.28015	1.5
827.45807	19.0
828.46149	4.0
839.45892	9.1
840.45386	1.3
851.45697	5.2
857.47015	8.3
867.45349	3.1
869.46851	1.5
921.42749	2.5
933.50238	13.6
934.50732	2.8
951.48737	3.1
952.50238	1.4
959.47626	3.0
977.49017	99.1
978.49341	23.1
995.50092	100.0
996.50409	27.5
1059.46472	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	1058.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95636	0.9
80.96406	2.6
81.03332	3.8
83.01269	9.4
89.02330	1.5
92.20910	0.8
93.03349	3.9
95.01244	1.8
95.04891	1.8
97.02847	4.0
99.04390	1.7
103.83643	0.9
107.04898	0.9
109.02830	7.0
119.22316	0.9
121.02856	4.8
122.03669	1.5
123.04451	1.5
125.02345	46.7
126.02694	1.4
135.04404	3.2
137.02347	41.7
137.23291	0.8
139.03854	1.3
146.03636	12.4
147.04427	1.2
149.02357	1.8
150.03079	0.8
151.03908	3.3
152.78668	0.9
159.04459	5.5
160.05193	2.4
161.02353	0.9
163.03934	1.2
164.01059	12.4
165.01849	25.3
166.02280	1.0
167.03412	15.5
172.05244	2.7
173.05983	3.1
174.03145	7.3
174.06807	1.6
175.03902	2.4
176.04733	1.0
177.01903	5.5
179.03476	8.6
181.04868	1.2
185.05997	1.8
186.06790	1.5
187.03960	4.5
188.04745	5.6
189.05490	2.4
191.05537	1.5
199.03989	1.1
199.07571	1.0
200.04744	4.7
201.05428	2.4
202.06241	1.1
204.04254	3.1
209.11800	0.9
210.06694	1.6
211.03996	1.6
212.04739	3.8
213.05537	1.0
223.07556	0.9
224.04895	1.6
225.00697	1.0
225.05569	3.2
225.12819	1.1
226.06154	1.8
227.06978	1.2
237.05585	1.5
244.80414	1.0
251.07127	2.1
252.07997	1.8
255.13928	2.6
256.05972	0.9
268.07343	2.4
269.11917	2.3
270.08807	1.6
270.12222	0.9
271.13412	21.2
272.13928	1.9
277.21664	9.1
278.21927	0.9
283.13309	2.9
285.14963	2.3
287.12943	2.4
288.06454	1.1
289.14450	8.0
294.09045	4.3
295.13422	2.5
297.14987	2.9
299.12885	6.7
301.14465	2.6
309.14850	1.7
313.14459	14.4
314.14856	1.0
315.16031	3.0
317.13919	3.5
320.06812	1.1
325.14410	9.5
331.15445	3.3
335.16574	3.2
337.14474	6.1
343.15570	5.6
351.15906	0.9
353.17630	2.0
355.15506	2.0
377.17664	3.6
379.15387	2.1
391.19321	1.2
393.17126	1.6
395.18555	3.6
397.16650	1.0
401.17480	1.5
413.19565	1.4
419.18710	10.2
420.18921	2.0
421.16660	1.2
437.19690	7.0
445.16769	1.1
463.17807	2.5
567.24524	3.0
673.28552	2.8
699.26880	1.4
717.27808	2.6
735.28241	1.3
827.46014	18.8
828.45825	4.4
839.45728	11.6
840.46753	1.8
851.45837	7.3
857.46887	11.1
858.47675	2.2
909.50012	1.8
933.50018	13.3
934.50391	3.8
951.49109	2.9
959.48022	5.6
960.49414	1.4
977.49060	92.7
978.49310	24.7
995.50140	100.0
996.50513	27.3
1059.47632	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	1058.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
80.96399	3.3
81.03339	3.5
83.01254	7.8
85.02848	1.6
87.00777	1.7
87.16441	1.1
93.03349	2.5
94.97974	1.0
97.02818	3.0
99.04424	1.4
101.02328	1.9
102.73175	1.0
104.84645	1.0
109.02812	5.0
121.02883	2.8
123.04369	1.5
125.02344	45.9
135.04449	2.9
137.02351	40.4
137.03439	1.3
138.02870	1.1
146.03650	14.5
149.02347	1.8
151.03915	3.2
159.04440	5.9
160.05124	2.6
161.05972	2.2
163.00302	2.3
164.01067	11.0
164.98672	1.4
165.01869	23.3
167.03421	13.1
172.05223	3.5
173.05974	3.5
174.03137	6.5
174.06778	2.4
175.03833	1.3
176.04761	1.1
177.01874	4.2
179.03464	7.6
185.05919	1.3
186.06711	1.6
187.03886	3.2
188.04787	5.7
200.04720	4.2
201.05539	3.3
204.04185	4.1
209.05951	1.7
210.06744	1.3
211.03917	1.2
211.07553	1.4
212.04739	2.7
216.22282	1.0
222.36295	1.0
223.07530	1.0
224.04764	1.3
225.00679	1.3
225.05498	4.9
226.06354	1.5
227.06987	1.4
243.13750	1.3
251.06848	1.3
252.07953	2.5
253.12497	1.3
255.13904	2.9
265.08521	1.4
269.11816	3.4
270.08994	2.5
270.12234	1.7
271.13364	17.7
272.13861	1.9
277.21725	13.0
278.22043	1.1
283.13434	3.0
285.15005	1.7
287.12997	1.3
289.14450	4.2
294.09024	4.1
297.14935	3.1
299.12817	5.6
301.14316	1.7
309.14905	1.9
313.14502	12.0
314.14850	1.2
315.15823	1.8
317.13907	2.5
325.14505	8.7
331.15610	1.7
337.14551	6.1
343.15488	3.8
353.17679	2.4
377.17505	2.6
379.15439	2.2
395.18607	3.8
419.18732	11.0
437.19614	3.2
463.17746	2.6
481.25467	1.3
491.23758	1.1
673.28864	2.4
827.46027	15.4
828.46484	3.4
839.46259	9.8
840.46417	2.6
851.45770	6.5
852.45966	1.9
857.47028	8.7
858.46851	2.3
893.47095	1.7
909.48901	1.4
921.43817	1.6
933.50250	13.6
934.51044	3.1
951.49481	2.5
952.49396	1.5
959.47821	5.3
977.49060	100.0
978.49487	25.1
978.64435	0.7
995.50073	93.3
996.50543	27.0
1059.46252	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	1071.262
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01279	0.2
89.02343	0.2
107.01273	0.7
108.02090	0.3
109.02776	0.2
125.02352	0.7
137.02332	0.2
143.33644	0.2
145.02864	0.5
147.00870	0.2
148.01625	0.3
151.00293	2.7
152.00827	0.2
153.01807	0.3
155.04958	0.2
159.04448	0.2
161.02327	0.2
163.00302	0.7
164.01039	0.3
165.01881	0.2
167.04973	0.2
171.04414	0.4
173.02449	0.2
178.99820	0.4
183.04425	1.0
184.05272	0.2
185.02486	0.2
187.03891	0.5
189.01889	0.3
192.00586	0.2
192.18852	0.2
199.03957	2.6
200.04547	0.3
201.01927	0.2
202.02432	0.2
203.03453	0.3
204.04150	0.3
211.03944	0.7
215.03508	1.2
216.04150	0.2
219.06520	0.2
226.02696	0.5
227.03452	9.5
228.03943	0.7
229.01352	0.3
229.04889	0.3
242.02203	2.2
243.02968	17.3
244.03510	1.7
254.02234	0.6
255.02968	20.5
256.03424	2.0
257.04541	2.6
259.06146	0.4
270.01694	2.2
271.02472	30.1
272.03021	3.3
273.03674	0.2
284.03256	7.2
285.04013	5.6
286.04590	1.2
287.02335	0.3
287.05573	1.3
299.01965	24.8
300.02725	23.6
301.03101	1.8
313.03625	0.4
314.04327	25.6
315.05093	52.5
316.05447	4.0
341.65988	0.2
357.06439	0.2
362.85614	0.2
447.09357	8.5
447.19308	0.3
448.09619	0.7
623.16162	100.0
624.16510	14.1
630.64252	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.299
Annotation	Unknow
Peak:m/z	Relative Intensity
76.05791	0.2
83.01257	0.4
88.64581	0.2
93.03358	0.5
98.19814	0.6
107.01259	1.3
109.02780	0.4
111.50598	0.2
117.03349	1.0
123.04389	3.5
125.02303	1.2
132.02086	0.4
133.02859	3.0
135.00798	0.6
135.04419	1.6
137.02382	0.3
143.04951	0.6
145.02837	2.3
146.03195	0.4
151.00294	2.0
153.01834	0.5
153.05450	2.8
159.04440	0.7
161.02361	8.1
163.00264	1.4
163.03880	0.3
165.01915	0.4
167.04871	0.3
167.29309	0.3
169.01389	0.4
169.06482	0.5
171.04384	0.6
175.03923	0.4
178.53214	0.3
178.99806	0.4
179.03397	0.9
183.04436	0.4
185.05968	1.3
187.03925	1.5
189.05449	0.6
195.04475	0.4
197.06017	0.3
198.03217	0.3
199.03914	0.7
211.03867	1.4
213.05482	1.1
215.46278	0.3
227.03458	14.3
228.03851	0.9
229.05026	6.2
230.05457	0.4
235.57753	0.2
239.03389	0.9
240.04173	0.6
241.05017	0.7
243.03017	0.4
255.02972	27.6
256.03503	3.5
257.04553	3.9
267.02979	0.5
269.04364	0.4
284.03268	39.3
285.04019	53.2
286.04385	3.3
308.60895	0.3
323.07635	1.9
327.05005	0.8
349.58524	0.3
427.90515	0.3
431.13766	0.3
432.13922	0.4
439.47220	0.3
475.12296	0.9
476.12823	0.7
477.14664	5.3
477.51486	0.3
478.14734	0.4
552.08691	0.3
591.65265	0.3
593.15118	100.0
594.15442	11.7
595.15875	1.2
646.10248	0.3
648.58405	0.3
659.80310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01257	2.4
83.01709	0.2
85.02833	1.4
87.00771	0.2
91.01752	0.3
92.59985	0.1
93.03330	1.1
95.01289	0.5
99.00764	0.5
103.00266	0.5
107.01274	7.8
108.02093	0.2
109.02838	4.0
110.03213	0.2
111.00748	0.2
113.02339	1.2
115.77866	0.1
119.01288	0.6
121.02843	6.4
122.03172	0.2
125.02341	0.7
131.34041	0.1
133.02934	0.2
135.00783	0.5
137.02362	0.4
139.03915	0.6
140.26697	0.1
145.02838	0.2
146.03636	0.2
148.01625	0.4
149.02359	1.3
151.00278	29.8
152.00621	0.9
157.06471	0.3
159.04425	0.7
161.02350	0.6
161.05974	0.2
163.00275	4.3
163.03937	0.4
164.00999	0.5
165.01825	0.5
167.04970	0.5
169.01335	2.3
170.03792	0.2
171.04401	0.3
173.05978	0.3
174.03236	0.2
175.02396	0.8
175.03902	0.5
178.99782	14.8
180.00110	0.6
183.04495	0.8
185.06003	0.4
187.03917	1.0
189.05531	0.3
190.99847	0.4
192.00577	0.5
193.01343	0.6
198.03133	0.2
199.03932	0.4
201.05519	1.3
203.03459	0.5
205.75856	0.1
211.03960	2.3
212.04630	0.3
213.01849	0.3
213.05461	0.2
214.02626	0.4
215.03485	0.3
216.04265	0.2
226.02699	0.2
227.03461	2.2
228.04131	0.4
229.05069	1.8
230.02122	0.2
231.02992	0.2
239.03416	0.7
240.04279	0.3
243.02983	1.6
245.04524	3.2
246.04881	0.3
254.02071	0.2
255.02980	7.3
256.03598	0.8
257.04636	0.8
266.02258	0.5
271.02487	6.1
272.03003	0.7
273.04041	2.5
283.02505	2.8
284.03073	0.2
290.38330	0.2
299.02103	0.4
300.02762	8.9
301.03522	100.0
302.03857	6.4
477.06754	69.9
478.07077	7.0
609.14624	11.8
610.14709	1.6
788.41980	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08976	1.5
55.01760	17.7
67.01764	45.9
68.02096	1.8
71.01265	3.9
78.95781	22.8
79.95608	2.6
83.01261	47.5
86.53013	1.6
88.55389	1.5
93.03316	1.9
110.97468	7.4
111.00761	100.0
111.04400	4.0
112.01115	5.1
116.93926	1.6
127.27480	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	1123.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95775	51.1
83.35264	0.3
96.96829	3.4
98.09789	0.2
98.20580	0.3
144.31856	0.2
150.97908	0.8
152.99492	54.7
153.99831	0.6
166.02692	0.4
171.00558	14.4
173.64954	0.2
226.06236	0.4
227.03188	3.5
241.08716	0.3
245.04289	75.4
246.04604	1.7
253.21709	42.4
254.22093	2.1
374.30243	0.2
481.25714	100.0
482.26071	8.2
482.31171	0.2
482.33191	0.3
555.18243	0.4
641.22076	0.3
674.22797	0.3
795.23029	1.3
796.22491	0.5
895.45398	0.9
1111.95740	0.3
1123.48999	18.8
1124.49390	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	1135.5693
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03326	4.1
83.01252	7.1
85.02826	1.1
87.00755	1.2
89.02320	2.3
91.05435	0.5
91.35526	0.4
93.03325	2.1
95.01264	1.1
95.04906	1.6
97.02829	3.9
99.00748	0.6
99.04383	2.0
101.02313	3.0
107.04889	1.1
108.02060	0.9
109.02844	4.8
109.78627	0.4
112.75806	0.5
113.02350	1.2
119.03407	0.9
120.02042	0.8
120.10296	0.5
121.02844	4.4
122.03640	1.2
123.00797	0.6
123.04397	2.2
124.01538	1.2
125.02341	40.8
126.02644	1.2
127.52668	0.5
131.04919	1.4
133.02887	1.0
135.04424	3.3
135.24396	0.4
137.02344	30.7
138.02702	0.5
139.03954	1.1
146.03641	16.2
147.04385	1.8
149.02316	1.8
150.03096	0.8
151.03954	3.0
158.03703	0.5
159.04428	7.0
160.05193	2.2
161.02367	0.9
161.05946	0.9
162.03067	0.8
163.00298	0.5
163.03905	0.8
163.99675	0.6
164.01060	9.0
164.38036	0.6
165.01855	19.6
166.02179	0.9
167.03409	11.3
172.05208	4.3
173.05968	2.8
174.03149	8.8
174.06770	2.4
175.03900	3.3
176.04680	1.7
177.01886	3.5
179.03421	5.9
181.05052	0.8
183.04527	0.8
184.05319	0.7
185.05992	2.0
186.06749	1.7
187.03932	3.2
187.07515	0.6
188.04701	5.2
189.05423	1.3
191.03461	0.7
196.05196	1.1
197.06046	0.9
198.06718	0.9
199.03902	1.1
199.07535	1.3
200.04669	4.0
200.08333	0.7
201.05515	3.0
202.06197	0.6
204.04214	3.6
209.06023	1.9
210.06770	1.4
211.03922	1.9
211.07585	0.5
212.04706	5.7
213.05403	1.7
213.09042	0.9
214.06154	0.7
218.05789	0.6
221.06575	0.8
222.06834	0.6
223.07565	1.2
224.04773	1.1
225.05493	4.3
225.09254	0.5
225.12846	0.8
226.06258	2.0
227.07133	1.1
228.07852	1.1
236.04773	1.1
237.05479	2.0
239.07080	1.7
241.12276	0.9
243.13895	0.8
244.07399	1.0
250.06210	0.6
251.07196	2.0
251.10706	0.6
252.07860	2.4
253.05003	1.1
253.12354	1.1
255.13994	2.9
255.23282	12.4
256.23679	0.8
257.11871	0.6
265.08530	0.9
266.09372	0.6
268.07385	1.7
269.08057	0.9
269.11768	3.3
269.14938	1.0
270.08936	2.0
270.12183	0.6
271.13406	20.6
272.13721	1.5
276.07892	0.9
281.11697	0.9
283.13333	2.3
285.14948	2.9
287.12787	1.2
288.06412	1.2
289.14474	4.5
294.09027	4.7
295.13342	2.2
297.14844	2.7
299.09836	0.9
299.12946	7.0
299.16183	0.8
301.14462	1.9
309.14975	1.6
311.13000	1.4
313.14474	10.4
314.14661	0.8
315.16064	1.3
317.14142	2.6
320.06900	1.4
323.16309	0.6
325.14499	9.4
325.18091	1.1
331.15833	1.3
335.16531	2.2
336.16925	0.6
337.14456	7.8
338.14786	0.8
343.15543	4.5
351.15976	1.4
353.17624	1.1
355.15482	2.2
361.14227	0.6
369.17044	1.5
375.16016	0.7
377.17493	3.5
378.17670	0.7
379.15631	1.6
391.19186	1.3
393.16937	2.6
395.18536	3.3
401.17502	1.2
413.19376	0.8
419.18665	10.9
420.18954	0.9
437.19733	5.6
445.16577	1.7
463.17419	3.4
729.29871	0.9
753.29883	0.8
835.33740	2.8
861.31549	0.8
879.32971	1.4
932.33539	0.6
937.52496	0.8
951.53583	0.7
953.52258	0.7
967.52832	14.2
968.52936	2.6
979.52710	10.7
980.52863	1.8
991.52808	12.0
992.53027	1.3
997.53656	10.4
998.54248	2.5
1009.53973	1.7
1033.54138	2.2
1049.56335	1.8
1051.54468	0.7
1073.56946	18.3
1074.56946	4.5
1091.55859	3.8
1092.56116	1.1
1099.54834	6.7
1100.54944	1.9
1117.55847	100.0
1118.56128	23.9
1135.56958	71.0
1136.57166	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	1135.5699
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05272	0.5
81.03327	2.8
83.01261	5.8
85.02818	0.9
87.00757	1.0
89.02320	2.7
90.54277	0.5
91.05387	0.5
93.03324	2.3
95.01277	1.4
95.04887	1.0
97.02825	3.5
98.19652	0.9
99.04406	1.8
101.02347	3.5
107.04884	1.2
108.02068	0.6
109.02844	3.8
113.02308	1.6
121.02843	2.5
122.03622	1.1
123.04396	1.6
124.01517	1.5
125.02344	39.4
126.02769	0.6
131.04845	0.5
133.02879	0.9
135.04381	2.6
137.02347	25.1
137.88620	0.5
139.03889	1.4
146.02544	0.8
146.03642	13.9
147.04434	1.3
149.02380	1.3
150.03207	0.6
151.03888	1.7
158.03638	0.7
159.04436	6.0
160.05200	2.6
161.02359	0.7
161.05997	1.2
163.03885	0.7
164.01064	9.0
165.00499	1.1
165.01851	20.1
166.02318	0.9
167.02089	0.9
167.03406	10.5
172.05217	4.1
173.06007	3.3
174.03148	7.4
174.06744	2.1
175.03897	2.7
176.04710	1.1
177.01865	4.2
179.03435	5.4
183.04366	0.6
184.05087	0.8
185.06009	1.4
186.06763	1.7
187.03918	2.6
188.04723	5.5
189.05438	1.2
197.06039	1.3
198.06760	0.6
199.03940	0.6
199.07570	1.2
200.04767	3.0
201.05475	2.4
202.06276	0.9
203.03458	0.7
204.04247	3.7
209.06061	1.6
210.06662	1.6
211.03926	1.1
211.07491	0.7
211.13348	0.8
212.04700	5.5
213.05341	1.0
214.06245	0.7
217.12294	0.8
221.06653	1.4
223.07661	0.9
225.05530	3.6
225.12767	1.1
226.06281	2.0
228.07762	0.7
237.05544	1.2
239.07031	0.7
243.13878	1.1
244.07338	1.6
251.07132	2.3
252.07875	2.1
253.12306	1.1
255.13852	2.8
255.23279	12.8
265.08826	0.8
268.07422	2.3
269.08438	0.8
269.11880	3.8
270.08917	2.3
271.13428	18.6
272.13727	1.5
283.13373	2.5
285.14883	2.5
287.13043	0.9
288.06393	1.2
289.14496	3.7
293.08209	0.7
294.09161	3.3
295.13312	1.6
297.14938	2.0
299.12958	6.4
300.13589	1.1
301.14395	2.2
307.13129	0.7
309.14999	2.1
311.12869	1.0
313.14493	12.3
314.14771	1.3
315.16086	1.9
317.14041	2.5
320.06894	0.6
323.16476	0.8
325.14490	8.4
327.15738	1.0
331.15500	1.3
335.12885	1.0
335.16577	2.3
337.14505	7.7
343.15601	5.3
351.15924	1.4
353.13776	0.8
353.17618	2.0
355.15460	2.0
359.16235	0.8
361.14337	0.7
369.17114	1.1
377.17499	3.5
379.15500	2.2
391.19260	0.8
393.17264	2.6
395.18698	4.6
401.17529	1.5
413.19565	0.8
419.18665	11.0
420.19089	1.3
421.16519	0.8
437.19724	5.4
438.20074	0.9
445.16299	1.1
463.17667	3.2
475.24130	0.7
481.18436	1.0
488.49435	0.6
559.33240	0.6
729.29749	0.7
753.29633	0.6
835.34473	1.7
861.32013	0.9
879.32941	0.8
925.53204	1.0
937.51172	1.0
953.50507	1.3
967.52692	18.4
968.53259	3.8
979.52966	8.6
980.52911	1.5
991.52930	10.2
992.53369	1.6
997.53857	12.3
998.53851	2.5
1001.15717	0.7
1009.53955	1.3
1033.53125	2.3
1049.57947	0.8
1073.33411	0.9
1073.56836	16.4
1074.57080	3.9
1091.56262	3.4
1099.54773	6.2
1100.55835	1.4
1117.55872	100.0
1118.56213	28.6
1135.57007	74.1
1136.57129	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	1147.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
82.20483	0.7
83.04945	0.7
85.02834	2.4
89.02333	2.8
89.03822	0.8
89.68696	0.7
91.92761	0.7
93.03334	4.9
95.01244	1.7
97.02867	1.0
101.02341	4.5
105.03370	0.9
108.02065	1.0
109.02837	2.3
112.94410	0.8
113.02332	4.5
117.03345	2.6
119.04910	2.4
121.02833	8.2
122.03645	11.4
123.00749	1.0
123.04381	2.4
124.01540	1.3
125.02315	1.9
132.02058	14.4
132.02969	1.3
133.02866	9.9
134.03635	72.9
135.04485	4.7
136.01572	7.9
137.02335	7.0
139.03873	1.0
145.02850	2.7
146.03644	2.9
147.04427	11.5
148.01610	0.9
148.05223	6.5
149.02362	21.3
149.04861	1.0
149.06000	19.8
150.03130	69.9
151.00288	3.3
151.03925	11.0
153.05533	1.7
158.03673	1.2
159.04475	1.0
160.01575	64.2
161.02301	3.8
161.06020	1.3
162.03140	2.7
163.03816	2.0
163.07552	1.4
164.04710	4.6
165.01830	2.4
165.05489	62.7
166.02592	4.2
166.05794	2.0
167.03444	1.5
173.06006	2.2
174.03139	1.9
175.03929	69.0
176.04689	27.9
177.01750	5.5
177.05437	3.8
178.02655	11.9
179.03380	2.3
179.07066	5.8
180.04189	5.5
181.04962	6.2
187.03833	0.9
190.02541	1.5
191.03418	1.4
191.07071	38.7
192.04184	4.2
192.07425	2.1
193.04996	79.7
194.05396	3.3
195.06561	51.3
196.06883	1.3
202.02661	2.3
205.04990	4.2
206.05602	1.1
207.06546	10.1
209.11745	1.3
217.04991	6.5
219.06537	2.0
220.03755	5.5
220.07292	1.0
221.04395	1.2
221.08055	1.6
223.06192	1.2
235.06085	100.0
236.06506	4.0
247.05905	1.3
265.07178	61.5
266.07462	3.2
289.07251	1.1
295.08224	82.3
296.08551	4.5
337.09296	33.7
338.09824	1.1
355.10355	34.5
356.10480	1.2
373.12827	1.0
387.10562	0.9
387.14847	1.0
417.15634	2.8
521.87061	0.7
533.16486	4.3
535.16351	1.2
565.20905	9.7
566.20654	1.5
577.20764	1.7
595.21875	12.9
596.22656	1.0
613.23004	3.6
713.26013	3.4
725.25470	0.9
743.26935	6.7
759.25159	1.0
761.28760	4.5
773.28223	1.9
791.29242	5.8
809.30029	4.7
951.33405	4.0
1099.37878	2.1
1147.39929	12.7
1148.41541	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	1147.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01271	0.6
85.02837	1.8
89.02309	3.0
89.03852	0.8
93.03333	4.4
95.01288	2.4
95.04929	1.4
96.95914	1.3
101.02330	5.1
105.03343	1.2
108.02070	2.7
109.02857	2.5
111.00785	0.9
113.02341	3.7
117.03348	3.4
119.03392	0.8
119.04916	2.2
121.02841	8.9
122.03642	9.6
123.00748	1.4
123.04427	2.0
124.01572	1.1
125.02324	2.6
132.02078	12.4
133.02850	12.1
134.03642	75.7
135.04489	7.4
136.01569	23.5
137.02362	11.1
138.03130	1.1
139.03920	1.9
145.02866	6.3
146.03680	4.8
147.04425	15.3
148.01515	1.8
148.05215	6.9
149.02364	29.2
149.05997	24.2
150.03137	55.7
151.00311	2.7
151.03934	33.9
151.21266	0.6
152.01041	1.4
152.04482	0.9
153.01869	1.3
153.05487	2.4
158.03636	1.7
159.04411	1.3
160.01575	50.4
161.02351	6.3
161.04610	0.7
161.06013	3.2
162.03163	5.7
162.06819	1.3
163.03931	4.6
163.07507	0.9
164.04709	8.0
165.01860	1.6
165.05489	45.9
166.02637	5.1
166.05876	2.1
167.03421	2.3
173.02237	0.8
173.05989	3.4
174.03136	2.6
175.03932	58.1
176.04712	33.3
176.06303	1.1
177.01878	7.7
177.05493	8.8
178.02632	11.9
179.03474	4.1
179.05632	1.0
179.07074	8.4
180.04187	3.3
181.04996	8.9
187.03931	1.4
188.04811	1.0
189.05479	1.2
190.02623	1.6
191.03438	2.1
191.07074	43.2
192.04254	4.8
192.07457	1.2
193.04996	78.0
194.05333	3.1
195.06558	24.9
196.06856	1.1
202.02670	2.4
203.03430	0.9
204.04266	0.7
205.05002	5.6
206.05786	1.6
207.06587	12.4
217.04985	6.4
218.05594	1.0
219.06606	2.2
220.03760	5.9
220.07321	2.1
221.08192	1.4
223.06139	1.5
235.06094	100.0
236.06366	5.1
247.05975	1.4
259.06061	0.8
261.28659	0.6
265.07169	53.9
266.07498	3.6
275.84933	0.6
282.05435	0.7
289.07098	1.2
295.08228	79.7
296.08640	5.6
315.08447	0.7
329.10471	1.1
337.09250	9.0
352.40390	0.6
355.10358	37.8
356.10782	1.9
385.12125	0.6
402.13217	0.9
403.14124	1.2
408.13055	0.8
416.14709	2.1
417.15738	3.6
422.27673	0.6
535.15479	1.4
549.17535	2.2
550.18317	2.1
551.19171	1.4
563.19281	1.0
564.20129	2.6
565.20819	16.3
566.21191	2.0
577.20203	0.9
579.18481	0.9
581.20123	0.6
594.20978	1.4
595.21887	19.0
596.22083	2.5
612.21405	0.8
613.22479	1.4
619.23029	0.7
649.22717	1.6
713.14185	0.5
713.25897	14.4
714.25934	2.5
725.26135	4.7
726.26025	1.3
743.27124	32.9
744.27478	5.8
755.27014	2.0
759.25317	1.1
761.28119	7.4
762.28339	1.9
773.27893	8.6
774.28735	1.3
791.29260	11.2
792.29291	2.7
809.29810	0.7
884.55426	0.7
964.91809	0.7
1147.41016	3.2
1148.41516	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1153.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03346	1.2
83.01263	3.1
87.00193	0.5
87.26514	0.5
89.39445	0.5
93.03338	1.5
93.17836	0.5
95.01263	0.6
95.04922	1.0
97.02822	1.5
100.25483	0.5
105.56722	0.5
107.04916	2.2
108.02047	1.0
109.02843	8.7
117.03382	1.2
121.02900	2.6
122.03583	0.7
123.04427	5.5
125.02343	100.0
126.02687	2.9
127.02884	0.6
130.04086	0.6
131.04922	1.5
132.02063	1.1
133.02859	7.8
135.04410	1.9
137.02345	10.9
137.03317	0.9
139.01367	0.6
139.03899	1.7
145.02858	1.0
146.03632	0.9
147.04353	1.0
149.02374	4.6
149.05994	0.5
150.03015	0.8
151.03920	9.0
155.04893	0.7
159.04456	3.1
159.11710	0.6
160.05190	0.5
161.02359	33.8
161.06010	1.2
162.02933	2.6
163.00294	4.4
163.03949	2.8
164.01083	6.9
165.01868	5.7
165.42714	0.6
167.03416	1.9
171.04567	0.8
173.02371	1.0
173.05994	1.2
174.03136	2.0
175.03926	17.7
176.04482	0.6
177.01862	11.7
177.05539	1.7
178.02187	0.9
179.03398	1.1
183.04367	0.7
185.06039	0.7
187.03925	3.8
188.04691	1.6
189.01884	1.6
189.05499	0.9
190.02597	0.7
191.03481	1.2
193.04973	0.8
199.03925	5.4
201.01884	2.0
201.05493	2.4
202.06293	0.9
203.03394	2.4
203.07008	2.8
205.01373	1.4
205.04987	2.5
211.04025	1.1
212.04829	0.7
213.05536	1.4
214.02666	1.5
215.03557	1.0
216.00536	0.5
217.01559	0.6
217.05040	8.8
219.02988	3.5
219.06674	1.3
221.08257	0.6
225.05591	1.6
226.46207	0.5
227.03502	2.4
227.06877	0.7
228.04153	0.8
229.01422	0.5
229.04967	2.2
231.02963	1.7
232.03517	0.6
239.03510	0.6
241.04977	1.3
243.02971	23.6
243.06723	1.3
244.03473	2.4
245.04523	11.5
245.08156	3.9
246.04881	1.3
253.04985	1.5
255.02991	7.4
256.03711	2.6
257.04568	2.0
261.04013	7.8
262.04422	0.6
267.02835	0.7
269.04535	4.5
271.02509	0.7
271.06113	1.1
273.04062	1.6
279.02850	0.7
281.04529	2.0
282.01834	1.2
282.05176	0.5
283.02493	3.0
283.05966	0.9
284.03110	0.8
285.04065	4.6
286.04614	0.7
287.05624	44.0
288.05948	3.4
289.07190	14.6
290.07458	0.8
291.06799	0.7
293.04590	1.7
295.02771	0.8
295.06113	1.3
297.04041	0.6
299.02280	0.7
299.05341	3.0
301.03601	0.6
309.04318	0.6
311.05502	0.8
321.04089	0.7
327.04996	0.9
329.06647	1.7
335.05634	0.7
337.07306	0.7
339.08911	0.7
341.06818	0.8
361.03485	1.1
363.05292	1.2
365.06668	0.6
369.09485	0.7
379.04285	0.7
381.05896	1.1
383.07532	0.6
387.05170	1.4
395.07788	1.8
405.06094	7.6
406.06488	1.0
407.07681	18.6
408.08215	1.9
409.08630	0.9
411.07175	1.8
412.07501	2.0
413.08768	12.5
414.09152	0.8
423.07193	8.9
424.07919	0.8
425.08817	10.5
426.09335	1.5
449.08789	12.0
450.09155	1.3
451.10364	7.8
465.08478	0.6
467.09647	1.0
531.08972	2.7
533.10956	1.7
541.08234	0.6
543.09357	1.7
549.10370	2.0
557.10858	1.1
559.12451	1.5
561.10736	0.8
569.10712	1.5
575.11945	21.9
576.12347	2.2
577.13538	16.5
578.14075	1.9
587.11737	3.3
669.13232	0.6
693.12531	2.1
695.13861	6.2
696.15057	0.8
701.15137	2.6
711.13538	2.2
713.15405	1.5
737.15143	0.6
739.16522	4.9
740.15631	1.0
813.14911	1.3
831.15381	1.4
847.18793	0.9
849.17236	0.9
856.79102	0.6
857.17737	1.3
863.17908	4.3
864.19006	0.9
865.19867	7.5
866.19519	0.8
965.20422	0.8
983.20599	5.7
984.21552	1.3
1001.21899	2.2
1027.23547	1.2
1153.26111	2.5
1154.24841	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1157.554
Annotation	Unknow
Peak:m/z	Relative Intensity
80.96391	0.8
81.03322	2.4
83.01258	7.7
85.02831	1.2
87.00742	1.1
89.02332	2.0
93.03343	2.6
93.28229	0.4
95.01267	1.6
95.04897	1.8
97.02829	3.5
99.04382	1.9
101.02328	3.0
107.04892	1.5
108.02061	0.6
109.02834	5.4
111.00802	0.5
111.04392	0.5
113.02337	0.9
119.03437	0.4
120.02064	0.5
121.02852	4.1
122.03626	1.5
123.04401	2.0
124.01577	0.7
125.02346	42.2
126.02662	1.0
131.04942	0.7
133.02811	1.1
135.04424	3.7
137.02354	31.3
138.02643	0.8
139.03885	0.9
143.04857	0.4
145.02817	0.4
146.03644	17.6
147.04454	1.9
149.02347	1.3
149.05991	0.7
150.03111	1.1
151.03912	2.8
156.05586	0.4
158.03644	0.8
159.04442	6.8
160.05232	2.7
161.02338	1.9
161.04506	0.4
161.05959	1.6
162.03113	1.1
163.00252	1.0
163.03886	0.8
163.99704	0.5
164.01076	9.1
165.01854	20.7
166.02220	0.6
167.03419	13.3
167.04865	0.7
171.04413	0.4
172.05223	4.6
173.05997	2.4
174.03143	8.3
174.06729	2.8
175.03943	2.9
176.00798	0.4
176.04654	1.6
177.01868	4.6
179.03410	7.2
179.05663	0.5
181.05003	0.9
184.05225	0.9
185.05981	1.4
186.02885	0.4
186.06740	1.7
187.03909	3.8
187.07591	0.5
188.04716	5.9
189.05421	1.2
191.03416	0.6
196.05247	0.9
197.05992	1.7
198.06757	0.5
199.03915	0.8
199.07587	0.9
200.04694	3.4
200.08328	0.9
201.05498	3.1
201.08960	0.4
202.06238	1.0
203.03386	0.7
204.04256	3.7
209.06107	1.9
210.06784	1.6
211.03902	1.5
211.07497	0.6
211.13271	0.5
211.70628	0.4
212.04694	5.5
213.05400	0.8
213.09377	0.4
214.06189	0.5
215.07101	0.5
219.06413	0.5
221.06578	2.8
222.06842	0.8
223.07632	1.3
224.04756	1.3
225.05544	4.1
225.09004	0.5
225.12733	0.8
226.06299	1.9
227.03578	0.4
227.06993	0.9
228.04256	0.8
228.07803	0.5
234.06870	0.6
236.04733	0.6
237.05501	1.7
238.06367	0.7
239.07050	1.0
241.12251	0.4
243.06575	0.5
243.13820	1.4
245.11557	0.4
250.06308	0.8
251.07138	2.5
252.07869	2.8
253.12442	0.6
255.13878	2.3
265.08746	0.7
266.09467	0.5
268.07480	2.1
269.04800	0.4
269.08481	0.8
269.11819	3.9
269.15356	0.5
270.05377	0.5
270.08957	2.5
270.12231	0.8
271.13422	22.1
272.13589	1.1
276.07941	0.7
277.08569	0.5
277.21680	4.1
278.05823	0.7
281.08649	0.6
281.11813	0.7
283.13367	3.3
285.04224	0.5
285.15042	2.7
287.05621	0.9
287.12860	2.5
288.06372	1.2
289.07382	0.8
289.14520	9.1
290.14822	0.5
294.08972	4.5
295.13391	3.4
296.10443	0.5
296.13638	0.7
297.14984	3.6
299.12891	5.8
300.13388	0.6
301.14410	3.2
309.14981	1.7
311.13034	0.7
313.14468	12.9
315.16113	2.2
317.13919	3.9
318.14612	0.5
320.06964	0.9
325.14478	9.6
326.14691	0.6
327.15979	1.3
329.13864	0.5
331.15646	3.0
335.16354	2.9
337.14435	6.9
341.13797	0.6
343.15518	5.0
344.15936	0.6
349.18039	1.0
351.16016	1.2
353.17578	3.1
355.15512	3.4
367.19434	0.4
369.17078	1.1
377.17575	4.2
378.18030	0.5
379.15396	2.2
391.14789	0.6
391.19318	1.0
393.16943	2.5
395.18561	4.2
401.17529	1.8
411.17850	0.9
413.19589	1.5
419.18643	10.3
420.18903	0.8
421.16827	0.5
435.18250	0.5
437.19666	7.4
438.19946	0.7
445.16455	1.5
455.20688	0.6
463.17758	2.8
481.18933	0.6
577.26709	1.3
578.27307	0.7
579.26947	0.6
713.30518	0.5
729.29974	2.5
741.30157	0.6
748.49792	0.4
753.29297	1.9
759.30603	0.6
817.32800	0.7
835.33862	4.4
836.34131	0.8
853.34045	0.5
861.31909	0.6
879.33215	2.5
897.34814	0.5
947.50421	1.1
959.49976	1.3
973.51636	1.4
974.50665	0.5
975.49585	1.6
989.51288	17.8
990.51556	3.3
1001.51318	11.8
1002.51611	2.3
1013.51123	12.8
1014.51440	2.9
1019.52332	11.6
1020.53003	2.4
1031.52429	1.1
1055.52405	2.7
1071.55811	1.6
1095.55347	19.2
1096.55554	3.1
1113.55005	4.7
1121.53345	7.2
1122.53345	1.0
1139.54370	100.0
1140.54492	21.0
1157.55457	60.1
1157.82275	1.1
1158.55676	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	1157.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03333	2.6
81.93468	0.4
83.01255	8.2
85.02833	1.1
87.00754	1.3
89.02302	2.4
89.03806	0.5
91.05416	0.4
93.03326	3.1
95.01263	1.3
95.04905	1.9
97.02822	2.7
99.04398	1.7
101.02329	3.0
107.04922	0.8
108.02125	0.5
109.02827	5.5
113.02333	1.2
113.06000	0.5
116.92744	0.7
120.02027	0.5
121.02862	4.0
122.03625	1.3
123.00800	0.9
123.04405	2.5
124.01561	1.5
125.02340	39.2
126.02684	0.8
130.04131	0.5
131.04953	0.6
133.02814	1.2
135.04416	3.4
136.01546	0.4
137.02344	30.6
138.02695	0.6
139.03911	1.1
145.02785	0.7
146.03638	16.8
147.04375	1.4
149.02332	2.3
149.05962	0.9
150.03127	0.8
151.03900	2.5
154.02565	0.4
158.03636	0.7
159.04433	6.6
160.05202	2.7
161.02380	2.3
161.04544	0.4
161.05995	1.1
162.03168	1.1
163.00266	1.1
164.01059	9.1
165.01845	21.5
166.02132	0.5
167.03418	11.7
168.03708	0.5
171.04510	0.7
172.05194	4.6
173.02307	0.5
173.06015	3.1
174.03140	7.9
174.06750	2.8
175.03926	2.6
176.04695	1.6
177.01851	3.7
179.03436	6.9
181.05003	0.5
183.04442	0.9
183.13811	0.4
184.05225	0.7
185.05998	2.1
186.06798	1.7
187.03909	3.4
187.07484	0.4
188.04709	6.1
189.05458	1.8
191.03397	0.7
196.05136	1.1
197.05980	1.5
198.06854	1.0
199.03893	0.9
199.07555	1.3
200.04739	3.8
200.08319	1.0
201.05484	3.4
202.06186	1.1
203.03415	0.5
204.04230	3.1
205.04674	0.4
209.06012	1.5
210.06752	1.2
211.03941	1.5
211.07591	0.9
211.13358	2.0
212.04726	5.5
213.05495	1.6
213.09132	0.5
214.06311	0.4
215.07050	0.5
217.05151	0.4
221.06567	1.3
222.06870	0.6
223.07654	1.1
224.04756	1.4
225.05569	4.3
225.12756	0.7
226.06303	1.8
227.07132	0.7
228.07899	0.6
235.08017	0.8
237.05527	1.7
238.06377	0.6
239.07170	1.0
241.12265	0.6
243.06610	0.6
243.13921	1.2
244.07442	0.9
245.11845	0.5
250.06367	0.5
251.07126	2.1
252.07896	3.0
253.12373	0.7
254.05801	0.7
255.13863	2.4
265.08688	1.4
267.06638	0.8
268.07431	2.3
269.08093	1.1
269.11844	3.5
269.15201	0.6
270.09018	2.6
270.12378	0.9
271.13397	19.6
272.13718	1.1
273.15097	0.6
276.07895	1.1
277.21719	8.4
278.05682	0.7
278.22183	0.6
279.13760	0.4
281.11911	0.7
282.09161	0.5
283.13480	2.6
285.14938	2.6
287.05652	1.4
287.12631	0.8
288.06458	0.8
289.14468	4.4
294.05606	0.8
294.08881	3.9
295.13455	2.1
297.14960	3.6
299.12933	7.1
299.16257	0.6
300.13483	0.7
301.14529	1.8
309.15103	2.0
311.12921	1.0
312.13800	0.5
313.14447	12.0
314.14713	0.8
315.16013	2.5
317.13852	1.8
320.07068	0.9
325.14474	7.5
325.18097	0.6
326.14886	0.6
327.15991	0.7
329.13693	0.5
331.15381	2.3
333.14981	0.6
335.12915	0.7
335.16458	2.8
337.14462	7.8
337.18115	0.7
338.15115	0.5
341.13974	0.4
343.15457	4.7
351.16006	1.7
353.17551	1.9
355.15567	2.2
359.16605	0.7
361.14447	0.6
367.15076	0.5
369.16928	1.1
377.17572	4.2
378.17950	0.5
379.15564	2.4
391.15079	0.8
391.19620	0.9
393.17114	1.7
395.18604	4.3
397.13129	0.8
401.17450	1.5
413.19693	0.8
415.14523	0.4
419.18646	12.2
420.19016	1.7
437.19604	5.8
445.16568	1.9
463.17596	3.9
481.18472	1.2
554.59479	0.4
577.27100	0.6
729.29736	1.0
741.30115	0.7
759.30316	0.6
835.34076	2.9
861.33063	0.6
879.33521	1.9
947.49530	0.5
950.65356	0.5
959.48816	2.2
971.49921	0.7
973.51843	1.8
975.49512	1.4
977.50323	0.7
989.51190	16.7
990.51306	2.8
995.50775	0.7
1001.51166	10.8
1002.52258	1.6
1011.54639	0.6
1013.51050	11.6
1014.51605	1.3
1019.52069	9.6
1020.52283	1.8
1031.52625	1.3
1053.54028	0.6
1055.52344	1.9
1071.55908	2.0
1073.54224	0.6
1095.55298	20.7
1096.55640	3.7
1097.52783	0.5
1113.54626	4.2
1114.56177	0.8
1121.53015	6.7
1122.52905	1.0
1139.54321	100.0
1140.54395	18.6
1157.55371	62.0
1158.55811	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	1169.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
96.96838	4.0
100.81377	0.4
103.20066	0.3
130.81302	0.4
149.55661	0.3
150.97868	0.5
152.99492	64.3
153.99817	0.5
168.13916	0.4
171.00557	19.0
185.94003	0.3
208.32037	0.4
227.03215	3.7
236.36385	0.4
245.04291	77.5
246.04677	1.4
253.21712	42.1
254.22054	2.1
263.54752	0.3
312.95834	0.4
327.47412	0.3
370.79605	0.4
481.25723	100.0
482.26093	7.3
614.20154	0.6
691.37848	0.5
841.23248	1.7
842.23096	0.4
1046.00549	0.5
1169.49438	14.9
1170.50110	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	117.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34792	1.0
59.01261	1.4
67.71481	1.0
70.49492	2.7
70.49837	1.4
71.01252	1.9
73.02829	100.0
74.03172	2.7
76.46467	1.0
99.00791	7.9
106.01761	1.1
116.92762	2.9
117.01836	12.3
131.35336	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.5491
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03341	3.1
83.01260	6.7
85.02817	2.0
87.00740	1.4
89.02312	2.1
93.03336	3.1
95.01270	1.3
95.04895	2.0
97.02810	2.9
99.00725	0.7
99.04382	2.3
101.02328	3.0
105.04008	0.7
107.04900	1.5
108.02034	1.5
109.02846	5.0
113.02330	1.5
113.66566	0.7
119.04903	0.7
120.02068	1.1
121.02862	4.5
122.03623	1.7
123.00776	1.1
123.04404	2.6
124.01553	1.5
125.02343	38.3
126.02714	1.2
133.02859	1.6
135.04382	2.8
137.02351	27.5
138.02655	0.8
139.03938	1.1
142.48616	0.7
145.02849	1.0
146.03651	15.5
147.04420	1.6
149.02362	1.9
149.06055	1.0
150.03125	0.8
151.03923	3.3
152.08614	0.7
159.04411	7.1
160.05212	2.8
161.02315	2.9
161.05992	1.7
163.00281	1.3
164.01071	9.0
165.01860	19.5
167.03406	10.3
172.05226	4.1
173.06049	3.8
174.03149	7.1
174.06731	2.5
175.03917	3.3
176.04631	1.4
177.01874	4.4
179.03386	5.7
179.14146	0.8
184.05217	0.9
185.06029	1.8
186.06746	2.0
187.03909	4.8
188.04691	5.1
189.05426	1.0
190.02405	0.8
195.13841	1.4
197.05923	1.6
198.06787	1.1
199.03954	0.8
200.04684	3.5
201.05516	2.7
202.06264	1.4
204.04239	2.9
205.04942	0.8
209.06067	2.1
210.06836	1.4
211.03961	1.7
212.04739	5.3
213.05505	1.4
221.06566	2.2
223.07584	0.9
224.04727	1.9
225.05516	3.5
226.06265	1.6
227.07060	1.2
236.04669	0.9
237.05542	1.9
239.07120	1.6
243.13829	1.0
244.07324	1.2
245.04567	0.8
251.07103	2.4
252.07870	2.9
254.05942	1.0
255.13887	1.6
265.08755	1.3
268.07367	1.9
269.11868	3.1
270.08899	1.7
270.12650	1.4
271.13394	19.7
272.13803	1.4
281.11725	1.0
283.13312	2.3
285.14984	2.8
287.05719	1.7
287.12845	3.4
287.16418	0.8
288.06247	1.6
289.07034	1.3
289.14383	8.4
293.07895	0.8
293.21255	2.7
294.09036	4.0
295.13437	2.9
297.14978	2.8
299.12894	7.7
301.14505	2.3
309.14990	2.4
311.12854	0.8
313.14523	10.1
315.16016	2.5
317.13879	3.8
320.06839	1.5
325.14478	7.5
331.15485	2.4
335.16418	3.5
337.14423	6.4
343.15515	5.2
351.15799	1.2
353.17688	1.3
355.15601	3.6
369.16971	1.2
377.17538	2.9
379.15472	2.5
393.17133	1.7
395.18808	3.6
401.17709	1.8
413.19763	2.0
419.18661	8.8
437.19879	5.7
445.16745	1.6
463.17523	2.6
715.28027	0.9
729.30200	2.3
753.29755	1.0
835.33984	3.4
879.32507	2.9
975.48883	2.1
993.48206	1.6
1005.50781	17.0
1006.51178	2.2
1017.50403	10.5
1018.52570	1.9
1029.50562	10.4
1030.50549	1.7
1035.51782	11.8
1036.52673	2.0
1044.75525	0.9
1047.50818	1.1
1071.52209	3.1
1111.54675	16.1
1112.55054	2.6
1129.52710	3.8
1130.53992	1.9
1137.52710	6.8
1138.52930	1.7
1155.53845	100.0
1156.54065	21.5
1173.54932	70.3
1174.54858	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	1177.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01269	1.1
85.02821	3.0
85.28017	0.6
89.02306	3.2
91.01785	1.4
91.05374	0.7
93.03330	6.2
95.01273	2.2
95.04883	1.0
100.94268	0.6
101.02329	4.3
105.03284	0.6
107.04895	1.6
108.02049	2.0
109.02838	3.5
111.00759	1.0
113.02338	3.7
117.03367	1.6
119.01263	3.0
119.03326	1.2
119.04915	1.4
121.02855	16.5
122.03635	9.3
123.00787	1.8
123.04405	2.3
124.01547	0.7
125.02364	2.3
131.04936	0.9
132.02060	3.7
133.02872	4.0
134.03644	15.1
135.04413	8.4
136.01563	20.4
137.02359	9.1
138.03143	0.9
139.00278	0.8
139.03934	1.3
145.02859	6.0
146.03658	6.2
147.00777	2.4
147.04405	4.8
148.01573	1.8
149.02350	69.8
149.05954	6.5
150.03143	56.9
150.04121	0.5
151.00294	5.2
151.03925	30.0
152.01042	2.3
152.04456	1.1
153.01852	1.2
153.05486	1.9
159.04446	1.2
160.01575	7.0
161.02345	6.0
161.04427	0.6
161.05984	2.7
162.03156	8.4
163.03932	16.0
164.04700	45.7
165.01875	7.9
165.05484	56.0
166.02631	11.0
166.05885	1.3
167.03432	3.7
169.04990	0.8
173.02356	1.8
174.03125	0.8
175.00294	19.3
175.03917	10.4
176.01012	1.5
176.04697	2.9
177.01839	3.7
177.05487	11.8
178.02652	2.4
178.06233	1.8
179.03450	4.9
179.07048	21.3
180.04221	8.5
180.26617	0.6
181.04979	15.4
187.03922	1.7
188.04671	1.9
189.01860	1.9
189.05420	0.9
190.02647	54.8
191.03413	13.4
191.07114	2.7
192.04224	3.4
193.01392	5.1
193.04993	7.5
193.08530	0.8
194.05711	2.5
195.02971	1.1
195.06558	28.7
203.03439	1.1
203.07037	3.2
204.04243	1.4
205.05006	56.1
206.05772	25.9
207.02979	7.9
207.06555	3.6
208.03714	12.4
209.04381	1.0
209.07899	0.7
217.01337	0.9
217.04968	0.9
218.05751	0.7
219.06604	2.6
220.03760	0.8
220.07390	2.4
221.08145	30.0
222.05331	2.1
222.08569	0.9
223.06075	66.1
224.06473	2.7
225.07668	2.1
232.03688	2.3
233.08212	0.8
235.02467	3.0
235.06062	5.4
237.07632	9.2
247.06064	6.4
250.04811	9.3
251.05334	1.2
251.09309	0.7
265.07169	100.0
266.07617	3.8
277.07272	0.8
280.05701	0.9
285.04016	0.8
287.05963	0.6
289.07159	1.6
295.08234	55.3
296.08459	2.1
301.87436	0.6
302.86682	0.6
310.06995	0.8
315.08878	1.2
325.09290	73.4
326.09549	3.9
329.10364	1.8
337.09363	3.4
355.10486	2.1
367.10324	9.5
371.11505	0.7
372.12143	0.7
373.13153	0.8
385.11407	38.7
386.11896	2.4
387.10477	1.4
387.14777	1.3
390.34637	0.7
401.12512	0.8
402.12659	1.0
403.14093	0.8
416.14679	2.3
417.15533	4.1
533.17316	0.6
535.16779	0.8
549.17657	2.0
550.18365	1.9
551.19318	1.4
563.18219	2.0
564.19946	2.2
565.20770	15.3
566.21350	1.4
577.20752	2.1
594.20837	1.7
595.21826	18.6
596.21960	1.5
613.22748	1.7
625.22614	0.6
649.22937	2.2
684.65985	0.7
713.26093	16.0
714.26416	1.7
725.26099	4.5
726.26495	0.7
743.27136	29.1
744.27100	3.6
755.26880	2.6
761.28278	6.7
762.28485	1.2
773.28125	10.1
774.28809	2.1
778.93005	0.6
791.29364	11.8
792.29401	2.1
803.27869	0.8
809.30658	1.1
1129.38599	1.7
1177.40601	4.1
1178.41187	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	1177.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01278	0.9
85.02828	2.3
87.00761	1.0
88.92903	0.6
89.02319	3.1
91.01769	2.1
91.05408	0.8
93.03328	7.2
95.01241	2.1
95.04880	0.7
99.00727	0.9
101.02316	4.4
102.35283	0.6
107.04935	1.1
108.02043	1.2
109.02833	2.7
111.00745	0.8
113.02335	3.6
117.03337	1.4
119.01290	3.8
119.03472	0.8
119.04894	1.6
121.02843	15.4
122.03632	13.1
123.00812	0.9
123.04385	1.7
124.01565	1.8
125.02368	3.2
132.02057	1.9
133.02895	3.0
134.03653	7.5
135.04448	7.8
136.01537	6.8
137.02348	5.7
138.03038	0.9
139.00255	1.0
140.87776	0.6
145.02834	2.9
146.03622	2.6
147.00775	2.7
147.04424	4.3
149.02345	62.1
149.06001	2.9
150.03131	79.1
151.00249	3.1
151.03929	10.7
152.01064	2.7
153.01874	1.2
153.05478	0.9
159.04375	1.4
160.01575	7.2
161.02394	3.4
161.04524	0.8
161.05927	1.0
162.03146	5.2
163.00269	0.8
163.02686	1.1
163.03935	13.3
164.04700	40.1
165.01866	7.7
165.05486	73.6
166.02660	7.5
166.05829	1.5
167.03374	1.6
169.04997	0.7
173.02345	2.3
175.00279	23.6
175.03896	9.4
176.00983	1.3
176.04669	2.4
177.01857	3.8
177.05489	7.4
178.02626	1.1
178.06239	2.1
179.03423	2.7
179.07042	16.0
180.04175	7.6
180.07397	0.6
181.04977	9.4
183.06616	0.8
187.04048	1.2
188.04695	1.6
189.01857	2.1
190.02635	61.7
191.03423	13.5
191.07074	2.0
192.04178	2.3
193.01387	5.7
193.02870	0.7
193.03447	0.8
193.04971	6.9
193.08623	0.8
194.05658	1.2
195.06561	52.8
196.06874	1.6
203.03360	0.7
203.07057	2.8
204.04259	1.8
205.05005	61.1
206.05754	26.0
207.02922	7.5
207.06427	2.6
208.03705	12.8
209.04434	1.5
210.05237	0.8
217.01334	1.6
218.05899	0.7
219.06548	2.0
220.07257	1.7
221.08134	28.8
222.05255	2.0
222.08556	1.2
223.06071	73.6
224.06357	2.8
225.07675	2.3
232.03709	1.8
235.02402	2.7
235.06085	5.5
237.07635	7.6
243.22668	0.6
247.06104	6.7
250.04793	8.0
251.05562	0.9
251.09297	1.1
256.03500	0.7
265.07162	100.0
266.07526	4.0
280.05991	1.1
289.07159	1.7
295.08221	64.0
296.08542	3.1
310.07162	0.8
325.09274	79.1
326.09616	4.1
337.09286	5.6
355.10355	1.3
367.10324	28.0
368.10645	1.5
385.11386	37.7
386.11874	2.3
387.10452	1.1
387.14795	1.5
401.12256	0.9
403.14032	0.9
417.15628	5.1
535.16376	0.9
551.19037	0.7
563.17816	2.6
565.20844	12.8
566.21234	1.4
577.21063	1.7
586.84424	0.8
595.21851	14.6
596.22455	1.0
611.21674	0.7
613.22882	3.0
713.26233	2.2
725.26093	1.0
743.26984	5.2
761.27783	4.3
773.28174	2.7
791.29175	6.5
792.30396	1.0
809.30640	3.4
810.31018	1.0
839.31421	1.1
981.34131	2.9
1072.25500	0.8
1129.39819	2.0
1177.41528	10.7
1178.42468	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	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00243	4.5
59.01246	3.9
64.01791	2.4
65.01321	19.2
65.99720	14.3
66.00862	1.0
68.01295	3.0
70.91842	2.1
71.01264	2.9
72.99178	1.9
73.02811	2.1
77.01347	5.3
79.02898	1.0
90.61642	0.8
91.02901	8.4
91.05412	1.0
92.01300	7.5
92.02410	5.4
92.03257	1.2
93.00845	6.1
93.03341	4.9
96.75014	0.8
97.74403	0.8
101.92286	1.9
104.02459	1.2
105.03242	1.1
118.04003	2.9
118.92592	3.3
119.01584	1.9
119.02412	24.2
119.03457	8.2
119.04911	100.0
120.00988	1.1
120.01936	20.5
120.02753	2.0
120.04343	2.7
120.05579	59.3
131.97969	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42043	4.3
55.01753	15.3
55.04021	4.1
57.03325	38.9
59.01240	5.4
67.01768	100.0
68.99677	26.9
69.23280	48.1
71.01260	14.8
72.99178	10.5
73.02800	8.8
83.01240	9.1
85.02822	46.9
87.00750	11.5
88.03891	6.9
91.01529	4.9
98.20544	10.7
101.02346	8.5
129.01831	34.8
129.05473	7.1
130.03995	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	131.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00225	1.8
50.47558	0.8
55.01755	1.0
57.03325	11.9
59.01237	3.0
64.01775	1.9
65.01318	11.8
65.60938	1.1
65.99728	2.3
66.01653	0.9
67.02882	6.3
69.03326	13.3
71.01253	8.5
72.99190	2.9
73.02818	8.9
74.03166	0.9
75.00756	1.6
77.01325	3.5
81.04457	1.6
85.02828	53.8
85.06463	100.0
86.03168	2.1
86.06801	5.1
87.04398	9.9
89.01329	12.5
90.00877	3.0
90.01628	1.0
91.02885	8.7
100.12714	0.8
101.02364	1.0
104.02449	4.4
105.04486	3.7
113.02319	2.2
113.05966	2.0
129.05511	1.5
129.21277	0.9
130.02795	4.3
131.03516	73.5
131.04347	5.6
131.07031	35.9
132.01923	2.7
132.03859	3.9
132.05571	10.5
132.07347	3.6
138.44162	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00228	1.5
55.01769	1.2
55.62774	1.1
57.03323	13.0
59.01250	3.1
64.00513	0.9
64.01797	1.4
65.01317	13.1
65.99706	2.1
66.01640	1.5
66.03382	0.8
67.02881	6.9
69.03326	8.4
69.96448	2.2
69.96842	1.7
71.01258	9.5
71.20872	1.0
72.99185	3.0
73.02823	10.4
75.00759	1.8
77.01339	4.2
81.04450	1.8
83.01250	0.9
83.04889	1.0
85.02826	54.2
85.06462	100.0
86.03154	1.1
86.06805	6.5
87.04395	10.7
89.01339	10.3
90.00872	2.2
90.01606	0.9
91.02895	9.1
101.02316	1.2
104.02423	2.9
105.04463	4.0
113.02329	4.6
113.05983	1.4
119.98942	0.8
128.11003	0.9
129.05481	1.4
130.02751	2.6
131.03502	67.7
131.04347	5.4
131.06059	2.1
131.07028	35.0
131.99202	1.0
132.01941	2.3
132.03854	3.6
132.05545	11.1
132.07336	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	133.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81649	2.1
57.03322	2.5
70.66653	6.3
71.01260	85.7
72.01608	4.3
72.99193	21.5
78.17807	2.2
87.04372	3.2
89.02316	7.6
90.96844	2.1
115.00271	100.0
116.00605	4.6
128.62045	2.2
133.01328	16.8
134.04489	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	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.0
64.58161	1.2
70.85830	2.3
70.90163	1.1
71.01255	79.9
72.01568	2.6
72.99181	21.7
74.29942	1.0
87.00782	1.4
89.02337	8.2
115.00259	100.0
116.00607	5.8
122.54230	1.3
133.01318	18.1
139.34198	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	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00224	0.6
56.73009	0.3
57.03325	5.1
64.01792	1.6
65.01318	10.3
65.99722	3.8
66.00839	0.4
67.02892	0.9
68.01296	0.8
69.03333	1.2
71.01256	13.5
72.01584	0.5
72.99179	2.3
79.02856	0.6
81.04438	0.6
82.03984	1.1
85.02823	1.4
87.00771	1.5
87.04395	11.9
88.04733	0.6
89.02332	1.1
90.00858	0.9
91.02905	5.3
91.05414	1.4
92.01319	1.7
92.02419	4.0
92.03233	0.3
93.00810	0.7
93.03362	0.4
95.04923	2.6
100.09286	0.3
105.03319	0.4
105.04485	0.9
105.06978	1.3
106.00361	0.5
106.02900	0.7
106.04063	8.0
107.02391	5.3
107.03538	1.5
107.04268	0.4
107.04953	0.8
108.02074	1.8
110.60773	0.3
115.00259	10.7
116.00587	0.5
121.02833	0.5
123.04413	7.5
130.04155	1.0
131.04927	7.7
132.05714	20.2
133.01361	2.8
133.03967	4.6
133.04987	8.1
133.06496	100.0
134.02422	1.1
134.03516	13.2
134.04613	3.8
134.06828	9.7
138.03139	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24323	2.6
53.00203	26.2
54.37556	2.3
59.01243	7.3
68.83649	2.8
68.99706	6.6
71.01261	56.7
71.30043	4.1
72.99168	3.0
80.15874	2.3
80.99712	7.6
85.02822	5.9
85.44920	2.6
87.00763	14.1
87.04414	4.5
89.03223	2.8
90.69496	2.2
96.99212	29.4
97.99567	3.2
99.04420	4.6
109.63701	2.2
112.98698	36.1
115.00257	11.5
115.91956	2.4
124.98706	91.6
125.02386	3.1
125.99051	3.9
137.75861	2.8
140.98227	10.4
142.99782	100.0
143.03474	6.1
144.00081	7.7
144.04420	2.4
144.06569	5.6
158.99268	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	143.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.9
55.39425	1.9
57.03328	4.6
58.00455	3.6
58.97327	1.7
59.01244	6.2
61.98706	9.6
65.01318	2.9
67.28043	1.7
67.67789	2.0
68.99681	1.7
69.03336	15.2
69.99567	4.7
69.99967	2.9
71.01254	35.1
71.04893	7.9
72.01582	1.7
72.99188	2.5
73.02819	7.4
81.03328	19.7
83.01255	3.7
83.04908	2.5
85.02821	21.8
87.00754	8.4
87.04394	13.4
89.01327	4.3
95.01272	3.0
97.02849	10.0
97.06495	2.9
98.06000	2.6
99.00739	2.8
99.04385	13.9
101.02349	4.4
102.05473	2.5
108.81602	2.0
113.02322	5.3
114.94337	1.9
115.03881	4.7
116.02440	5.1
125.02328	14.6
126.05511	7.5
142.05016	10.2
143.02428	3.2
143.03419	22.3
143.04599	2.4
143.07083	3.5
143.10683	79.1
143.86249	1.9
144.04460	17.2
144.05602	6.4
144.06561	100.0
144.11011	8.2
148.85857	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	145.086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00219	1.6
54.05424	0.5
55.67356	0.6
57.03333	0.6
57.57796	0.5
59.01239	0.7
62.18563	0.6
64.01789	1.6
65.01320	4.1
65.99709	2.3
66.00853	1.3
69.06032	0.6
71.01250	1.4
71.04905	0.8
71.54779	0.8
72.99162	0.6
76.01814	0.8
76.44891	0.5
77.01331	3.9
81.03333	0.8
81.04465	1.5
83.04874	2.1
87.00763	0.9
90.00856	1.2
91.02903	3.0
92.02415	0.6
97.06470	2.2
99.04362	0.9
99.08035	100.0
100.08369	5.5
101.05974	2.0
103.02948	0.7
105.03196	1.2
108.25011	0.6
109.61618	0.6
116.02435	1.4
117.03302	1.0
118.02901	2.7
118.03995	10.5
119.02409	5.6
119.03550	0.8
119.04325	1.2
127.07529	1.2
130.02773	1.6
143.07045	1.4
144.01930	1.1
145.01506	0.9
145.02794	2.0
145.03923	1.4
145.05016	7.6
145.08607	34.3
145.16385	0.5
146.02364	8.1
146.03500	3.9
146.07112	1.6
146.08963	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	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48867	5.5
57.03326	48.8
59.01252	95.1
64.61340	5.5
64.79371	6.4
67.01742	8.0
70.29186	15.5
71.01253	95.9
71.04891	24.3
72.99174	26.9
73.02814	9.3
75.00755	47.8
75.02264	7.1
82.86797	6.1
83.01270	10.9
83.04893	10.8
85.02822	100.0
86.21935	5.9
87.00744	54.0
89.02303	6.9
89.87740	6.2
99.00741	15.6
101.02361	15.6
101.05975	30.5
111.00787	9.1
119.04928	14.2
129.01831	19.7
130.02138	6.8
147.01897	17.0
147.02927	16.7
147.04399	39.1
147.06462	32.1
148.03940	7.8
148.04999	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	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.9
59.01258	18.8
61.07376	3.9
61.19978	4.0
64.01783	6.9
65.01318	55.3
65.99736	23.2
66.00850	5.3
67.02879	10.9
69.32819	35.6
71.01260	20.6
71.26257	4.1
72.99195	7.4
75.00762	16.7
75.53446	4.9
76.33614	3.9
77.01349	5.4
79.02917	8.8
85.02826	6.6
87.00732	5.7
90.00838	11.1
91.02905	10.9
92.02422	5.1
98.20569	9.7
99.00755	6.6
101.03865	8.6
104.02415	6.3
105.03234	6.2
105.04491	24.0
105.13309	4.3
106.04014	42.6
107.02436	9.9
117.01959	5.6
118.03986	9.1
119.02375	6.4
119.04905	20.7
120.01956	26.0
120.04384	10.5
120.05563	17.4
120.70569	4.2
121.02745	5.2
121.04002	22.1
146.03491	4.9
147.01910	17.5
147.03017	28.0
147.04411	76.5
147.05553	10.8
147.06662	14.7
148.01512	10.0
148.03932	10.3
148.05066	100.0
160.66821	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	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	19.0
64.74766	6.7
65.01322	29.4
65.99725	8.0
69.24653	49.7
71.01270	12.4
74.05052	6.1
75.00764	11.4
76.08624	6.1
89.68472	6.9
99.00800	6.2
106.04002	18.6
116.73083	6.8
119.04921	24.5
120.01935	15.6
120.04337	6.8
121.03960	10.2
147.01915	11.5
147.03091	11.0
147.04419	100.0
147.06665	11.3
147.14746	6.2
148.05026	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98918	3.4
58.00460	7.0
59.01254	100.0
60.01608	4.1
64.01793	5.9
65.00215	5.0
65.01327	23.0
65.99720	18.7
67.01759	4.2
67.02876	15.0
68.01273	3.8
71.01257	52.3
71.54212	4.2
72.99183	6.6
73.02824	5.0
77.03831	4.0
79.02898	4.0
81.04473	4.8
82.02843	3.9
83.02377	6.7
85.02831	4.6
87.00738	6.6
89.01825	5.6
89.02325	68.2
91.02904	6.1
93.03367	25.2
95.01250	7.0
95.02364	3.6
95.04897	6.1
99.35312	3.6
99.98294	3.4
106.04010	26.6
107.02369	7.7
108.01959	6.1
108.04419	6.0
108.05531	10.8
109.03951	8.7
110.04704	5.1
120.05592	5.6
121.02856	69.8
121.03744	3.3
121.05108	3.3
122.02378	6.9
122.03518	6.7
123.01900	9.7
131.03452	4.6
131.69833	3.5
132.05595	4.2
134.03642	6.8
149.02380	47.1
149.03427	3.6
149.04414	21.8
149.05927	16.9
149.07021	4.7
150.00064	7.6
150.03038	21.3
150.05576	7.8
150.06639	8.4
154.16002	3.8
167.47392	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	150.0315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.7
65.01317	1.6
65.03841	0.5
65.99729	1.5
66.00834	0.5
67.01750	1.5
67.02895	1.8
69.88731	1.8
71.01258	2.4
81.03306	0.6
81.04460	0.5
83.02359	0.6
89.02330	1.2
93.03336	1.6
95.01281	1.4
95.02414	0.7
101.02325	1.2
107.01257	0.8
107.02436	0.6
107.04904	3.4
108.02038	3.5
108.05556	0.6
109.02847	1.7
109.03959	1.4
120.01918	0.7
121.02843	2.2
122.03648	6.6
123.00782	5.1
123.01870	1.5
123.04433	8.0
124.01528	0.9
136.01566	22.5
137.02377	1.9
139.03935	2.2
149.02361	7.1
150.03136	100.0
151.00301	0.7
151.03886	14.8
151.06023	1.1
154.02643	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.2
65.01315	2.9
65.99730	2.1
67.01772	1.4
67.02883	3.4
68.01278	0.9
71.01254	6.7
71.33463	1.3
73.02818	2.0
78.57386	0.7
79.01758	0.8
81.03346	1.4
82.02901	0.8
83.01257	1.0
83.31573	0.7
89.02325	2.6
91.03999	0.7
93.03335	2.8
95.01255	3.9
95.02422	0.9
95.04924	1.4
101.02323	3.0
105.03379	0.8
106.04009	1.2
107.01246	1.3
107.02357	1.0
107.04894	6.0
108.02052	9.3
108.04427	1.0
108.05583	1.3
109.02863	3.9
109.03949	1.8
120.01909	1.8
121.02861	8.2
122.02333	1.1
122.03676	10.1
123.00780	7.9
123.01898	3.3
123.04423	25.7
124.01542	1.7
136.01564	83.5
137.02374	2.0
139.03909	2.5
149.02344	7.9
150.03128	100.0
151.00331	1.0
151.03941	41.1
151.05962	1.7
151.07568	1.2
151.11256	0.8
154.02655	2.0
164.07600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.3
58.00397	0.3
59.01247	1.7
61.98697	0.4
65.00198	1.2
65.63747	0.3
66.99405	0.2
67.01759	0.4
68.99680	0.5
69.03328	0.4
70.22253	0.9
71.01257	2.1
72.99178	1.1
73.02835	0.6
75.00759	0.5
77.03831	1.0
77.40178	0.3
81.03328	0.6
85.02825	0.9
86.03165	0.4
87.00748	1.7
89.02328	1.0
91.01763	0.7
91.70496	0.3
92.04910	0.7
92.99677	2.8
93.03343	10.5
94.02876	0.5
94.03671	0.6
95.01301	0.5
95.04890	0.6
101.02330	1.2
105.01830	1.0
107.04919	0.5
108.02060	0.7
109.02811	2.0
119.04900	1.8
120.04436	1.7
120.05262	5.5
121.02847	100.0
121.06483	1.0
122.03058	3.9
123.00812	0.3
123.04414	2.3
124.01570	0.3
134.52121	0.3
135.04427	1.4
136.01544	0.4
136.03857	0.4
137.02344	6.0
137.05978	0.8
139.03912	0.5
139.35620	0.3
142.71225	0.3
147.04413	1.8
149.00885	1.3
149.02350	2.2
150.03139	3.7
164.00865	0.4
164.03481	0.7
164.04700	9.6
164.06993	0.7
164.89523	1.1
164.98183	0.4
165.01857	7.6
165.04018	0.8
165.05460	5.4
165.07643	0.4
165.09119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74571	0.4
58.68240	0.4
59.01257	1.7
65.00208	3.0
65.01315	1.1
65.20708	0.3
65.99712	0.5
66.00850	0.5
66.03350	0.8
67.01781	0.9
67.02908	0.5
68.01308	0.5
68.67406	0.3
69.83784	1.8
71.01274	1.2
72.99185	33.8
73.02834	0.5
73.99537	0.7
74.54417	0.4
75.00739	1.0
77.03875	0.6
77.42979	0.4
81.03326	1.2
81.04484	0.7
82.03990	1.1
85.02817	0.7
85.32504	0.3
87.00773	1.1
89.02328	0.6
89.22102	0.4
91.01764	1.0
91.05417	1.4
92.99687	2.1
93.03335	2.5
95.01263	0.6
95.02392	0.6
96.00798	0.5
96.99190	0.7
97.03961	1.6
97.36139	0.4
98.02382	0.6
101.03857	2.6
103.05444	0.5
104.71410	0.4
105.01834	0.6
107.01234	0.5
108.02045	0.7
109.02829	2.2
109.03963	0.4
110.03553	0.4
117.03353	1.1
119.04923	38.5
120.01925	0.5
120.05251	3.0
121.02848	7.8
121.06498	0.9
122.03657	1.8
122.06013	0.4
123.00780	1.4
123.01833	0.6
123.04408	1.5
124.03978	0.6
124.05062	0.8
125.03417	0.4
128.78596	0.4
136.05153	0.6
136.98741	0.6
137.02347	6.3
137.05992	0.4
138.02977	0.6
147.04425	100.0
148.03574	0.5
148.04761	9.0
149.00813	0.8
149.66774	0.3
150.03113	3.3
151.00281	1.9
165.01872	4.1
165.05490	28.3
165.07697	0.8
166.02625	0.9
166.05925	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	165.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54470	0.4
59.01247	0.6
71.01238	0.7
71.31136	0.9
72.99184	36.3
81.03341	0.6
85.02839	0.6
91.05433	1.6
92.66928	0.5
93.03333	1.3
95.02374	0.4
101.03854	1.6
103.05431	1.0
109.02833	0.8
111.28825	0.4
119.04922	39.5
120.05249	2.3
121.02861	3.4
122.06001	0.4
123.00794	0.6
123.04431	0.6
137.02335	2.0
147.04427	100.0
148.04765	8.7
150.03117	1.6
151.00294	1.3
165.01833	1.2
165.05489	27.0
166.05890	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	167.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81416	0.9
59.01246	1.8
65.00191	1.7
65.60749	0.9
67.01754	2.4
68.99691	2.2
69.03337	2.7
70.11051	2.4
71.01260	1.3
74.81665	0.8
78.06956	0.8
80.02557	1.3
81.03349	5.0
83.01246	2.5
83.04895	1.8
84.01676	0.8
91.01762	4.2
93.03334	3.6
95.01266	10.6
95.04916	6.7
96.04414	1.1
97.02850	4.7
97.03973	0.9
98.20432	1.3
99.04408	1.2
107.01245	1.0
108.02058	49.9
108.04457	1.8
109.02291	1.4
109.02892	2.9
111.00774	2.3
111.04410	1.3
113.67703	1.0
121.02857	4.1
121.06470	1.1
122.03661	1.3
123.00790	9.8
123.04418	46.7
123.08043	4.1
124.01583	8.7
124.04780	3.7
125.02349	8.3
126.01861	1.1
134.75142	0.8
135.00804	1.0
137.02318	2.8
138.03143	6.7
139.00322	1.1
139.03911	18.1
139.07515	1.0
140.04240	0.9
149.02396	1.6
151.00360	1.2
152.01064	100.0
153.01489	5.3
153.77171	0.8
166.99725	1.8
167.03421	72.9
167.07130	5.5
167.10687	23.0
168.03934	4.0
168.06535	1.9
168.11143	1.7
170.02142	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	168.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85298	0.3
58.02851	100.0
59.01234	0.3
59.03183	2.1
64.59476	0.3
65.00201	0.4
68.99714	0.6
69.03337	1.0
69.82610	1.0
70.02857	0.8
81.03361	0.5
84.56937	0.3
95.04936	0.4
97.02835	1.6
97.06508	0.6
105.23937	0.3
107.04906	0.4
108.91853	0.3
109.02423	0.5
124.04795	0.5
125.02345	10.3
125.03235	0.6
125.05990	0.8
125.09647	0.5
139.03912	0.4
151.11282	0.6
153.01447	0.7
168.03781	0.4
168.13840	6.0
169.01329	3.6
169.05025	1.1
169.12267	13.3
169.85791	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1227
Annotation	9-Decenoic acid
Peak:m/z	Relative Intensity
51.46400	0.3
69.03327	0.8
69.71809	0.9
69.72216	1.8
73.23531	0.4
81.03332	0.6
83.01292	0.5
97.02846	1.1
125.02330	8.9
151.11194	2.9
153.98964	0.4
169.01378	2.7
169.12262	100.0
170.12610	9.9
177.74629	0.4
187.00558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1226
Annotation	3-exo-hydroxy-1,8-cineole
Peak:m/z	Relative Intensity
56.85075	1.0
57.03319	2.0
59.01251	5.5
61.98706	1.5
65.00189	2.5
67.01741	1.0
68.99686	2.6
69.03328	8.7
70.02525	3.0
71.01254	2.5
81.03340	3.3
83.01247	2.3
83.04918	1.5
85.02824	2.2
87.00763	1.2
95.01256	2.2
95.04897	1.7
97.02826	10.8
97.06458	2.1
98.02339	1.0
98.19759	1.0
99.00748	1.7
99.04433	1.0
102.03348	1.1
107.01299	1.3
107.04922	3.3
109.02837	1.1
113.02328	1.9
122.89341	4.7
123.00797	1.0
123.04420	1.6
124.01596	1.3
125.02345	100.0
125.05968	4.5
125.09622	5.0
126.02693	5.7
139.00342	1.2
139.03870	2.5
141.01848	1.1
151.00285	2.1
151.03922	2.3
151.11191	1.3
153.98997	2.6
169.01353	35.7
169.03734	1.6
169.04045	1.4
169.05104	6.8
169.06245	1.5
169.08623	2.9
169.12262	49.2
170.01663	2.7
170.04526	1.3
170.08102	1.3
170.12616	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	173.0084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13572	0.5
55.01755	2.8
57.03326	4.4
58.00473	1.0
59.01256	3.7
60.99165	1.7
61.56731	0.5
63.22356	0.5
65.03827	1.7
67.01761	20.4
68.02091	1.0
68.99682	1.5
69.03336	4.8
69.60342	2.4
71.01257	29.4
71.04898	0.5
72.01572	0.8
72.99176	5.8
73.02818	23.3
73.21878	0.4
74.03162	0.5
75.00768	0.5
81.03333	4.7
83.01274	4.3
83.04900	10.9
84.05237	0.5
85.02821	18.8
86.03194	0.7
87.00755	1.5
93.03338	100.0
93.87326	0.4
94.03671	6.2
97.02789	0.4
99.00758	14.4
99.04400	7.2
100.07546	0.7
101.02327	2.8
109.02834	1.7
111.00768	60.5
111.04403	18.2
111.08070	2.4
112.01102	3.0
112.04745	1.2
112.67076	0.4
112.98692	1.2
113.02235	0.5
113.21819	0.5
115.00249	1.4
115.03880	0.6
124.98701	5.1
128.07047	1.6
129.01830	5.3
129.05478	0.9
137.02361	9.8
138.02689	0.6
142.99767	8.0
143.03419	1.7
144.00095	0.6
145.02888	0.7
146.17085	0.4
154.99767	6.4
155.03448	3.6
156.93752	0.4
173.00870	4.4
173.02251	0.6
173.04474	8.3
173.05952	0.5
173.08134	0.7
174.04793	0.7
174.07600	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	173.0086
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
55.01753	2.3
57.03341	3.1
58.00467	1.0
58.02845	1.0
59.01247	1.7
60.99180	0.6
65.03829	0.6
67.01768	7.8
68.99694	0.7
69.03322	1.3
69.44299	2.8
71.01263	32.8
71.04909	0.6
72.99187	6.2
73.02827	12.1
73.03236	0.6
81.03341	1.2
82.38110	0.5
83.01270	6.4
83.04910	4.8
85.02833	59.1
86.03179	2.6
86.03662	0.5
87.00749	1.4
93.03345	30.1
94.03687	2.0
96.99186	1.1
99.00764	15.2
99.04394	3.0
100.07585	1.2
101.02327	3.7
111.00777	100.0
111.04411	9.9
111.08106	0.6
112.01102	4.2
112.04719	0.7
112.98689	4.0
115.00281	1.0
117.80846	0.5
124.98708	7.0
125.02455	0.6
128.07063	3.1
129.01852	10.3
129.05479	0.9
130.02194	0.5
132.06471	0.5
137.02357	4.1
142.99770	11.5
143.03397	1.2
154.99803	9.7
155.03424	2.3
156.00116	0.6
160.34331	0.6
162.52837	0.5
170.70529	0.6
173.00853	8.3
173.04477	4.1
174.01572	0.6
174.07674	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	183.1383
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
57.03312	1.8
58.02849	0.7
59.01257	3.4
61.05429	0.6
62.05072	0.4
65.01315	1.8
67.01749	1.5
68.99714	0.9
69.03311	1.8
71.01265	0.8
71.54613	0.9
81.03313	0.7
83.04901	1.6
84.04416	1.0
85.02837	0.5
89.01364	0.6
89.10162	0.5
89.62012	0.5
94.02853	1.4
95.01269	1.0
95.04932	1.1
97.02840	1.5
98.02370	0.7
109.02857	0.7
109.06546	0.6
111.00764	1.6
111.04404	2.0
111.08060	0.6
112.03957	1.2
115.02915	1.2
121.06481	3.0
122.02377	1.0
123.00793	0.8
123.04398	1.0
123.05425	0.5
124.01554	1.9
124.03935	1.2
124.98682	1.4
129.04446	0.7
130.04028	1.2
131.03526	0.6
137.02330	1.0
137.06004	0.9
139.00293	0.9
139.03941	0.9
139.07513	1.6
139.11198	1.4
140.07060	1.9
141.01862	0.8
142.04024	1.2
143.04800	1.4
152.98207	1.6
156.05586	3.6
157.05128	5.0
165.01825	1.3
165.05504	0.8
168.00577	3.6
183.03090	2.5
183.05208	0.5
183.06635	6.5
183.10437	4.0
183.13841	100.0
184.05994	2.6
184.14191	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1177
Annotation	Epomediol
Peak:m/z	Relative Intensity
54.53348	0.4
57.03326	14.0
59.01247	1.8
60.99179	0.6
65.01321	1.8
65.99728	0.7
69.03313	0.6
69.40607	2.7
69.41012	1.0
73.97608	0.4
77.01360	0.5
77.21507	0.4
77.49734	0.4
83.04916	0.7
85.02806	0.6
89.01351	0.7
91.02909	1.1
97.02824	0.6
97.06472	27.1
98.06808	1.0
98.19792	0.8
99.21484	0.5
100.54746	0.4
103.09653	0.5
106.04012	0.6
113.02338	0.5
115.02915	0.6
116.02439	1.4
121.05107	2.9
122.25073	0.4
123.04419	0.5
123.08081	3.3
124.98684	0.5
125.09618	76.6
126.09949	4.9
130.03979	0.7
131.02443	0.6
132.05554	0.9
139.07547	9.7
140.07878	0.6
141.07047	0.9
141.09160	2.2
141.12756	5.5
142.03958	0.9
142.13060	0.6
144.04391	0.5
144.05548	1.3
145.02779	0.6
145.04996	0.5
157.05132	0.5
158.03520	3.3
158.07187	0.7
159.06670	1.3
167.10696	43.8
168.11044	3.7
169.08669	0.6
185.00905	0.5
185.04573	1.7
185.08380	2.7
185.11761	100.0
186.06557	0.8
186.07927	0.6
186.12129	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	187.0243
Annotation	2-Methyl-trans-aconitate
Peak:m/z	Relative Intensity
55.01775	14.0
56.45433	1.3
56.45755	1.2
57.03322	5.0
59.01250	7.2
65.00195	4.9
67.01768	6.2
68.99699	21.9
69.03316	1.5
69.86427	1.5
71.01261	100.0
71.04917	1.5
71.53024	2.0
72.99193	8.3
73.02835	5.5
75.00752	6.4
75.61450	1.6
80.99709	2.2
83.01263	17.0
83.04927	3.4
85.02832	8.6
87.00784	2.0
87.04385	1.9
89.02331	13.2
89.30546	1.3
96.99187	8.9
97.06474	10.1
97.99991	6.2
98.02362	3.2
99.00765	83.5
99.04413	4.2
100.01098	2.3
100.04001	1.8
100.98711	2.7
101.02345	7.6
111.00782	11.8
113.02317	2.2
114.05524	1.6
114.09127	4.2
115.03918	2.2
116.01073	1.5
116.03439	3.6
116.07046	1.8
117.01844	3.6
123.08052	4.0
124.98721	4.9
125.02355	12.7
125.06002	4.3
125.09621	51.4
125.99496	5.1
126.09969	2.1
127.00277	35.2
129.01842	11.6
136.98689	3.3
139.57170	1.4
141.01901	1.5
142.04991	2.9
142.08673	8.0
142.99773	9.1
143.03452	2.5
143.07053	5.9
143.10686	1.6
144.02937	4.0
144.04491	2.2
144.06569	1.6
145.01329	3.3
154.99786	14.8
157.01361	5.8
158.02084	3.3
159.02896	2.7
159.04427	2.6
169.01349	14.4
169.04974	3.1
169.08636	1.7
173.00830	2.2
187.02417	22.0
187.03934	4.0
187.06071	14.0
187.07671	3.0
187.09688	26.0
188.03207	6.2
188.09201	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	191.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	6.6
59.01247	1.3
64.41923	0.1
66.90047	0.2
67.01759	2.6
69.03333	0.2
70.87854	0.3
71.01252	0.5
72.99183	6.8
73.02820	7.8
73.50893	0.1
81.03331	0.2
83.01243	0.8
83.04922	0.3
85.02825	42.4
86.03150	1.6
87.00752	41.5
88.01093	1.2
92.95866	0.2
93.03328	1.5
93.97161	0.4
97.23545	0.2
99.00756	1.4
101.02329	1.5
103.03894	1.0
109.02855	0.6
111.00766	100.0
112.01092	4.6
117.01827	6.5
127.03922	1.0
129.00868	0.3
129.01833	5.7
129.02760	0.3
130.02205	0.3
130.99763	0.3
137.73729	0.1
147.02887	0.7
148.94867	0.3
154.99771	5.0
155.03429	0.2
156.00111	0.2
171.02943	0.4
173.00827	3.8
173.04454	0.4
173.92996	0.2
174.01242	0.3
176.01073	0.6
191.01927	5.3
191.05542	16.3
192.05840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0191
Annotation	2-Dehydro-3-deoxy-D-glucarate
Peak:m/z	Relative Intensity
51.19463	0.3
57.03328	7.6
58.49897	0.3
59.01252	2.0
60.12198	0.3
67.01761	3.8
70.23180	1.0
70.23542	0.5
71.01266	0.6
72.99185	6.8
73.02439	0.7
73.02824	7.6
83.01263	0.8
83.05739	0.3
85.02824	41.2
86.03161	1.1
87.00753	41.8
88.01091	0.8
93.03322	1.2
99.00765	1.1
101.02328	1.2
103.03894	0.7
111.00767	100.0
112.01093	4.3
117.01826	5.7
127.03912	0.8
129.01839	5.7
130.99727	0.4
147.02922	0.5
147.68573	0.3
154.99763	4.4
173.00822	4.1
191.01909	4.5
191.05548	11.1
192.05838	0.6
212.85541	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0191
Annotation	2-Dehydro-3-deoxy-D-glucarate
Peak:m/z	Relative Intensity
57.03323	5.5
59.01249	1.8
61.07235	0.6
67.01751	2.3
69.76305	2.2
69.95768	0.7
71.01237	0.7
72.99178	4.9
73.02822	5.2
83.01266	0.7
85.02824	39.3
87.00753	40.8
88.01097	0.9
93.03329	2.1
93.97845	0.6
99.00751	1.2
103.03857	0.9
109.02827	0.8
111.00764	100.0
112.01107	4.3
117.01841	4.2
129.01842	6.4
154.99776	3.9
156.06456	0.7
173.00854	5.2
173.04518	0.8
176.01051	1.4
191.01903	7.3
191.03630	1.2
191.05531	19.0
192.05894	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	191.0343
Annotation	Pisonin F
Peak:m/z	Relative Intensity
56.45325	0.2
57.03322	1.7
57.17560	0.2
59.01252	2.0
65.01331	0.2
65.99701	0.2
67.01768	0.8
69.03325	0.6
71.01257	1.5
71.34521	0.2
72.99188	0.7
73.02819	1.3
77.03828	0.3
81.03336	0.5
83.02403	0.2
83.04914	0.3
85.02824	17.7
86.03158	0.5
86.19897	0.2
87.00750	13.6
88.01091	0.3
88.02055	0.2
91.01745	0.2
93.03339	3.7
95.01305	0.2
97.02905	0.2
99.00749	0.6
99.04395	0.4
101.02316	0.5
104.02554	0.6
106.03955	0.2
108.02057	0.3
109.02860	0.7
111.00765	22.7
111.04408	1.3
112.01075	1.0
113.02346	0.4
114.23110	0.2
117.01822	0.5
119.01278	0.3
119.04924	2.0
120.04420	0.3
120.05278	0.2
121.02845	100.0
122.03173	6.1
125.27319	0.2
127.03901	2.3
129.01845	1.7
131.03387	0.4
135.04396	0.4
137.02376	0.3
147.04422	6.8
147.05586	0.4
148.01544	1.0
148.04901	0.9
149.04591	0.2
154.99730	0.3
158.79140	0.2
163.00230	0.5
163.03903	1.1
166.79604	0.2
171.02930	0.7
173.00810	0.9
173.04413	0.8
176.01068	4.0
176.04750	0.6
177.01755	0.6
191.01877	2.4
191.03500	8.4
191.05551	41.2
191.10490	0.9
192.03853	0.7
192.05943	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	191.0343
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
55.01760	0.4
57.03321	1.6
59.01250	2.6
65.99718	0.3
67.01756	0.8
69.03314	0.6
70.55515	0.4
70.55855	0.7
71.01252	2.7
72.99199	0.6
73.02812	0.8
81.03343	0.7
81.45850	0.4
83.04903	1.1
85.02826	23.8
86.03175	0.7
87.00758	7.5
90.05097	0.3
91.01804	0.6
93.03335	5.3
95.01275	1.0
98.20480	0.3
99.00755	0.6
99.04392	0.6
101.02359	0.5
104.02566	18.1
105.02895	1.0
107.90396	0.3
108.02071	0.3
109.02851	1.6
109.08615	0.4
111.00764	8.7
111.04402	1.9
112.01083	0.3
113.02361	0.4
117.01808	0.4
119.01270	0.5
119.04906	1.0
120.02019	0.9
121.02826	0.8
122.03519	0.5
123.00818	0.8
127.03902	2.8
129.01813	0.8
133.02795	0.4
136.01543	0.3
139.90265	0.4
147.04417	1.3
147.08037	0.5
148.01570	18.3
148.03967	0.6
148.05031	0.6
149.01985	1.1
154.99713	0.4
163.00288	2.1
163.03931	0.9
163.07527	0.5
171.02908	1.0
173.04547	1.7
176.01077	100.0
177.01439	7.8
177.03896	0.5
180.00623	0.5
190.99826	1.5
191.01909	1.8
191.03485	19.0
191.05553	78.3
191.10709	1.1
192.00552	0.5
192.03809	2.0
192.05885	3.9
192.07468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0555
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03321	0.4
58.00434	0.2
59.01250	3.3
64.56754	0.2
67.01767	1.1
69.03313	0.8
69.75671	0.7
71.01266	1.9
73.02814	0.9
81.03333	1.0
83.04880	0.6
85.02826	20.2
86.03159	0.5
87.00751	4.3
87.98748	0.2
90.21184	0.2
91.01755	0.3
93.03337	6.3
93.48324	0.2
95.01289	0.2
99.04400	0.7
101.02328	0.3
104.64236	0.2
109.02837	1.5
111.00768	0.9
111.04423	1.8
124.68612	0.2
127.03900	3.8
129.01874	0.3
129.05493	0.3
143.03334	0.3
147.38379	0.2
155.03380	0.3
171.02907	0.8
173.04472	1.9
176.01083	0.9
191.05556	100.0
192.05908	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	191.0555
Annotation	Quinic acid
Peak:m/z	Relative Intensity
50.35554	0.2
54.84307	0.2
56.69585	0.2
57.03310	0.4
58.79541	0.2
59.01248	2.5
67.01765	0.9
69.03324	0.3
69.68394	0.8
71.01262	1.9
72.99180	0.2
73.02827	0.7
78.80323	0.2
81.03335	0.6
83.04903	0.7
85.02827	20.3
86.03170	0.7
87.00756	4.3
88.01074	0.2
93.03339	6.3
94.03673	0.2
95.01260	0.3
97.02837	0.2
98.19795	0.2
99.04399	0.6
109.02843	1.8
111.00770	1.3
111.04399	2.5
113.02354	0.3
125.02364	0.2
127.03915	4.7
137.02333	0.3
143.03397	0.3
155.03476	0.3
171.02911	1.6
173.04475	2.2
176.01079	0.6
176.14461	0.2
191.05550	100.0
192.05890	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	191.0554
Annotation	Quinic acid
Peak:m/z	Relative Intensity
55.01743	0.3
55.98552	0.2
57.03320	0.7
59.01250	4.5
60.99183	0.4
64.63667	0.2
67.01763	1.5
69.03322	0.8
71.01252	2.6
71.30747	0.4
73.02827	1.4
81.03340	1.4
83.04897	1.5
85.02824	29.5
86.03151	1.1
87.00756	6.9
93.03337	9.0
94.03688	0.6
99.00684	0.3
99.04389	1.3
101.02317	0.3
108.02076	0.5
109.02834	2.9
111.00775	2.3
111.04395	2.7
113.02310	0.6
115.03887	0.2
116.58857	0.2
121.48628	0.2
122.86163	0.2
125.02338	0.4
127.03910	5.3
128.04237	0.4
137.02293	0.4
143.03406	0.3
153.01833	0.3
155.03375	0.3
156.91467	0.2
171.02942	1.4
173.04500	2.4
176.01086	0.9
177.01692	0.2
191.05544	100.0
192.05887	6.6
192.07674	0.3
195.47121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.2
57.03316	2.3
57.11581	0.6
58.00464	0.9
59.01249	8.6
65.00170	0.6
65.01315	0.8
65.99720	0.8
67.02882	0.7
68.99685	0.8
69.03323	5.8
71.01255	15.8
72.99182	2.7
73.02821	14.1
75.00751	1.0
79.01778	0.9
81.03339	2.3
81.04461	0.7
83.01270	6.3
85.02826	18.0
85.99987	2.5
87.00748	13.7
89.02316	1.7
93.03333	1.5
94.64445	0.6
95.01278	4.4
97.02824	7.2
99.00762	15.7
101.02322	19.1
101.55616	0.6
106.04134	1.3
107.04965	0.7
108.02042	1.7
109.02859	1.9
109.03962	1.0
111.00764	2.6
112.01558	1.4
113.02331	4.7
113.18927	0.6
115.03896	1.1
117.01785	0.7
117.03395	0.7
121.02834	4.4
123.00770	3.2
123.04414	1.6
123.05433	0.7
124.01585	0.7
125.02332	5.8
133.02853	21.7
134.03641	27.7
135.04384	2.4
135.16344	0.6
136.01588	1.0
136.04985	0.9
137.02356	19.2
137.03435	1.0
138.02596	0.8
139.03926	5.3
140.01082	2.0
141.01857	4.9
142.02512	0.8
142.69946	0.6
148.47557	0.6
149.02376	1.5
149.04324	0.6
149.05986	4.6
149.09654	0.7
149.99435	1.1
150.03146	4.0
151.03899	0.9
155.03374	3.4
159.02843	1.0
161.02359	25.6
161.04480	23.5
162.02727	2.2
162.04747	0.9
163.03911	9.9
165.01790	0.9
165.05455	1.2
175.06084	1.6
177.98967	1.9
178.02641	33.7
178.06189	4.8
179.03052	3.2
179.06561	0.8
191.05563	0.7
193.01353	2.5
193.05008	100.0
193.07066	14.8
193.08717	2.1
194.05367	8.8
194.07324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0864
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
57.72934	0.2
58.00459	0.2
59.01254	1.3
59.03512	0.2
65.03851	0.3
69.03345	0.6
69.26921	2.3
71.01250	2.3
72.99182	0.5
73.02821	2.2
81.03345	0.3
83.01298	0.4
83.39076	0.3
85.02837	1.9
87.00759	1.8
93.03345	0.4
95.01263	0.7
97.02837	1.0
98.20548	0.6
99.00751	2.0
101.02327	3.0
107.04939	1.3
108.02036	0.4
109.02878	0.3
111.00769	0.3
113.02341	0.7
121.02894	0.4
123.00790	0.7
123.04424	0.3
125.02348	0.9
133.02934	0.4
134.03636	2.4
135.04420	35.5
136.04758	2.2
137.02370	1.2
137.05894	0.3
140.01112	0.2
141.01837	0.7
149.06013	1.1
151.03821	0.3
155.03406	0.4
161.04457	3.3
163.03925	100.0
164.04262	7.7
177.05545	0.5
178.02760	7.6
178.06276	65.6
179.03252	0.9
179.06624	5.6
193.01379	0.6
193.05000	2.5
193.07088	1.8
193.08659	6.5
194.09029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	1.0
55.70804	0.2
57.03352	1.1
58.00487	0.7
58.02874	0.3
59.01252	4.9
65.00224	0.3
65.01334	0.4
67.01764	0.5
67.15614	0.2
68.99710	0.4
69.03328	2.8
71.01256	8.9
71.54940	0.4
72.99187	1.4
73.02823	6.8
75.00758	0.3
77.66632	0.3
81.03347	0.7
81.98193	0.2
82.02855	0.3
82.04020	0.4
83.01259	3.2
83.02391	0.5
85.02824	8.3
85.36076	0.3
85.99987	1.2
87.00758	7.0
87.01268	0.5
89.02346	0.5
93.03326	0.7
95.01267	2.2
97.02837	3.7
99.00762	7.5
101.02325	10.9
106.04110	0.5
107.04936	1.0
108.02090	1.1
109.02859	1.0
110.03565	0.3
111.00795	1.1
112.01560	0.5
113.02328	2.5
115.03867	0.5
117.01820	0.3
117.03348	0.4
119.04903	0.3
121.02867	1.2
122.03609	0.6
123.00772	1.7
123.04427	0.9
125.02330	3.6
125.49494	0.3
127.03892	0.5
131.03426	0.3
133.02866	0.9
134.03632	6.7
135.00780	0.5
135.04420	27.4
136.04741	1.5
137.02373	1.6
137.73172	0.3
139.03967	0.5
140.01096	1.0
141.01842	2.8
142.02547	0.4
149.02353	0.7
149.04234	0.3
149.05968	2.6
149.99487	0.4
150.03111	0.9
150.06525	0.3
151.00262	0.5
151.03931	0.5
151.05042	0.4
155.03401	2.2
159.02863	0.6
161.04469	12.1
162.02596	0.2
162.04755	0.8
163.03920	100.0
164.00827	0.3
164.04257	7.8
165.01872	0.3
165.05492	0.4
173.04491	0.4
175.06032	0.7
177.99020	1.2
178.02684	16.1
178.06271	57.9
179.03093	1.2
179.06609	5.4
191.05498	0.4
193.01404	1.4
193.04990	6.1
193.07074	6.7
193.08661	6.6
194.05502	0.4
194.07362	0.4
194.09033	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1384
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
58.03755	0.3
59.01253	0.4
60.37893	0.3
60.94275	0.2
65.93806	0.3
69.69814	0.3
71.18769	0.6
83.04893	0.3
88.84158	0.2
99.08007	0.3
109.05779	0.5
109.06477	3.9
110.06768	0.4
111.08049	3.7
121.02842	0.5
122.03622	0.5
123.04379	0.4
125.02362	0.3
125.09617	0.9
132.41472	0.3
135.11703	0.6
138.06763	0.7
139.07515	0.3
150.03111	0.6
151.03912	0.5
151.11188	0.7
160.84155	0.8
165.01907	0.4
165.05522	0.4
165.12737	0.2
167.14325	6.8
168.14716	0.5
179.10686	5.2
180.04175	0.9
180.11249	0.6
185.25017	0.3
195.13846	100.0
196.14183	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	195.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	38.2
61.98705	20.7
66.03344	7.6
68.99705	7.0
69.03345	6.3
71.01263	43.2
71.04912	5.5
71.53596	6.4
76.86064	6.1
81.03355	6.7
83.01285	6.0
85.02829	8.7
87.00740	9.3
89.02327	14.4
93.03350	7.4
95.01272	15.0
95.04934	9.7
97.02898	6.4
101.02345	38.0
103.91924	12.9
107.04909	6.1
108.02034	6.6
109.02813	9.8
111.04398	6.6
114.37988	5.5
121.02830	21.8
122.03632	8.4
123.00744	14.3
123.04442	31.2
124.01582	9.5
125.02377	12.0
135.04407	8.2
136.05164	19.6
137.02342	27.0
142.78911	5.8
150.03145	60.0
151.03929	27.1
151.07535	18.3
153.01881	6.5
160.68022	7.5
160.84128	73.7
165.01854	41.7
165.05496	34.7
176.98264	8.7
177.05563	7.5
180.02908	6.5
180.04263	100.0
181.04541	8.9
194.99249	10.1
195.02917	22.5
195.06577	67.3
195.08611	22.8
195.10228	10.0
195.13785	27.9
195.81004	29.8
196.06158	5.7
213.23099	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	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01752	0.7
59.01236	1.2
61.98704	0.7
65.00201	0.5
67.01764	0.4
69.03327	1.2
71.01264	0.4
71.04903	1.2
83.01296	0.4
83.04904	1.0
85.02875	0.5
85.06509	0.4
93.03328	0.5
95.01243	2.1
95.04929	0.6
97.02871	0.6
97.06470	16.1
97.07106	0.8
98.06806	0.6
98.19787	0.9
99.08022	5.0
107.04910	0.8
109.02803	1.5
109.06479	1.2
111.00788	0.6
111.04401	0.7
111.08071	0.7
121.02861	1.3
122.03607	2.6
123.00784	7.0
123.08065	0.5
125.02321	1.5
125.09618	0.6
126.03086	0.7
126.90413	1.2
127.82597	0.4
137.02357	1.3
137.09630	1.8
137.99478	0.5
138.03165	2.2
151.11214	1.3
153.01917	0.7
153.05504	2.7
153.09196	1.5
153.12759	100.0
154.13098	9.1
155.03499	0.5
160.84123	1.2
162.83826	3.4
166.99774	5.9
171.06734	0.9
178.99870	0.6
179.03470	1.2
179.10706	21.4
180.11070	1.9
182.02158	8.9
183.02469	0.4
197.02126	0.7
197.04488	3.4
197.06108	0.7
197.08112	2.1
197.09909	0.8
197.11768	9.9
197.80702	2.4
198.07663	0.9
198.12178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1283
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
56.13802	0.3
56.65682	0.3
58.02849	0.3
59.01247	0.9
63.07023	0.3
65.01331	0.5
65.99731	0.6
67.02886	0.3
68.01279	0.3
69.03329	0.3
69.29796	0.7
69.30198	2.0
71.01264	0.4
72.69391	0.3
90.78405	0.3
93.56087	0.3
97.06491	0.4
99.08051	0.6
106.03982	0.5
107.02440	0.4
107.88270	0.3
109.03972	0.4
118.04053	0.3
120.05547	0.4
125.09631	0.9
127.11184	13.9
128.11531	1.0
130.10893	0.3
131.05005	0.5
133.04083	0.4
133.05107	0.4
133.47777	0.3
134.03520	1.0
137.09627	0.5
139.11198	0.6
146.03551	0.4
155.10692	8.1
156.11043	0.5
157.12254	52.7
158.12590	3.4
159.04494	0.6
160.05183	0.4
161.04639	0.4
175.03928	0.5
176.04573	0.7
184.96767	0.3
185.11792	0.9
201.11293	1.0
203.03479	0.8
203.05592	0.9
203.12830	100.0
204.10341	0.4
204.13155	9.0
215.14529	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1592
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
54.13795	0.1
59.01239	0.3
71.01249	0.2
71.33666	0.2
72.99160	0.2
87.00739	0.1
101.54552	0.1
115.00221	0.2
121.90926	0.1
161.06000	0.2
164.07048	0.2
166.03882	0.1
189.12790	1.4
190.13106	0.3
205.04993	0.5
205.15924	100.0
206.16260	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	206.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30390	0.7
53.98350	0.6
55.01775	1.2
57.03331	4.9
58.00468	3.6
58.02864	3.5
59.01256	32.7
60.01593	1.6
60.99172	3.7
68.99692	10.6
69.03337	1.1
69.42426	4.8
71.01263	19.8
72.01611	1.0
72.99188	40.9
73.02821	9.5
73.99527	1.4
75.00756	13.1
76.95467	0.6
78.67356	0.6
79.95615	0.9
83.01268	5.1
84.99191	5.5
85.02831	10.7
87.00761	52.7
88.01104	2.8
89.02333	1.9
95.01279	1.8
96.95918	1.0
96.99232	1.6
98.19814	1.6
99.00766	13.9
99.04408	0.9
99.39422	0.7
100.01610	1.4
100.98685	9.7
101.02330	6.8
102.02705	1.0
103.00258	9.5
109.02905	0.9
111.00748	3.5
112.01118	1.0
112.98707	16.2
113.02335	13.5
114.66196	0.7
115.00271	3.1
116.00594	2.2
117.01831	3.8
117.59520	0.6
118.03214	2.0
124.01501	0.7
125.02354	1.3
126.02702	3.3
128.98215	1.1
129.01840	18.2
130.99774	100.0
131.03419	2.2
132.00090	3.7
135.04482	1.0
142.99817	5.2
144.00571	21.5
144.03696	0.8
145.01346	57.6
146.01688	3.2
147.02904	1.4
149.02402	0.7
157.01343	24.5
158.01736	1.4
164.07034	1.4
175.02487	1.8
177.01917	3.1
192.04222	3.6
199.83220	0.6
206.04282	28.8
206.09415	1.1
207.03030	1.6
207.04799	2.7
207.06627	2.5
207.08479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15163	1.3
56.52760	1.3
58.02850	39.0
58.65473	1.5
59.01251	7.4
66.14986	1.5
68.79839	1.4
70.02849	13.8
71.01247	3.4
72.00782	5.2
74.02369	1.5
75.00756	4.3
76.48001	1.5
76.80242	1.4
83.02351	1.4
91.05414	6.2
96.95910	3.2
97.04037	1.2
99.22777	1.4
108.01983	1.4
121.02881	2.2
122.89251	1.5
122.90192	1.5
135.04414	3.7
147.04416	38.0
148.04819	3.4
149.02321	4.6
162.09174	2.5
163.00232	3.7
163.03967	2.7
164.07085	100.0
165.07407	6.8
177.01833	20.9
190.99854	1.6
192.00529	2.5
192.04218	21.9
206.04628	4.4
206.08160	39.4
207.02930	4.8
207.04890	1.9
207.06691	10.9
207.08456	2.9
207.10234	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	206.0817
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
51.50694	0.5
58.02848	37.5
59.01247	1.8
59.09012	0.6
61.90914	0.5
67.46608	0.5
68.41901	0.5
69.47250	2.5
69.47657	0.9
70.02854	14.5
70.49416	0.4
71.01231	1.5
72.00782	6.5
75.00751	2.2
85.02812	0.9
86.39059	0.6
86.39672	0.5
91.05408	5.6
98.20580	1.0
109.03925	0.6
113.02372	0.6
119.04861	0.6
135.04404	3.2
140.68051	0.6
147.04422	41.3
148.04785	2.3
162.09135	1.3
163.00345	0.9
163.03914	1.1
163.07571	0.9
164.07085	100.0
165.05463	1.4
165.07434	6.4
177.01877	5.7
192.04224	7.4
206.08176	33.6
207.02895	1.9
207.05032	1.3
207.06612	3.4
207.08546	2.6
207.10242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	15.1
57.03321	22.5
59.01247	58.5
69.68255	54.4
71.01253	74.2
72.99171	60.0
73.02831	61.7
74.82643	7.9
75.00756	27.2
83.01273	58.0
85.02822	36.3
87.00734	48.3
89.02295	14.0
91.81606	9.4
99.00759	41.0
101.02327	60.2
103.00261	18.8
108.64963	10.0
109.02821	17.9
110.02364	10.6
113.02352	32.6
115.00246	13.5
117.01830	34.5
121.02818	12.6
123.00780	14.4
123.04429	10.4
127.00269	100.0
129.01849	26.3
133.01320	25.1
135.04448	11.6
136.93915	15.0
149.02318	21.3
149.71634	9.8
163.03860	13.3
164.92668	11.5
177.01877	95.3
189.00313	46.7
192.04256	85.3
207.01387	36.3
207.03252	13.6
207.04993	52.4
207.06671	31.1
207.08333	10.4
207.10205	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0658
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
59.01234	1.0
61.98700	1.3
64.48306	0.3
69.03313	0.3
71.01242	0.5
71.02545	0.5
71.02880	0.3
73.02800	0.3
75.00766	0.4
77.03852	0.3
81.03299	0.3
83.01237	0.4
85.02823	0.4
93.03313	0.3
95.04865	0.5
99.00707	0.4
101.02333	0.6
105.03344	4.6
109.02860	0.3
121.02863	0.5
123.04388	0.9
133.02855	33.7
134.03152	1.8
135.04372	0.6
148.01546	0.3
149.02342	2.8
151.03902	0.7
160.76411	0.3
163.00266	0.5
163.03864	0.4
163.07570	0.6
164.01048	0.4
164.04671	2.7
165.05110	0.3
177.01855	15.5
178.02202	1.2
178.99783	0.4
192.04211	100.0
193.01605	0.3
193.04538	8.3
207.02997	1.2
207.06581	18.1
207.10023	0.6
207.13908	1.7
208.03833	0.3
208.06970	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	209.0298
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
51.56255	0.6
55.01755	2.4
55.70181	0.5
57.03322	15.7
59.01250	17.2
62.51131	0.6
68.99693	1.4
69.83585	2.5
71.01253	32.0
72.01599	1.1
72.99190	6.7
73.01044	1.3
73.02821	1.3
75.00752	3.8
75.81459	0.5
76.01122	0.7
79.84748	0.6
83.01254	3.0
84.02029	4.1
85.02825	100.0
86.03161	3.5
87.00762	6.8
89.02322	9.2
91.04686	0.7
96.95832	0.7
97.02814	0.7
99.00751	1.6
101.02326	1.6
103.00230	1.8
103.02108	0.8
103.86863	0.6
111.00756	2.4
111.39863	0.6
112.98686	0.9
115.00272	1.7
121.03107	2.3
129.01845	11.8
131.03398	0.7
133.01331	7.5
141.01846	0.7
142.99768	3.6
147.02908	2.2
159.03049	0.8
166.05060	0.5
173.00838	2.5
177.39139	0.7
191.01907	21.9
191.05409	0.8
192.02304	1.5
209.02980	20.2
209.04588	1.2
209.06497	8.4
209.11824	0.7
210.03394	0.8
210.06955	0.7
216.63097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.3
69.38009	2.2
81.03345	0.9
82.15156	0.3
85.02868	0.8
93.84593	0.3
105.04841	0.3
107.04915	1.2
108.02041	0.4
109.02872	0.6
117.22017	0.3
121.01977	0.4
121.02845	6.8
123.04409	5.0
124.04791	0.3
135.04453	0.3
136.01590	0.9
137.02245	0.3
150.68205	0.3
151.03917	27.4
152.04283	2.2
165.05473	0.7
167.03331	0.3
179.03421	100.0
180.03748	6.5
183.06625	0.3
193.04959	1.5
194.05777	91.0
194.28296	0.3
195.06108	7.1
202.78178	0.3
209.04573	1.9
209.08141	23.2
209.11681	0.9
210.08516	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	209.1178
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
59.01242	2.8
61.98712	3.7
62.31301	0.6
65.00201	1.0
71.43140	1.2
75.69950	0.7
80.02549	3.0
80.46302	0.7
81.03341	3.4
83.04894	11.2
85.02825	1.0
88.74847	0.7
89.58370	0.7
92.99716	1.1
93.03339	1.5
95.04907	1.2
98.14675	0.6
108.02056	1.0
109.02798	1.1
109.06454	0.7
121.02847	37.0
122.03191	2.2
123.04392	1.7
124.03909	1.3
125.05959	1.7
135.08020	1.8
136.98647	1.6
137.02409	1.0
138.01974	0.8
151.03871	1.3
161.02359	2.1
163.11200	9.6
164.94048	1.3
164.98186	1.2
165.05457	1.4
165.12732	5.8
166.02667	0.7
172.64732	0.7
176.04810	0.7
178.99786	0.7
179.03412	4.8
181.04935	0.9
181.12271	1.5
185.38928	0.7
191.03438	0.8
191.10628	1.5
194.02132	2.7
194.05818	3.3
199.01796	0.7
209.01051	0.7
209.04495	7.4
209.11771	100.0
209.94803	1.1
210.12119	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	209.1178
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.84376	0.5
54.89149	0.5
57.03328	0.4
58.82919	0.4
59.01244	1.5
60.14800	0.4
61.98708	5.0
63.14463	0.4
67.01760	0.6
71.01254	0.8
72.42922	0.5
72.77647	0.5
80.02553	2.7
81.03326	2.5
83.01286	0.5
83.04899	11.1
85.02812	1.7
91.01736	0.5
92.99689	0.5
93.03337	1.9
94.02873	1.3
95.01269	0.9
95.04896	2.1
97.06463	0.5
108.02051	0.8
109.02830	1.2
109.06493	1.1
120.02045	0.5
121.02848	40.2
122.03056	2.3
123.00793	1.0
123.04412	1.9
124.03973	2.4
125.02319	0.9
125.05973	1.4
133.02812	0.5
135.04401	1.3
135.08075	1.3
136.01543	0.9
137.02309	0.7
137.05972	2.1
137.09726	0.5
150.03151	0.6
151.00238	1.0
151.03871	1.1
156.05551	1.0
161.02356	1.2
163.03857	0.5
163.11212	8.0
164.11542	0.5
165.05450	1.4
165.09103	0.7
165.12776	4.0
166.02585	0.5
166.04985	0.7
167.03406	0.9
176.04700	0.7
178.99744	0.7
179.03461	3.7
181.04933	0.6
181.12273	1.7
183.06700	2.4
191.07021	0.6
191.10721	1.4
194.02104	2.0
194.05814	3.2
209.04523	9.2
209.11778	100.0
209.94849	1.0
210.07802	1.9
210.12112	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	209.1177
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
53.34337	0.4
57.03318	0.6
59.01260	2.3
61.98702	15.6
65.00174	0.6
69.03340	0.9
71.01273	0.7
80.02553	2.6
81.03352	2.6
83.01269	0.9
83.04897	10.0
85.02809	1.3
89.12558	0.4
91.01787	0.6
93.03320	1.5
94.02853	1.1
94.72198	0.4
95.01271	0.9
95.04926	2.2
97.02853	0.7
97.06441	0.6
105.03292	0.5
107.04916	0.6
109.02894	0.7
109.06499	0.6
110.71744	0.5
111.00735	0.5
111.04375	0.7
120.02059	0.5
121.02848	53.8
122.03100	2.9
123.00747	1.2
123.04459	1.2
124.03921	1.8
125.02347	0.8
125.05971	1.3
135.04422	1.5
135.08022	1.5
136.01541	1.0
137.02333	1.4
137.06061	1.1
139.03896	0.6
147.08090	0.6
149.02409	0.6
150.03093	0.6
151.03893	1.3
161.02328	2.1
163.11198	6.5
164.11572	0.9
165.01830	0.8
165.05484	1.9
165.09125	1.1
165.12767	5.1
166.13045	0.6
167.03366	0.6
176.04718	1.0
178.99870	1.1
179.03435	5.7
181.05020	0.8
181.12244	1.3
183.06641	0.6
191.10672	1.6
194.02116	2.0
194.05824	5.2
195.01366	0.5
209.04503	10.7
209.08273	3.4
209.11774	100.0
209.94826	5.1
210.04922	0.8
210.07819	0.8
210.12111	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	211.1335
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01255	0.6
61.98718	2.1
65.01279	0.3
69.03327	1.1
69.84418	0.4
71.01292	0.3
71.53283	0.5
81.03374	0.4
83.04897	0.8
85.02834	0.4
97.06464	0.5
125.02311	0.5
137.02327	0.7
148.15085	0.4
152.14998	0.3
163.03905	0.5
165.12743	0.8
167.10710	1.1
167.14342	1.5
181.12308	0.4
183.13837	15.0
184.14169	1.1
193.12273	3.7
211.06055	1.2
211.13347	100.0
212.13699	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	213.1491
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
55.01735	0.3
59.01242	0.9
61.98684	0.6
64.52880	0.3
66.68182	0.2
69.03336	0.2
70.30370	0.9
72.02097	0.2
74.28051	0.2
77.27825	0.2
81.86435	0.3
83.04884	0.4
97.06441	0.3
114.05520	0.3
123.04421	0.2
124.80879	0.2
125.06047	0.2
167.14322	0.4
169.12282	0.5
171.06737	0.4
177.12680	0.4
183.13837	29.0
184.14177	2.9
187.06155	0.5
187.18918	0.3
195.13843	25.3
196.14169	2.5
211.13330	0.8
213.14909	100.0
214.15257	10.1
214.17424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35070	0.9
59.01255	50.8
69.50188	5.1
74.67409	1.2
76.64581	1.0
83.43612	1.1
88.03933	1.6
99.08035	3.4
111.08009	2.1
119.04932	0.9
129.09122	18.4
143.07043	1.5
157.08609	11.2
174.05388	1.0
175.09685	100.0
176.09987	6.5
189.05479	1.5
208.19160	1.0
216.74181	0.9
217.05042	2.9
217.06999	2.1
217.10727	5.4
218.04552	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	221.0451
Annotation	Fraxidin
Peak:m/z	Relative Intensity
59.01253	6.7
69.54826	2.9
71.01229	0.9
73.95872	0.5
76.62978	0.5
84.29274	0.5
101.02334	0.6
104.19426	0.5
119.01266	0.7
135.00787	3.0
149.99512	0.9
163.00285	87.2
164.00629	5.1
164.79160	0.5
168.93231	0.6
178.02608	0.8
179.20125	0.5
181.66924	0.7
190.98001	1.4
190.99797	68.1
192.00136	6.2
206.02150	100.0
207.02502	9.7
221.01048	1.1
221.04518	14.1
221.08139	0.9
221.11736	1.6
221.15201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0279
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
59.01258	1.2
59.67485	0.2
59.96599	0.8
61.98697	1.2
62.44765	0.2
69.82880	0.7
71.01271	0.8
73.02813	1.1
74.98949	16.3
75.96092	1.1
75.98899	0.5
76.96871	0.2
77.79249	0.2
83.01250	0.2
83.17905	0.2
85.02816	0.3
85.57561	0.2
89.02333	0.4
91.03883	0.5
93.00014	9.6
95.01260	0.2
98.20639	0.2
101.02352	0.8
109.02853	0.3
123.00800	0.3
125.51923	0.2
131.03369	0.3
137.02333	0.4
147.04393	0.2
149.00870	13.2
150.00867	0.8
150.98756	0.6
150.99998	0.2
151.03934	0.2
159.97350	0.2
165.01875	1.1
174.34601	0.2
193.01375	2.9
194.01721	0.3
195.13750	0.2
206.99654	5.2
207.02637	0.2
207.99675	0.6
208.03720	3.6
208.97525	0.2
209.04099	0.4
223.02802	100.0
223.13354	0.8
224.02840	13.9
225.00815	0.3
241.03896	2.1
242.03934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1335
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
54.63928	0.8
55.33183	0.8
57.03326	2.0
59.01252	8.6
61.98703	3.9
63.50726	0.7
66.76034	0.7
67.56516	0.7
69.03331	9.9
70.92346	1.3
71.00882	0.8
71.01247	3.7
71.04909	1.9
73.02808	4.0
74.03465	0.7
83.04893	1.9
85.02824	1.5
85.06445	2.2
89.02326	1.2
91.03892	1.8
93.03352	1.2
95.01248	0.9
95.04893	1.9
96.95908	0.9
97.06502	0.8
101.02317	2.0
107.04924	0.8
109.02843	0.9
109.06461	1.4
111.08035	0.8
123.00794	1.7
125.09618	1.7
135.11711	1.1
137.02322	1.4
149.02338	1.1
149.09653	2.1
151.03922	1.2
151.07356	0.8
161.13327	1.5
164.04735	1.0
165.01842	3.3
166.06230	1.4
167.10684	11.1
168.10925	1.0
177.12759	2.2
179.10774	4.6
179.14340	10.8
180.14642	1.7
193.01378	9.7
194.01730	1.0
195.13847	33.7
196.12524	0.9
196.14171	3.2
205.12279	25.2
206.12711	2.1
208.03719	12.9
209.04204	1.1
223.02856	3.7
223.06189	5.0
223.13351	100.0
224.02942	1.0
224.13698	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	223.1699
Annotation	beta-Isocyclolavandulyl isobutyrate
Peak:m/z	Relative Intensity
52.04242	0.6
59.01253	12.8
60.01586	0.6
61.98695	1.5
65.17900	0.6
70.10522	1.8
71.01254	2.4
73.02818	4.8
78.96520	0.7
81.03320	0.7
83.04879	2.4
85.02834	1.2
89.02330	1.4
91.03870	2.6
95.01272	1.0
101.02325	2.7
101.88928	0.7
109.02841	1.3
120.77079	0.6
123.00799	0.9
127.28876	0.6
128.05048	0.7
131.03409	1.2
137.02339	1.2
149.02368	0.8
151.00261	0.8
151.03943	0.9
165.01834	2.5
166.06264	0.6
167.14293	1.3
176.83530	0.7
176.98218	0.9
178.99747	0.6
193.01367	8.9
205.15898	5.0
208.03755	8.9
223.02740	1.8
223.06088	4.3
223.08205	1.7
223.16986	100.0
223.20590	2.7
224.17331	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	225.0765
Annotation	Ficusol
Peak:m/z	Relative Intensity
54.86409	1.7
59.01261	3.3
65.01333	2.0
69.03329	1.7
81.03346	4.2
83.04896	16.5
93.03362	1.9
95.01263	5.5
97.02811	2.6
123.00757	36.9
123.04395	2.4
125.02373	4.4
137.02333	3.6
139.00299	3.0
148.31679	2.0
151.00281	12.4
151.03926	2.7
152.01077	4.2
153.01848	3.6
153.05486	1.7
164.67004	2.2
165.01903	3.9
166.02553	2.6
167.03442	2.7
177.01817	2.2
189.53320	1.6
192.04259	4.3
195.02931	90.9
196.03239	7.2
207.14987	2.4
210.05278	100.0
211.05638	9.2
225.07661	45.3
225.11316	5.1
225.16084	14.0
226.07906	5.6
226.16278	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	227.1285
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
55.86289	0.2
57.03315	0.3
59.01244	0.4
65.01325	0.4
69.56217	0.2
70.56938	0.2
71.01256	0.2
71.04888	0.5
75.11803	0.2
80.02545	1.6
81.03335	1.8
83.01249	0.5
83.04891	6.9
84.02036	3.4
84.05221	0.3
85.79125	0.2
93.03313	0.2
95.04910	0.8
97.06481	0.4
98.19766	0.5
109.06483	0.3
111.07986	0.3
121.06463	0.2
125.05972	0.8
125.09583	0.6
135.08035	0.8
139.11215	0.2
147.11673	0.5
153.12723	0.3
157.05098	0.2
163.11192	5.6
164.11523	0.4
165.12755	3.9
166.13016	0.3
177.86671	0.2
181.06621	0.2
181.12274	0.7
183.13828	0.6
191.10739	1.5
199.13362	0.3
201.07855	0.2
209.11769	100.0
210.12105	9.5
227.07060	0.6
227.09200	0.3
227.12814	3.1
227.16354	0.3
227.20135	0.7
228.13133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1286
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.68634	0.3
57.03326	0.7
58.46611	0.3
59.01252	0.3
70.83543	0.4
71.04900	0.3
73.17623	0.3
74.05006	0.3
83.04903	0.4
111.08033	1.1
138.58446	0.3
144.19757	0.3
145.61861	0.3
165.12769	18.5
166.13150	1.5
183.13843	100.0
184.14189	8.6
186.96074	0.3
209.11800	2.5
227.03470	0.4
227.12856	16.4
227.20125	1.1
228.13148	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	233.03
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	6.3
59.01255	78.1
67.01748	2.5
68.67513	2.5
70.39441	5.2
70.39839	5.4
71.01263	28.6
73.02822	5.2
83.01265	6.8
85.02818	5.1
87.00739	3.5
87.88473	2.8
93.03342	10.6
99.00760	7.9
104.03408	8.0
111.00755	7.8
111.04392	3.4
113.02348	3.7
117.05472	4.6
129.01822	8.1
173.04431	7.7
201.12363	3.3
233.04568	3.9
233.15437	100.0
234.09842	6.2
234.15771	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	233.03
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.4
59.01254	43.1
67.01749	3.0
69.65627	7.6
71.01257	10.2
72.99159	1.4
73.02782	1.3
83.01246	1.7
86.83492	1.4
87.00744	1.6
93.03348	10.9
111.00768	3.0
129.01779	2.6
143.03404	2.0
173.04469	9.1
233.04556	1.7
233.06607	4.2
233.15430	100.0
234.15726	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	233.0849
Annotation	CHEBI:83082
Peak:m/z	Relative Intensity
59.01237	0.3
66.32208	0.3
67.50239	0.3
69.49083	1.9
79.95629	1.2
80.51913	0.3
91.99965	0.3
96.95891	33.0
165.18402	0.3
233.08490	100.0
234.06613	0.5
234.08827	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	233.085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	10.0
67.01775	0.5
71.01243	0.3
71.55145	0.3
79.95193	0.4
79.95623	1.2
82.03982	0.3
85.02836	0.3
87.00751	0.4
93.03330	2.6
95.95084	0.6
96.95888	49.8
111.04407	0.3
173.04480	3.0
225.52470	0.2
233.08487	100.0
233.15372	14.3
234.08823	8.4
234.15797	1.6
241.19348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78659	0.2
56.21904	0.2
59.01254	5.4
59.96599	0.5
60.97382	0.4
71.57920	0.2
73.02843	0.2
74.98519	0.5
74.98944	7.0
74.99342	0.4
75.96113	0.4
75.98901	0.2
85.58240	0.2
91.02084	1.1
93.00015	3.8
93.03358	0.7
95.36908	0.2
98.19827	0.7
111.04388	0.2
112.00457	0.2
118.96114	1.1
134.99303	7.6
135.99303	0.4
136.97212	2.9
141.07330	0.4
143.05260	0.6
149.00868	73.6
150.00821	4.5
150.98793	1.0
152.96719	0.4
159.08372	2.3
161.06313	4.1
167.01874	0.3
173.04503	0.9
201.04092	0.2
215.05563	1.6
215.09160	0.3
217.07169	100.0
218.07295	11.4
233.10307	97.2
234.10464	12.1
234.15793	0.9
235.08270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2064
Annotation	Ambrox
Peak:m/z	Relative Intensity
57.03326	8.2
57.93885	0.4
59.01257	3.1
61.98699	2.6
64.80876	0.4
65.03845	0.4
67.01767	0.6
71.01247	1.3
73.02811	0.7
73.58499	0.3
83.04890	1.6
85.02825	0.8
93.03340	5.1
94.04123	0.4
101.02340	0.4
107.04894	0.4
109.06466	1.5
137.02394	0.4
147.04413	0.5
148.05211	0.7
177.37740	0.3
191.06976	0.7
192.06563	0.7
217.19589	1.3
233.19218	0.5
235.06012	0.9
235.16864	4.2
235.20636	100.0
236.10495	0.6
236.20984	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	236.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99514	0.2
58.70729	0.3
59.01245	0.8
61.98703	0.4
63.21929	0.2
71.01284	0.3
73.02833	0.3
90.82382	0.2
101.02327	0.8
111.04356	0.2
134.03641	0.7
135.04451	0.7
136.05220	0.8
148.05211	9.3
149.05695	0.6
149.09639	1.3
159.08102	0.3
162.06757	0.7
163.00272	0.3
175.07582	0.4
176.08356	0.7
177.09140	47.3
178.09456	3.5
180.07851	0.3
190.09929	1.7
191.10680	0.9
192.11494	35.0
193.11893	3.3
201.09108	0.7
203.07120	0.9
217.08690	3.4
218.09433	9.1
219.09825	0.8
236.10507	100.0
237.10904	10.3
237.14578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94982	3.2
55.01744	13.3
57.03313	9.1
58.00465	5.0
59.01250	73.6
67.99702	3.1
69.03327	3.0
70.27341	10.9
71.01256	100.0
71.94766	3.2
72.99175	8.5
73.02823	34.6
75.00738	5.8
83.01252	28.3
84.77257	2.8
85.02824	76.3
86.03159	4.4
87.00737	9.4
89.02312	14.7
95.01270	9.7
97.02879	3.2
99.00754	15.5
101.02322	94.4
111.00772	5.1
113.02335	37.7
123.04426	3.6
125.02380	5.1
131.90332	3.2
159.02899	10.4
161.04456	30.8
194.78966	3.0
237.07747	5.0
237.09470	17.1
237.14934	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54982	0.3
59.01254	14.0
59.96580	0.4
61.98707	0.5
70.29377	0.6
70.29767	0.6
71.01228	0.3
74.98952	11.0
79.15182	0.3
84.92980	0.3
85.02829	0.6
87.00754	2.2
91.02089	10.0
93.00014	5.2
99.00771	0.4
117.01811	0.3
125.02328	0.3
149.00874	5.1
151.33154	0.3
153.28835	0.3
161.04463	1.8
163.17732	0.3
163.75500	0.3
169.09790	0.3
179.05534	8.0
206.99648	2.1
215.93610	0.3
217.88179	0.3
223.02803	100.0
224.02832	12.5
239.05865	0.5
239.16525	0.8
241.03821	1.6
245.46938	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	45.7
60.01590	0.9
64.37774	0.6
69.28300	1.6
69.28706	4.3
72.83773	0.6
86.71111	0.6
88.32587	0.6
127.11170	5.5
137.51692	0.6
139.11160	1.8
155.10661	2.9
157.10939	1.0
157.12254	19.1
158.12508	1.6
185.11758	19.3
186.12180	1.4
203.12831	100.0
204.13194	8.0
215.41519	0.7
227.06725	0.6
245.08209	1.5
245.13873	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	247.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41370	0.2
71.01238	0.3
71.30897	0.4
79.95570	1.6
84.02057	0.5
93.83766	0.2
96.95891	59.5
122.97444	0.3
126.47984	0.2
149.09637	0.7
167.10670	0.9
212.02715	0.2
247.06430	100.0
248.06763	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	247.0644
Annotation	EX-527
Peak:m/z	Relative Intensity
50.41637	0.3
71.30837	0.5
71.35559	0.2
73.93975	0.3
79.95573	1.5
84.02068	0.4
95.95123	0.4
96.95892	43.9
117.74789	0.3
122.97444	0.6
149.09584	0.5
156.34782	0.3
162.62041	0.3
167.10667	1.0
247.06435	100.0
248.06732	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	247.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44683	0.6
69.45091	1.7
71.01254	0.4
79.95605	33.3
80.96390	60.0
96.95886	0.5
139.07561	0.7
139.11162	0.6
143.84383	0.3
147.08020	1.1
175.07562	0.6
216.54488	0.3
219.03258	3.0
247.06425	100.0
248.06712	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	247.0645
Annotation	EX-527
Peak:m/z	Relative Intensity
62.23283	0.2
63.70945	0.2
66.33233	0.2
66.55979	0.3
69.39001	2.0
71.01253	0.8
79.95120	0.7
79.95248	0.6
79.95608	32.6
80.96391	57.0
81.96351	0.3
83.01229	0.3
85.43252	0.3
96.95872	0.3
139.07539	0.9
139.11162	0.4
139.85080	0.3
147.08012	1.8
168.29529	0.2
175.07562	0.9
191.07095	0.3
203.07112	0.4
219.03291	2.3
247.06430	100.0
248.06732	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	247.1702
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
67.18157	0.2
67.90517	0.2
70.83006	0.2
70.83312	0.2
71.01246	0.5
71.54122	0.2
90.05054	0.2
103.03867	0.2
179.06958	0.2
184.00111	0.3
205.15889	0.4
214.97304	0.2
219.64240	0.2
220.16792	0.2
231.13951	0.6
247.17018	100.0
248.07996	0.6
248.17354	12.3
259.22296	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0801
Annotation	3-(5'-Methylthio)pentylmalic acid
Peak:m/z	Relative Intensity
59.01244	0.4
61.11538	0.2
69.53219	0.8
69.53625	0.4
79.95627	0.8
80.77938	0.2
80.96391	0.4
81.95191	0.3
82.95969	0.6
88.74869	0.2
90.79562	0.2
93.18186	0.2
96.35255	0.2
96.95885	20.5
113.55333	0.2
139.11205	0.2
169.12321	1.0
169.33298	0.2
185.97157	0.2
249.07999	100.0
250.08315	7.0
250.14325	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79288	0.2
59.01250	0.4
62.60284	0.1
66.03352	0.7
69.28233	1.5
70.22217	0.2
71.01286	0.2
72.99835	0.2
78.95792	0.3
79.95561	1.1
83.30322	0.2
85.02833	0.3
89.06174	0.2
93.03347	0.3
96.95889	20.1
98.19184	0.2
101.02336	0.2
117.96373	0.2
123.04581	0.2
139.11108	0.2
160.03955	0.3
161.03448	1.5
169.12271	0.8
169.25356	0.2
207.80325	0.2
219.02956	0.2
220.06087	0.3
225.91321	0.2
249.07993	100.0
250.08336	6.7
250.10971	0.4
250.14343	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0801
Annotation	3-(5'-Methylthio)pentylmalic acid
Peak:m/z	Relative Intensity
59.01238	0.3
62.89791	0.2
69.45597	0.7
69.46020	0.6
79.95641	1.3
81.74520	0.2
95.95132	0.3
96.95895	35.4
102.07731	0.2
121.71642	0.2
123.45042	0.2
170.04663	0.3
240.83650	0.3
249.08006	100.0
250.08336	7.1
250.14421	0.6
263.29529	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59943	0.2
59.01263	0.3
61.98685	0.3
67.67123	0.2
69.36513	0.2
71.01252	0.3
71.53351	0.3
75.23081	0.2
78.95786	0.4
79.95564	1.6
82.30164	0.2
95.95144	0.3
96.95892	61.0
97.95784	0.3
107.01071	0.3
146.29309	0.2
163.05788	0.2
204.63956	0.3
249.08006	100.0
250.08339	7.1
250.14398	1.6
257.32294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13410	0.2
59.01243	0.6
61.87638	0.2
71.01256	0.6
71.07705	0.5
73.02831	0.5
75.59768	0.2
79.95570	1.2
85.02843	0.5
87.40331	0.2
87.85735	0.2
95.95139	0.4
96.95892	38.7
97.95876	0.2
98.95471	3.3
98.96304	0.5
100.95972	0.3
101.02332	0.8
110.14471	0.2
143.97179	0.2
151.11232	0.5
183.32860	0.2
186.01808	0.3
249.08014	100.0
250.08372	6.8
250.14328	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	249.0802
Annotation	3-(5'-Methylthio)pentylmalic acid
Peak:m/z	Relative Intensity
51.13410	0.2
59.01243	0.6
61.87638	0.2
71.01256	0.6
71.07705	0.5
73.02831	0.5
75.59768	0.2
79.95570	1.2
85.02843	0.5
87.40331	0.2
87.85735	0.2
95.95139	0.4
96.95892	38.7
97.95876	0.2
98.95471	3.3
98.96304	0.5
100.95972	0.3
101.02332	0.8
110.14471	0.2
143.97179	0.2
151.11232	0.5
183.32860	0.2
186.01808	0.3
249.08014	100.0
250.08372	6.8
250.14328	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	251.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81770	0.6
57.11770	0.6
70.26784	1.7
71.01251	1.6
82.38245	0.6
86.06857	0.6
89.02438	0.6
98.95471	2.5
101.02307	1.6
106.45726	0.6
113.02283	0.6
120.92339	0.7
130.79271	0.6
149.99489	21.3
150.99820	0.7
158.87570	0.6
168.10512	0.6
176.37814	0.6
177.98999	49.1
178.99364	2.3
180.85590	0.7
193.01355	52.2
194.01703	2.7
202.34775	0.6
205.98476	3.1
221.00870	100.0
222.01201	7.1
236.03235	84.1
237.03535	5.5
251.05513	17.0
251.07831	6.1
251.14764	1.0
252.05911	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	251.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	9.4
57.03328	9.6
58.00465	5.1
58.68185	2.6
59.01260	71.4
71.01261	100.0
71.16161	5.8
72.99181	6.6
73.02827	34.5
83.01261	18.1
85.02836	52.0
87.00772	5.4
87.73318	2.4
89.02322	20.3
92.38754	2.4
95.01277	7.5
97.02862	3.3
99.00758	13.1
101.02330	87.9
102.02656	2.6
113.02335	38.0
114.02621	2.8
118.72591	2.6
119.03419	5.5
143.03506	3.1
154.61398	2.8
159.02905	10.0
161.04483	31.5
174.35938	2.8
184.19928	2.9
193.77541	2.8
251.11307	20.3
251.16849	4.7
255.68690	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	251.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60917	0.6
57.03326	100.0
58.03653	1.9
59.01247	6.7
61.98674	0.7
69.03326	2.6
69.28484	5.8
71.01263	5.9
71.04896	0.9
73.02834	2.2
81.06984	2.5
83.01273	1.1
83.04936	0.7
85.02837	3.4
89.02358	1.6
96.95897	1.7
98.19833	1.3
99.00780	1.3
101.02336	5.5
113.02364	2.5
123.04414	0.9
125.09614	1.3
135.00827	0.8
149.99564	0.9
161.04453	1.9
177.99042	1.7
191.14445	0.9
192.60074	0.6
193.01419	2.9
207.17494	84.4
208.17790	7.0
221.00873	4.9
236.03186	4.3
251.05629	1.3
251.09373	1.4
251.16559	37.9
252.16893	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	257.1759
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
51.13672	1.0
51.21711	0.8
57.03318	1.1
59.01240	1.7
60.70023	0.8
61.98697	3.2
71.53874	1.1
73.02812	2.8
83.04895	1.1
88.85498	0.8
96.95890	1.0
99.00784	1.0
107.04902	1.2
108.38886	0.9
117.71548	0.8
123.82710	0.9
125.02336	3.1
195.17482	50.4
196.17839	4.3
213.09166	1.0
213.18553	1.3
227.06134	3.4
239.16496	43.7
240.16785	3.6
242.08759	2.5
249.90163	0.9
257.04498	1.9
257.08270	1.8
257.11774	2.6
257.17560	100.0
258.18063	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	257.2119
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
55.71990	1.1
57.21266	1.2
59.01249	1.6
61.98691	1.7
71.53828	2.3
77.74699	1.4
83.04903	1.5
124.24239	1.2
125.02338	4.0
125.50487	1.3
132.53038	1.3
183.17468	1.7
209.19084	3.4
211.20618	69.5
212.20967	4.6
217.82144	1.6
239.20200	2.1
257.11826	2.2
257.21234	100.0
257.23862	7.6
258.21585	9.4
264.92514	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	258.1621
Annotation	Primaquine
Peak:m/z	Relative Intensity
50.50786	0.3
59.01248	0.4
60.96210	0.2
61.98696	0.3
71.53961	0.4
96.95892	0.3
99.92478	0.4
107.04910	7.9
122.03658	0.5
131.08572	3.5
134.03510	0.4
135.04416	87.4
136.04692	2.6
145.02812	1.5
147.04379	1.7
157.06505	1.4
158.03865	0.3
159.04420	6.9
160.05208	5.8
171.08069	2.8
172.05186	0.4
173.06004	3.2
174.06779	34.4
175.07555	8.4
176.08076	0.6
187.03972	0.6
187.07620	0.5
188.08328	1.0
189.09140	5.4
226.08818	0.3
243.13843	0.4
244.14583	0.3
258.16238	100.0
259.16580	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	258.1624
Annotation	Primaquine
Peak:m/z	Relative Intensity
55.01749	0.2
68.24851	0.1
70.83277	0.3
79.05399	0.2
93.18102	0.1
107.04908	9.9
108.05217	0.2
116.06187	0.4
121.06488	0.2
122.03623	0.6
122.18055	0.1
131.08575	2.8
132.08942	0.2
133.06491	0.2
134.03650	0.4
135.04414	94.6
136.04692	3.6
145.02843	1.6
145.10115	0.3
147.04425	1.6
147.08052	0.6
148.05157	0.5
149.06003	0.6
157.06502	1.4
158.03711	0.3
159.04425	7.7
159.08003	0.2
160.05211	6.8
161.05727	0.3
161.09621	0.4
170.07254	0.2
171.08076	3.1
172.05231	0.6
172.08429	0.3
172.29483	0.1
173.04582	0.3
173.06006	4.0
174.06778	39.2
175.07541	8.7
176.08167	0.7
186.06639	0.2
187.03952	0.2
187.07562	0.6
188.08293	0.9
189.09138	6.0
190.09634	0.3
243.13881	0.4
258.16229	100.0
259.16565	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	259.1088
Annotation	Maculosin
Peak:m/z	Relative Intensity
51.33099	2.2
52.71749	2.1
59.01265	4.0
65.01322	17.5
69.00836	3.4
71.54173	4.1
79.02881	7.2
80.37418	2.4
91.02902	6.2
93.04468	11.8
98.69669	2.4
123.04418	2.4
137.02438	2.8
159.04445	3.5
163.03989	3.5
171.03181	3.2
186.05542	10.5
187.03975	5.0
201.06535	4.6
201.08093	4.7
202.05045	5.5
203.03455	2.5
212.05745	3.2
214.03804	2.8
217.08720	5.9
229.06244	20.4
232.09724	3.8
243.07907	6.3
244.08530	19.9
259.02548	6.9
259.06131	9.8
259.10913	100.0
260.06705	4.5
260.09012	21.1
260.11685	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	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00952	1.1
59.01252	20.3
69.33744	5.6
69.51043	0.8
79.66211	0.6
83.04884	0.7
98.19807	1.1
107.24876	0.7
125.09541	0.8
137.09633	8.8
155.10686	100.0
156.11037	5.1
166.10738	0.7
171.10182	22.3
172.10561	1.2
181.08615	2.6
199.09692	30.6
200.10034	2.4
217.10767	91.9
218.11139	5.2
241.90913	0.8
259.02448	1.7
259.05939	0.9
259.09338	1.2
259.11874	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	259.1703
Annotation	2-Polyprenyl-6-methoxyphenol
Peak:m/z	Relative Intensity
50.92571	0.8
50.92886	0.9
53.25473	0.9
59.01247	1.8
68.99681	1.3
69.53499	6.4
89.06612	1.1
93.03354	2.0
108.02064	7.2
109.02840	1.6
121.01955	1.6
121.02847	37.0
122.03642	52.6
123.04488	5.5
134.03629	6.6
135.04436	6.6
136.01616	1.9
137.02463	1.3
139.87195	1.2
147.04422	1.2
152.88379	0.9
168.38020	0.9
177.63536	1.0
190.09901	1.7
244.14679	1.1
245.15529	1.1
258.16113	1.5
259.02490	1.5
259.06119	3.1
259.17032	100.0
260.17438	12.0
273.15045	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0074
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
51.84759	1.0
52.28392	1.0
59.01242	0.8
63.70507	0.9
68.36223	1.0
69.39512	5.6
72.99184	19.5
75.00748	4.1
79.95609	9.7
80.96379	1.7
81.03325	1.2
93.03331	27.8
94.02408	0.9
96.95887	3.9
107.04906	3.2
119.04920	60.5
120.05236	2.1
134.03624	1.6
135.03412	2.0
135.04420	35.5
156.60339	1.0
162.13632	0.9
163.03922	48.5
164.04211	2.3
166.96780	0.9
181.04988	100.0
182.05348	4.2
199.00639	17.6
215.00163	10.0
261.00745	74.2
262.01141	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	261.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	6.0
59.01251	48.5
74.02345	2.8
77.31055	1.7
85.02843	2.5
88.22530	1.7
90.37374	1.8
91.85999	1.7
97.06500	3.7
98.22311	1.9
104.41628	1.9
109.06461	3.1
111.08039	4.7
116.44546	1.9
125.09617	10.4
127.07513	1.9
134.49953	1.7
141.09117	3.9
143.10678	15.8
143.24767	2.0
157.12187	2.8
187.09753	2.1
201.11211	14.2
210.70732	1.9
219.12328	100.0
220.12744	5.2
261.04202	1.9
261.13425	14.6
261.22113	5.2
268.16553	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	261.1859
Annotation	Hamabiwalactone B
Peak:m/z	Relative Intensity
59.01246	2.9
64.86576	1.8
79.05396	2.8
89.01755	1.9
91.05406	33.1
108.02038	7.6
113.53175	1.7
125.09612	4.2
125.27731	2.2
134.03610	21.8
135.04443	5.0
147.04375	2.8
148.05212	20.5
162.06709	1.9
163.03807	2.0
166.02614	12.4
177.16452	2.7
187.09648	2.6
191.17995	5.3
209.98990	1.9
217.19574	58.9
218.19952	4.6
219.57448	2.3
223.85995	2.0
243.20938	2.0
261.18597	100.0
261.21860	4.1
262.18951	5.9
270.70007	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	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90156	1.2
59.01252	100.0
60.01606	1.5
63.89754	1.2
68.77834	1.3
69.21777	7.3
69.22203	4.9
71.01255	1.8
73.02848	2.3
75.49448	1.4
84.71928	1.1
86.46980	1.3
91.15587	1.3
98.20492	2.8
103.27788	1.2
104.11219	1.4
251.87251	1.4
263.09308	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	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
67.26270	1.2
69.51659	1.2
71.01254	2.8
71.34805	2.1
78.50050	1.2
85.02834	2.1
87.00720	1.5
110.79243	1.4
134.94008	1.3
151.63139	1.3
193.11964	1.5
219.13834	2.0
232.78368	1.4
263.09308	2.9
263.12851	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	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
67.33243	1.5
69.27489	13.3
98.19866	3.4
122.03629	1.7
125.05946	1.5
139.07539	2.3
151.07561	3.3
152.08301	3.7
163.07533	1.6
172.13632	1.4
201.12788	2.0
204.11470	6.0
219.13855	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19625	1.3
56.63610	1.6
59.01252	100.0
69.72639	3.4
69.73051	7.8
71.01259	4.7
73.02822	3.6
79.24848	1.4
81.28707	1.6
85.02823	1.8
96.95967	1.4
99.00787	1.6
101.02313	3.9
109.56115	1.5
113.02295	2.2
119.88347	1.4
121.55491	1.7
123.57529	1.5
134.68512	1.7
160.40747	1.5
230.24812	1.9
233.04967	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	263.1288
Annotation	Merulanic acid
Peak:m/z	Relative Intensity
56.06149	2.9
57.03309	3.2
59.01245	10.9
69.35384	8.4
69.35806	14.5
71.01250	11.3
74.52188	3.5
83.04917	5.0
83.80898	2.9
87.20800	3.1
97.02840	12.7
97.06477	3.0
101.02303	5.5
108.05702	7.6
109.02856	10.9
111.04405	16.3
113.05984	12.2
119.04875	4.4
119.08596	4.6
122.02823	3.8
122.03623	16.7
123.08056	12.3
125.05986	18.4
135.08034	4.1
136.05202	26.1
137.06001	7.2
138.06778	24.1
139.07564	39.8
148.05214	11.2
149.05981	6.3
151.07564	89.8
152.04716	9.2
152.08354	48.7
153.09134	14.7
159.11725	4.5
161.09656	8.9
163.07559	14.8
167.07132	4.3
177.12752	3.7
185.09651	3.5
186.10420	4.3
189.09134	12.2
196.86600	2.9
201.12819	34.3
203.10764	29.0
204.11507	77.6
205.11784	4.4
219.13869	100.0
220.14159	6.5
263.09506	4.2
263.12927	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	263.1289
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
56.33678	1.7
57.03326	4.0
59.01247	22.5
61.98690	1.7
70.31015	3.9
70.31360	4.2
71.01250	10.4
71.04904	2.0
83.04881	5.0
85.02823	2.2
93.53664	1.8
95.04909	3.5
97.02847	12.0
97.06469	2.1
98.20673	1.7
105.06972	2.8
107.04929	2.3
108.05698	6.9
109.02850	9.2
109.06493	3.5
111.04411	15.4
111.08047	3.1
113.05953	12.5
119.08546	5.4
121.06501	3.0
122.03634	16.5
123.04360	3.0
123.08044	8.7
125.05965	16.2
135.08081	5.4
136.05214	19.7
137.05972	5.8
138.06779	21.2
139.07549	35.1
145.06384	2.0
147.08115	2.8
148.05190	10.7
149.06030	4.5
149.28191	2.1
151.07555	81.1
152.04703	10.2
152.08350	39.8
153.09116	11.6
159.11679	6.6
161.09613	8.4
163.07582	16.8
163.11162	1.9
167.07045	5.0
172.61714	1.9
185.09615	2.9
188.08418	4.6
189.09119	6.3
201.12798	33.6
202.13167	2.3
203.10707	31.3
204.11507	70.4
205.11800	6.6
219.13858	100.0
220.14247	8.3
262.01239	2.2
263.09818	2.2
263.12897	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	263.2016
Annotation	KDC 165
Peak:m/z	Relative Intensity
57.84685	0.5
59.01252	3.8
60.60901	0.6
65.64726	0.5
71.01251	1.9
79.72133	0.7
83.01231	0.5
83.04887	0.9
85.02834	1.1
85.74355	0.7
91.35999	0.6
98.20559	1.8
101.02328	0.9
107.34647	0.6
113.02305	0.7
192.08745	0.6
219.21048	0.8
230.33086	0.5
261.75305	0.6
263.20157	100.0
264.20502	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	263.2379
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
57.03325	5.0
59.01240	1.4
70.73814	0.7
70.74149	0.8
82.44701	0.5
83.04894	1.7
85.02830	0.8
92.09992	0.7
93.03326	3.3
95.04935	0.6
96.24229	0.5
108.42089	0.6
109.06490	0.8
123.67184	0.5
245.22752	1.1
261.22159	0.8
263.23788	100.0
264.24118	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	265.1446
Annotation	Aspterric acid
Peak:m/z	Relative Intensity
57.03296	1.8
59.01249	9.5
59.98367	2.0
62.05469	1.3
70.68618	3.2
71.01243	5.0
73.02796	2.4
73.66756	1.3
78.95773	2.1
83.04892	2.8
85.02814	3.2
89.02295	1.9
90.89775	1.4
96.95901	3.1
99.04399	36.8
101.02303	4.9
111.04408	3.2
112.80311	1.3
113.02319	2.7
123.84837	1.5
125.27714	1.2
135.04414	3.9
135.08043	1.5
140.53674	1.5
161.04477	1.5
163.03902	2.9
168.09644	1.1
178.06294	1.8
191.03427	2.2
203.14380	13.5
221.15421	100.0
222.15738	8.2
247.13361	2.4
265.07010	2.4
265.14441	48.2
265.17923	3.8
266.14807	3.4
274.38181	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	265.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	19.4
59.01250	4.7
67.63091	0.4
69.03334	0.8
71.01258	3.8
73.02832	0.4
78.95771	4.2
83.04900	0.9
85.02814	0.9
89.02326	0.6
89.23608	0.4
96.95889	4.3
101.02331	1.3
113.02325	0.8
123.08052	1.3
133.04956	0.4
134.04616	0.6
135.04381	0.5
139.07549	0.9
141.09116	2.1
161.04396	0.5
163.03949	1.0
177.05582	0.5
193.15833	0.5
195.13820	0.8
205.15953	1.0
207.13910	0.5
221.19081	9.0
222.19479	0.7
248.34201	0.4
265.18085	100.0
266.18466	8.3
284.11673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1809
Annotation	tetranor-12(S)-HETE
Peak:m/z	Relative Intensity
57.03323	17.6
59.01249	2.0
60.05028	0.3
69.03310	0.6
71.01253	6.5
71.01949	0.5
78.95782	0.8
83.04908	0.4
85.02823	0.4
96.20332	0.3
96.95900	1.2
123.08014	0.4
139.07608	0.5
140.14937	0.4
163.52718	0.3
165.12674	0.4
193.15927	1.5
195.13866	0.9
221.19069	6.7
222.19412	0.4
226.58881	0.4
263.64197	0.3
265.18079	100.0
266.18427	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	265.1809
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
57.03313	1.7
59.01254	100.0
61.98683	1.5
69.77460	5.8
69.77810	2.8
71.01242	5.7
73.02834	2.5
73.66340	1.6
78.95781	2.1
84.26054	1.5
85.02821	4.0
89.02322	2.0
96.95887	18.4
101.02312	4.2
135.04468	3.3
163.03946	2.4
177.05533	1.5
178.06360	1.8
187.49652	1.7
221.00957	1.6
265.10913	3.6
265.14801	12.3
265.18063	79.0
266.18439	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	265.2172
Annotation	Hydroprene
Peak:m/z	Relative Intensity
51.35128	0.3
59.01236	1.3
69.13934	0.3
71.01266	0.4
79.20853	0.4
95.79695	0.3
96.95889	19.0
98.20560	0.8
177.05542	0.4
193.84416	0.3
247.20567	0.8
265.14835	15.2
265.21713	100.0
266.14987	0.9
266.22076	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	267.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83726	2.4
51.71681	2.5
55.01755	7.4
57.03300	5.7
58.00460	3.5
59.01255	100.0
69.37148	11.4
69.37576	8.6
71.01253	78.1
72.99197	5.2
73.02823	17.8
75.00768	3.6
83.01264	8.9
85.02827	30.0
87.00766	7.6
89.02314	32.5
95.01274	7.6
99.00765	7.8
101.01698	5.0
101.02327	59.5
105.05445	10.0
113.02339	29.9
119.03387	14.7
127.83746	3.1
142.96236	3.2
161.04468	28.0
167.98618	2.8
188.70192	2.8
233.30365	2.6
245.62891	2.5
267.07059	18.9
267.11002	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	267.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67170	2.5
55.01759	3.5
57.03319	2.9
59.01251	100.0
71.01250	31.9
71.52528	3.5
73.02819	10.3
83.01269	5.2
85.02821	13.4
87.76278	2.4
88.65312	2.9
89.02314	14.4
101.02303	31.1
101.02816	2.6
105.05482	3.6
113.02362	12.5
119.03427	4.2
135.03070	2.7
159.83757	3.1
161.04436	17.8
191.94614	2.6
249.01529	2.9
267.10828	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	269.0456
Annotation	Apigenin
Peak:m/z	Relative Intensity
50.68935	0.1
57.03311	0.2
57.04881	0.1
59.01242	0.4
62.50573	0.2
63.02274	1.5
63.10719	0.2
65.00198	3.5
70.83427	0.3
71.01215	0.2
73.02802	0.2
79.01777	0.2
81.03339	0.2
83.01264	1.9
83.04903	0.2
87.04395	0.4
93.03367	0.3
95.01267	0.2
99.04333	0.2
105.03360	1.0
107.01275	6.0
108.99159	0.2
117.03352	23.2
118.03681	0.9
121.02856	1.7
135.04399	0.2
142.69389	0.2
148.01512	0.2
149.02348	8.9
150.02603	0.3
151.00284	10.3
152.00575	0.4
155.44360	0.1
157.06476	0.2
159.04454	2.0
169.01300	0.3
169.06511	0.5
171.04504	0.3
180.05763	0.4
181.06497	1.8
182.03673	0.2
183.04468	1.6
185.02370	0.2
187.40726	0.2
196.05231	0.5
197.05991	0.6
199.03957	0.2
201.05530	2.1
202.05803	0.2
213.05556	0.2
224.04688	0.5
225.05536	4.4
225.14929	1.2
226.02742	0.2
226.05962	0.2
227.03424	2.1
241.05003	0.5
251.03369	0.2
269.04553	100.0
269.17615	0.8
269.21207	2.2
269.24750	0.5
270.04880	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	269.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01004	1.3
55.01770	8.0
56.63585	1.3
57.03341	7.1
57.36960	1.4
58.00483	1.6
59.01254	45.1
60.01579	1.6
69.03340	1.8
71.01257	100.0
72.99162	8.0
73.02821	33.0
74.12504	1.6
75.00746	3.3
83.01260	18.6
85.02826	50.0
86.03168	1.9
87.00765	2.9
89.02318	3.9
92.19496	1.3
95.01266	6.3
97.02854	1.4
99.00764	13.7
101.02329	77.0
108.97282	1.4
113.02336	35.0
113.80840	1.3
125.02329	1.7
129.01768	1.9
132.92522	1.3
143.03383	3.0
159.02844	7.2
161.04469	22.0
269.04538	3.4
269.10406	8.1
269.21225	14.5
269.24231	2.3
277.99603	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	269.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	4.7
58.50669	0.5
59.01246	1.5
61.09285	0.5
61.98680	0.7
65.92603	0.5
69.20252	0.5
69.49651	3.0
71.01257	2.4
71.04892	3.2
72.02029	1.7
73.02780	0.6
85.02828	2.1
87.04390	100.0
88.04727	2.1
99.04395	4.4
123.08085	0.6
125.09595	0.8
137.09601	1.5
141.80695	0.6
161.09645	0.6
189.16370	0.6
207.17470	6.5
209.15320	1.2
223.17075	1.0
269.04620	3.0
269.17584	44.5
269.21130	4.5
270.17972	3.6
270.20636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0613
Annotation	2beta-5,7-Trihydroxyflavanone
Peak:m/z	Relative Intensity
50.09304	0.7
51.08006	0.6
54.48957	0.7
59.01223	0.8
63.02268	11.8
65.00195	21.3
71.33701	0.8
73.09380	0.7
83.01257	13.6
93.03329	14.5
107.01272	32.2
108.02105	2.0
108.99235	0.8
109.02840	2.7
119.04920	89.2
120.05244	3.2
121.02863	1.8
125.02335	5.2
133.02881	0.8
137.02402	0.7
145.02890	2.4
151.00275	80.4
152.00642	2.5
161.05978	2.0
165.01868	3.7
169.01381	3.7
177.01842	11.4
178.02426	0.8
185.05980	1.0
187.03941	2.7
189.41061	0.7
213.05649	0.8
227.07056	1.4
241.05051	1.3
256.07227	1.1
271.06125	100.0
271.22794	1.9
272.06448	8.7
272.09207	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0614
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.33853	0.4
54.35310	0.4
57.03327	0.4
61.98683	0.4
62.97797	0.4
63.02269	13.2
64.02585	0.4
65.00197	22.2
67.07391	0.4
68.99692	0.4
70.75407	0.4
71.54366	0.5
81.03325	0.8
83.01259	13.4
93.03340	15.0
94.03694	0.4
95.01308	0.5
107.01276	29.4
108.01479	0.5
108.02109	1.1
108.99200	0.6
109.02850	1.1
109.70590	0.4
117.03383	0.6
119.04922	92.0
120.05238	3.0
121.02822	0.9
121.06484	0.9
123.04335	0.4
125.02346	3.3
127.36480	0.4
137.02344	0.6
143.04915	1.1
145.02852	2.4
149.41463	0.4
151.00281	75.3
152.00609	2.6
157.06496	0.5
161.05997	1.5
165.01842	3.7
165.05513	1.9
169.01353	5.3
177.01866	9.9
178.02306	0.5
185.06013	1.4
187.03951	3.1
199.03952	0.4
213.05440	0.7
227.07117	1.7
229.04979	0.6
241.05054	1.7
253.05028	0.5
256.07397	1.4
271.06125	100.0
271.22632	1.0
272.06448	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	271.0976
Annotation	Dehydroperilloxin
Peak:m/z	Relative Intensity
54.97866	0.5
58.37480	0.4
59.01230	1.0
59.69625	0.4
69.75058	1.8
69.75459	1.0
76.74699	0.4
77.53664	0.4
79.97099	0.5
83.04935	0.5
96.95867	0.5
108.02045	3.3
109.02866	3.4
117.00851	0.5
119.04887	0.5
125.02349	5.1
135.04443	0.6
157.06483	1.0
167.04948	1.2
169.06461	1.4
171.04381	1.6
183.04536	0.6
185.06001	12.4
186.06383	0.9
195.04469	8.9
196.05177	2.6
197.06042	3.4
199.03867	1.6
211.03966	1.8
212.04745	5.7
213.05515	43.8
214.05840	2.9
223.03940	6.9
224.04739	5.9
239.03519	1.4
240.04266	2.2
241.05029	100.0
242.05363	6.7
256.07388	64.0
257.07751	5.2
271.09766	51.0
271.19177	1.3
271.22766	3.6
272.10104	4.2
279.39395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1704
Annotation	Przewalskin
Peak:m/z	Relative Intensity
54.96825	0.3
57.03324	0.6
59.01235	0.5
65.52579	0.3
69.24858	3.2
93.03357	0.5
107.04923	3.2
108.02047	1.2
109.02825	0.9
119.04906	0.4
122.03627	2.0
125.02300	2.1
135.04417	50.6
136.04700	1.9
137.05959	0.4
141.07025	0.8
147.04405	1.3
148.05179	1.4
149.05942	0.4
150.06821	1.0
157.06502	0.6
157.55254	0.3
158.03690	0.4
159.04407	0.8
159.08067	3.9
162.03133	0.6
162.06776	0.6
169.06503	9.8
170.06923	0.7
171.04454	0.8
172.05217	5.6
173.05998	3.1
173.09682	0.4
175.07541	0.6
183.08078	0.5
185.06010	21.8
186.06578	2.4
187.07573	66.2
188.08311	15.8
189.08669	1.4
198.06783	1.1
199.07544	1.0
201.09111	3.0
202.09929	20.9
203.10580	3.9
212.08353	1.5
213.09146	6.2
214.09349	0.5
227.10675	0.3
234.08932	10.7
235.09297	0.9
237.12914	0.5
238.13432	0.4
239.14529	0.4
241.05135	0.9
241.12283	4.0
255.13834	1.6
256.14667	100.0
257.15005	8.6
271.06009	0.6
271.09912	0.5
271.13068	0.6
271.17035	19.5
271.22778	9.2
272.17343	1.7
272.23154	0.9
275.16019	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1916
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
57.03318	1.1
59.01239	0.7
71.08521	0.8
71.08869	0.8
108.02045	3.0
109.02841	2.6
119.04887	0.7
125.02349	5.6
167.14340	0.6
180.66685	0.4
207.17503	0.6
209.19054	59.4
210.19421	4.0
213.05339	0.8
227.20163	1.5
241.04997	1.9
247.17059	0.5
253.18069	43.4
254.18376	3.7
256.07373	1.4
271.06158	1.2
271.19150	100.0
271.22583	5.3
272.19485	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	271.2279
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01750	0.7
69.83022	1.5
72.99195	0.5
83.04924	0.3
84.02037	0.3
94.86109	0.3
98.20464	0.4
103.99948	0.2
109.02847	0.7
125.02333	1.2
132.64108	0.3
156.34261	0.3
182.30331	0.3
197.19075	1.3
219.24448	0.3
221.19092	0.9
223.20609	3.9
225.22192	67.9
226.22542	4.8
253.21773	1.8
271.22781	100.0
272.23132	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	271.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51271	0.5
54.83175	0.4
59.01247	0.7
83.16731	0.4
93.03342	0.7
98.20616	0.8
103.23366	0.5
108.02068	3.4
109.02843	2.7
125.02346	4.7
135.04358	0.5
151.00229	0.6
161.70506	0.5
225.22165	5.5
226.22708	0.8
241.05009	1.7
253.21631	2.3
256.07346	1.3
269.21320	1.3
271.06146	0.9
271.22784	100.0
272.14182	1.0
272.23135	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2277
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
59.01219	0.3
71.53719	0.3
108.02046	1.1
109.02835	0.9
125.02349	2.1
127.78336	0.2
202.86232	0.3
225.22154	4.8
226.22485	0.3
227.07211	0.3
241.05078	0.8
253.21637	1.5
256.07199	0.5
269.21225	1.0
271.05963	0.6
271.22775	100.0
272.14166	0.3
272.23093	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	273.1495
Annotation	Nimbidiol
Peak:m/z	Relative Intensity
52.41119	1.5
56.65189	1.6
59.01236	2.1
62.41913	1.3
62.51590	1.4
71.53861	1.6
76.78481	1.5
95.77796	1.5
102.25555	1.4
108.02083	6.9
109.02844	1.6
110.94745	1.6
120.72539	1.6
121.02850	23.2
122.03654	8.7
123.04456	3.3
134.03603	4.2
135.04402	20.5
136.01538	2.8
149.02336	15.4
150.03142	12.5
152.56396	1.5
159.04477	1.7
160.05124	1.7
161.05936	3.4
162.03178	3.0
163.07570	1.7
172.18283	1.5
174.06743	7.6
175.07576	4.1
182.02115	1.9
189.05365	1.8
203.19598	1.4
204.07970	7.7
229.94086	1.6
244.14554	4.1
245.15466	6.9
258.16232	29.3
259.16537	2.4
273.14957	100.0
274.15253	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	273.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50830	0.9
83.01233	1.0
107.04901	2.9
114.93835	0.9
117.00049	1.0
131.08534	2.1
135.04417	51.9
136.04739	1.1
159.04388	2.0
160.05162	1.8
174.06796	18.5
175.07533	3.6
189.09123	2.3
232.57828	1.0
258.16241	100.0
259.16550	7.8
273.03760	1.2
273.07669	1.3
273.14996	5.7
273.18613	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	273.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83317	0.1
58.42564	0.1
62.94526	0.1
64.00886	0.1
70.27109	0.3
79.05418	0.1
103.01176	0.1
107.04905	3.4
122.03654	0.3
129.06995	0.1
131.08583	1.1
134.03635	0.1
135.04425	60.7
136.04706	1.7
145.02859	0.4
145.10101	0.3
147.04425	0.7
147.07994	0.1
148.05212	0.2
149.06047	0.3
157.06540	0.2
159.04428	2.1
160.05220	2.4
161.09650	0.2
171.08105	1.4
172.05286	0.3
173.05992	1.1
174.06784	19.4
175.07561	4.8
176.08153	0.5
187.07571	0.3
188.08400	0.3
189.09146	4.4
190.09543	0.2
203.10538	0.1
215.10822	0.1
243.13947	0.3
258.16238	100.0
259.16574	8.0
259.19461	0.2
273.18604	9.7
274.18930	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64315	0.2
57.36005	0.3
71.24976	0.5
72.22855	0.3
97.34780	0.3
97.72066	0.4
98.97354	0.3
107.04898	3.2
131.08533	1.4
134.24844	0.3
135.04414	55.8
136.04836	2.0
145.02850	0.6
145.21013	0.3
147.04442	0.4
157.06506	0.6
159.04445	2.3
159.07990	0.3
160.05220	3.0
171.08098	1.5
172.05186	0.4
173.06006	1.2
174.06783	19.7
175.07553	4.8
176.08209	0.4
187.07616	0.5
188.08374	0.4
189.09154	3.4
203.54271	0.3
204.48483	0.3
209.52080	0.3
258.16232	100.0
259.16586	7.8
259.18732	0.2
259.19406	0.3
273.03976	0.5
273.07343	0.3
273.18610	11.3
274.15646	1.1
274.18878	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.186
Annotation	Unknow
Peak:m/z	Relative Intensity
76.95454	0.3
84.40928	0.4
107.04909	3.7
123.67023	0.3
126.51732	0.3
131.08571	1.6
134.03616	0.5
135.04427	54.2
136.04688	1.9
145.02870	0.7
147.04433	1.1
147.08028	0.4
157.06448	0.5
159.04442	2.9
160.05219	2.6
171.08083	1.1
173.05998	0.9
174.06793	20.4
175.07567	4.5
176.08307	0.4
189.05560	0.5
189.09181	4.0
223.96782	0.4
258.16245	100.0
259.13712	0.7
259.16586	8.0
273.03745	0.5
273.15448	0.6
273.18588	11.4
274.19000	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1661
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
58.74320	0.3
59.00986	0.5
59.01308	3.0
60.97436	0.6
75.15133	0.2
89.12623	0.3
98.20656	0.5
103.02106	0.5
104.94682	0.4
121.03171	4.5
126.15239	0.3
126.58350	0.2
138.20409	0.3
146.99353	0.7
147.08385	5.0
147.09471	0.5
149.00932	1.0
162.98839	0.3
165.00360	11.7
166.00427	0.3
177.48267	0.3
180.99857	1.4
183.01393	0.6
189.03920	1.3
191.05580	10.6
192.05678	1.1
205.07118	1.4
205.15938	0.6
207.05118	0.7
217.07115	1.0
229.62494	0.3
231.08824	1.3
233.10306	100.0
234.10455	9.0
251.11423	0.6
259.15530	0.9
270.23566	0.3
275.14679	0.3
277.16556	81.3
277.21130	12.1
278.16779	10.5
278.21960	1.1
299.70419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.40123	0.3
52.76698	0.2
53.15949	0.2
59.01249	3.1
61.06341	0.2
63.44498	0.2
71.01251	0.7
83.04919	0.3
98.20674	0.4
127.07526	0.5
146.87540	0.2
205.15868	0.3
216.76016	0.2
233.22771	0.6
259.20679	0.5
275.20154	0.3
277.21719	100.0
278.18951	0.3
278.22058	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
54.12752	0.5
54.19323	0.4
59.01230	0.9
60.31337	0.4
67.53872	0.4
69.81448	1.9
98.20554	0.5
128.96873	0.4
131.37770	0.4
277.21722	100.0
278.22070	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	279.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06067	0.8
59.01258	1.5
69.66281	4.9
71.01254	21.8
85.02818	1.3
115.00259	6.8
119.04920	61.0
120.05251	2.4
133.01329	2.6
137.02306	0.8
150.49126	1.1
163.03926	100.0
164.04269	3.7
175.02237	0.9
175.03705	1.2
219.02979	0.9
279.23254	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77964	4.7
52.80657	5.7
55.06740	4.5
59.01268	12.6
68.77015	4.8
71.01251	43.7
72.13001	5.3
73.02827	9.0
85.02833	13.9
96.95919	7.6
99.00756	6.2
101.02312	15.0
113.02335	10.1
115.00261	45.6
119.04902	43.7
133.01328	100.0
134.03625	5.7
163.03920	56.7
279.00500	5.1
279.23236	23.2
280.23383	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
53.44519	0.4
77.40796	0.5
95.52850	0.5
104.54192	0.5
127.70908	0.5
279.23288	100.0
280.23630	7.3
299.98999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2123
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
54.03662	0.3
55.01764	0.3
58.62859	0.2
59.01249	2.3
65.03829	0.4
65.89198	0.2
67.01747	0.4
69.03352	0.2
70.28194	1.0
71.01247	0.9
89.02281	0.3
90.65377	0.2
101.02320	0.4
113.02348	0.3
125.02345	1.0
126.03089	0.8
137.02350	0.3
139.03918	0.3
158.02129	3.1
159.91754	0.3
161.04443	0.3
209.19092	0.6
219.21193	1.4
237.14917	0.3
237.22261	0.5
253.21777	0.7
263.20132	0.6
281.21219	100.0
282.21558	8.8
282.24863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2484
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
57.03304	1.4
59.01244	3.0
69.03338	1.7
69.31838	1.0
69.40327	5.0
69.40733	1.5
71.01256	32.3
72.02037	87.5
73.02386	1.2
73.02809	2.8
77.23043	1.0
81.15920	1.1
87.04410	1.6
98.03603	3.5
98.19812	2.2
166.04234	0.9
237.22194	5.9
239.23801	1.6
241.12617	1.0
263.23810	40.2
264.24158	4.0
281.24884	100.0
282.25217	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	283.0614
Annotation	Acacetin
Peak:m/z	Relative Intensity
54.92818	0.3
59.01256	1.2
61.63937	0.3
63.02273	1.4
65.00198	0.7
66.17387	0.3
68.84079	0.3
69.34385	2.2
69.66418	0.3
69.88453	0.3
71.01270	0.5
71.03671	0.3
83.01286	0.8
87.43361	0.3
93.46730	0.3
97.02827	0.6
98.19792	0.5
101.02234	0.3
102.25227	0.4
107.01276	2.3
117.03335	4.9
117.04064	0.4
148.01575	1.3
149.99469	0.7
151.00305	3.1
152.43314	0.3
161.04503	0.6
165.01852	0.8
169.01318	0.3
171.04437	1.2
172.05202	0.7
184.05240	0.6
195.04462	0.7
196.05264	0.8
199.03966	0.4
200.02887	0.3
200.04770	1.0
200.18195	0.4
211.03932	1.5
212.04668	1.2
239.03465	3.9
240.04236	4.3
267.02960	2.5
268.03772	100.0
269.04126	7.4
283.06131	92.9
283.26419	20.6
284.06461	7.7
284.26764	0.6
284.99368	0.3
299.60907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1705
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01252	2.4
61.08064	0.3
65.27309	0.4
67.40625	0.3
71.01261	1.1
89.02310	0.7
96.27796	0.3
106.04124	0.5
107.04910	100.0
108.05248	3.8
123.04451	0.4
144.76353	0.3
161.04344	0.3
163.11197	100.0
164.11545	5.4
164.51674	0.4
178.57788	0.3
215.07095	1.1
218.10628	0.4
268.03906	0.5
283.17041	84.6
283.22937	4.1
283.26379	46.5
284.14182	2.1
284.17398	7.9
284.23346	0.5
284.26636	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	285.0406
Annotation	Fisetin
Peak:m/z	Relative Intensity
56.10209	0.2
59.01254	0.2
63.02264	1.3
65.00195	0.9
67.01749	0.2
69.22737	2.1
71.01262	0.2
75.88213	0.2
79.01807	0.3
83.01267	1.2
91.01777	0.5
93.03336	3.0
95.01268	0.3
102.23389	0.2
103.17784	0.2
107.01263	2.2
108.02043	0.6
109.02826	1.0
114.95467	0.2
117.03316	1.1
119.01252	0.3
121.02810	0.5
123.00757	0.4
123.04399	0.9
130.04138	0.4
131.04933	0.6
132.02066	0.3
133.02849	0.5
135.00760	0.8
136.01602	0.3
137.02354	0.8
141.07123	0.2
143.04941	1.6
145.02809	1.2
145.06480	0.3
151.00273	2.0
154.04134	0.8
155.04918	0.9
156.05786	0.2
157.02832	0.3
157.06531	1.0
158.03662	0.5
159.04384	1.4
161.02370	0.8
163.00305	1.3
164.01065	0.6
167.04976	0.7
168.05717	0.2
169.01340	0.5
169.06511	1.2
171.04445	1.6
173.02350	0.6
183.04446	0.6
184.05295	0.3
185.06000	2.2
187.03940	2.1
187.05466	0.3
189.05431	0.2
195.04480	0.4
197.06136	0.3
198.03162	0.5
199.03949	0.7
201.05461	0.7
210.03081	0.3
211.04004	1.5
213.05479	1.1
214.02631	0.7
215.03481	0.6
227.03514	1.2
229.05038	2.5
239.03537	1.6
240.04195	0.6
241.04836	0.4
243.02902	0.7
244.91502	0.2
255.02985	0.8
256.03702	0.3
257.04514	1.0
268.03879	0.2
270.08975	0.2
284.26822	1.6
285.04037	100.0
285.20749	0.8
285.27057	0.8
286.04395	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	285.0771
Annotation	Kukulkanin B
Peak:m/z	Relative Intensity
59.01239	1.5
60.28577	0.4
62.05462	0.5
64.61707	0.5
65.00204	12.9
68.99683	0.7
69.33357	3.6
83.04883	0.5
89.00213	3.9
90.56483	0.4
91.01779	2.7
91.66058	0.5
93.03344	20.7
94.03710	0.6
97.02829	10.1
104.31726	0.5
107.01247	0.9
109.99992	0.9
117.03397	0.6
119.04922	100.0
120.05244	3.7
121.02859	4.8
123.04364	0.7
136.01544	0.8
145.02872	1.3
149.99498	4.2
151.00252	0.8
155.14275	0.6
163.68338	0.5
164.01105	1.1
165.01851	60.2
166.02234	2.8
178.12268	0.5
179.03445	1.3
180.80701	0.5
183.02977	1.1
185.05988	0.7
187.03990	1.2
191.03439	1.2
196.00140	1.0
229.05013	1.9
240.04166	1.1
241.05006	0.8
242.05832	0.8
255.06668	2.0
257.04669	0.9
269.04544	1.1
270.05322	1.1
270.08969	2.4
284.26746	5.9
285.04138	11.1
285.07733	46.4
285.17618	1.0
285.20746	3.8
285.23618	0.5
285.27097	3.1
286.04578	1.2
286.08075	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75172	0.2
53.10809	0.2
53.63540	0.2
54.76599	0.2
61.29579	0.2
63.58274	0.2
93.03357	0.3
98.19814	0.4
107.01317	0.2
117.03408	0.3
139.03926	0.3
143.04924	0.5
145.02849	0.3
155.04999	0.4
159.04433	0.9
160.05208	0.4
163.00378	0.3
167.04988	0.3
171.04405	0.8
172.05240	0.2
183.04448	3.2
184.05235	4.7
185.05835	0.5
187.03943	5.9
189.05496	0.9
194.03584	0.3
195.04462	6.2
196.04915	0.6
198.03101	0.3
199.03914	0.5
200.04639	0.3
201.05542	0.3
209.76231	0.2
211.03963	4.0
212.04726	9.4
213.05260	0.7
215.03400	0.3
223.04036	2.2
227.03526	0.5
227.07094	6.2
228.07521	0.3
229.05067	1.6
229.24362	0.2
239.03432	0.6
240.04254	40.2
241.04648	3.1
255.06613	100.0
256.06952	7.5
257.04514	0.6
270.08975	76.0
271.06998	0.2
271.09314	7.2
285.04193	6.6
285.11319	29.4
285.27271	0.3
286.04453	0.7
286.11688	2.8
286.23874	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	285.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77368	0.6
59.01264	1.0
69.54386	0.6
70.92065	0.8
70.92407	1.4
77.90955	0.7
82.02920	0.7
85.68837	0.7
86.31870	0.7
90.72999	0.7
99.00857	0.7
110.02312	0.6
123.04385	0.7
142.84109	0.8
159.43690	0.6
160.05225	0.7
171.04541	1.4
183.04414	3.6
184.05255	4.8
187.03951	6.2
189.05534	0.9
195.04451	5.5
196.05263	0.7
198.23735	0.7
211.03952	4.4
212.04729	10.2
223.03972	2.6
227.07149	6.2
240.04250	40.5
241.04692	3.3
255.06606	100.0
256.06955	7.7
270.08972	79.7
270.12216	0.7
271.09262	6.6
285.04236	5.8
285.11307	30.3
285.20453	4.5
285.27066	1.6
286.11575	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	285.1497
Annotation	2-Hydroxyestrone
Peak:m/z	Relative Intensity
57.03303	0.4
59.01244	0.9
65.84367	0.4
66.38771	0.5
71.09605	0.6
93.03331	0.5
123.04408	0.7
135.04430	0.4
148.01553	0.5
157.06493	1.7
161.02339	0.6
162.03091	0.7
171.08073	11.0
172.08411	0.7
173.06027	0.9
174.06802	3.2
175.03966	1.5
185.05957	2.6
187.07574	0.9
188.08315	2.2
189.09126	0.6
200.04950	0.4
201.05534	2.7
202.06137	1.2
202.54549	0.5
212.04826	0.5
213.05496	2.1
215.07095	16.5
216.07855	6.6
230.91966	0.4
240.04276	1.0
255.06664	1.5
257.15460	8.4
258.15744	0.5
270.09030	1.1
284.26819	0.9
285.04218	5.0
285.14966	100.0
285.26944	2.3
286.15302	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	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03314	1.1
57.43511	0.5
59.01247	1.2
98.20581	1.1
103.05477	0.5
123.04407	0.8
142.45746	0.5
159.14726	0.6
214.06201	0.7
223.20628	65.8
224.20998	5.0
240.04274	1.3
241.21657	1.4
255.06650	2.6
267.19656	34.9
268.19897	3.0
270.08923	2.9
285.04126	6.1
285.20721	100.0
286.04404	1.2
286.21060	7.3
307.24115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2072
Annotation	Hexadecanedioate
Peak:m/z	Relative Intensity
57.03324	2.3
58.00470	4.7
59.01239	1.9
63.96101	0.6
69.03288	0.6
71.04887	0.8
71.53704	0.7
76.55371	0.7
78.95784	0.8
80.40149	0.5
83.04876	0.8
90.27065	0.5
97.72206	0.5
99.04396	29.0
100.04710	0.9
123.04385	0.6
153.12764	2.4
155.14328	29.3
156.14635	0.8
162.64407	0.6
167.14211	1.2
169.15916	2.2
183.13846	3.3
183.17519	3.5
185.15396	44.8
186.15707	2.2
205.19569	5.4
212.04813	0.9
223.20636	6.5
233.61440	0.6
240.04202	2.8
241.04469	0.7
255.06601	7.5
256.07001	1.2
267.19601	1.4
270.08945	6.5
271.09277	0.8
285.04068	7.8
285.11682	4.2
285.20718	100.0
285.27008	2.9
286.21036	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	286.2389
Annotation	Prosopinine
Peak:m/z	Relative Intensity
57.86733	0.3
59.01233	0.8
61.13303	0.3
69.25559	0.3
70.02852	0.6
71.24360	0.4
71.24690	0.4
74.05971	1.5
90.05543	0.4
108.93155	0.3
118.04980	1.1
119.02808	0.3
125.02338	1.4
135.04451	0.3
161.02455	0.5
229.78134	0.3
240.23227	3.1
242.21242	1.8
268.22812	0.9
271.75903	0.4
286.23877	100.0
287.05399	0.4
287.21347	0.5
287.24289	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0562
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
56.27544	0.5
57.03323	17.3
59.01237	0.8
61.47126	0.5
63.02277	4.5
65.00196	8.1
71.54677	0.8
81.03333	3.5
83.01258	10.6
85.02811	0.8
93.03345	2.3
95.01257	1.1
107.01283	6.5
107.04932	1.7
109.02833	2.0
109.71307	0.6
111.00756	1.6
112.10551	0.5
117.36576	0.6
119.04886	0.6
121.02859	1.2
123.04404	1.8
124.01545	3.7
124.07652	0.7
125.02337	100.0
126.02654	3.0
131.04892	2.3
133.02838	3.0
134.03596	1.0
135.04390	1.9
137.02341	1.9
137.48807	0.6
145.06479	0.7
150.03120	0.6
151.00282	13.9
152.01056	7.7
153.01834	3.6
156.05687	0.8
157.06482	1.7
158.03641	1.1
159.04410	1.6
165.01807	1.4
169.01337	1.2
171.04385	0.9
172.05302	1.7
173.05994	5.1
175.03958	1.3
177.05498	14.2
178.05768	0.8
178.99782	7.1
197.06044	1.1
199.07605	2.9
200.04646	1.0
201.05486	11.3
203.03419	0.9
210.35663	0.5
213.05423	1.7
215.07092	5.5
219.06577	2.6
225.05562	0.8
241.04980	1.6
243.06587	14.5
244.06876	1.1
259.06097	82.6
260.06500	6.7
269.04633	3.5
287.05612	53.1
288.05963	5.0
299.76117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86344	1.8
57.03323	14.9
59.01246	3.0
64.73966	2.0
67.01743	2.5
69.03307	3.0
69.82411	3.9
69.82791	5.9
81.03318	2.7
83.01254	15.6
93.03332	9.1
95.01270	3.2
97.02830	4.8
105.63667	2.9
107.04932	5.5
108.02058	4.5
109.02826	31.6
121.02850	21.4
122.03632	2.7
123.00775	2.3
123.04432	4.1
124.01586	10.8
125.02345	100.0
126.02690	3.7
133.02827	5.1
135.04396	10.0
137.02341	71.4
138.02739	2.3
145.06531	3.4
147.04382	10.7
148.05121	3.7
149.02350	34.6
149.06032	4.7
150.03075	11.2
150.05267	2.7
151.00328	2.2
151.03925	19.1
157.06516	3.5
158.03705	2.9
159.04453	14.6
161.02368	31.0
162.03130	4.5
163.03856	3.0
164.01064	11.1
165.01840	27.8
169.06573	2.6
169.14847	2.3
171.04427	3.6
172.05229	8.3
173.05981	20.5
174.03105	4.0
175.03926	47.2
176.04510	6.9
177.01813	9.5
177.05461	14.5
183.04431	7.9
186.03056	2.8
187.03879	2.6
189.05478	9.9
191.07063	6.0
197.06029	4.0
199.04007	4.4
200.04587	3.1
201.01675	2.9
201.03647	2.4
201.05505	47.4
202.05779	3.2
203.03476	19.2
204.04129	3.6
215.03552	3.9
215.07074	8.6
217.05042	14.8
219.06572	29.5
220.07034	2.8
225.05467	8.1
227.03410	4.7
231.89081	2.3
241.05000	8.2
243.02992	7.5
243.06529	24.2
245.04501	8.8
258.05383	6.9
259.06091	43.7
260.06287	2.7
269.04657	13.7
269.09848	2.6
270.04913	2.4
287.05609	98.0
288.06027	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	287.223
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
54.87602	0.3
56.99822	0.3
57.03330	0.3
57.11086	0.2
59.01247	0.8
69.13107	0.3
69.24495	0.9
69.24918	1.9
75.69199	0.2
79.16193	0.3
83.01207	0.3
88.42679	0.3
97.06458	0.4
99.08046	1.7
109.02802	0.4
117.96364	0.3
124.01575	0.4
125.02362	2.3
127.11242	0.3
129.09113	0.4
133.18115	0.3
139.11113	0.4
141.12770	2.2
155.14334	0.7
155.43608	0.3
157.12259	0.3
161.02350	0.3
213.01877	0.6
223.20692	0.4
228.04247	0.4
239.20129	0.5
241.21709	1.2
243.06651	0.3
247.34641	0.3
253.41797	0.3
259.06192	0.3
269.21292	2.9
285.20795	1.4
287.05603	0.9
287.22281	100.0
288.22635	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	288.1607
Annotation	Mesembrine
Peak:m/z	Relative Intensity
57.10688	0.2
59.01241	0.6
71.08709	0.4
75.27457	0.2
77.94295	0.2
81.03342	1.4
90.03431	0.2
92.04947	1.1
93.03362	1.3
93.94460	0.2
99.87226	0.3
107.03645	0.3
108.02086	0.7
108.04428	5.0
109.02837	5.0
121.02860	0.6
123.04427	0.4
124.01590	0.4
125.02325	0.5
134.02374	43.0
135.03192	9.4
136.03944	40.5
137.02344	1.9
137.04257	1.2
142.52800	0.3
148.03893	1.0
148.04999	0.3
149.04718	1.0
161.05952	0.3
174.15826	0.2
176.03444	4.9
177.04118	0.6
179.66315	0.3
181.03738	0.5
190.05022	0.6
245.08046	0.4
272.12881	0.3
274.15756	0.5
288.16061	100.0
289.07220	1.0
289.16364	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	289.072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02339	0.8
55.52168	0.8
57.03321	3.2
65.35655	0.8
69.03313	1.9
71.30199	0.9
71.30556	1.4
75.83018	0.8
80.02554	1.2
81.03340	4.1
81.23730	0.9
83.01266	6.7
90.58337	0.9
93.03331	2.9
95.04933	6.6
97.02838	10.3
99.04382	1.3
99.04994	0.9
105.03370	1.4
108.02070	1.8
109.02842	44.0
121.02848	4.7
123.04420	30.4
124.04768	1.0
125.02338	26.2
135.04402	3.6
137.02356	14.6
139.03885	5.9
143.94083	0.9
145.02875	1.9
146.03665	1.3
149.02356	6.0
150.03185	1.2
151.03900	14.8
157.06474	1.0
159.04407	5.0
160.05179	2.9
161.02388	1.3
161.06007	6.6
162.03105	3.2
163.03925	1.5
164.01064	4.6
165.01813	5.2
166.02617	1.0
167.03459	3.0
173.05974	1.3
174.03137	1.5
175.03903	3.6
175.07559	3.0
179.03426	10.9
187.03923	7.4
188.04704	6.6
199.07616	1.2
201.05479	1.4
202.06274	2.7
203.03391	1.5
203.07069	18.6
205.05034	13.6
217.08684	1.1
221.08182	5.1
227.07089	3.3
245.08180	34.3
246.08607	3.1
247.06175	1.3
271.06131	1.0
287.76569	0.9
289.07190	100.0
290.07556	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	289.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03082	0.9
57.03325	10.5
57.58570	0.7
69.03339	3.4
70.40598	1.3
70.81110	0.7
80.02543	1.6
81.03328	9.4
83.01260	10.7
93.03349	5.9
95.01249	2.8
95.04906	14.0
97.02831	21.5
98.19926	0.9
99.04355	0.8
103.39685	0.7
105.03342	1.3
106.03107	0.8
107.04938	1.2
108.02050	3.4
109.02840	79.4
110.03167	2.3
111.04414	1.0
117.03318	1.2
121.02842	10.8
122.03642	5.6
123.04411	60.9
124.04796	1.7
125.02338	43.3
126.02671	1.2
131.04863	0.9
133.02866	1.4
135.04436	6.2
137.02347	26.4
138.03101	3.2
139.03915	11.5
143.04977	0.8
144.90204	0.7
145.02861	4.5
146.03647	4.3
147.04442	2.1
149.02347	10.2
149.05917	1.0
150.03130	6.1
151.03915	25.2
157.06476	1.5
158.03683	1.1
159.04425	9.2
160.05234	5.0
161.02325	2.6
161.05988	12.7
162.03114	4.0
163.03908	3.1
164.01077	9.3
165.01842	9.1
166.02573	1.7
167.03416	3.7
173.06029	3.0
174.03151	1.5
175.02574	0.8
175.03844	4.7
175.07526	4.5
177.05498	1.6
179.03419	11.6
180.03801	0.9
183.34927	0.7
185.05968	2.6
187.03949	11.5
188.04707	7.9
188.61143	0.7
189.05148	0.7
199.07544	1.0
201.05489	2.6
202.06320	4.8
203.07085	28.2
204.07390	2.3
205.04979	16.2
212.04749	2.2
217.05067	1.1
217.08620	1.8
221.08141	10.2
223.25563	0.6
227.07117	5.7
230.05663	1.7
231.03008	1.1
245.08163	39.6
246.08464	2.8
247.06096	2.0
271.06094	2.3
289.07181	100.0
290.07565	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	289.0719
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03318	3.0
65.63143	0.9
68.02824	0.9
69.03357	1.1
70.00185	4.3
70.00536	1.1
80.73840	0.8
81.03330	2.1
83.01258	3.1
85.77219	1.1
92.09029	0.9
93.03316	2.0
95.01255	1.2
95.04883	4.4
97.02834	7.1
109.02841	23.7
109.30730	1.2
114.55159	0.9
121.02808	2.5
123.04425	15.7
125.02328	16.0
134.78967	1.1
135.04408	2.0
137.02356	8.4
138.03136	1.2
139.03925	3.1
145.02815	2.0
149.02339	3.0
150.03122	2.1
151.03912	5.8
159.04420	3.3
160.05196	1.7
161.05994	4.7
162.03070	1.3
164.01067	2.6
165.01826	4.2
167.03387	2.1
175.03918	1.8
175.07501	1.0
179.03401	6.7
187.03940	4.7
188.04726	2.0
188.58916	0.9
202.06305	1.3
203.07098	9.3
205.05020	8.8
212.04707	1.2
220.26178	1.0
221.08215	1.8
245.08173	34.0
246.08594	3.2
271.06198	1.6
289.07187	100.0
290.07565	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	289.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96193	0.3
54.42871	0.5
59.01258	0.8
59.84705	0.4
69.82465	1.9
89.03083	0.4
91.96480	0.4
93.03339	0.7
95.04907	0.5
98.19814	0.6
108.02080	1.6
109.02873	1.8
121.02855	2.2
122.03634	0.8
123.04408	3.0
125.02361	1.0
135.04417	1.0
137.02362	1.3
138.68752	0.4
145.02867	0.9
147.04468	0.6
147.37189	0.4
149.02373	0.9
150.03067	0.5
151.03915	31.0
152.04433	1.4
157.06520	1.4
159.04446	1.7
159.08066	0.8
161.06024	3.3
162.03160	0.5
163.03908	0.9
169.06459	1.0
171.04457	0.6
171.93163	0.4
172.05222	2.3
173.05975	3.8
174.06630	0.7
175.07579	3.9
176.08348	0.7
177.09102	0.8
179.03360	0.6
185.06032	1.7
186.06776	4.4
187.03983	0.6
187.07573	12.4
188.07959	0.7
189.05548	0.6
190.06313	1.2
191.07091	2.1
192.07707	0.6
203.07108	1.8
205.08600	3.6
243.49931	0.4
244.14708	0.5
245.08176	1.1
246.16388	0.5
247.06036	0.4
272.14124	2.9
273.14545	0.5
274.15747	100.0
275.16083	7.4
287.16507	1.4
289.07254	4.0
289.18094	25.8
290.18350	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	289.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	0.5
59.01339	0.5
59.05149	0.3
62.06662	0.3
63.32765	0.3
69.03415	0.4
70.67290	0.8
79.24827	0.4
81.03432	0.5
83.01357	0.4
93.03480	0.5
95.01384	0.4
95.05011	0.5
97.02946	0.9
98.19873	0.4
98.61620	0.4
99.04535	0.3
107.05058	0.9
109.02989	3.0
120.77465	0.3
121.02960	0.6
121.06579	0.4
122.03776	0.9
123.04447	2.3
125.02499	1.5
134.03767	1.1
135.04424	12.6
136.05212	13.0
137.02493	1.0
137.05675	0.5
145.02998	0.7
146.03728	0.4
147.04416	11.1
147.08171	0.3
148.05211	23.3
149.02400	0.5
149.06015	5.0
149.44600	0.3
151.04059	1.3
151.07690	1.3
159.04555	0.8
160.05235	0.4
161.06134	0.9
163.04053	1.0
163.07680	1.4
164.01134	0.5
165.01947	0.6
165.26047	0.3
169.06616	1.5
172.05219	5.2
173.06021	2.1
174.06781	0.4
175.04019	0.5
176.04817	1.3
177.05519	0.5
179.03516	0.9
186.06845	0.8
187.03979	0.7
187.07576	6.8
187.09137	0.5
188.01178	0.4
188.08362	1.5
190.06360	0.7
191.07062	9.3
192.07718	1.0
199.07579	0.7
201.09254	0.7
203.07127	1.1
205.05144	1.1
213.09232	1.2
221.08173	0.6
241.12407	0.6
245.08086	2.2
254.22325	0.3
256.14670	14.8
257.15128	1.1
259.02429	1.2
259.13324	1.9
260.02924	0.4
271.17062	2.0
271.30597	0.3
272.17236	0.3
274.15753	100.0
275.16098	8.8
289.07278	5.5
289.14658	2.4
289.18076	29.5
290.07339	0.8
290.10522	0.4
290.15402	0.5
290.18341	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	289.1812
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.51023	0.3
57.03338	0.5
59.01253	0.5
61.78374	0.3
68.89833	0.3
70.45535	0.8
71.04885	0.4
76.78406	0.3
81.03352	0.3
83.01266	0.6
93.03327	0.4
95.04925	0.4
97.02853	0.8
100.15012	0.3
106.53642	0.3
107.04929	0.9
109.02833	2.9
121.06499	0.3
122.03643	0.7
123.04420	1.9
125.02357	1.4
134.02420	0.4
134.03668	0.9
135.04425	12.4
136.05223	6.4
137.02350	1.2
139.03960	0.9
145.02794	0.3
147.04425	10.2
148.05209	19.9
149.06018	5.2
151.03935	1.0
151.07584	1.0
159.04459	0.7
160.05159	0.3
161.05960	0.6
163.03929	0.5
163.07562	1.8
164.01018	0.3
165.01906	0.4
167.03435	0.3
169.06493	1.6
172.05226	5.1
172.06670	0.3
173.06009	2.1
175.07556	0.5
176.04704	1.1
176.08290	0.4
179.03473	0.7
179.07098	0.3
186.06758	0.7
187.03952	0.6
187.07567	6.8
188.04703	0.3
188.08252	0.9
190.06328	0.8
191.03484	0.3
191.07086	9.9
192.07584	0.9
200.29634	0.3
201.09184	0.5
203.07146	1.2
205.04976	0.3
205.08669	0.7
213.09166	1.2
227.07103	0.3
241.12341	0.4
244.11348	0.3
245.08125	1.5
247.15891	0.3
255.13994	0.4
256.14685	14.7
257.15106	1.2
259.02414	0.5
259.13416	1.8
271.17062	2.0
272.17197	0.3
274.15756	100.0
275.16055	9.3
289.07214	4.3
289.18106	30.3
289.21460	0.6
290.07599	0.7
290.18106	3.7
290.97586	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54688	0.3
56.39961	0.3
56.50555	0.3
59.01236	0.9
70.45573	0.6
70.45911	0.7
80.02534	0.3
93.03344	0.4
95.04874	0.4
96.95909	0.3
97.06491	0.5
118.42760	0.3
119.04926	0.8
125.05905	0.4
127.11157	0.4
141.09160	0.3
148.08836	1.3
150.10397	1.0
151.11197	0.6
163.11171	1.6
165.12766	22.8
166.13078	1.4
167.63663	0.3
175.11119	0.4
176.11934	0.5
179.14307	0.5
191.14348	0.6
217.15974	0.4
245.19258	0.3
247.20653	11.5
248.21063	0.9
273.18622	7.1
274.18918	1.1
291.19666	100.0
292.20013	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	291.1968
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
59.01262	0.4
70.79444	0.4
73.02820	49.7
74.03160	0.6
79.31190	0.3
82.09893	0.3
98.20593	1.1
135.78207	0.3
146.09544	0.4
151.22826	0.4
164.14513	0.4
219.21028	0.5
291.19666	100.0
292.20001	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.9
59.01245	2.6
69.21590	3.2
71.01229	0.4
71.04891	2.0
83.04908	1.0
86.30767	0.3
95.04888	0.9
97.06461	0.7
109.06468	0.6
111.08047	12.4
112.08383	0.7
113.09633	0.6
115.45193	0.3
120.62144	0.4
121.05505	0.4
121.06459	0.4
121.10123	0.5
125.09555	0.4
137.09619	1.2
139.11197	0.4
149.09608	1.1
167.10701	2.0
168.53667	0.4
177.12793	2.1
179.10725	2.3
195.13838	8.4
195.64818	0.3
196.14113	0.6
213.77640	0.4
219.95813	0.4
229.19763	0.4
247.20575	2.7
273.18607	2.0
291.19662	100.0
292.19995	9.4
310.30139	0.4
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	Unknow
Peak:m/z	Relative Intensity
57.03333	2.1
59.01240	0.7
70.45578	1.0
70.45951	1.0
71.01288	0.7
93.06957	1.4
96.93261	0.4
96.95864	0.4
97.06493	2.1
121.10121	14.9
122.10459	0.7
123.08050	1.4
125.09618	7.3
141.12749	1.6
144.95697	0.5
147.08046	1.0
161.20558	0.5
163.11250	0.6
165.12808	0.7
171.10094	0.6
185.11763	15.7
197.11758	4.5
209.11768	1.3
211.13390	1.3
223.13452	1.2
227.14334	0.5
247.13680	0.5
247.20711	1.3
273.18625	2.0
291.19669	100.0
292.20007	9.5
307.78915	0.4
311.07553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	1.1
59.01258	1.6
65.04760	0.2
69.82724	0.9
71.01254	0.9
73.02814	0.3
79.70994	0.2
80.96050	0.2
89.02320	0.8
96.95885	0.6
98.20522	0.5
156.13857	100.0
157.14224	4.6
161.04471	0.5
161.42715	0.3
164.04269	0.4
192.11491	0.4
194.38721	0.2
200.12862	5.2
201.13223	0.3
207.13957	0.3
214.56430	0.3
220.14621	1.7
221.15454	3.0
235.32259	0.2
236.10515	2.7
292.16046	0.4
292.19824	1.0
293.08829	1.2
293.17642	0.8
293.21237	0.8
307.68759	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68074	0.6
51.03953	0.6
51.80481	0.6
54.49185	0.5
59.01248	5.8
71.01258	3.8
71.53675	0.7
73.02817	1.0
73.55380	0.5
73.95039	0.6
83.01287	1.1
85.02843	1.4
89.02332	2.7
96.95895	1.6
97.02804	1.0
101.02306	0.9
104.02337	0.6
108.04443	0.6
113.80912	0.6
121.02851	0.8
131.03407	1.0
156.13849	100.0
157.14175	4.7
161.04460	3.2
177.09082	0.8
200.12857	7.5
220.14583	3.3
221.15416	4.3
236.10471	3.9
240.95146	0.6
249.15321	0.6
286.76834	0.6
292.19879	2.2
293.08920	4.9
293.17712	1.6
293.21262	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.088
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.20991	0.6
55.01752	2.3
56.13590	0.7
58.00468	4.8
59.01252	84.2
60.01610	0.8
67.01756	0.7
69.03326	11.1
71.01254	88.6
71.07508	1.2
71.07853	0.6
72.01601	1.4
72.99182	5.7
73.02824	12.5
73.99538	0.7
75.00746	2.2
75.13596	0.6
81.03335	4.9
81.37721	0.7
83.01250	8.5
85.02818	9.2
87.00742	2.8
89.02319	100.0
90.02647	1.5
95.01259	3.4
96.95274	1.5
96.95889	24.4
97.02828	16.0
99.00760	11.7
99.04391	1.9
101.02334	13.1
111.00713	1.0
113.02341	7.1
115.03898	6.6
119.03399	0.6
125.02341	38.3
126.02547	0.9
127.03900	0.7
131.03404	6.1
143.03391	2.6
149.04463	6.4
157.24709	0.7
161.04469	2.3
170.35469	0.7
191.05490	2.5
233.04431	1.1
233.06641	18.2
234.06990	0.8
293.08972	4.7
293.14316	18.2
294.14658	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64278	1.2
58.00459	4.8
59.01251	86.6
69.03333	10.4
69.49168	9.7
71.01256	96.2
72.99189	4.5
73.02819	15.0
73.37473	1.3
75.00753	1.7
81.03329	5.2
83.01250	7.0
85.02837	9.5
87.00751	2.6
89.02319	100.0
95.01258	4.4
97.02832	14.2
99.00769	11.8
99.04379	2.7
101.02329	10.9
113.02319	6.5
115.03893	6.1
116.04337	1.2
125.02339	32.5
131.03392	7.7
143.03392	3.0
147.04402	2.4
149.04443	3.1
149.05983	5.0
161.04463	2.6
167.54977	1.5
191.05560	2.5
205.84232	1.9
233.06639	15.3
293.08801	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	293.0881
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.19009	1.1
55.01768	1.7
57.03332	12.5
57.13649	1.3
58.00485	2.0
59.01260	18.1
59.70147	1.5
69.32468	10.6
71.01265	13.2
72.99192	3.4
73.02830	5.1
76.17245	1.4
78.35180	1.3
83.01267	4.6
84.02056	4.0
85.02834	100.0
86.03172	2.4
86.34090	1.3
87.00781	2.4
89.02321	6.7
101.02333	8.0
101.05991	5.3
102.38719	1.3
103.00299	1.8
111.00732	1.9
113.02326	3.3
129.01839	12.3
131.03413	6.7
145.02914	1.5
147.02930	7.5
161.04459	3.8
177.97322	1.3
191.01942	15.0
205.05280	2.0
221.15318	1.7
275.07809	1.7
293.08978	12.5
293.21411	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	293.088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62381	1.5
55.01751	1.9
57.03334	3.3
58.00455	6.1
59.01252	100.0
61.70301	2.0
63.01677	1.5
64.51065	1.8
68.66435	1.7
69.03328	1.9
71.01257	88.9
71.53133	2.7
72.99178	8.5
73.02822	42.6
73.17950	1.7
83.01254	8.1
85.02819	25.8
87.00770	4.2
89.02325	47.0
89.48656	1.7
94.63579	1.5
95.01262	5.0
97.02852	2.3
99.00777	5.7
101.02329	34.4
102.27621	1.8
103.03888	10.5
113.02333	25.6
113.03081	2.7
119.03382	12.2
126.39064	1.7
131.03400	42.2
161.04486	10.2
173.04451	3.1
181.04782	2.0
282.06216	1.8
286.01093	1.7
293.08804	69.8
293.12097	4.0
294.09128	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12012	0.3
56.10238	0.3
59.01259	0.5
69.48055	1.8
71.01254	7.7
71.95489	0.3
75.97800	0.3
89.02270	0.3
106.62294	0.3
107.39484	0.3
127.07583	0.8
148.05203	1.0
151.07544	0.4
164.08371	1.5
165.51852	0.3
177.09142	5.5
190.09802	0.4
192.11488	7.3
193.12102	0.7
205.12294	6.7
205.14095	0.6
206.12767	0.4
207.13829	1.1
217.08682	0.5
218.09395	2.0
220.14644	50.2
221.15416	100.0
222.15759	5.7
235.13371	1.2
236.10503	69.8
237.10916	4.2
238.36803	0.3
293.08789	1.0
293.17603	7.8
293.20654	0.4
294.17987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46027	0.2
51.63750	0.2
51.79552	0.2
59.01252	1.2
64.27137	0.3
71.01253	0.8
79.95599	2.3
89.02328	0.9
90.04726	0.2
95.95129	0.3
96.95889	100.0
97.02834	0.3
97.95177	0.2
97.95832	0.4
99.40917	0.3
132.34042	0.3
145.02800	0.2
161.04453	0.6
190.39232	0.2
220.14552	0.4
221.15414	1.1
229.11740	0.3
236.10443	0.6
293.09177	1.7
293.17926	74.0
294.18253	4.9
294.44238	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.9
60.39470	1.3
71.03142	2.1
82.60696	1.5
94.19307	1.3
104.44773	1.4
121.10124	50.0
122.10453	1.8
125.09584	4.1
133.71353	1.4
149.09621	1.5
162.10434	1.2
165.50581	1.2
171.10178	84.3
172.10530	2.6
183.20798	1.4
185.11731	3.1
197.11700	1.6
231.21182	4.5
245.68153	1.3
275.20160	100.0
276.20523	8.7
293.21228	60.8
294.21582	6.3
302.33389	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93686	0.6
53.25569	0.6
56.01607	0.5
59.01247	1.2
64.33608	0.6
71.11293	1.5
95.04875	1.0
111.08031	0.7
134.98633	0.6
148.97244	0.7
167.10719	1.0
177.12718	0.6
195.13840	16.1
196.14429	1.9
205.12401	0.8
223.13376	13.0
224.13921	1.1
228.13632	1.6
230.75993	0.7
243.54153	0.7
255.84015	0.7
256.13165	4.7
275.20197	7.8
293.21231	100.0
294.21570	8.7
305.09256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.38369	0.7
57.03320	1.9
59.01250	10.6
68.77499	0.7
69.41344	5.7
70.58951	0.7
71.01254	6.3
71.04891	6.0
73.02836	1.8
85.02811	2.4
87.00743	1.2
89.02316	4.4
95.40173	0.7
96.95895	5.6
97.02812	1.0
97.06477	0.9
101.02332	1.4
111.31043	0.6
112.46074	0.7
113.02335	0.9
113.09659	1.1
131.67241	0.7
151.00630	0.9
161.04501	4.0
161.25258	0.7
195.13809	1.5
202.75185	0.7
205.12181	0.7
209.15419	2.1
211.00838	1.0
219.06927	0.8
220.14642	2.5
221.15465	6.5
223.16975	5.9
231.21211	2.6
233.15492	0.9
235.17001	48.3
236.10580	3.7
236.17296	3.6
247.04427	0.8
275.20151	45.8
276.20505	4.8
291.07193	1.2
293.08911	48.9
293.21216	100.0
294.08942	6.2
294.21515	11.7
294.77484	0.9
309.51318	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.3
59.01257	5.1
61.98680	0.5
66.47768	0.3
69.03281	0.4
69.22233	0.4
70.11012	1.7
71.01263	2.7
72.99179	0.4
73.02792	0.4
85.02821	0.7
85.10141	0.4
89.02345	2.3
96.95873	2.3
97.02830	0.8
97.06461	1.5
101.02319	0.6
113.09591	0.5
116.13249	0.4
123.08062	0.8
125.09614	4.3
131.03418	0.6
141.12708	1.6
145.88792	0.3
149.09628	1.8
161.04465	1.1
183.13840	0.5
185.11748	9.2
193.15869	0.5
197.11761	2.4
211.13210	0.4
220.14691	0.8
221.15411	1.8
224.91862	0.4
229.06892	0.4
236.10426	1.1
249.22232	0.9
275.20111	0.8
293.08768	3.5
293.21225	100.0
294.21579	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25811	0.4
52.27287	0.4
59.01258	0.7
69.03333	0.7
69.92031	0.4
69.95781	0.9
69.96177	1.1
71.01268	0.5
72.99173	1.0
73.02853	0.4
74.14548	0.4
78.25166	0.5
83.04885	0.9
85.02822	0.6
89.02328	0.5
91.41923	0.4
95.04887	0.5
96.95905	1.3
103.76152	0.4
104.01949	0.4
109.06465	0.5
113.09663	0.5
113.53754	0.4
125.09560	1.1
139.11197	3.3
153.12813	2.3
174.24872	0.5
178.46275	0.4
191.17999	4.4
213.25177	0.5
221.15382	1.4
224.14116	0.5
232.90852	0.4
247.20651	2.9
250.46629	0.5
275.20218	0.8
291.19659	0.7
293.21234	100.0
294.18347	0.6
294.21585	9.8
297.68625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03312	1.5
59.01260	2.3
67.20161	0.4
70.82959	0.9
70.83286	0.7
125.09598	1.8
141.12709	0.9
171.10181	45.3
172.10486	1.7
183.10126	0.9
195.13773	1.2
233.22643	0.7
239.95494	0.5
277.21719	57.0
278.22095	4.6
295.22772	100.0
296.23123	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.74826	0.3
55.72144	0.2
57.03316	0.4
59.01260	2.4
66.01537	0.2
69.03337	0.5
69.55045	1.7
71.01244	0.8
71.04874	0.3
72.99172	0.6
77.04049	0.3
79.51822	0.2
80.73558	0.2
81.03349	0.4
83.04905	0.5
84.02058	0.3
85.02805	0.3
89.93880	0.3
90.74040	0.3
95.04900	0.4
96.32017	0.2
96.95857	0.4
97.06438	0.6
98.95475	1.3
101.02313	0.8
109.06474	0.5
119.62154	0.3
125.09608	0.3
127.11197	1.4
133.04962	0.5
139.11201	0.5
141.12761	10.0
142.13081	0.4
142.85457	0.3
155.14319	4.9
169.15930	0.4
173.30562	0.3
181.15793	0.3
191.18013	0.3
195.13815	0.3
247.20775	0.5
249.22221	9.2
250.22606	0.8
277.21832	1.5
293.21228	0.4
295.22787	100.0
296.23138	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03316	0.9
59.01251	4.8
66.24640	0.3
71.01245	1.3
73.02821	0.4
83.04891	0.4
85.02825	0.4
89.02292	0.5
97.06515	0.3
99.08035	0.6
101.02313	0.9
108.90569	0.3
113.02321	0.5
113.09615	2.7
125.09528	0.3
133.04929	0.7
159.84946	0.3
171.10172	1.3
177.12752	0.7
179.14307	1.0
180.32892	0.4
181.12309	0.7
195.13843	19.1
196.14182	1.1
211.38980	0.3
220.43951	0.3
227.22878	0.3
235.08179	0.4
277.18539	0.9
277.21719	20.4
278.22147	1.5
295.22784	100.0
296.23126	8.6
305.24469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
55.97121	0.7
57.03328	1.3
59.01256	12.6
62.80533	0.7
70.02163	2.9
71.01254	5.0
73.02809	1.4
85.02827	1.8
87.00728	0.7
89.02300	1.8
97.06483	1.0
101.02308	2.4
109.06485	1.0
113.09610	3.5
119.03395	0.9
133.04953	1.3
133.33444	0.7
161.04463	1.2
177.12869	0.8
179.14389	1.1
183.13860	4.2
195.13838	30.9
196.14307	1.4
226.22365	0.7
235.08293	0.9
251.23782	1.1
253.09323	0.8
277.21744	27.5
278.21979	1.6
295.10150	1.8
295.22800	100.0
296.23148	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03317	2.2
59.01253	39.8
71.01253	15.2
71.54282	4.7
73.02815	4.9
83.01251	3.1
85.02820	3.7
89.02341	5.1
101.02338	12.9
113.02331	5.1
133.04971	8.3
135.04604	2.3
161.04483	8.1
167.26263	2.0
171.10190	39.3
172.70226	2.4
181.92296	2.2
220.99207	2.5
235.20670	3.1
249.05852	3.0
251.20090	2.6
277.21741	62.4
278.21970	4.7
295.10306	5.0
295.19012	5.8
295.22736	100.0
296.23035	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	297.1128
Annotation	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether
Peak:m/z	Relative Intensity
55.01752	1.8
57.03325	5.8
59.01250	7.4
68.99684	1.2
71.01251	4.0
71.25133	0.6
73.02854	0.4
79.01764	13.1
79.05418	0.6
85.02818	1.1
87.04391	1.2
89.02302	3.1
99.00761	0.4
101.02341	2.2
101.03825	0.4
109.02849	1.6
113.02312	1.7
117.06983	0.3
119.03407	1.9
121.06478	1.3
122.03550	0.3
125.05956	1.1
133.06482	0.4
135.04382	0.4
135.06564	1.8
137.02304	0.4
147.04420	0.7
149.02296	0.4
149.05992	14.4
150.03180	1.6
150.06299	0.7
155.08624	0.5
155.54247	0.4
157.31055	0.4
159.08041	1.1
161.04480	0.6
161.05925	0.3
166.06216	0.6
167.07057	3.6
171.04399	4.8
173.09637	1.0
178.02589	1.8
179.05565	0.8
183.01146	1.5
183.08080	1.5
191.03444	1.0
193.04996	15.5
194.05313	0.8
196.08833	0.9
197.02742	0.7
200.08380	1.1
203.16051	0.4
210.06879	0.4
211.11223	2.0
225.12793	0.7
229.12137	0.7
237.09444	0.8
253.12334	11.3
254.12592	0.7
255.10275	1.4
287.30038	0.3
297.11334	100.0
297.24371	3.7
298.11661	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	297.1192
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01752	1.2
57.03313	1.4
58.00473	2.7
59.01253	100.0
63.75475	1.0
71.01257	46.5
72.99187	3.1
73.02831	4.4
76.60062	0.9
83.01256	2.8
85.02821	14.4
87.00757	2.5
89.02319	42.7
95.01267	4.0
101.02319	23.7
102.02650	0.9
103.75063	0.8
104.03403	1.0
113.02328	13.9
119.03396	13.3
129.30199	0.8
131.03368	1.1
135.06526	10.3
143.03412	1.0
161.04486	6.5
179.05565	7.5
196.64047	1.0
237.09715	2.8
297.11926	13.7
297.24319	3.0
297.27545	1.1
298.11935	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1193
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01757	3.9
57.03322	2.7
58.00470	3.9
59.01252	100.0
71.01254	65.1
71.52462	1.4
71.52886	2.5
72.99182	6.0
73.02810	10.1
75.00750	11.5
82.27062	1.5
83.01254	3.8
84.62817	1.6
85.02821	15.3
87.00761	5.2
89.02321	69.6
95.01264	4.4
99.00774	2.9
99.54443	1.8
101.02332	40.2
105.01807	2.0
113.02338	24.8
117.01830	3.6
119.03398	25.6
120.70499	1.9
123.93014	1.6
129.96394	1.7
131.03375	3.0
135.02892	2.7
135.04413	2.5
135.06538	18.1
143.03412	5.4
149.04486	2.2
159.02937	2.0
161.04478	10.8
179.05533	16.4
181.07074	2.4
237.06194	4.1
237.09712	3.8
297.08292	19.9
297.11893	24.3
297.24399	8.7
297.27560	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	297.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	16.7
70.87224	3.0
71.01255	18.7
72.02038	33.1
79.07205	1.3
85.02833	2.6
86.08994	1.5
89.02326	9.2
98.03609	5.4
101.02323	4.8
104.68387	1.3
111.29840	1.4
113.02303	1.9
119.03350	4.0
135.06522	3.5
161.04459	1.6
183.01129	6.0
209.19037	5.9
225.22192	2.6
235.20633	25.1
236.20790	1.6
253.21712	100.0
254.22021	9.0
263.65207	1.5
283.07358	1.5
297.11734	6.1
297.15274	9.1
297.20715	7.5
297.24332	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	297.2071
Annotation	Plakortic acid
Peak:m/z	Relative Intensity
59.01256	25.2
63.01413	1.8
67.07912	2.0
70.71063	3.0
70.71412	4.0
71.01255	20.8
72.02039	24.7
73.02826	2.6
77.58229	2.2
85.02803	3.0
89.02328	13.1
98.03613	4.9
101.01711	2.1
101.02337	7.7
113.02340	4.5
118.40594	1.8
119.03375	5.8
135.06491	2.7
161.04558	2.9
179.05420	3.6
183.01106	7.7
209.19019	5.3
216.72710	1.8
225.22168	2.6
235.20657	17.0
253.21725	100.0
254.21991	5.4
273.82251	2.0
290.60730	1.9
297.11722	7.4
297.15240	17.0
297.20660	9.3
297.24283	15.5
297.27469	2.9
298.24557	2.5
301.58170	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47551	3.2
59.01250	7.1
60.31198	2.9
63.96112	31.1
71.01250	5.4
71.49339	4.1
72.99184	29.0
73.08075	3.9
73.98186	12.7
74.98982	12.1
85.02840	3.3
89.02335	4.5
93.03355	3.9
94.62775	3.4
117.03351	8.4
117.97197	24.5
119.04939	4.1
121.02843	3.6
123.04388	3.5
126.15807	3.4
135.98265	100.0
136.99023	15.1
137.02376	4.5
138.05473	4.0
145.02853	51.2
160.94066	3.2
163.03897	6.9
211.04280	5.2
238.72244	3.5
273.82349	3.2
284.03101	5.5
299.05603	5.7
299.16525	69.5
299.25833	9.7
300.16766	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	299.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
85.33643	0.5
111.55255	0.5
129.06985	1.1
143.08575	1.2
145.06506	1.7
148.01549	1.0
161.02348	1.6
162.03127	7.6
163.03839	0.8
165.01894	0.7
169.06480	0.9
170.07260	4.7
171.08095	5.7
172.05153	1.0
173.05983	0.8
175.03931	1.7
185.06030	1.3
185.09622	1.7
186.03085	0.6
187.07593	1.3
199.03955	2.2
200.04678	3.2
201.05452	2.8
202.06316	5.1
212.04709	0.8
213.05495	4.4
214.06123	0.7
215.07092	54.3
216.07791	11.4
229.08675	1.6
241.08705	1.2
245.67569	0.5
255.10242	0.8
269.11795	2.6
283.13574	1.9
284.14188	44.0
285.14401	2.5
299.16525	100.0
300.16855	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
65.96507	0.3
69.95782	0.4
69.96200	0.8
129.07004	0.8
130.04149	0.3
133.02867	0.3
138.03128	0.5
143.08571	0.9
145.02864	0.8
145.06494	1.1
148.01598	0.7
149.02318	0.3
156.05717	0.6
157.06528	0.8
159.04443	0.7
161.02347	1.5
161.06061	0.5
162.03139	7.6
163.00301	0.3
163.03821	1.0
165.01906	0.7
169.06532	1.0
170.07298	5.3
171.08070	5.5
172.05208	0.8
173.05978	1.1
175.03893	2.1
185.02258	0.5
185.06027	1.4
185.09642	1.5
186.03166	0.8
186.06764	0.4
187.03946	0.4
187.07587	1.6
188.04678	0.3
193.01260	0.2
194.02174	0.4
198.61682	0.2
199.03963	2.0
200.04762	3.6
201.05502	2.1
202.06288	3.7
203.06799	0.3
212.04771	0.7
213.05510	4.1
214.06201	0.9
215.07092	54.5
216.07808	13.2
217.08250	0.5
227.07198	0.4
229.08638	1.5
239.14371	0.4
241.08672	1.5
248.06776	0.3
255.10229	0.5
265.18292	0.2
269.11920	2.2
283.13354	1.3
284.14178	40.3
285.14536	3.9
299.16522	100.0
300.16891	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	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00220	0.6
58.00471	0.3
59.01252	2.1
59.30970	0.2
63.62306	0.2
68.01289	3.2
71.01250	1.0
71.53889	0.2
77.54697	0.2
89.02323	0.5
94.06528	0.4
96.04457	0.5
98.02380	0.4
101.02314	0.3
109.01591	0.3
110.02316	0.3
110.06026	0.3
122.02377	0.9
123.00804	0.3
123.03155	6.8
123.04453	0.3
124.03948	0.5
124.07574	0.9
136.07605	0.7
137.04727	0.8
138.05511	100.0
139.05881	3.3
145.02861	0.4
146.03185	0.3
152.03426	0.5
152.07077	1.9
166.08626	0.5
167.05785	2.2
168.06534	0.6
180.06592	5.3
210.07626	0.4
222.07722	0.2
231.24860	0.2
240.08696	0.4
244.45801	0.2
300.10901	13.8
300.16592	0.6
301.11069	1.2
305.61383	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47382	0.4
56.70059	0.4
57.41997	0.3
59.01253	1.7
68.01292	0.6
68.67722	0.4
69.53846	2.2
71.01246	1.0
72.94470	0.4
78.82907	0.5
89.02322	0.7
108.08102	0.5
119.04980	0.5
123.03156	13.3
127.29959	0.4
137.04749	1.2
138.05508	100.0
139.05858	3.5
146.03252	0.7
148.26115	0.5
152.07100	0.7
167.05821	0.9
180.06551	1.3
183.29793	0.5
184.13916	0.5
196.59901	0.4
206.51393	0.4
242.64796	0.4
300.10928	5.3
300.16898	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	301.0356
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.52752	0.3
59.01250	1.4
63.02269	7.9
65.00198	14.4
66.00521	0.6
83.01260	8.5
86.99538	0.5
93.03339	4.4
95.01260	0.8
107.01276	22.2
108.02112	0.5
108.04460	0.5
109.02838	2.5
111.00739	0.4
121.02844	21.1
122.03174	0.9
123.00775	0.6
124.01560	0.7
125.02349	1.1
135.00758	0.5
136.07603	0.9
138.03154	0.4
139.03908	1.9
145.02823	0.4
146.79924	0.4
147.04379	0.7
149.02338	2.9
151.00279	61.6
152.00656	2.7
159.04398	1.0
161.02351	1.2
163.00261	1.4
163.03918	1.2
164.01050	1.6
169.01343	4.1
173.06050	0.5
175.03918	0.8
177.01857	0.4
177.05432	0.5
178.99788	22.6
180.00151	0.7
183.04427	1.0
185.02428	0.4
185.05971	0.4
187.03938	1.1
189.01836	0.5
193.01335	1.0
195.99976	0.5
199.03905	0.5
201.05566	0.9
203.03374	0.5
211.03830	0.6
215.03401	0.5
227.03474	1.4
229.05032	1.6
233.04099	0.4
243.02925	0.6
245.04526	2.5
253.05066	0.4
255.03018	1.2
255.06793	0.4
256.03561	0.7
257.04510	0.9
257.12982	2.0
271.06076	0.4
272.03134	0.6
273.04062	4.5
286.08194	0.6
301.03534	100.0
302.03870	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	301.166
Annotation	Viridamine
Peak:m/z	Relative Intensity
57.04551	0.7
57.67970	0.8
60.97375	1.0
63.48865	0.6
70.92132	1.6
74.98945	1.2
81.59814	0.6
82.64259	0.6
90.57211	0.7
107.30692	0.6
118.96111	0.8
134.99309	6.1
136.97224	2.4
150.98766	0.7
159.08376	1.6
161.06299	7.4
175.18486	0.6
200.53392	0.7
201.04016	1.0
203.05568	4.1
215.05576	1.1
217.07170	88.1
218.07292	6.5
230.80171	0.7
285.13480	32.9
286.13770	3.2
301.16620	100.0
302.16821	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	301.2021
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03316	3.2
59.01236	1.1
65.00225	0.7
67.34269	0.6
71.49357	0.7
93.03342	3.3
95.04917	0.6
96.95895	0.6
97.06461	2.5
99.08018	1.0
107.01229	0.8
113.09599	1.4
121.02845	0.9
123.00793	3.5
123.08066	1.0
125.09603	7.1
134.03636	0.8
135.04411	1.1
137.02345	2.4
138.03104	2.0
139.03928	1.7
151.00256	2.5
165.05443	0.7
178.02592	0.8
178.99747	0.7
179.03387	1.5
187.09651	5.2
193.05029	0.6
221.19054	37.3
222.19327	1.9
229.08656	0.7
234.74028	0.7
237.18539	1.3
239.16284	0.7
239.20076	3.1
244.30559	0.6
245.04518	0.8
253.04930	1.1
257.21155	2.3
265.15390	1.2
265.18091	17.2
266.18369	1.3
271.06055	1.0
273.04129	1.5
283.19125	20.2
284.19458	1.3
286.08392	0.9
300.72498	0.6
301.03442	2.6
301.11136	4.2
301.16840	5.7
301.20169	100.0
302.11176	1.2
302.17291	1.1
302.20517	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	302.2126
Annotation	Samandarone
Peak:m/z	Relative Intensity
58.03541	4.2
58.31911	3.8
60.24721	3.8
73.81718	3.6
78.41880	3.6
79.95607	12.8
101.54466	4.0
108.02061	5.1
133.01469	4.3
146.02388	7.3
148.05145	6.4
217.19629	11.4
254.44273	3.9
261.18576	100.0
261.21313	7.4
262.19064	4.9
302.03842	10.2
302.21298	42.0
303.19971	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	303.0512
Annotation	Taxifolin
Peak:m/z	Relative Intensity
57.03323	19.0
59.01247	2.0
59.84701	0.8
63.95654	0.8
65.00197	3.9
69.31892	3.1
69.32317	4.3
71.04886	0.9
79.96792	0.8
83.01263	6.0
93.03332	1.1
95.01262	1.3
96.95895	2.3
98.19856	2.1
107.01270	2.7
109.02840	4.7
111.00768	2.0
121.02821	1.2
122.03682	1.6
123.04409	7.4
124.01556	2.5
125.02338	100.0
126.02686	2.6
135.99742	0.9
137.02341	4.0
139.03900	2.8
145.02869	1.0
146.03671	1.2
147.04370	2.1
149.02347	4.8
150.03125	7.3
151.00262	8.2
151.03946	10.3
152.01060	3.4
153.01894	7.3
156.89301	0.9
161.02415	1.8
171.04419	1.4
173.06000	1.4
174.03185	4.7
175.03926	19.3
176.04265	1.0
176.99345	0.8
177.01855	16.3
178.02344	1.1
178.99806	9.0
181.01338	1.9
188.04689	2.1
189.05499	5.5
193.05009	3.1
199.03934	9.4
201.01884	2.9
201.05664	0.9
204.63731	0.8
211.71190	0.8
213.05551	1.7
216.04221	1.7
217.04984	9.3
218.05261	0.9
229.05057	2.0
241.05080	7.6
243.03076	1.6
244.07375	1.7
257.04462	1.8
259.06094	5.7
259.09613	1.3
275.05615	5.6
285.04053	56.5
285.12646	1.2
286.04495	4.4
303.05081	7.7
303.08823	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	303.0874
Annotation	4'-O-Methylcatechin
Peak:m/z	Relative Intensity
54.98948	1.3
67.26717	1.3
68.99718	1.3
69.03333	6.9
70.02695	4.4
70.78642	1.4
72.99171	1.4
81.03299	3.3
83.01254	15.9
93.03338	4.5
95.04894	10.8
97.02829	43.4
98.20432	2.5
108.02055	4.9
109.02852	9.1
121.02832	8.2
122.03634	14.9
123.04405	5.6
124.01518	3.8
125.02356	7.2
137.02341	85.2
138.03024	5.4
139.03976	6.4
145.02852	2.6
148.01541	3.6
149.02345	3.9
150.03130	7.0
151.00264	1.6
151.03854	3.4
154.02623	2.3
159.04410	1.6
160.05196	1.6
161.02365	4.0
162.03096	1.4
163.03949	3.2
164.01093	2.4
165.01880	7.2
165.05449	4.7
166.02515	4.2
167.03313	2.0
173.06006	2.0
179.03464	3.4
186.02913	1.5
187.03909	1.5
189.01854	1.9
195.08180	2.1
201.05466	6.3
202.06268	5.9
203.03401	1.4
204.04184	6.0
211.07553	1.5
215.90074	1.5
217.08603	6.8
219.06540	6.3
220.07379	18.2
221.07664	1.9
223.07634	5.9
235.09653	7.5
241.08607	4.3
244.07364	11.3
246.05389	1.6
257.08301	2.9
259.09775	8.5
261.07678	2.5
267.02170	1.3
267.06583	2.1
269.04562	2.1
270.05316	5.1
285.07693	10.5
303.08725	100.0
304.09085	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	303.1604
Annotation	Hydroxypiloselloidone
Peak:m/z	Relative Intensity
62.32780	1.7
70.71058	3.0
93.03329	4.4
121.02853	78.6
122.03147	2.1
125.02374	1.6
131.08560	1.4
157.06531	9.4
159.04459	5.7
160.05194	5.9
161.05963	9.8
173.05960	5.6
174.06731	3.2
175.07570	20.4
192.04288	2.0
219.06694	6.0
244.14662	62.0
245.14972	4.2
288.13669	60.1
289.13998	3.6
301.19595	1.8
303.16013	100.0
304.09634	1.8
304.16287	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	303.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42553	0.5
57.03315	4.1
58.00469	3.7
59.01235	1.2
61.98701	0.9
63.68074	0.6
71.04891	5.4
73.02818	6.2
81.03324	0.7
83.04897	1.4
84.30981	0.6
85.06450	2.6
97.02838	0.8
99.04395	23.9
101.02314	1.9
106.47459	0.6
115.03889	7.6
117.05477	1.1
125.09657	0.5
137.02336	1.8
139.59120	0.6
153.12747	3.4
155.14316	33.4
156.14636	1.1
167.14317	1.2
169.15903	2.5
181.15887	1.7
183.13853	1.9
183.17456	5.3
185.15395	30.1
186.15704	1.8
187.18025	0.7
199.16989	6.5
205.19600	3.9
221.19003	0.7
223.20647	6.4
229.04926	0.9
244.07332	0.6
259.22757	0.6
267.19550	0.7
285.20724	27.6
286.21085	2.0
303.21768	100.0
304.22156	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	304.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	50.1
59.01267	0.4
59.03192	0.3
67.54252	0.3
70.82703	0.7
99.92434	0.3
148.10330	0.3
168.13857	100.0
169.14218	5.8
174.38716	0.3
179.36557	0.3
205.55170	0.4
212.12872	5.0
213.13141	0.4
256.00922	0.4
304.19116	0.7
318.55176	0.3
327.00845	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1144
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
59.01266	2.2
65.99725	0.8
68.99675	0.4
69.77877	1.6
71.01239	1.2
73.02821	0.4
82.02845	3.4
85.02802	0.5
89.02301	0.3
92.04910	0.4
94.02862	1.5
96.04420	4.2
96.95908	0.9
97.02837	0.5
98.05981	0.4
100.03939	0.8
101.02332	1.1
103.00018	0.3
113.02348	0.8
119.04912	1.3
120.04450	1.0
122.03630	3.9
122.06012	2.3
136.03922	1.1
138.05505	100.0
139.05840	3.5
142.05023	1.7
143.03116	0.3
150.05493	0.4
160.06145	0.6
161.04681	0.7
163.03914	1.7
174.05540	0.4
188.07091	0.9
190.08691	1.2
201.09181	0.3
202.08714	1.1
216.10284	0.7
217.06181	1.3
218.07005	1.6
218.11911	1.5
233.09242	5.5
233.11359	0.4
234.09543	0.4
244.09776	0.7
245.09276	0.6
257.64627	0.3
261.12427	10.9
262.12741	0.6
287.10318	1.6
305.11447	14.7
306.11774	1.8
320.60342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.176
Annotation	Mikanialactone
Peak:m/z	Relative Intensity
57.03321	16.7
58.02853	4.7
59.01252	100.0
61.14903	1.4
63.95609	1.8
65.85345	1.3
69.03342	2.4
69.19285	1.3
71.00890	1.3
71.01265	3.1
77.24224	1.4
81.03349	4.4
83.04942	1.6
84.39828	1.5
95.01252	2.6
95.04885	4.1
97.02826	18.8
101.02309	1.6
106.85808	1.5
108.02054	31.3
110.03616	6.2
111.04404	2.9
113.02367	1.6
122.03574	1.7
123.04424	14.9
124.05202	34.7
125.05997	18.2
137.05983	4.8
138.09981	1.6
168.04193	32.9
168.13846	6.2
169.14200	4.6
176.08385	10.9
243.17537	4.7
245.15448	20.2
246.15880	2.1
261.18594	22.6
290.14459	2.5
292.03415	1.7
305.08395	3.1
305.17590	43.4
305.20813	1.9
306.17905	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	305.1761
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03315	1.8
59.01266	5.2
59.01518	1.1
69.03316	0.9
71.01237	1.5
71.04897	33.6
71.17860	1.2
81.03311	3.6
83.04915	1.7
85.02828	1.3
89.96268	0.9
93.03348	2.7
95.04904	15.7
97.06461	1.3
100.75258	0.8
106.04118	2.0
107.04897	2.4
108.02048	1.3
109.02828	1.8
109.06483	12.5
111.04395	1.5
111.08022	0.8
119.04933	1.4
121.02896	0.9
121.06500	5.3
122.03638	2.1
123.08072	1.6
125.09565	1.1
127.07565	2.0
133.06468	0.9
135.04436	0.8
135.08040	5.4
136.05159	0.9
139.07549	1.1
147.04463	1.6
147.08080	2.7
149.05998	1.0
150.06772	0.7
151.03922	0.9
153.09093	0.8
159.04399	0.8
161.06007	3.4
161.09604	1.9
165.09129	10.8
175.07527	1.0
185.11781	2.7
189.12779	13.1
205.15938	8.3
206.16150	0.9
215.10912	0.9
223.13304	0.9
230.71574	0.7
231.13876	1.7
233.11798	8.1
243.17545	10.2
245.15486	0.8
249.14980	12.5
261.18570	3.8
263.16461	1.7
269.15506	2.8
271.06012	0.8
277.08612	1.0
282.36194	0.8
287.16531	74.9
288.16922	7.3
289.14484	1.1
291.14789	2.1
305.17593	100.0
306.17838	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	307.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80893	2.2
55.01752	2.7
56.99035	2.0
57.03334	17.3
59.01253	100.0
60.56550	2.0
71.01257	17.3
71.53613	2.4
72.41508	2.0
72.99191	2.4
73.02819	6.5
78.79891	2.2
83.01260	9.0
85.02827	62.3
88.03925	6.6
89.02310	5.2
92.34205	2.2
96.95853	3.7
98.05605	2.4
101.02331	10.0
101.05967	12.6
111.00792	16.4
113.02341	3.8
115.00236	2.9
121.52293	2.3
129.01830	28.0
132.02936	21.7
134.03587	4.9
135.04413	27.4
138.72856	2.1
145.02808	2.5
149.06041	2.4
161.04538	4.9
166.66461	2.5
179.03410	23.3
205.03485	12.5
269.06497	3.0
302.45779	2.4
307.10495	3.2
307.13867	8.7
316.79471	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.0
59.96600	0.3
70.10955	0.9
70.11294	0.3
71.01254	0.6
74.98943	6.1
74.99342	0.4
75.96078	0.4
91.02090	2.4
93.00030	2.8
101.02316	0.5
108.41053	0.3
135.04431	0.4
140.30936	0.3
149.00868	2.8
150.98784	0.3
159.08385	7.4
161.06300	1.8
179.03694	0.3
192.98106	0.9
206.99666	1.6
209.01250	2.8
217.07224	0.8
223.02797	49.2
224.02818	4.2
225.00676	0.4
241.03915	1.0
275.06006	0.4
289.07507	1.7
291.09103	100.0
292.09244	11.4
307.12659	2.0
308.81094	0.3
309.10068	1.8
329.57443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10407	0.3
59.01259	2.5
64.80697	0.3
71.01266	1.2
72.85409	0.3
74.98951	4.5
89.02328	0.4
91.02103	2.6
93.00026	3.2
93.50737	0.3
96.95876	0.3
101.02294	0.4
135.04442	0.7
139.85909	0.4
149.00868	2.7
159.08383	6.9
160.27676	0.3
161.04459	0.8
161.06287	1.5
179.03452	0.8
181.04996	0.5
192.98088	0.6
206.87700	0.3
206.99716	1.0
209.01207	2.4
217.07185	0.9
223.02800	48.6
224.02844	3.9
230.18959	0.4
231.36626	0.4
241.03882	1.0
259.55923	0.4
275.05997	0.4
279.61887	0.4
289.07526	2.0
291.09103	100.0
292.09244	10.4
307.12656	2.2
309.10257	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	307.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	13.3
59.01255	100.0
61.68623	1.8
61.99189	1.8
71.01259	13.5
71.53042	2.6
72.99166	1.9
73.02827	5.5
83.01246	8.1
85.02824	71.6
88.03926	4.5
89.02321	6.1
96.95921	2.7
99.00795	1.8
101.02345	10.2
101.05967	13.4
111.00763	19.7
114.01878	2.1
115.00263	1.9
117.32340	2.3
119.03382	3.1
129.01828	35.2
132.02921	17.3
134.03641	4.9
135.04428	19.2
145.08592	2.5
159.02985	2.5
161.04445	3.3
179.03424	25.3
205.03445	13.3
219.10550	5.8
307.07504	2.4
307.14368	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.70206	2.3
54.00896	2.1
57.03321	8.8
59.01252	27.8
69.03311	3.4
69.82780	11.0
71.01248	10.8
73.02818	4.7
79.95599	12.8
80.02497	3.1
81.03342	4.5
83.01261	7.2
83.04897	4.0
85.02335	2.2
85.02824	5.9
89.02326	6.7
92.01396	2.4
94.08613	2.2
94.14796	2.3
95.04906	3.5
96.95892	4.9
97.02847	9.8
97.06471	10.6
98.20645	2.3
101.02321	6.0
121.06490	4.3
123.04413	13.5
123.08059	6.9
125.05969	3.3
125.09639	20.3
135.04424	11.4
135.08046	6.5
137.09630	15.1
141.12753	3.6
142.02655	2.8
161.04469	6.3
163.07487	3.6
163.11201	17.7
165.09088	3.6
165.12874	3.4
167.10670	2.8
177.12831	3.3
179.03462	8.3
179.10786	3.6
181.12296	6.0
185.11763	22.9
191.10675	4.4
191.14333	17.4
207.10210	10.0
209.11778	34.0
225.11282	10.1
233.15463	5.0
245.19104	37.7
263.20203	6.2
271.17072	5.6
289.18082	100.0
290.18378	9.0
307.10361	10.1
307.15668	5.3
307.19147	59.8
307.22491	3.1
308.19144	19.4
322.49005	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
51.11102	4.7
57.03309	7.4
59.01248	50.1
62.86536	4.5
63.37081	4.4
69.03344	5.9
71.01266	34.4
71.54314	8.2
73.02798	5.6
77.18418	4.7
83.04887	8.6
85.02830	10.8
89.02325	9.2
93.16200	4.8
97.06476	10.8
101.02338	10.0
103.03904	6.5
111.08025	8.1
121.02843	5.1
125.09542	5.6
132.46216	5.2
135.04396	14.0
136.22171	4.4
151.11182	18.7
155.10612	8.2
161.04430	11.8
163.11169	6.4
165.12758	16.1
179.03369	4.8
181.12231	18.7
191.10605	12.0
191.14326	9.0
209.11748	36.1
211.13274	6.1
245.19127	32.9
251.04008	5.3
263.20389	5.7
271.17072	4.9
289.18091	48.1
307.10355	22.3
307.19101	100.0
308.19177	5.8
318.26401	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Albocycline
Peak:m/z	Relative Intensity
52.55740	0.9
57.03320	0.8
59.01249	13.2
69.03335	1.1
69.67560	0.9
70.59727	2.5
71.01254	6.2
71.04897	4.4
72.40099	0.9
81.03335	2.2
83.01282	1.0
83.04900	1.4
85.02827	2.6
89.02322	1.7
95.04906	2.2
96.66265	0.9
96.95904	2.7
97.02818	1.4
98.03606	1.5
101.02295	2.7
103.03886	1.0
106.04112	1.0
109.02876	1.1
109.06474	14.2
110.03601	1.6
111.04414	6.6
111.08023	1.4
112.05223	1.2
113.02328	1.0
123.08022	1.6
125.05968	1.7
127.07549	4.1
135.04407	4.5
143.10670	1.7
145.06465	1.3
151.11174	1.5
161.04459	2.6
167.10625	2.3
177.47675	0.9
179.03406	4.0
179.10651	1.2
187.42969	0.9
191.14375	1.2
195.13809	2.6
205.15756	1.2
235.13187	1.0
245.19096	6.8
251.16493	2.0
261.18707	1.4
271.16953	1.1
273.14917	1.1
287.16412	2.5
289.18106	100.0
290.18381	7.5
307.10556	5.8
307.15775	2.2
307.19177	21.2
308.19492	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.23933	1.9
57.03320	2.2
59.01249	25.8
66.90793	2.2
71.01254	12.7
71.53990	2.3
73.02815	4.9
83.04871	3.2
84.59334	2.5
85.02834	4.6
89.02268	3.2
96.95867	4.0
101.02306	6.8
103.03875	4.0
107.08537	3.1
112.96590	2.0
121.10136	17.6
123.04448	2.8
125.02303	2.3
125.09614	6.1
135.04404	7.6
136.59633	2.0
137.09607	8.2
155.10643	4.7
160.95622	2.2
161.04466	6.1
163.11174	5.5
171.10243	2.6
179.03427	7.2
185.11746	6.1
187.33075	2.3
191.14291	4.2
199.09756	2.3
209.11720	3.9
245.19101	14.6
261.18481	4.1
263.16617	2.6
263.19998	2.7
289.18112	37.0
307.10767	17.5
307.19156	100.0
308.19379	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	307.228
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
55.76967	0.6
59.01244	1.7
67.27210	0.6
71.01260	0.9
71.45157	0.7
96.95874	1.3
135.04433	0.8
161.04417	0.9
197.41689	0.6
231.70964	0.6
248.19218	0.7
307.22787	100.0
308.23129	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	309.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92874	1.3
59.01250	28.1
70.40881	2.9
70.41248	2.8
70.90733	1.2
71.01255	33.4
85.02837	1.5
89.02302	2.7
89.03857	3.7
92.85542	1.5
97.02831	3.1
99.00758	3.6
101.02316	1.5
106.79864	1.5
115.00252	8.3
117.03368	10.2
133.01314	3.3
134.03638	100.0
135.03964	3.2
141.01849	2.5
149.06033	7.6
178.02649	6.4
193.05006	97.5
194.05305	5.7
334.89841	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.8
57.52683	0.6
58.99481	0.6
59.01252	18.3
69.03314	4.0
71.01254	6.0
72.99179	0.7
73.02814	2.0
75.00751	2.8
81.03352	0.7
81.78883	0.7
85.02824	1.7
87.04387	0.9
89.02323	5.0
93.51904	0.8
97.02847	6.3
99.00764	3.1
101.02312	1.2
134.03607	0.7
139.81746	0.7
141.01816	5.6
145.02841	2.0
147.06474	1.0
161.13258	0.9
163.69032	0.7
193.06375	0.7
195.08066	4.3
205.06541	0.9
205.12305	1.8
206.07304	2.5
207.08112	7.2
209.06012	4.6
216.60361	0.8
222.06851	2.3
223.07597	12.5
224.08003	1.3
234.06917	2.2
235.07610	4.9
237.09254	1.1
238.09985	2.7
249.09570	1.0
250.06316	3.7
251.07120	66.8
252.07426	4.1
261.05499	1.4
262.06259	2.1
263.07144	9.5
264.07901	5.1
265.08688	2.1
266.09491	5.5
277.08740	1.9
278.06070	1.5
278.09497	5.7
279.06625	100.0
280.06992	7.7
287.82632	0.8
291.07236	3.2
291.19559	0.9
293.08200	25.0
294.08975	70.0
295.09299	6.6
309.08331	2.2
309.11331	42.8
309.17130	1.3
309.20438	1.2
310.11768	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70417	0.4
57.72177	0.4
59.01253	4.1
69.03330	0.6
71.01265	2.0
80.30391	0.4
85.23185	0.4
89.02329	1.2
89.63298	0.4
96.95847	0.6
97.02834	1.6
98.20648	0.8
99.00774	0.5
101.02334	0.8
102.33711	0.5
124.87764	0.4
136.56245	0.5
141.01817	0.6
145.02867	2.0
146.48137	0.4
149.06042	0.6
152.99905	0.5
156.68227	0.4
161.04533	0.4
192.81689	0.4
193.06525	0.6
194.27718	0.4
195.08076	3.8
205.06514	1.0
206.07291	2.6
207.08083	6.4
208.08463	0.5
209.06013	3.4
221.06081	0.6
222.06804	1.9
223.07599	10.6
224.04802	0.8
224.07915	1.1
233.06161	0.7
234.06818	2.4
235.07645	4.5
237.09137	1.0
238.09991	3.3
250.06322	2.8
251.07111	58.8
252.07420	4.0
261.05548	1.1
262.06238	2.6
263.07126	7.9
264.07828	4.4
265.08575	2.3
266.09436	5.1
277.08661	3.1
278.05963	1.9
278.09485	5.4
279.06619	100.0
280.06924	8.0
291.07257	0.6
293.08203	28.2
294.08969	65.3
295.09329	5.6
309.08408	1.6
309.11316	40.2
310.11691	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	309.1133
Annotation	Harringtonolide
Peak:m/z	Relative Intensity
54.75901	0.4
59.01252	3.6
64.75774	0.6
71.01257	1.5
73.02816	0.6
74.11643	0.4
96.95882	1.0
101.02320	1.1
113.02264	0.5
117.03363	0.5
122.92294	0.5
129.27863	0.6
145.02872	2.1
147.06535	0.7
149.06007	1.0
195.08066	4.3
206.07323	2.0
207.08095	7.7
208.05257	0.5
209.06017	4.1
221.06104	0.7
222.06799	1.3
223.07590	10.2
224.04733	1.1
224.07799	0.7
233.05946	1.2
234.06830	1.9
235.07579	3.6
237.09219	1.3
238.09938	3.3
249.09627	0.6
250.06311	3.8
251.07124	63.6
252.07457	3.8
262.06339	1.8
263.07123	9.4
264.07874	5.2
265.08633	2.5
266.09500	5.1
277.08652	2.6
278.05814	2.0
278.09467	6.2
279.06625	100.0
280.06989	8.4
291.19580	1.2
293.08206	25.5
294.08972	66.6
295.09320	5.5
309.11319	49.0
309.14999	1.0
309.17096	1.2
309.20453	2.7
310.11621	4.1
322.07181	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1192
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
59.01254	100.0
69.69103	27.8
71.01273	29.5
72.99185	5.4
81.85334	5.0
81.85802	5.8
85.02828	12.7
89.02329	21.2
99.00773	5.8
101.02348	26.6
108.27281	5.4
113.02320	13.1
119.03421	8.9
129.05453	11.1
147.06580	5.9
161.04469	9.6
199.69075	5.1
213.51974	5.3
309.11920	55.2
309.20523	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.71681	1.0
69.69946	4.5
69.70365	2.4
71.01250	5.0
72.03673	1.0
82.07930	1.2
85.02818	3.9
96.95879	2.7
97.02935	1.3
98.19749	1.2
101.02332	3.3
134.03583	5.0
142.83353	1.2
169.57574	1.1
193.05003	6.7
209.15544	1.2
224.86098	1.2
240.46185	1.2
249.13466	2.2
304.51355	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
50.90270	0.6
51.10407	0.7
57.03327	1.3
59.01249	3.8
71.01266	1.2
71.09506	1.6
73.02819	1.1
83.04902	0.9
85.02831	1.2
93.03090	0.6
97.02853	0.9
97.06484	1.9
121.10131	0.7
123.08027	2.1
125.05946	0.9
125.09623	6.1
127.11163	1.3
137.09647	2.1
139.11232	1.1
141.09079	3.2
141.12764	1.3
151.03922	1.6
151.07507	2.1
152.08348	1.7
153.09094	2.1
155.10658	1.4
155.14391	0.9
163.88132	0.8
171.10179	5.7
181.12326	0.8
183.10161	0.7
183.13820	1.4
184.08321	0.8
185.11803	1.1
197.11800	0.9
199.09679	7.1
200.10492	7.5
201.11241	4.7
209.15404	2.6
213.11372	1.2
229.19518	0.7
247.20634	6.1
265.21729	2.7
273.18576	1.5
281.21274	0.9
289.53879	0.8
291.16312	1.0
291.19650	16.3
292.19962	1.9
309.17383	4.9
309.20703	100.0
310.21030	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
50.45715	1.5
50.59956	1.7
51.58756	1.4
57.03310	5.7
59.01252	20.4
69.03332	2.1
69.27231	7.2
69.27656	8.6
71.01247	8.9
71.04892	31.7
73.02776	2.9
85.02828	2.8
89.02301	2.2
93.03316	2.1
93.06974	1.8
96.95893	16.5
97.06491	11.5
98.20576	3.1
99.00758	2.5
101.02329	4.5
107.04903	2.0
121.10113	6.6
123.07967	2.1
125.09601	6.1
127.11174	2.3
135.08015	2.1
137.09631	36.6
147.06425	2.8
153.08987	2.1
155.08221	1.7
161.04489	2.7
171.10185	83.7
172.10561	5.1
185.11810	15.1
197.11751	3.9
207.13843	2.8
209.15469	3.5
219.13742	3.2
233.15419	3.7
235.17116	3.7
237.14920	5.4
242.15724	1.9
247.20674	4.7
251.16492	28.2
252.17004	2.3
273.18491	2.3
291.19678	100.0
292.19913	9.5
309.17273	6.7
309.20700	89.0
310.21094	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03331	1.6
59.01237	1.7
67.01742	1.6
69.03339	7.5
70.98997	1.0
71.01256	1.2
71.09534	1.2
71.09895	1.7
74.00267	1.1
83.04884	3.0
85.02811	3.8
85.04871	1.0
95.04878	2.1
97.02826	53.9
98.03137	2.5
99.00751	5.5
109.06488	1.3
111.00770	1.4
111.08044	2.7
119.08559	4.0
125.09620	2.6
137.09628	20.7
149.09648	1.1
151.03929	18.1
151.07549	23.3
152.08342	29.8
153.08952	1.6
163.11122	1.5
166.20079	1.2
167.10724	1.3
171.10185	35.8
172.10524	1.8
177.12804	2.1
184.07298	4.6
185.11813	2.6
185.17838	1.3
190.09869	2.9
193.08656	1.8
193.12296	1.4
195.13779	3.9
201.11264	1.4
203.87825	1.2
208.10883	3.0
209.15408	46.2
210.15767	2.6
211.13306	2.8
221.11818	5.9
225.93436	1.2
239.12878	6.9
247.16937	2.7
247.20555	1.4
252.09959	7.7
263.20313	1.2
265.18091	8.9
273.18640	5.1
291.16260	3.0
291.19629	28.6
292.20047	1.8
294.89053	1.0
309.17035	82.3
309.20694	100.0
310.17386	5.4
310.20972	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	309.2074
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03315	1.5
57.97433	1.2
59.01253	14.9
67.01755	1.6
70.09921	1.3
71.01263	4.5
84.05970	1.3
85.02825	1.4
89.02319	2.3
96.95885	28.4
97.06463	2.2
99.00745	1.9
101.02337	3.7
103.68851	1.2
111.08045	5.2
121.10130	10.5
123.08042	1.2
125.09631	8.9
137.09647	7.9
147.06537	1.4
167.14281	1.6
171.10184	13.8
185.11754	11.0
197.11772	5.4
209.15295	2.1
211.13341	60.5
212.13675	4.0
247.20547	1.8
273.18604	2.6
291.19669	100.0
292.20038	9.5
309.13718	5.5
309.17160	4.9
309.20517	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	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.26598	1.0
56.78600	1.0
57.03326	2.5
59.01253	3.9
69.03328	5.0
71.04874	1.5
71.07471	1.0
71.09445	2.5
72.30064	1.1
83.04906	2.7
84.02068	1.6
97.02838	22.6
97.06487	2.7
107.04889	1.0
109.06475	2.1
111.08062	2.0
119.08588	1.9
119.71590	1.0
123.04428	1.3
123.08012	1.5
125.09604	4.7
135.07977	1.2
137.09636	3.5
147.80699	1.2
163.11191	5.2
165.12813	9.4
171.10165	14.8
179.14252	2.6
181.12228	1.5
183.13800	1.5
187.64970	1.0
193.12326	6.0
193.15901	1.8
195.13885	3.1
197.11821	2.5
207.10251	1.0
209.11777	4.9
211.13335	3.5
221.15450	2.4
223.13409	3.7
227.12837	8.0
247.20638	9.9
249.16808	1.0
273.18747	3.7
291.19681	100.0
292.20059	10.0
309.20724	60.8
310.21008	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	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03315	4.2
59.01247	19.4
64.71558	1.9
65.46197	2.0
67.01749	2.8
71.01244	4.7
71.04867	3.0
71.09365	2.2
80.02529	7.6
81.03312	5.4
83.04900	27.3
84.02047	11.2
85.02799	2.9
93.04346	2.0
96.95884	7.9
97.02807	3.0
97.06444	4.3
99.00739	3.6
99.08047	10.1
101.02341	2.9
109.06483	3.4
115.07552	3.7
123.04375	2.7
123.08061	2.1
125.09618	6.8
127.11179	4.2
137.09628	44.0
139.11182	9.9
151.03885	8.0
151.07527	11.9
151.11211	4.0
152.08321	4.9
153.09161	11.7
155.10684	60.1
165.12709	2.9
167.10672	2.8
171.10196	50.8
172.10649	2.3
181.12177	2.3
193.12283	30.6
197.11768	2.9
209.11716	7.2
209.15434	17.8
210.15714	2.4
211.13310	6.1
221.15437	2.2
236.51311	2.2
247.20628	8.6
263.19998	5.5
265.18393	3.2
265.21744	10.1
265.30832	2.4
268.93582	2.4
277.15820	2.0
281.21390	3.7
291.19656	100.0
292.19980	8.7
307.37506	2.1
309.17044	32.5
309.20694	83.5
310.21115	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
57.03332	1.5
58.00463	1.4
59.01245	3.5
69.03333	1.0
70.02552	1.1
70.29871	2.3
70.30265	2.1
71.01263	1.2
96.95908	1.1
97.93111	1.1
98.20506	1.3
99.11092	1.1
111.08040	31.1
115.57357	1.2
127.07501	3.2
137.09656	1.5
145.36603	1.6
151.03989	1.5
151.07600	2.4
151.11247	2.2
152.08324	2.8
153.12836	1.5
169.12271	8.2
171.10223	4.0
179.10881	1.2
181.12294	2.4
183.13783	1.3
197.11772	100.0
198.12067	4.1
199.13321	5.1
204.21468	1.3
209.15407	3.8
211.10043	1.2
211.13315	11.1
227.12845	2.0
263.20160	4.8
265.18130	3.7
273.18488	2.9
291.19632	17.8
309.17078	7.6
309.20724	34.1
310.21011	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	309.2072
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.96888	1.7
56.24610	1.7
57.03312	2.1
59.01232	4.5
69.03341	9.4
71.45305	1.6
71.45684	2.3
83.04865	1.8
103.22518	1.7
106.09872	1.7
107.08573	2.0
108.05685	2.9
109.06468	2.5
111.08048	36.1
119.08558	16.9
125.09625	2.3
135.08049	4.7
137.09618	55.0
138.09941	3.1
147.25403	1.8
151.07547	3.9
152.08330	3.1
165.12807	1.9
167.10657	1.8
169.12247	6.3
171.10182	77.2
172.10526	3.7
181.12199	2.6
183.13918	2.0
185.11743	2.6
197.11769	100.0
198.12050	6.3
198.47530	1.9
199.13358	4.7
201.11259	10.6
209.15308	8.2
211.13347	8.6
215.87086	1.7
225.14926	3.5
227.12787	3.7
229.60930	2.4
251.16479	4.2
263.20187	4.6
265.18018	2.3
273.18597	8.3
291.19669	29.5
292.19958	2.9
309.17062	9.4
309.20712	51.5
310.20999	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	309.2437
Annotation	Litsenolide C1
Peak:m/z	Relative Intensity
54.51542	0.5
54.85943	0.5
59.01252	1.0
60.46415	0.5
71.53608	0.8
79.95611	1.3
81.52925	0.6
96.95897	6.6
101.63605	0.6
111.36310	0.6
112.46452	0.5
125.02341	1.3
126.03162	1.4
152.08342	0.8
158.02094	1.8
183.43141	0.6
209.15491	1.2
225.74362	0.6
231.79955	0.6
309.17459	8.2
309.24350	100.0
310.24686	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	311.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.9
59.01253	14.0
62.13969	0.9
67.06319	0.8
69.90331	4.2
71.01269	3.7
71.10947	0.7
72.99180	4.3
75.00749	44.2
78.09286	1.0
83.01279	0.9
85.02837	3.5
87.00774	2.4
89.02303	1.7
93.45876	0.8
96.95896	1.1
99.00745	1.7
101.02323	1.2
102.39980	0.8
117.01926	0.9
117.03345	1.2
119.04919	44.4
120.05268	1.5
120.11947	0.8
129.01839	13.2
134.03629	2.2
139.55801	0.7
141.81291	0.8
147.02896	7.7
163.03929	62.6
164.04279	2.5
165.03969	100.0
166.04247	2.7
184.42767	0.8
193.04927	1.5
265.58783	0.8
311.07700	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	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.7
59.01254	7.5
67.28899	1.3
69.55468	3.2
69.55891	4.9
71.01242	2.5
72.99190	3.1
75.00750	34.2
85.02847	2.7
87.00734	1.6
97.06967	1.3
101.85574	1.2
102.88998	1.3
103.11702	1.2
105.85264	1.3
119.04926	62.3
120.05270	1.6
129.01805	9.2
145.02840	1.7
147.02904	12.5
163.03926	100.0
164.04314	3.0
165.03970	96.0
166.04291	2.6
311.07751	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	311.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34416	0.3
59.01254	9.2
59.65350	0.3
70.87323	0.4
70.87655	0.8
71.01259	1.3
75.00741	2.1
85.02866	0.4
89.02338	1.2
89.03851	2.6
92.75145	0.3
95.83222	0.4
101.02328	0.8
106.04137	0.6
106.55389	0.3
117.03357	10.7
118.03714	0.7
128.77930	0.4
129.23367	0.3
134.03641	100.0
135.02895	9.9
135.03963	3.4
139.07625	0.3
149.05994	10.5
161.04486	0.7
170.97609	0.4
178.02603	0.5
193.05003	96.4
194.05368	5.0
251.11375	0.6
311.07700	0.6
320.39856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39789	4.2
59.01247	100.0
71.01253	74.9
71.92545	4.5
73.02820	10.9
80.17985	4.5
83.01266	6.2
85.02822	13.8
87.00758	6.2
89.02312	70.5
100.93494	5.0
101.02333	67.7
113.02352	10.1
119.03374	4.9
131.03392	30.5
149.04434	28.6
168.58447	5.4
179.69420	4.4
191.05556	14.9
211.47327	5.5
256.25293	4.7
273.76706	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	311.0986
Annotation	Vicianose
Peak:m/z	Relative Intensity
59.01254	89.0
59.41779	4.3
71.01257	68.5
71.34375	7.2
73.02837	25.2
80.37096	4.4
85.02824	4.6
89.02318	100.0
99.00769	50.0
101.02334	67.0
113.02352	7.0
131.03407	15.9
143.03400	4.7
149.04480	31.1
161.04497	5.6
179.68529	3.9
191.05620	18.7
196.06859	4.1
204.34050	3.9
278.89807	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	311.0988
Annotation	Vicianose
Peak:m/z	Relative Intensity
57.03317	2.4
57.22237	1.3
58.00461	4.4
59.01258	100.0
66.15646	1.3
69.03336	7.3
70.69354	2.6
70.69689	1.8
71.01263	56.8
72.01597	1.7
72.99181	5.2
73.02825	3.8
75.00748	4.3
83.01266	4.0
85.02835	11.1
87.00758	3.9
89.02332	50.4
95.01261	3.6
96.95918	2.1
99.00826	1.6
99.21785	1.3
101.02335	32.9
101.67797	1.3
108.66697	1.2
113.02345	17.0
114.56343	1.5
119.03402	19.9
131.03424	3.9
138.01149	1.3
141.38600	1.4
143.03415	1.8
149.04457	2.7
150.18872	1.3
161.04501	3.0
179.05569	2.4
239.09598	1.3
251.11395	1.9
253.77118	1.4
311.09885	97.2
312.10236	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	311.0986
Annotation	Vicianose
Peak:m/z	Relative Intensity
55.35151	4.1
58.00462	5.9
59.01252	100.0
69.81996	3.7
71.01256	65.6
71.72460	3.6
72.99181	5.2
73.02822	11.3
83.01271	4.5
85.02828	10.8
87.00737	3.9
89.02317	72.5
99.00739	6.3
101.02335	56.7
113.02333	9.5
119.03392	5.8
131.03395	21.1
149.04480	16.3
149.06081	7.0
167.03482	4.4
185.37474	4.3
191.05562	12.1
198.23479	4.5
225.47359	3.8
238.06412	9.1
251.11380	8.3
283.09680	12.3
296.80063	3.9
311.09363	34.2
311.21936	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	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01242	1.0
58.00492	1.4
59.01252	100.0
69.59422	2.8
69.59834	4.2
71.01252	13.7
73.02818	5.9
74.99742	1.1
83.01258	2.1
85.02831	4.0
89.02327	12.9
90.10581	1.1
91.22298	1.0
98.20541	1.4
99.00765	9.5
101.02332	13.6
113.02326	3.7
117.03353	2.5
125.02351	1.1
131.03406	3.5
134.03635	17.0
135.02896	1.7
135.58173	1.1
149.04471	5.4
149.05989	2.0
149.70245	1.1
159.54660	1.2
161.04518	3.0
185.97420	1.1
191.05554	2.7
193.04979	16.0
207.98151	1.0
223.00626	1.4
269.10223	3.4
273.10849	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.129
Annotation	Stemofuran I
Peak:m/z	Relative Intensity
50.16103	0.6
59.01253	3.8
60.09415	0.6
62.89359	0.6
77.61117	0.6
88.35603	0.6
93.03373	1.8
98.20576	1.2
99.67064	0.6
109.02824	5.6
121.02853	22.7
122.03216	0.9
123.04405	1.2
131.04950	0.7
135.04422	1.5
141.77544	0.6
145.02887	1.7
146.03600	0.8
147.04457	1.7
149.05984	0.7
159.04425	15.0
160.04724	0.8
171.04402	0.9
181.10092	0.9
207.08095	1.5
209.06036	1.3
209.09703	2.0
211.07510	1.4
212.04729	1.0
222.06956	0.9
224.04707	0.7
225.09222	5.7
234.06915	1.0
235.07623	5.8
236.08333	1.7
237.05609	1.3
237.09096	2.7
238.06332	2.3
239.07170	0.6
240.04367	1.6
249.05489	0.8
251.07115	4.7
251.68275	0.6
252.07753	2.2
253.08699	15.5
254.09048	0.9
259.62881	0.9
263.07175	8.4
264.07745	1.7
265.05069	0.9
266.05853	0.9
279.06769	0.9
280.07364	2.1
281.08200	100.0
282.08563	8.0
295.09738	1.2
296.10559	69.7
297.10876	5.9
311.12894	67.1
311.22357	2.2
312.13168	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	311.1288
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
50.20012	0.2
59.01256	2.0
65.00192	0.2
70.92111	0.2
70.92445	0.2
71.01239	0.2
77.03834	1.2
81.03307	0.2
91.64338	0.1
93.03339	2.4
95.01260	1.6
95.04919	1.8
101.02322	0.2
105.03345	0.7
106.80048	0.2
108.02016	0.2
121.02847	12.3
122.03139	0.4
123.04393	0.9
132.02049	1.0
147.04428	0.7
148.01590	0.4
148.05203	1.7
149.02351	100.0
149.05956	6.7
150.02699	3.8
150.06348	0.2
163.07552	0.6
164.04706	13.8
165.05009	0.4
235.07578	0.2
237.09032	0.2
251.11441	0.2
252.07919	0.9
253.08658	0.6
264.07944	0.6
265.08655	0.6
267.10251	1.2
279.10352	0.2
281.08160	0.3
296.10541	30.5
297.10907	2.7
311.12881	26.0
311.22391	0.3
312.13220	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	311.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
63.82335	1.9
69.81526	7.1
69.81933	4.3
71.01266	9.8
73.02841	2.9
77.04989	1.8
77.41055	1.6
84.13001	1.5
85.02830	5.7
89.02308	2.7
98.20561	2.4
101.02322	12.0
113.02334	4.6
139.09631	1.7
161.04529	12.9
185.20554	2.2
187.69753	2.1
205.60223	1.8
251.11330	25.6
309.90939	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47272	13.3
59.01257	100.0
61.14444	13.2
65.98866	13.8
67.14937	14.7
71.52821	14.0
93.69804	13.9
216.00871	14.0
224.93468	14.5
251.11409	16.8
263.74292	16.6
299.64529	13.4
301.27405	13.7
311.22397	23.3
311.29544	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	311.223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.66028	0.6
53.47862	0.6
57.03321	2.5
59.00997	0.7
59.01256	10.1
62.26380	0.7
63.17175	0.6
69.03305	1.2
69.60298	3.2
71.01235	1.1
73.02784	0.8
82.44586	0.6
83.04897	2.1
84.02048	0.6
85.06467	0.7
89.02306	0.7
97.02819	2.8
97.06469	1.0
99.08043	2.1
101.02368	0.8
113.09577	2.5
121.10154	3.1
123.81648	0.6
125.09628	2.2
127.11182	2.1
139.11197	6.9
161.04376	0.8
163.11157	1.1
163.97482	0.6
165.12706	1.6
171.10187	26.8
172.10555	0.9
175.11121	0.8
183.13831	1.2
185.11812	3.3
193.12289	16.2
193.91107	0.6
194.12648	1.0
195.13892	0.9
197.11803	1.1
201.11279	2.3
209.11742	0.9
211.13385	7.3
240.72470	0.6
249.22244	1.8
251.11397	1.6
254.00099	0.8
254.62323	0.6
275.20154	1.0
293.21225	23.6
293.24515	1.3
294.21579	1.7
311.22284	100.0
312.22653	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	311.2229
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.00046	0.6
57.03323	2.2
59.01256	9.3
70.86524	1.4
70.86863	0.8
71.01254	1.1
79.05405	0.6
97.02825	0.7
97.06461	1.5
101.02322	1.0
109.06523	0.6
113.09631	6.4
121.10104	2.7
123.08045	0.9
125.09599	2.1
127.11180	1.6
132.55518	0.6
137.09619	1.1
139.11192	26.0
140.11511	0.9
149.09634	0.9
153.12740	0.9
155.10684	1.9
171.10191	45.6
172.10408	1.7
176.37857	0.7
183.10248	0.9
185.11823	3.2
193.12326	2.1
197.11684	0.9
201.11269	2.1
211.13371	4.5
249.22273	2.0
275.20145	2.9
293.21243	30.7
294.21600	2.1
311.22278	100.0
312.22659	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.07094	1.0
57.03314	2.2
59.01254	9.8
71.02144	1.9
83.04950	1.0
111.68935	1.0
113.02347	1.2
121.10144	3.2
125.09634	3.2
127.11170	6.4
137.09569	1.2
139.11186	19.1
141.12680	1.1
151.11200	1.5
153.06189	1.1
155.10701	4.8
165.09172	1.4
171.10182	89.0
172.10522	3.8
183.01100	1.2
183.10176	8.4
185.11746	21.9
193.12309	2.0
201.11246	12.3
202.11584	1.2
211.13252	1.6
251.11412	1.4
266.92316	1.0
275.20120	8.8
293.21237	30.8
294.21558	2.3
300.68051	1.0
311.22287	100.0
312.22607	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	311.2228
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
51.19248	0.6
52.66613	0.6
53.23903	0.6
56.28109	0.7
57.03310	2.4
58.00461	0.8
59.01254	9.3
63.13235	0.7
71.33857	1.2
99.08085	1.5
101.02306	0.8
111.08007	0.8
113.09622	1.4
121.10101	1.5
123.07246	0.7
123.08054	1.4
125.09624	2.6
127.11201	4.5
129.09084	2.3
137.09570	1.3
139.11194	11.5
151.11154	1.1
155.10701	2.9
161.04427	1.3
165.09166	0.9
167.10684	1.0
171.10188	57.0
172.10545	1.6
181.12259	1.2
183.01093	0.8
183.10130	3.5
183.13724	0.9
184.52013	0.9
185.11780	8.0
187.09509	0.8
197.11728	2.6
199.13348	2.0
201.11264	10.5
211.13322	6.2
251.11392	1.3
265.21722	1.5
275.20166	4.5
293.21228	17.4
311.22281	100.0
312.22672	8.7
321.97998	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03332	1.0
59.01253	10.9
59.53760	0.6
59.59285	0.5
61.24249	0.5
67.24690	0.6
70.10445	1.5
71.01255	1.1
80.38189	0.5
88.90495	0.5
91.23120	0.5
97.06464	0.6
101.69304	0.5
103.73152	0.5
125.06024	0.6
125.09611	3.3
139.11157	1.3
141.09123	1.5
141.12762	0.8
142.63785	0.5
143.10703	0.8
149.02315	0.8
153.09106	1.4
155.14293	1.8
157.12178	0.7
161.04439	1.2
167.10725	0.9
171.10155	2.7
183.01126	2.3
185.11763	1.0
199.09657	1.2
200.10448	2.8
249.22211	4.4
251.11328	1.7
263.40002	0.5
265.21609	1.1
266.22241	0.7
267.23306	3.3
275.20166	0.9
283.22702	0.7
293.21210	8.6
294.21527	0.7
311.16623	3.1
311.22281	100.0
312.22574	8.2
312.25714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01246	0.4
69.34023	1.1
69.34448	1.2
92.64639	0.3
92.66779	0.3
93.03333	0.4
96.37041	0.2
98.20591	0.6
103.64011	0.3
103.86111	0.3
115.84454	0.3
121.02846	100.0
122.03184	2.8
180.05762	1.3
181.06531	4.5
224.11169	0.3
225.05530	6.0
226.05864	0.5
269.08170	0.3
283.08871	0.4
298.11285	0.5
298.95593	0.3
313.07190	14.2
314.07510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03350	2.9
57.06519	2.1
58.00463	5.3
59.00950	5.2
59.01253	100.0
59.12162	2.2
64.97954	2.2
67.67519	2.1
71.01257	60.8
71.48557	2.1
71.53396	2.8
72.99191	7.0
73.02812	3.0
83.01262	3.2
85.02827	16.4
87.00729	3.1
89.02312	62.9
89.38010	2.3
95.01271	5.3
101.02341	37.2
107.04925	18.8
113.02336	21.0
119.03410	24.8
123.04418	3.1
125.02327	2.4
150.03195	2.7
151.03934	11.3
161.04463	2.9
181.31981	2.9
195.98856	2.3
313.09473	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	313.1082
Annotation	6,3',4'-Trimethoxyflavanone
Peak:m/z	Relative Intensity
57.78151	0.6
58.14634	0.5
59.01232	2.3
66.31763	0.7
71.01249	1.0
71.02203	1.0
71.02525	0.9
73.41122	0.7
89.02296	0.9
89.80201	0.6
94.92439	0.7
97.61960	0.5
109.02820	2.7
121.02891	0.8
133.02835	0.7
134.03584	4.6
136.01572	1.8
137.02347	41.4
138.02657	1.2
145.02850	6.8
149.05971	1.8
161.02376	1.4
162.03162	4.1
174.03116	3.5
177.05420	0.7
199.07431	0.8
209.06055	1.5
213.05484	1.0
221.06102	0.6
227.07059	2.1
237.05563	7.2
238.06145	1.0
238.67656	0.8
240.04320	1.2
254.05856	3.8
255.02831	0.8
255.06647	6.4
256.06989	0.8
265.05060	20.6
266.05679	5.0
269.08237	1.8
279.06631	3.2
280.07324	1.9
281.04630	1.2
282.05325	9.1
283.06116	62.8
284.06454	5.6
297.07672	10.0
298.08447	45.1
299.08771	3.3
301.48871	0.7
313.10818	100.0
313.23599	3.5
314.11148	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2384
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
56.53209	0.5
59.01252	1.5
71.01258	0.8
71.49886	1.0
80.40498	0.5
89.02308	1.2
101.02299	0.6
121.02794	0.8
151.05983	0.6
183.01199	0.6
184.01399	0.7
185.00647	3.9
186.10799	0.6
231.47310	0.6
249.22208	1.1
251.23779	67.1
252.24109	6.1
269.24860	1.2
295.22781	26.3
296.23199	2.3
313.07288	1.1
313.16696	7.6
313.23856	100.0
314.16861	0.8
314.24213	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
57.03293	0.4
59.01250	3.3
71.01248	1.6
73.02817	0.6
77.81618	0.4
82.33775	0.4
89.02315	0.8
93.03286	0.5
96.95866	0.5
97.06493	0.4
101.02373	0.4
108.02061	0.5
109.02828	1.1
119.03373	0.5
119.04855	0.6
121.02850	3.5
123.04402	0.6
125.09612	1.1
127.11210	1.0
137.02347	0.7
138.86302	0.4
139.11172	1.0
141.12738	0.7
145.02838	0.8
148.01556	0.8
151.03888	0.9
155.10703	2.7
161.44872	0.4
163.03935	2.1
171.10162	4.8
199.13306	1.6
209.05843	0.5
213.05376	0.6
223.20584	1.2
227.07080	0.9
232.00903	0.5
237.05611	0.9
239.07088	1.0
240.04239	1.2
253.09216	0.6
253.21620	1.0
254.05801	0.5
254.09445	0.6
255.06535	2.1
265.05133	0.8
266.05438	0.5
267.23367	1.0
268.03534	0.4
268.07401	0.6
269.24936	0.4
282.24576	0.8
283.02792	0.5
283.06091	6.6
283.09692	1.3
284.06665	0.7
293.21375	0.4
295.22833	5.4
297.07578	0.5
298.05096	0.8
298.08429	4.3
298.11694	0.6
299.09003	0.8
311.22385	1.2
313.03632	0.8
313.07211	1.4
313.10818	10.5
313.14410	2.1
313.23846	100.0
314.11179	2.1
314.15033	1.4
314.20801	0.9
314.24197	9.2
314.27475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24312	0.5
65.99300	0.5
68.81988	0.6
69.88850	0.4
71.10928	0.5
71.11258	0.8
108.02119	0.5
122.03619	0.7
123.04406	68.1
124.04728	2.6
135.04369	0.7
153.05478	100.0
154.05807	4.6
176.48242	0.5
238.10315	0.5
315.10852	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	315.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76509	0.3
59.01255	1.3
70.40115	0.7
71.01240	0.8
84.34576	0.4
95.04930	0.5
101.31023	0.3
108.99153	0.4
112.10542	0.3
122.03644	0.7
123.04411	65.1
124.04735	2.2
135.04449	0.8
145.26181	0.3
151.60683	0.3
153.05482	100.0
154.05817	4.1
163.93210	0.3
213.63741	0.4
269.41129	0.4
315.10870	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	315.109
Annotation	Taxicatin
Peak:m/z	Relative Intensity
59.01258	0.7
71.01267	0.9
71.16899	0.7
72.97440	0.5
75.11826	0.4
81.03345	0.4
89.02359	0.5
93.03354	0.7
95.04902	0.7
108.02064	6.1
109.02848	3.3
110.14027	0.5
122.03631	0.6
123.04425	79.7
124.04780	2.1
135.04431	0.8
143.87694	0.4
152.01073	3.7
153.01961	4.1
153.05498	100.0
154.05826	3.7
206.64531	0.4
301.29388	0.4
315.07275	5.1
315.10971	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	315.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42844	0.6
55.49273	0.6
65.05549	0.5
70.82127	1.4
73.65335	0.6
76.67555	0.6
82.05743	0.6
95.04908	0.7
122.03601	0.9
123.04414	90.2
124.04766	2.8
127.41691	0.6
153.05487	100.0
154.05840	4.6
161.54482	0.7
218.78406	0.6
315.10931	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	315.16
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
56.93945	1.0
59.01236	2.3
64.88119	0.9
69.34454	3.3
69.34882	4.0
72.55553	1.1
83.04903	1.1
93.68096	0.9
119.04916	1.1
123.04424	10.3
125.14807	0.9
127.94944	0.9
133.02855	1.2
136.01578	2.3
138.03113	1.3
145.02840	2.4
151.03914	2.8
153.05496	16.1
161.02342	5.1
162.03146	9.1
163.03891	3.7
165.01831	1.7
171.08043	2.9
174.03120	1.4
175.03879	4.0
186.03072	1.1
191.03409	1.3
199.03923	2.4
200.04736	3.1
201.05525	4.0
202.06339	2.6
213.05495	2.0
215.07092	36.2
216.07782	7.6
217.08347	1.7
229.08667	14.9
231.06566	1.9
231.10268	1.7
256.14523	1.1
283.13419	6.5
285.07791	2.6
285.11206	1.4
299.13074	1.9
300.10632	1.2
300.13666	30.3
301.14130	2.8
315.05093	2.8
315.15994	100.0
315.25488	3.0
316.16211	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	315.1601
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
59.01243	2.1
64.08144	1.2
70.02766	3.7
82.69117	1.1
82.69733	1.0
100.65133	1.1
117.03380	0.9
123.04425	6.0
135.04443	1.3
143.08598	1.3
144.05742	1.0
145.02847	2.3
148.01633	0.9
149.02345	1.4
152.26233	0.9
153.05482	6.2
159.08031	2.0
161.02342	7.5
162.03185	6.8
163.00237	1.7
163.03845	1.5
165.01808	2.7
165.67143	1.0
170.07204	1.7
171.08041	1.4
172.05156	1.5
187.07520	1.9
188.04765	1.1
189.01872	3.2
191.03433	3.5
200.04724	1.5
201.05487	4.4
202.06273	2.9
203.06998	2.4
213.05521	3.5
214.06229	1.0
215.07079	21.9
216.07811	7.6
230.05901	1.3
231.06618	13.5
232.06935	1.2
241.08504	1.6
245.08115	2.0
256.14648	2.6
269.21332	1.2
283.10745	1.2
283.13245	5.8
285.07867	1.6
299.12720	1.1
300.10318	1.8
300.13651	21.7
301.14020	2.0
315.05048	2.8
315.15997	100.0
315.21909	5.0
316.16357	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	315.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09328	3.1
56.29303	2.9
70.14629	11.6
83.04915	3.7
110.87849	3.0
118.14901	3.9
123.04428	27.2
135.04425	9.9
141.47983	3.3
153.05490	36.9
161.02350	9.3
162.03146	94.6
169.06499	4.6
172.97800	3.1
175.03955	6.3
177.05475	35.9
185.06001	9.7
187.07574	38.8
187.55557	4.0
202.09985	10.5
213.05536	6.0
217.05072	9.8
231.06633	30.5
234.08954	3.8
256.14664	22.1
271.16934	7.3
300.02625	5.4
300.13516	18.3
310.91162	3.6
315.05029	6.7
315.16010	100.0
315.25336	5.1
316.16318	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	315.1603
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
50.22111	1.0
56.17757	1.1
59.01244	3.1
70.03101	4.8
71.88163	1.0
71.90649	1.1
72.94139	1.4
87.04384	2.2
97.13194	1.0
119.04968	1.2
123.04420	11.7
133.02866	3.6
135.04417	1.3
137.02397	1.2
138.03143	1.3
142.49606	1.3
145.02861	2.7
145.06410	1.3
149.02309	1.5
153.05476	17.4
161.02345	10.9
161.05983	1.6
162.03142	39.6
163.00302	1.5
163.03619	1.2
165.01871	1.3
173.02359	15.0
174.03098	3.3
175.03932	12.2
177.05510	9.6
188.04703	3.0
189.05479	3.9
191.03467	1.5
201.05551	1.6
201.30063	1.1
203.07076	1.5
213.05566	4.6
214.06076	1.2
215.07010	1.8
216.56358	1.2
217.05013	13.2
218.05502	2.7
229.08543	1.6
231.06607	19.0
232.07010	1.7
233.15414	1.4
283.13419	2.6
285.11316	4.5
299.12915	2.3
300.02814	2.9
300.13663	34.6
301.14139	1.3
315.05051	2.9
315.16028	100.0
315.25476	3.2
316.16364	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	317.0302
Annotation	Myricetin
Peak:m/z	Relative Intensity
63.02258	5.2
65.00195	14.3
66.14282	4.3
67.01761	6.4
68.99690	4.5
71.01251	10.6
71.06794	3.6
74.44460	4.1
76.97999	4.1
79.01764	7.0
80.12682	4.0
83.01263	20.4
91.01764	10.9
93.03325	31.8
95.01273	29.4
97.02853	6.8
98.19765	7.1
99.00751	35.6
107.01250	24.8
108.02085	4.3
109.02840	39.2
111.00780	40.9
117.03362	23.8
119.04968	6.7
121.02868	10.6
123.00790	46.7
124.01585	9.5
125.02341	21.7
133.02884	6.9
135.00771	26.2
135.04396	6.5
137.02310	15.2
139.00287	30.1
141.01814	21.0
143.04903	4.9
145.02866	8.0
149.99519	10.4
151.00278	61.4
151.85693	3.9
152.00859	4.6
153.01826	27.5
159.04405	17.1
161.02353	16.0
163.00336	21.7
163.03836	4.4
166.99780	39.3
168.00536	9.1
169.01363	8.1
171.04416	7.5
173.05992	6.7
175.03886	9.3
177.98952	9.5
178.99782	66.8
183.04504	5.7
187.03946	13.1
189.01868	11.9
190.99771	15.9
194.99290	24.6
199.03960	8.3
201.05496	21.3
203.03456	15.1
205.04880	4.0
206.99246	9.0
207.99812	4.1
212.63818	4.3
215.03488	5.9
217.01395	4.1
217.04913	5.1
219.02988	4.1
222.98814	6.5
227.03455	17.8
229.04961	16.6
231.02960	38.1
243.02919	9.9
245.04536	11.8
255.02953	13.0
271.02496	17.8
273.04041	15.7
273.06958	4.6
289.03543	22.8
294.80008	4.0
299.01865	23.2
299.10431	4.8
317.03009	100.0
317.10983	8.0
318.03458	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	317.1032
Annotation	Catechin 7,4'-dimethyl ether
Peak:m/z	Relative Intensity
69.03326	0.6
69.20957	0.7
69.67291	2.8
83.01229	1.7
93.03336	1.5
94.31637	0.8
95.01257	1.2
96.95878	0.7
101.24948	0.7
108.02060	12.3
109.02824	3.0
117.03382	0.7
121.02811	4.1
122.03637	10.3
123.00799	0.9
123.04436	10.4
124.01559	3.5
125.02349	1.1
136.01555	2.9
136.05205	1.2
136.80394	0.6
137.02348	41.3
138.03146	19.4
139.03943	5.3
145.02826	1.5
148.01572	4.0
149.02364	5.0
150.03172	3.7
151.03943	4.8
152.04710	5.7
153.05498	3.6
154.02591	1.6
161.01059	1.4
161.02354	19.0
162.03001	2.4
163.00229	4.0
163.03932	1.0
164.01065	16.3
164.04601	0.9
165.01855	18.3
165.05452	2.2
166.02499	0.8
178.02670	4.5
179.03427	20.4
180.04164	6.6
181.05005	6.2
192.74036	0.7
193.05098	3.5
198.06712	1.0
199.03946	1.8
200.04718	1.2
202.06343	0.8
213.05435	0.9
225.05457	1.7
226.06241	3.1
227.03386	1.2
228.04263	1.3
241.05009	4.3
241.08707	2.7
242.05811	7.2
243.06418	1.5
249.50642	0.9
257.08273	1.4
269.04510	2.6
270.05353	16.3
271.05673	1.6
285.07690	100.0
286.08014	8.2
292.88846	0.8
302.07932	10.1
317.10300	75.9
318.10638	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	317.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55573	2.6
80.45439	0.8
107.04919	1.6
116.94392	0.8
122.19463	0.7
134.50711	0.7
135.04413	43.4
136.04732	1.7
147.04413	1.4
159.04395	1.7
160.05150	1.9
171.07976	1.1
173.05846	0.8
174.06783	14.9
175.07556	3.8
189.09102	3.5
197.26724	0.7
247.91168	0.8
258.16241	100.0
259.16608	7.3
272.50204	0.8
273.18616	27.1
274.18887	2.8
291.05386	0.9
317.17633	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	319.046
Annotation	Hovenitin III
Peak:m/z	Relative Intensity
57.03313	8.4
59.01247	19.3
64.19289	2.6
65.00190	3.1
67.01748	4.0
69.03329	4.7
69.84074	10.4
69.84490	5.2
71.01250	17.4
72.99182	5.5
73.02846	2.6
74.13085	2.7
76.48434	3.0
79.01764	8.0
81.03328	7.5
83.01237	8.4
84.94896	3.2
85.02805	14.0
87.00755	8.0
87.84024	3.1
89.02311	10.1
93.03349	5.7
94.41138	3.1
95.01242	9.2
96.95863	3.2
97.02835	12.9
99.00778	15.2
101.02296	13.3
106.72535	3.1
108.02072	3.0
109.02835	35.0
111.00759	29.2
113.02322	8.8
113.11724	2.9
119.03408	3.6
119.04897	3.4
121.02820	7.6
123.00742	25.0
123.04411	9.5
124.01516	5.0
125.02332	100.0
126.02660	3.9
127.00265	16.1
135.00841	3.0
135.04428	4.3
137.02351	43.6
139.00296	22.1
139.03893	8.8
141.01828	24.5
145.02779	5.4
146.03542	4.1
147.04424	4.1
149.02321	14.4
151.00270	17.0
151.03897	10.7
152.01056	5.2
153.01839	48.8
154.02600	9.4
154.99745	10.4
159.04414	10.4
161.02394	19.0
161.73688	3.2
163.00323	3.5
163.03818	5.8
164.00943	15.0
165.01846	45.2
166.36176	3.2
167.03375	9.9
169.01353	16.2
169.02606	2.9
173.05905	4.4
174.03113	5.2
174.54033	3.2
175.03915	9.9
177.01819	28.0
179.03439	3.3
180.00604	5.8
181.01315	8.3
182.02077	8.1
183.02921	6.8
183.04398	3.6
187.03880	10.8
189.01846	6.5
190.02641	4.3
190.99850	3.8
191.03444	19.2
193.01321	19.6
201.05470	6.8
203.03398	5.6
203.07112	4.1
205.04958	9.3
211.03925	4.7
214.02580	3.8
215.03349	9.8
217.01357	5.4
219.02942	7.1
229.04924	9.1
231.02934	3.9
233.04532	15.2
247.06093	4.9
255.03001	4.1
257.04453	11.5
273.03955	7.4
275.05542	13.0
291.05255	7.0
301.03555	16.5
319.04590	58.7
319.08054	3.7
319.13867	8.1
320.05035	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	321.0617
Annotation	Leukoefdin
Peak:m/z	Relative Intensity
53.55084	2.8
53.94505	2.8
57.03317	4.0
59.01251	8.5
69.70802	11.1
71.01278	3.5
71.04861	3.0
78.22171	3.2
81.03342	10.1
83.01257	10.7
85.02828	35.2
93.03345	5.2
95.01282	10.4
95.04901	6.7
97.02827	9.1
99.00768	8.7
103.40175	2.5
103.47916	2.8
108.02061	6.0
109.02837	72.3
110.00076	2.9
111.00773	46.4
112.01075	2.8
113.02321	4.6
113.05985	3.7
121.02868	13.8
123.00776	16.3
123.04420	23.8
124.01529	7.1
125.02343	79.5
127.00281	4.1
127.03904	4.4
130.56752	2.8
134.03683	6.3
135.04448	7.4
136.01569	4.0
137.02354	45.4
137.21481	3.2
139.00276	46.5
139.03926	10.8
140.00999	3.5
141.01823	27.2
147.04427	6.6
149.02362	48.9
150.03038	5.7
151.03929	8.3
153.01845	100.0
154.02188	4.1
154.99779	28.5
159.04482	3.6
161.02417	14.2
161.05959	5.3
163.03925	9.2
164.01059	4.5
165.01837	14.1
166.02493	4.0
167.03398	18.3
173.06012	4.1
174.03261	3.7
175.03987	20.1
177.01888	21.1
177.05585	3.0
179.03416	6.7
181.01372	8.0
181.04990	16.1
183.02905	5.8
188.04729	4.4
189.05501	8.7
191.03535	4.9
193.04860	5.2
195.02893	5.6
199.04128	5.9
203.03490	8.1
205.04980	6.6
213.05530	4.4
215.07127	3.6
217.04987	21.4
231.06654	5.9
233.04526	6.8
235.06020	4.6
241.05048	9.3
247.09673	3.3
259.06064	12.9
259.61707	3.0
261.04138	3.1
262.44281	3.0
275.05576	5.6
277.07397	4.4
285.04099	12.8
303.05084	29.1
304.05368	4.1
321.06131	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0617
Annotation	Leukoefdin
Peak:m/z	Relative Intensity
53.38072	5.5
59.01261	16.7
61.49128	5.8
67.01777	11.7
69.03342	6.4
70.86731	15.4
71.01255	15.3
72.99172	5.2
75.17992	5.0
81.03333	11.2
81.97485	5.8
83.01265	15.5
85.02827	30.7
93.03347	10.1
95.01286	10.3
95.04900	11.1
97.02835	13.9
99.00777	14.8
99.04343	6.0
109.02832	89.5
110.03168	5.9
111.00760	58.1
113.02331	7.0
121.02858	17.2
123.00761	12.8
123.04439	22.5
124.01577	7.3
125.02351	84.6
127.00284	8.2
131.59052	5.5
135.04393	8.7
137.02359	50.0
139.00275	42.7
139.03957	13.0
141.01878	36.2
147.04376	6.5
149.02382	51.2
150.03090	6.4
151.03900	11.3
153.01863	100.0
154.99750	22.3
158.03561	5.3
161.02350	19.1
161.06056	5.6
165.01863	12.8
167.03435	9.4
173.02272	8.9
173.05925	9.6
175.03917	16.9
177.01863	13.2
181.04971	9.7
187.03935	9.1
189.05527	9.7
191.03458	5.6
195.03001	7.0
199.03767	7.7
203.03539	7.1
205.04996	7.7
213.05530	6.3
217.05009	22.2
217.41008	6.0
231.02832	7.0
241.05180	7.7
246.85895	6.7
259.06119	9.2
285.04028	15.6
303.05099	20.6
321.06183	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13898	0.6
53.58220	0.6
55.01753	0.6
55.69380	0.5
57.03324	1.3
58.00453	2.7
59.01252	63.5
60.01566	0.7
70.34540	2.1
71.01256	38.7
72.01589	0.7
72.99178	4.2
73.02818	1.2
74.27609	0.7
81.42229	0.5
83.01260	2.8
85.02341	0.9
85.02824	11.4
87.00761	2.3
89.02315	45.1
95.01273	2.3
99.00762	0.8
101.02322	32.8
108.81213	0.5
111.00759	1.1
113.02337	14.7
113.09584	1.5
119.03390	24.5
129.01834	1.4
131.03400	1.4
141.09108	15.1
143.03432	2.1
144.75644	0.5
149.04468	0.8
159.10126	5.2
161.04463	1.1
179.05525	1.4
321.15540	100.0
322.15869	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	323.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00472	2.4
58.44104	1.3
59.01250	43.7
68.33247	1.2
69.41782	6.4
71.01250	12.3
72.90613	1.1
72.99181	4.6
73.02848	1.5
87.00772	1.6
89.02325	7.5
101.02308	8.4
112.60161	1.4
113.02399	1.4
115.55608	1.2
129.52948	1.3
135.04388	1.5
160.06334	14.2
161.04420	3.0
161.07121	62.9
162.07484	2.2
173.06906	1.2
175.00247	1.2
175.08694	49.1
176.09058	2.5
179.03462	3.3
187.08742	1.2
189.06630	100.0
190.06976	5.0
203.08195	35.8
204.08563	2.5
229.09822	1.6
323.09180	2.1
323.12552	24.3
324.12845	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
59.01257	100.0
71.01260	7.9
73.02822	1.6
73.13469	1.3
85.02841	2.3
89.02319	3.9
101.02337	3.5
113.02322	3.2
136.59772	1.2
161.04472	5.5
209.01762	1.3
263.11334	3.0
323.09763	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2228
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
56.06338	0.5
59.00991	0.7
59.01255	9.5
65.54130	0.6
66.08931	0.6
70.21869	2.0
71.01253	4.3
79.53892	0.6
85.02837	2.0
87.00783	0.7
89.02338	1.5
92.27705	0.7
100.35491	0.6
101.02329	1.9
113.02335	3.7
116.58145	0.6
121.00178	0.6
123.04439	1.3
137.05971	1.2
137.09550	0.7
156.04279	1.2
161.04462	2.1
165.09142	1.8
165.12749	1.7
189.12720	0.8
207.13820	0.9
217.16060	0.8
235.15207	8.5
261.22275	4.7
279.23138	0.8
287.20050	0.8
299.21552	0.7
305.21234	100.0
306.21527	9.8
323.09763	1.9
323.16959	1.9
323.22281	20.3
324.22577	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	324.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	28.0
63.02263	2.4
65.00202	3.0
71.01245	2.7
83.01271	2.2
85.85836	1.2
89.02258	1.6
96.91530	1.4
107.01266	5.0
113.02342	1.8
117.03337	3.6
133.02843	1.8
140.66005	1.3
144.04453	2.2
145.02818	2.1
151.00333	6.2
169.06406	1.9
172.03920	3.8
176.01122	3.0
177.01833	1.8
177.08214	1.5
181.06535	1.4
183.04401	2.1
187.03935	1.4
195.04247	1.3
199.03966	1.4
201.05525	3.5
211.03940	2.2
225.05525	4.1
227.03462	39.7
228.03819	2.2
229.05066	2.2
241.04768	1.6
253.04944	3.1
254.05383	1.4
255.02953	32.1
256.03534	5.5
269.04556	100.0
270.04910	7.1
279.03305	2.1
280.06042	2.0
284.03268	36.4
285.03558	2.8
297.04056	2.6
324.05103	24.7
325.05441	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	325.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63963	2.2
59.01249	15.2
71.01252	5.5
71.20562	3.7
73.02838	2.6
85.02824	2.7
97.09799	1.9
101.02313	4.0
109.02827	5.0
110.98156	1.6
117.03309	3.2
119.04922	100.0
119.98035	1.8
123.04441	4.2
125.02363	5.3
137.02341	2.6
139.03888	2.0
145.02814	11.3
149.02299	2.4
161.02278	2.1
161.04480	2.8
161.05980	2.4
163.03931	51.6
163.06038	2.4
187.03889	2.3
193.07076	5.1
205.04971	3.0
233.54738	1.9
245.08185	4.3
289.07199	12.0
325.11337	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	325.0929
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
59.01257	4.9
69.77424	4.0
71.01261	2.3
73.02815	1.1
85.02829	0.7
93.03368	0.8
97.02850	0.7
99.02021	0.8
101.02320	1.6
117.03347	1.9
119.04919	100.0
120.05205	4.1
143.49121	0.6
145.02827	5.4
161.04440	0.8
163.03918	67.2
164.04277	4.0
193.07153	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	325.0928
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
50.92537	0.4
58.00462	0.6
59.01252	6.0
64.34715	0.5
70.85324	1.2
71.01247	6.1
71.04900	2.0
72.99173	5.1
73.02821	5.0
75.00747	33.5
80.95619	0.4
81.03325	3.5
82.94781	0.5
85.02868	0.7
87.00761	2.9
87.04394	0.8
89.02294	0.7
91.69249	0.5
93.03364	1.1
97.00507	0.4
97.02834	0.7
99.00757	2.7
99.04391	5.1
101.02316	1.1
101.05341	0.5
119.04921	38.9
120.05267	1.3
143.03412	7.2
145.02876	1.2
161.03197	0.7
161.04469	11.4
161.05811	0.6
163.03923	62.5
164.04213	3.1
179.05534	100.0
180.05836	3.3
193.07140	0.8
226.48108	0.5
250.56563	0.5
307.78394	0.5
325.09137	7.0
326.03207	3.2
326.09546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0931
Annotation	MEGxp0_000552
Peak:m/z	Relative Intensity
57.03339	1.1
59.01252	5.4
60.35551	0.7
62.11943	0.7
63.10946	0.7
69.03329	0.8
69.70846	0.8
70.41073	2.6
71.01255	4.6
72.99206	1.5
73.02837	1.5
75.00755	5.0
75.65577	0.7
81.03331	2.2
83.01288	1.3
85.02830	7.4
89.02318	1.2
90.41855	0.8
93.03354	0.8
96.95967	1.0
97.02851	2.3
98.20586	0.7
99.00803	0.8
99.04395	2.5
101.02335	1.9
109.02832	3.6
113.02342	1.0
117.03375	2.0
119.04922	58.2
120.05272	2.2
121.02852	1.4
123.04424	3.3
125.02354	3.4
135.04448	0.9
137.02377	2.5
143.03407	1.0
145.02855	4.5
149.02367	1.6
151.03929	1.9
159.04332	1.0
161.04475	3.2
161.06010	2.2
163.03926	100.0
164.01141	0.8
164.04312	4.2
177.05528	1.2
179.03374	1.7
179.05547	12.0
187.04021	0.9
193.07091	1.4
196.27956	0.8
203.07089	2.7
205.05060	2.3
221.08170	1.9
235.06056	2.2
245.08235	2.8
251.09370	1.2
265.07224	3.1
289.07141	15.9
290.07666	1.0
314.36398	1.1
325.09457	3.4
326.06863	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1444
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
59.01252	3.7
70.69238	0.8
71.01253	1.3
74.93938	0.4
75.80207	0.5
80.61185	0.4
89.02328	0.6
90.92286	0.4
93.03360	0.5
96.95956	0.5
97.66503	0.4
101.02335	1.4
108.02044	0.5
109.02847	2.9
113.87848	0.5
119.04921	0.4
121.02854	1.9
122.03656	0.5
123.04439	1.0
130.04106	0.5
131.04886	0.7
133.02861	1.0
134.03630	7.9
135.04419	1.6
145.02869	11.6
146.03584	1.3
147.04439	2.4
148.05186	0.7
149.05992	33.9
150.06322	1.5
150.52226	0.4
159.04448	1.0
161.04460	0.5
161.05934	0.6
164.98013	0.4
171.04602	0.5
172.05161	0.5
173.05952	2.6
174.06770	3.6
183.01138	1.7
185.06006	0.9
187.07561	0.8
193.07120	2.4
220.08939	0.6
223.07594	0.6
225.09204	1.9
233.06093	0.5
234.06773	0.7
237.05493	0.5
237.14905	1.7
238.06560	0.4
239.10710	1.3
247.07430	0.5
249.05554	0.5
249.06639	0.6
249.09149	6.5
252.07954	1.0
254.05788	1.6
259.07568	0.5
262.06387	0.8
263.07098	0.8
265.05038	1.9
265.08798	1.1
266.05759	1.9
267.10199	2.0
276.07797	0.7
277.08704	12.0
278.09433	5.0
279.06714	1.1
279.09860	0.9
280.07458	2.9
291.10376	0.9
293.08295	1.5
293.11612	0.9
294.08966	6.7
295.09750	55.8
296.10144	5.7
309.11328	6.7
310.12106	70.8
311.12479	6.2
325.14453	100.0
326.14767	9.4
342.11176	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	325.202
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
56.47250	0.9
57.03334	5.5
58.00473	1.2
59.01252	15.2
69.03325	1.4
69.35597	7.0
71.01240	5.1
73.02801	3.5
77.13291	1.0
80.02541	1.5
83.04887	3.5
85.02828	3.8
89.02298	2.4
95.04939	1.4
96.95888	3.8
97.02824	1.3
97.06450	3.6
99.00716	1.4
101.02354	5.2
109.06467	1.4
110.03588	1.6
111.08043	22.6
113.02322	2.0
123.08051	3.7
125.09610	31.7
126.10020	1.1
127.11177	14.8
135.08076	2.0
137.09621	11.1
139.11165	2.3
141.09113	2.7
141.12721	1.5
145.02843	1.3
151.11234	5.3
153.09093	3.2
155.10684	4.5
155.30040	1.1
161.04463	2.2
161.05890	1.2
163.03859	1.3
164.08356	3.2
165.09164	5.3
167.10681	2.8
169.12189	2.1
171.10187	16.2
173.99446	1.1
183.10202	1.8
193.07146	9.0
195.10205	4.8
197.11784	2.4
199.09677	4.1
199.13344	1.8
201.11255	86.3
202.11513	2.9
209.11844	2.0
211.09752	2.2
211.13332	2.0
213.11256	57.0
214.11594	2.2
237.14879	1.7
250.12109	1.4
255.16037	1.1
263.20114	1.3
265.12796	1.2
289.18073	20.7
290.18539	1.6
302.78149	1.0
307.19113	40.7
308.19559	2.5
325.11862	6.1
325.20203	100.0
326.20651	7.4
338.18723	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00951	1.0
58.57964	1.0
59.01255	12.3
59.42112	1.2
71.01252	2.9
71.53925	1.6
73.02837	1.3
73.24413	1.4
85.02818	2.6
89.02280	1.6
98.31756	1.0
101.02330	4.3
113.02354	1.4
116.01406	1.0
140.02655	1.0
163.06047	1.3
183.01134	16.5
184.01639	1.5
193.06998	6.1
197.02719	11.9
205.14090	1.1
263.23767	3.6
281.24860	76.6
282.25140	5.8
307.22617	1.7
325.11334	3.7
325.18430	49.3
325.23846	100.0
326.18759	4.3
326.24191	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	325.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	1.5
71.01256	12.0
72.02035	24.2
98.03636	3.0
98.20573	3.2
106.32477	1.2
106.93363	1.3
109.16469	1.5
149.09628	2.4
152.94421	1.5
163.11171	3.3
183.01151	17.6
184.01874	2.2
201.15738	1.4
237.22229	5.5
238.22459	1.7
239.23827	1.7
253.25349	2.1
256.45590	1.3
263.23801	21.1
264.24194	2.2
281.24860	100.0
282.25180	9.3
285.75424	1.4
325.18430	35.1
325.21762	4.3
325.24023	4.4
326.18707	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	325.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.7
60.36980	0.7
70.82508	1.6
71.01261	10.4
72.02035	22.6
77.24278	0.7
79.95621	1.3
86.89040	0.8
93.03321	0.9
94.95968	0.7
98.03615	3.8
101.02328	1.1
115.93902	0.8
126.33036	0.8
147.60732	0.7
149.09625	53.6
150.09969	2.7
163.11197	53.4
164.11537	3.4
183.01132	33.5
184.01776	3.6
193.07098	1.7
197.02690	2.3
212.38745	1.0
216.01009	2.4
237.22232	4.4
251.23755	0.9
253.25493	1.3
254.52373	0.8
263.23785	22.3
264.24146	1.3
281.24854	100.0
282.25150	8.8
325.18362	63.7
325.21796	42.3
326.18671	7.5
326.22119	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	327.0876
Annotation	Milletenone
Peak:m/z	Relative Intensity
59.01258	1.5
71.01256	1.2
71.49919	0.5
73.66001	0.2
74.43446	0.2
80.23903	0.2
85.02829	0.4
89.02318	0.4
91.05396	1.0
92.54131	0.3
93.03317	0.3
96.95866	0.5
97.40039	0.2
106.55412	0.2
109.02843	0.7
111.00803	0.3
116.02820	0.2
121.02847	100.0
122.03171	3.7
123.00802	0.8
123.04433	0.6
124.01545	1.2
125.09637	0.5
134.03670	0.3
135.04411	10.7
136.01514	0.3
136.04796	0.4
137.09637	0.3
148.05215	2.1
149.05956	0.5
155.10725	0.3
163.03920	1.7
163.07567	0.9
164.04774	0.3
165.05449	0.3
171.10179	1.8
175.07590	0.8
177.09204	1.4
185.11768	0.5
197.11769	0.5
199.00706	0.3
201.11292	0.5
239.07182	0.5
240.65388	0.2
255.19696	0.3
265.21857	0.3
267.10800	0.3
290.86493	0.2
297.04163	0.6
297.07620	0.4
299.66251	0.3
309.20868	0.4
312.10101	0.5
312.13638	0.5
324.53781	0.3
325.66537	0.3
327.08762	15.3
327.12460	5.6
327.21750	7.2
328.09137	1.8
328.12964	0.7
328.22141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0874
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
59.01238	0.9
59.38297	0.4
71.01259	2.4
71.40986	0.5
85.02817	0.8
87.31520	0.5
93.03337	39.1
94.03683	0.8
96.99191	9.5
106.04138	0.7
107.04918	0.8
108.02040	1.0
109.02799	0.8
115.00262	0.7
117.03374	3.0
119.04917	34.3
120.05222	1.4
121.02849	1.1
121.55248	0.4
123.04372	2.7
130.04175	2.8
131.04935	9.1
132.05701	0.7
133.02859	7.3
137.02299	1.6
143.04930	31.0
144.05260	1.3
145.02859	5.3
145.06496	1.5
147.04485	0.8
159.04402	1.2
163.03923	16.1
165.09097	0.8
171.04460	4.2
188.20671	0.5
195.04225	0.5
195.08055	0.6
201.94331	0.5
211.07620	9.9
212.07971	0.7
219.08131	1.5
221.09569	2.7
222.06705	0.8
223.07600	1.9
235.07646	5.5
236.07996	0.6
237.09146	10.4
238.09586	0.6
239.10675	1.4
247.07526	0.7
250.06308	0.7
263.07108	1.2
264.07883	1.1
265.08688	29.1
266.09012	1.9
281.08121	0.7
283.09793	2.8
309.07660	7.3
327.08716	100.0
328.09055	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02219	2.4
59.01255	53.1
60.37505	2.6
66.79015	2.6
70.44172	5.9
70.44518	5.7
71.00896	4.1
71.01255	42.9
72.99171	7.4
73.02819	64.8
75.00742	8.5
76.64463	3.0
77.63307	2.6
82.37238	2.6
85.02811	13.3
86.78960	3.1
87.00738	12.9
89.02314	48.4
95.01221	2.6
96.95882	11.7
98.20554	2.7
99.00745	7.6
101.02322	29.0
111.00762	13.0
113.02356	15.4
117.01829	4.6
119.03391	18.8
127.49478	2.6
136.93944	3.4
142.96536	3.7
152.91672	16.1
158.28621	2.5
159.17787	2.9
161.04417	4.0
179.05516	4.9
191.01881	13.7
191.05457	8.2
195.88220	2.9
200.77817	2.9
222.92125	5.2
266.94183	4.5
327.09299	100.0
328.09756	6.0
343.02191	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	327.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82695	0.6
51.97206	0.7
54.61185	0.8
59.01255	2.9
63.82174	0.8
71.54549	0.9
75.53546	0.7
85.02837	2.2
89.02328	1.4
101.02306	1.1
105.35729	0.7
108.02058	2.3
111.00798	0.8
119.04907	3.8
121.02859	1.7
123.04403	2.4
123.96685	0.8
125.09670	0.8
127.21313	0.8
131.28619	0.8
134.03627	1.7
135.04527	0.8
136.75304	0.9
147.04419	54.0
148.05215	36.7
149.02338	2.6
149.05553	1.4
150.03145	6.9
161.06029	1.1
162.03145	9.2
162.06789	11.0
162.08121	1.2
163.03886	2.0
163.07547	3.3
164.04681	1.1
165.05441	3.7
165.07655	1.0
169.04895	0.9
171.10167	3.4
175.03931	1.5
176.04710	17.0
177.05153	0.8
180.04214	8.2
181.86754	0.9
189.05530	1.7
190.06270	5.4
191.07062	100.0
192.07384	5.4
194.05771	12.9
201.11292	1.1
203.07094	1.9
208.03633	0.8
212.03952	0.8
239.07004	1.0
251.07150	1.1
260.73822	0.8
267.06641	2.0
268.07413	3.5
279.06573	2.9
283.09769	3.2
284.10483	2.0
294.09006	3.5
297.04062	2.5
299.12796	5.5
309.11276	1.3
312.09885	1.4
327.08713	2.4
327.12323	16.4
327.21735	16.7
327.25201	0.6
328.12708	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	327.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49848	8.7
59.01254	100.0
61.98684	6.4
70.11418	31.3
71.01265	41.5
74.74413	7.4
85.02831	15.6
86.74110	6.7
89.02312	29.6
97.37043	7.2
99.99337	9.0
101.02318	41.8
113.02309	17.9
116.84933	8.7
119.03390	17.4
139.52353	7.3
161.04448	23.7
165.07579	13.6
168.13304	8.1
267.10849	53.6
289.43494	7.9
297.04150	12.0
327.08997	9.0
349.02863	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	327.2177
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03323	9.8
58.00467	1.6
58.74379	0.8
59.01262	5.2
65.77663	0.9
69.77297	5.3
71.01249	3.7
73.02813	2.0
85.02834	2.1
85.06410	1.1
87.04409	1.6
89.02297	1.4
97.06452	1.1
101.02297	1.2
102.63879	0.9
113.09609	19.9
119.03368	0.9
121.02853	1.9
123.08053	2.0
125.09639	8.0
127.11180	12.7
135.07939	1.1
137.09613	3.0
139.11128	1.6
141.09106	3.0
151.11186	2.0
153.09105	2.2
155.10695	4.8
165.05420	1.5
165.07794	1.2
165.09142	3.4
171.10168	9.6
183.10129	1.7
195.10257	4.6
199.03606	1.1
199.09656	2.7
201.11255	74.5
202.11618	4.1
210.99167	1.0
211.13431	1.1
213.09215	2.4
213.11275	46.2
214.11516	2.3
235.94516	0.9
238.02705	0.9
267.10858	1.1
274.25519	1.1
291.19659	8.3
297.04041	4.3
297.07349	0.9
309.20752	17.7
310.21051	1.6
312.09888	1.1
312.13159	1.1
327.08755	4.2
327.12939	2.9
327.21768	100.0
328.22028	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.01713	0.5
57.03327	2.6
59.01251	1.2
62.99257	0.3
69.03327	2.6
71.01255	1.7
74.36938	0.4
80.02567	0.4
81.03316	0.5
83.04902	1.1
84.02030	0.5
85.02828	7.8
95.04912	1.3
96.48524	0.3
97.02840	0.7
97.06471	5.6
98.20668	0.6
109.06497	0.5
119.08601	0.5
123.08046	0.6
125.09615	1.4
127.11184	2.7
137.09634	1.8
140.47717	0.4
155.10654	0.9
155.14316	0.7
162.76616	0.3
165.12779	1.2
167.14336	0.9
171.10181	17.5
172.10503	1.0
175.11214	0.5
177.12778	1.2
181.12413	0.5
183.13834	5.0
185.11787	1.2
193.12285	1.4
197.11807	0.9
199.13168	0.5
203.10666	0.6
209.11879	2.1
211.13344	22.7
212.13646	1.3
221.11815	3.8
227.12785	0.7
229.14420	14.0
230.14763	0.8
239.12878	2.1
247.20683	0.5
291.19662	3.0
295.79150	0.4
309.20670	1.6
327.21774	100.0
328.22144	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	327.2178
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
53.10071	0.7
57.03311	1.4
58.00468	1.1
59.01252	5.1
69.03329	6.2
71.01244	2.0
83.04902	0.9
85.02822	1.6
89.02331	1.5
97.06462	0.9
101.02279	1.0
104.32602	0.8
108.05727	1.4
113.02341	0.9
119.08576	6.9
121.02858	2.4
125.09602	3.7
127.11156	3.8
135.04399	1.6
135.08014	2.8
137.02379	0.9
137.09627	27.4
138.09955	1.3
146.50116	0.7
151.03769	0.9
161.04556	0.9
171.10184	100.0
172.10532	3.8
177.61578	0.8
185.11778	1.8
201.11275	24.3
202.11667	1.7
211.13327	1.5
213.11263	3.6
262.80237	0.9
273.18628	2.6
278.93304	0.8
291.19647	3.7
292.20248	0.9
297.04031	3.6
297.07538	1.4
297.11325	1.6
309.11255	1.4
309.20743	7.8
312.06528	1.0
312.09943	1.8
327.08774	3.8
327.12512	4.9
327.21768	53.1
328.22073	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	327.254
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
55.46971	0.5
57.03304	0.9
59.01235	1.9
69.56605	0.5
71.01256	1.2
72.11388	0.5
77.16178	0.5
81.39092	0.5
83.04890	0.9
135.37231	0.5
141.18692	0.5
165.07767	0.5
185.00749	1.9
263.23706	1.1
265.25363	72.3
266.25665	5.8
283.26379	1.9
297.04025	1.6
309.24356	24.6
310.24680	2.4
312.09863	0.7
327.08737	1.2
327.18481	4.9
327.25412	100.0
328.15311	0.7
328.18982	0.6
328.22171	0.4
328.25726	9.0
335.80112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17286	1.7
53.71601	1.5
56.79937	1.6
57.03310	6.9
59.01233	5.2
59.94369	1.2
65.99698	4.3
67.72950	1.8
69.03308	2.1
70.40340	4.8
74.25934	2.0
76.62793	1.4
81.03333	1.7
83.01243	6.6
83.04857	1.7
93.03335	5.4
95.01260	3.7
97.02827	6.4
98.20383	2.0
107.04894	3.8
108.02071	1.6
109.02838	41.8
109.03586	2.3
111.04338	1.6
121.02840	12.2
122.02326	4.6
122.03616	6.7
123.04406	23.1
124.01558	2.5
125.02336	33.0
132.04416	1.5
133.02856	3.3
135.04440	11.2
136.03896	2.4
137.02342	54.9
138.02689	1.8
139.03928	13.7
145.02834	7.1
147.04411	4.5
148.03922	14.9
149.02351	21.4
150.03137	10.4
151.03909	25.9
159.04422	3.5
160.03943	7.4
161.02361	14.5
161.05981	3.3
162.03056	4.9
162.05406	4.0
163.00320	3.1
163.03949	11.9
164.01062	8.8
164.03423	4.5
165.01846	24.2
166.04982	7.6
167.03345	5.8
172.03946	16.5
173.05849	3.2
175.03915	8.1
176.01028	3.8
176.03459	6.5
177.01860	7.8
177.04115	1.9
178.02635	6.6
178.05017	2.5
179.03387	18.8
184.03928	2.3
185.06036	1.8
187.03966	1.7
187.07716	2.5
189.05435	2.5
190.05046	8.0
191.03401	7.0
192.04213	2.1
197.05943	4.5
199.03896	1.6
200.04788	2.9
201.05400	3.9
203.03458	2.1
203.07123	2.1
205.05043	4.2
213.05490	6.7
214.06267	2.8
215.07076	51.6
216.07368	2.5
218.04568	2.9
233.08122	13.0
239.07121	1.8
242.08160	6.9
255.06612	1.8
257.08121	18.9
259.06061	9.3
260.09189	2.9
283.06085	2.7
284.09210	10.0
286.07196	3.5
301.07172	46.9
302.07147	1.9
310.07153	6.7
328.08255	100.0
329.08386	7.0
329.11975	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	329.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70395	0.5
59.01250	4.2
63.02280	3.2
65.00191	12.4
65.00513	0.7
71.34097	1.2
81.02108	0.6
82.02860	3.1
83.01262	5.9
88.38651	0.6
89.00208	6.3
93.07588	0.6
95.01324	0.9
106.06525	3.2
107.01276	17.9
110.00026	1.0
121.02869	0.9
122.06039	1.1
123.04395	2.9
132.04460	8.0
134.06024	10.2
136.03912	0.8
147.04486	0.8
149.02342	4.8
151.00281	100.0
152.00664	3.3
153.05446	0.9
158.03653	1.0
160.03938	4.6
161.04735	10.3
162.05530	23.5
163.03972	0.8
163.05884	1.1
164.04698	1.0
167.03415	5.4
169.01385	1.6
169.02768	1.6
173.02371	0.9
174.03134	1.9
176.03368	1.5
177.01883	0.9
178.99792	65.5
180.00121	2.4
186.03120	0.9
188.42729	0.7
193.03763	17.2
196.40985	0.7
197.02368	1.0
201.01878	1.3
202.02676	1.8
206.04649	0.7
206.26775	0.7
212.07120	1.6
213.01891	2.5
214.02615	2.5
214.08696	1.6
225.01785	1.2
226.08633	1.3
229.01318	0.8
230.02084	2.5
241.01302	1.2
241.06038	2.3
242.02127	2.1
242.11804	1.6
243.11389	1.3
255.07567	0.8
257.09210	2.8
258.01770	5.6
268.09644	0.8
269.00903	2.3
269.09348	2.3
270.01727	0.9
271.02292	0.7
285.12463	19.7
286.01221	4.7
286.12820	2.0
297.00415	9.2
298.00986	1.6
301.03445	4.6
311.10556	3.3
319.15372	0.9
328.99164	1.2
329.03073	18.9
329.07169	0.8
329.11337	26.1
330.03305	2.8
330.11536	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	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.77088	0.3
54.80186	0.3
55.75982	0.3
57.03340	0.7
59.01248	5.6
65.00201	0.7
69.49355	1.7
71.01250	1.4
80.02570	0.5
81.03329	5.3
83.01262	3.6
83.01707	0.3
85.02821	0.7
92.67191	0.3
93.03340	0.7
95.04926	1.0
97.02868	0.6
99.04346	0.3
101.02285	0.4
106.27790	0.3
107.01260	0.5
109.02871	0.3
110.37554	0.3
113.02303	0.4
118.63258	0.3
119.04881	0.4
121.02853	1.1
123.04415	42.4
124.04730	1.7
125.02332	4.9
131.01305	0.6
135.04404	0.5
137.02339	1.4
139.03928	0.6
149.02365	1.3
151.00285	1.6
151.03908	1.7
163.03955	1.4
166.02603	0.6
167.03418	100.0
168.03760	4.5
175.00278	1.4
179.03419	1.4
180.04243	0.6
181.04982	3.2
191.03435	23.5
192.03772	1.3
199.79906	0.3
209.04501	9.7
210.04720	0.5
221.04553	3.0
225.48982	0.3
233.04553	0.4
242.09093	0.3
329.08835	4.4
329.16006	0.4
344.41190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1243
Annotation	(1'S,2'R)-1'-(4-Hydroxyphenyl)propane-1',2'-diol 2'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02192	1.9
58.00468	4.8
59.01254	100.0
59.17351	1.9
65.23697	2.3
71.01257	61.0
71.53336	2.8
72.99188	8.0
83.01233	3.4
84.03985	2.1
85.02809	12.4
89.02322	67.4
89.70168	2.1
95.01290	3.6
101.02333	35.1
109.02883	2.8
113.02343	22.3
119.03378	30.9
123.04417	22.0
125.02332	6.2
131.03455	2.9
134.03615	18.3
137.02397	2.4
148.04022	2.1
149.02356	9.0
149.05998	25.6
150.06305	2.6
152.04626	2.3
161.04498	3.8
167.07047	25.4
216.07362	3.5
262.74939	2.2
302.40811	2.3
329.08643	7.6
329.12192	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	329.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.8
59.01255	100.0
60.01571	1.4
71.01260	6.8
71.53660	0.8
73.02827	1.7
83.01287	0.6
85.02821	3.8
85.85590	0.7
89.02340	2.2
101.02341	4.4
102.10698	0.6
113.02354	2.8
119.03392	1.3
120.38030	0.5
123.04454	1.2
125.02437	0.8
149.74226	0.6
152.03485	1.2
161.04503	2.8
167.03432	1.5
168.02892	2.9
181.05054	0.8
215.99670	0.6
249.08104	1.7
269.10406	2.2
330.08017	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01582	1.2
69.24470	3.3
69.24893	2.1
71.01255	0.9
74.97518	0.6
78.45439	0.6
88.59603	0.7
96.95909	2.6
109.12852	0.7
117.92374	0.6
120.77325	0.7
209.11797	1.9
225.14920	70.4
226.15323	5.8
254.97176	0.7
269.13956	10.2
304.78113	0.7
329.07050	1.0
329.10757	1.6
329.16296	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	329.1759
Annotation	Carnosol
Peak:m/z	Relative Intensity
59.01259	4.1
70.84228	0.5
71.53582	0.7
93.03329	5.5
108.02073	1.1
109.02843	13.6
121.02853	51.4
122.03645	33.1
123.04481	3.6
124.01568	4.1
135.04417	2.1
136.01555	1.0
136.05188	3.1
137.01393	0.6
137.02370	8.6
148.05197	1.3
149.06004	10.2
151.03885	0.6
152.99500	0.5
153.01917	1.1
154.02631	7.0
163.07581	1.9
168.04228	1.4
173.02431	0.5
177.09097	2.4
189.09125	1.1
208.97209	0.5
240.07970	1.0
271.02533	1.5
285.15125	0.9
285.32346	0.5
296.13779	0.5
299.01926	1.5
299.12744	1.4
313.14557	1.5
314.15247	45.5
315.15558	4.5
329.17587	100.0
330.17941	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	329.2334
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
57.03318	1.0
59.01246	1.6
59.38044	0.3
62.92953	0.3
69.03319	0.6
69.44670	1.2
69.45099	0.9
71.04877	0.3
83.04905	0.8
85.02817	0.4
89.21140	0.3
90.57457	0.3
94.27543	0.3
97.06476	0.7
99.08038	5.6
111.08004	0.3
125.09619	1.6
127.11166	3.2
129.09085	0.4
137.09552	0.3
139.11191	2.6
143.72160	0.3
155.10706	0.6
155.14351	0.9
158.28287	0.3
165.12796	0.7
167.10637	0.4
167.14323	1.4
171.10185	7.8
181.12219	0.4
183.13841	6.5
193.12248	2.0
199.13452	0.4
209.11771	1.2
211.13344	33.2
212.13710	1.9
229.14420	19.5
230.14722	1.0
242.82367	0.3
293.21158	1.0
311.22202	0.9
329.23328	100.0
330.23672	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	330.1198
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
59.01261	10.3
61.84364	1.3
61.98705	2.7
71.01260	7.6
71.52931	2.1
83.01280	2.0
85.02831	2.3
85.99969	3.4
87.00759	21.0
89.02354	2.4
101.02341	3.7
107.03694	2.4
111.00726	1.5
113.02327	4.8
121.05248	2.9
122.06026	47.9
134.06024	6.1
135.03168	3.0
136.03923	2.6
136.07574	15.7
146.05992	2.1
148.07625	2.6
150.05528	100.0
151.05841	2.9
152.07079	9.6
162.05557	3.6
164.07077	2.4
168.06583	1.8
169.64458	1.5
174.05569	3.2
175.06374	3.7
176.07095	8.8
194.08173	4.3
204.06587	3.2
222.07718	4.2
252.08800	2.0
268.40805	1.7
296.37393	1.8
300.11060	2.5
311.79343	1.8
312.10928	61.3
312.14584	3.0
313.11264	5.6
330.11987	31.7
331.12250	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98275	4.3
59.01247	32.9
63.02251	6.9
65.00186	28.7
67.01748	7.8
70.94632	5.0
71.01259	29.7
73.02811	8.7
73.54916	4.3
83.01260	18.1
85.02811	12.3
89.02322	16.3
95.01281	29.6
97.84033	4.9
99.00760	9.6
101.02324	17.0
107.01291	29.2
109.02835	9.7
109.99953	23.7
111.00774	28.2
113.02324	13.6
119.03392	5.0
123.00778	33.3
125.02345	10.7
136.98703	11.6
137.02356	11.4
137.99495	14.4
139.00273	65.4
140.00673	5.5
147.04388	6.6
148.82779	5.1
151.00311	76.1
159.04361	8.6
161.04486	8.6
163.00284	21.0
164.98170	14.0
165.01810	9.8
165.98991	30.2
166.99774	52.3
169.01326	14.5
173.02310	5.8
178.99789	100.0
187.03883	5.9
189.01797	9.5
190.99748	34.9
193.98470	18.7
194.99295	28.3
201.01903	7.7
203.03465	11.9
206.99269	33.3
213.01813	11.8
215.03346	9.2
217.01329	6.8
231.02878	12.3
241.01315	7.8
245.00865	13.2
257.00848	11.7
259.02371	28.9
269.00839	7.4
275.01834	13.7
285.00381	21.4
287.01941	20.4
303.01443	21.3
312.99759	13.0
331.00922	48.8
331.08020	6.3
331.17676	6.5
332.01413	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	331.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83323	0.8
66.05914	0.6
69.66841	0.7
70.55782	1.3
70.56149	1.6
71.01254	1.0
85.02822	1.2
85.79137	0.6
93.02397	0.6
93.03360	3.4
117.06997	1.6
121.02846	66.8
122.03149	0.8
122.03561	0.7
129.06923	0.8
131.08553	2.1
145.02815	1.0
147.08049	1.4
149.02351	10.2
150.02924	0.7
151.41707	0.8
157.06493	4.7
159.04408	3.7
160.05203	3.9
161.06004	7.3
162.06641	0.8
172.05176	1.2
173.05995	6.4
174.06796	6.6
175.07562	16.7
176.08006	0.8
185.06003	1.7
187.03900	1.5
188.04678	1.2
189.05550	1.7
201.05528	3.8
203.07071	16.8
204.07541	1.0
244.14658	100.0
245.14960	7.9
259.17029	25.6
260.17316	2.0
272.14178	62.0
273.14584	5.1
284.11514	0.8
287.16537	28.5
287.19714	1.5
288.13846	0.8
288.16916	1.9
331.15491	11.5
331.19098	1.0
332.15753	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	331.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95868	0.4
55.01759	6.7
57.03325	7.0
58.00468	4.9
59.01252	92.6
60.01594	1.5
69.03320	0.9
71.01257	100.0
71.54351	0.3
71.54741	0.4
72.01597	1.8
72.99180	6.3
73.02821	21.2
75.00742	1.2
81.03312	1.3
83.01264	13.3
84.01586	0.4
84.02047	0.8
85.02827	39.6
86.03167	0.7
87.00758	4.7
87.03848	0.5
87.04395	15.7
89.02321	50.9
90.02661	0.9
95.01270	6.6
97.02840	1.6
99.00763	9.5
99.04408	0.6
101.02325	71.4
102.02654	1.5
111.00787	0.6
113.02334	40.2
114.02680	1.2
119.03394	20.0
125.02348	1.4
129.01833	0.6
131.03401	2.2
139.00246	0.4
139.11162	0.8
143.03403	2.8
149.04442	1.1
151.11177	2.5
159.02911	4.1
161.04477	14.5
162.04898	0.4
169.12273	8.6
170.12616	0.4
179.05482	1.4
225.14706	0.5
226.15279	0.5
227.15555	0.7
239.64099	0.4
262.60809	0.4
271.02649	0.4
304.39713	0.4
316.33585	0.4
331.08334	0.5
331.11783	0.5
331.17587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1762
Annotation	Rosiridin
Peak:m/z	Relative Intensity
51.91352	1.1
55.01756	6.5
56.08585	1.2
56.17074	1.1
57.01651	1.0
57.03313	6.0
58.00454	2.6
59.01253	65.3
71.01256	100.0
71.31715	1.7
72.01573	1.1
72.99185	2.8
73.02818	25.1
82.47188	1.2
83.01256	10.5
84.45832	1.1
85.02826	39.2
85.99978	2.7
87.00752	10.6
89.02323	25.8
95.01269	7.3
97.02802	1.5
99.00758	9.2
99.31444	1.0
101.02325	63.6
102.02613	1.5
113.02333	37.0
119.03397	9.3
125.02368	1.3
129.01820	2.6
131.03424	13.3
143.03410	4.0
151.11215	3.7
159.02907	7.2
161.04469	35.4
162.04706	1.5
168.14626	1.1
168.79907	1.1
170.07111	1.1
221.06624	16.2
331.17542	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	331.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	5.0
55.98430	0.5
56.08612	0.6
57.03323	5.3
58.00466	2.9
58.69302	0.7
59.01252	55.8
69.03339	0.8
69.38932	1.7
69.39343	3.2
71.01255	100.0
72.01598	1.8
72.99191	4.1
73.02820	26.8
75.00761	1.9
83.01263	11.7
83.04877	1.2
85.02827	38.1
85.99976	2.2
86.03168	0.9
87.00749	10.9
89.02317	29.4
95.01268	7.2
97.02832	2.6
99.00762	10.6
101.02324	65.1
102.02663	1.8
113.02331	43.0
114.02700	1.6
119.03391	11.8
120.55351	0.7
125.02360	2.2
129.01819	1.6
131.03401	17.1
136.01532	1.5
143.03398	4.0
146.99571	0.7
151.03889	2.3
151.11205	4.6
159.02904	9.6
161.04471	38.2
162.04839	1.5
163.03879	1.0
164.04698	7.6
179.05611	1.0
179.07111	1.6
196.03711	0.8
205.03467	1.6
207.06569	1.9
221.06631	12.9
313.10782	3.1
314.11273	1.0
331.08032	1.1
331.11841	4.7
331.17575	2.8
332.12045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42460	1.5
59.01260	5.7
71.01258	7.9
71.53994	2.6
73.02814	2.8
85.02824	3.7
89.02351	1.8
89.03072	1.9
101.02349	4.5
107.40586	1.7
113.02339	3.4
121.24439	1.9
125.02348	2.9
152.04633	2.8
152.20561	2.2
153.01843	2.9
161.02412	1.8
162.03136	8.4
170.07375	3.0
171.08101	6.6
182.87498	2.1
200.04686	2.1
201.05380	2.4
202.06369	6.7
213.05595	1.9
215.07089	64.7
216.07774	12.1
229.08789	2.2
278.52078	2.2
284.14160	32.9
299.16519	100.0
300.16818	10.3
331.15305	2.1
331.19131	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	333.0254
Annotation	3,5,6,7,2',3',4'-Heptahydroxyflavone
Peak:m/z	Relative Intensity
56.55742	4.3
57.03312	4.9
59.01247	21.2
63.02272	13.4
65.00196	20.5
71.01257	13.8
71.54603	6.0
81.03355	5.0
83.01267	21.6
85.02832	16.4
87.06486	4.8
89.02310	7.4
95.01257	21.6
96.95884	5.4
96.99203	6.3
97.02863	8.0
99.00766	22.2
101.02330	8.2
102.31928	4.2
107.01280	33.2
109.02848	78.6
111.00768	37.4
123.00768	33.1
124.01531	14.0
124.26450	3.9
125.02336	61.2
133.02843	35.8
135.00806	12.3
136.98781	11.1
137.02364	17.4
139.00272	43.6
140.01004	6.0
141.01839	61.6
149.02373	13.3
151.00287	100.0
152.00990	17.5
153.01848	47.4
159.04453	8.1
161.02371	7.7
163.00299	36.8
164.01004	7.4
165.01839	6.5
166.99802	49.8
168.00551	31.2
169.01378	37.9
171.04420	8.3
171.10257	7.1
175.03920	9.1
177.01845	18.4
178.99783	87.4
180.00195	8.5
185.02306	5.1
187.03967	12.2
189.01855	8.3
190.99817	22.4
193.01378	10.4
194.99315	28.7
197.00929	11.1
199.03902	12.0
201.01863	5.4
202.02644	5.5
203.03462	14.6
204.97701	10.0
205.01389	16.6
206.99312	55.4
207.99980	7.0
209.00853	19.1
215.03467	12.3
217.05009	11.3
217.10849	7.1
219.02971	10.8
222.98830	52.3
223.99562	17.5
227.03464	9.2
233.00807	6.2
233.04546	12.5
243.02962	19.9
245.01047	5.0
245.04549	7.1
247.02542	11.3
259.02359	11.4
261.04037	9.6
271.02518	16.0
287.01956	33.2
289.03488	9.7
291.14496	8.0
305.03064	9.8
315.01492	56.7
333.02478	72.0
333.15781	6.1
334.02856	6.1
335.82684	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0251
Annotation	3,5,6,7,2',3',4'-Heptahydroxyflavone
Peak:m/z	Relative Intensity
57.29665	6.2
59.01251	17.6
60.62626	6.4
63.02264	14.2
65.00195	23.7
67.01748	6.7
69.03324	6.3
71.01256	16.3
83.01264	28.4
83.16946	6.9
85.02840	9.3
91.02583	6.0
95.01283	22.5
96.95898	19.4
97.02845	10.8
98.20645	7.0
99.00770	28.6
107.01278	39.3
109.02839	86.8
111.00782	42.2
117.36845	6.4
119.04922	6.4
121.02786	7.9
123.00791	38.4
124.01561	8.4
125.02343	52.4
133.02856	53.1
135.00772	10.1
136.98740	18.4
137.02344	31.7
139.00278	70.9
140.00903	6.4
141.01830	73.6
145.02843	9.9
149.02280	13.9
149.99521	10.1
151.00266	100.0
152.01030	19.5
153.01874	55.4
154.99733	9.2
159.04469	9.5
161.02391	15.9
163.00310	35.2
164.00986	6.8
165.01772	15.2
166.99757	43.2
167.20380	7.2
168.00566	40.8
168.81235	7.1
169.01369	63.3
171.04439	9.5
175.03914	10.3
177.01851	16.0
178.99768	94.0
185.02281	6.8
190.99747	31.2
193.01158	7.7
194.09418	17.1
194.99261	39.4
197.00868	12.7
199.03891	8.6
201.01854	8.8
203.03465	10.6
204.97702	8.8
205.01303	11.6
206.99313	57.2
207.99977	9.0
209.00835	21.5
209.11963	8.5
213.01865	7.6
215.03412	21.0
217.04970	15.8
221.17667	8.0
222.98808	50.5
223.99506	20.7
227.03462	12.2
229.01360	8.5
233.00900	6.9
233.04492	15.0
243.03017	23.0
259.02332	14.0
261.03946	8.3
271.02509	25.1
287.02008	18.2
289.03339	9.4
297.00458	8.2
313.08096	6.7
315.01440	48.3
333.02469	62.3
333.06284	14.4
333.92072	8.1
339.62561	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	333.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.0
71.01251	2.3
71.55053	1.5
83.52544	1.3
85.02818	1.9
90.03375	1.9
92.04920	5.9
95.47472	1.3
97.51543	1.2
100.84458	1.2
101.02304	2.4
103.04146	1.5
104.04936	6.0
118.02869	3.1
120.04447	3.6
122.06007	17.3
123.03139	2.7
125.02337	1.8
136.03934	1.5
136.07637	1.7
138.05519	16.0
140.07077	11.5
143.07278	1.6
148.03908	3.9
152.03503	1.7
154.06477	1.7
156.08086	1.6
158.09657	2.9
166.05028	11.8
167.05721	4.1
168.06570	4.2
168.07976	1.7
169.08841	2.4
171.06979	1.4
172.07587	1.5
172.11211	10.0
184.11224	13.2
186.05585	1.5
187.06322	3.0
188.10788	1.6
192.02998	1.7
198.09239	1.4
200.07069	2.5
201.07953	2.3
202.12311	13.9
211.05156	2.1
212.05786	3.7
213.10338	2.7
214.08745	3.2
215.09399	4.6
215.11740	1.4
216.10379	10.9
217.07399	37.6
218.07692	2.6
225.06641	4.1
226.07417	4.5
227.04655	2.0
227.08118	2.9
228.05139	1.3
231.08974	18.4
237.06512	1.8
238.07381	3.8
239.07692	1.4
240.08949	2.4
241.09793	28.5
242.07008	2.9
242.10312	2.2
243.11307	2.9
246.11327	81.8
247.11720	7.1
253.09795	11.7
255.07803	3.1
256.08374	2.8
259.10861	17.3
271.10886	100.0
272.09012	4.2
272.11240	7.3
289.11914	16.5
297.08890	1.8
315.09906	6.9
333.10886	50.4
333.14825	2.5
334.11145	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	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01224	0.9
63.45705	0.6
71.01249	1.2
71.54858	0.9
78.03374	1.0
92.04947	2.2
94.02848	0.6
94.06518	3.9
101.08321	0.6
104.04935	2.4
105.03358	1.8
106.02852	0.6
106.06509	11.3
108.04448	1.4
120.04438	5.0
121.05222	2.0
122.06017	14.6
122.75200	0.6
123.03176	1.4
124.07571	0.8
131.03568	0.6
132.04440	6.4
138.05510	20.6
139.05803	1.3
150.05550	3.1
174.12782	0.7
176.00539	0.7
189.07893	0.9
202.12320	0.8
215.11891	2.4
217.07368	1.8
229.09811	1.3
230.41266	0.8
231.08949	0.9
231.11284	0.9
241.09798	1.7
243.11397	1.7
259.10599	1.1
271.11084	0.8
289.11948	100.0
290.12320	8.5
290.78485	0.6
333.10837	8.3
334.10712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64637	0.3
58.02838	0.3
70.68830	0.7
70.69144	0.5
85.02832	0.4
88.48041	0.4
107.04929	0.4
135.04411	4.7
136.05202	100.0
137.05540	3.8
151.07552	15.5
152.07852	0.5
160.15787	0.4
162.03157	1.1
172.05209	0.8
172.26439	0.4
187.07518	0.7
256.14691	1.9
271.17175	0.8
274.15747	6.3
289.18109	6.6
333.17068	5.7
333.20743	1.5
334.17413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97330	1.0
59.01248	8.1
71.01255	1.3
71.16918	1.3
71.17242	1.1
81.95949	1.2
88.81461	1.0
96.87361	1.0
96.95885	1.4
107.04945	1.2
113.02424	1.3
125.41390	1.1
135.04416	13.6
136.05209	5.6
147.04411	8.7
148.05190	16.6
149.06001	5.3
151.07570	1.3
159.04430	1.7
163.07616	1.3
169.06363	2.0
172.05258	5.6
187.07547	4.8
191.07072	8.2
192.07596	1.5
213.09058	1.2
245.15117	1.2
256.14676	14.7
259.13351	1.6
271.16937	1.7
274.15741	100.0
275.16040	7.9
289.18094	53.2
289.20749	1.2
289.21402	2.1
290.18536	5.7
333.13300	1.3
333.17041	2.9
333.20694	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1707
Annotation	Gibberellin A10
Peak:m/z	Relative Intensity
59.01247	1.4
69.51170	0.6
71.01243	1.3
96.95882	1.0
107.04919	3.0
125.28608	0.6
131.08528	2.0
135.04419	70.0
136.04810	2.6
137.02368	1.0
149.06047	0.8
152.04720	0.8
159.04422	0.7
160.05209	3.1
162.03098	1.0
171.08046	0.8
174.06795	7.6
175.07574	5.6
176.08188	0.7
189.09128	3.8
204.11505	9.1
205.11801	0.9
215.07047	2.5
219.13857	1.9
229.08670	1.0
230.13167	0.8
256.14658	1.9
259.09808	4.5
274.15744	100.0
275.16122	8.7
289.18103	35.8
289.21475	1.1
290.18469	3.1
318.14734	2.2
318.87045	0.8
333.13544	1.5
333.17093	22.6
333.20508	1.4
334.17429	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	335.0775
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
59.01250	1.7
71.01256	1.1
71.53968	0.5
73.02835	1.7
76.91518	0.5
81.03322	0.7
81.49293	0.4
83.04897	2.6
85.02814	0.8
89.02323	0.5
93.03336	12.2
94.03701	0.5
97.21150	0.4
99.00742	0.7
99.04443	0.5
107.04926	1.6
109.02837	1.1
111.00782	0.6
111.04426	3.6
113.49820	0.4
125.02386	1.0
125.19947	0.4
127.00266	0.5
133.02856	7.4
134.03650	4.8
135.04419	98.1
136.04767	4.0
137.02347	5.3
139.00243	0.6
153.01836	0.6
155.03409	2.5
161.02357	23.7
162.02681	1.6
173.04509	2.0
179.03421	100.0
180.03783	5.0
194.71222	0.4
194.73042	0.4
291.08731	0.5
335.07721	30.4
336.08060	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	335.0774
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
59.01249	2.5
70.85135	2.2
71.01247	1.4
73.02819	1.5
81.03366	1.4
83.04932	1.2
85.00864	0.7
93.03346	11.4
94.03682	0.8
99.00788	0.9
107.04920	2.1
109.02821	0.9
111.00748	1.0
111.04404	4.2
117.03371	0.8
124.07564	0.9
133.02856	5.5
134.03638	5.1
135.04416	100.0
136.04791	3.2
137.02351	6.2
142.06581	1.2
150.52205	0.7
155.03384	2.1
161.01057	1.6
161.02344	22.9
162.02739	1.1
169.26643	0.8
173.04474	2.6
179.03421	84.3
180.03789	4.2
204.06564	1.2
215.06960	0.8
238.04619	0.7
243.02986	1.6
247.06036	0.8
291.08780	0.8
332.99908	0.8
335.07733	24.2
335.21310	0.8
336.08163	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	335.1863
Annotation	Smardaesidin G
Peak:m/z	Relative Intensity
59.01270	0.9
61.98716	1.1
68.99672	1.1
71.53405	1.0
72.69817	0.6
96.95876	1.6
111.48579	0.6
113.09604	4.4
145.02855	1.3
145.70775	0.5
146.03615	2.3
149.02345	11.4
159.04446	2.8
160.05209	56.6
161.05510	3.1
161.13300	0.8
164.04701	46.8
165.05048	2.3
165.12770	0.6
173.13289	2.9
175.07567	100.0
176.07913	4.7
179.07185	1.4
189.12753	3.0
193.05045	2.9
195.32953	0.6
195.71289	0.6
208.98085	0.6
217.12288	69.9
218.12604	4.5
231.13718	3.0
232.14644	56.7
233.14984	3.7
247.17073	1.2
264.13757	1.0
292.38220	0.8
335.18634	87.8
336.18970	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	337.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	3.1
59.01254	17.7
60.99186	1.1
67.01752	2.4
69.03351	1.6
69.36923	1.1
71.01250	3.7
71.09058	1.3
71.09382	1.1
71.99151	1.1
72.99165	2.3
73.02807	1.0
75.82077	0.9
76.64053	0.9
79.01761	1.1
81.03319	2.0
82.69969	0.9
83.01272	1.8
83.04906	1.0
84.65234	1.1
85.02831	17.7
87.00744	5.1
93.03335	16.5
94.19064	0.9
96.95892	1.5
97.02833	1.5
99.00771	3.9
99.04374	1.3
101.02332	1.3
108.73351	0.9
109.02848	6.2
111.00764	9.0
111.04388	3.2
119.04920	9.0
121.02792	1.6
123.00743	2.6
123.04394	1.4
125.02351	13.8
127.00244	3.6
127.03918	2.2
129.01855	6.2
134.95955	1.0
135.04384	2.3
136.04770	1.4
137.02353	5.9
139.00249	5.2
139.03886	2.2
140.01024	1.1
141.01802	4.6
145.02850	1.4
147.04457	1.3
149.02313	2.6
151.03931	1.5
153.01836	10.2
154.99776	2.9
155.03308	1.4
163.03940	9.8
165.01828	4.9
166.02541	1.2
167.03421	2.7
169.01335	3.6
173.00787	2.0
173.02231	1.0
173.04475	15.7
173.05858	1.9
177.01813	2.3
179.03413	2.7
180.03702	1.1
181.01332	1.7
183.02966	1.3
191.01903	2.4
191.05539	100.0
192.05844	3.1
193.01337	2.8
193.05063	1.2
195.02913	1.0
197.04575	1.1
198.90129	1.0
203.03365	1.2
203.07292	1.6
205.05038	2.1
206.58096	0.9
215.03340	1.1
229.04895	1.3
231.06660	1.6
233.04527	1.7
257.04584	1.3
275.05502	2.6
301.03409	1.4
319.04642	4.2
337.05164	4.9
337.09067	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	337.0777
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
56.40902	0.9
57.03326	2.6
59.01247	4.2
68.99683	1.9
69.70782	1.0
71.01245	4.6
71.52896	1.4
83.01279	2.2
83.61277	1.0
85.02824	15.8
87.00764	2.5
89.02327	1.5
94.13818	0.9
95.01252	1.1
99.00756	4.4
101.02334	3.2
111.00778	2.5
113.02318	4.4
113.99473	13.8
114.45956	1.0
115.00273	5.9
119.04906	4.3
127.00271	2.6
129.01830	9.0
145.02818	2.2
157.01331	4.5
161.04478	1.1
163.03873	5.0
173.00935	1.9
174.01611	16.1
175.02344	2.7
180.54480	0.9
191.01859	1.9
191.05527	1.8
242.92195	1.0
277.05634	20.9
293.86954	1.0
337.07764	100.0
338.08237	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	337.0929
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
57.03314	0.3
59.01236	1.2
60.99171	1.1
64.15303	0.2
67.01764	3.1
69.03336	0.9
69.68249	0.7
69.68666	0.4
71.01261	1.2
73.02821	0.4
81.03323	0.6
83.04892	0.5
84.79392	0.2
85.02821	5.1
87.00744	5.1
92.42517	0.2
93.03334	18.1
94.03670	0.4
98.19718	0.2
99.00755	0.4
99.04375	0.6
109.02827	0.4
109.28646	0.2
111.04395	3.4
113.02316	0.3
119.04918	6.9
120.05204	0.3
127.03894	1.2
129.01828	0.6
137.02274	0.3
145.02859	1.2
151.88176	0.2
155.03400	0.8
163.03915	6.7
164.04250	0.2
170.14449	0.2
171.02847	0.4
173.04469	11.1
174.04846	0.4
191.05536	100.0
192.05878	3.0
274.09488	0.2
292.54065	0.2
300.14688	0.2
337.09302	2.9
338.09479	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0931
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
59.01248	0.4
63.07180	0.3
69.18697	2.6
85.02811	2.3
87.00752	1.5
93.03345	4.3
111.04425	0.6
119.04923	1.3
127.03919	0.6
145.02838	0.8
163.03934	2.9
164.43771	0.3
173.04478	2.2
191.05548	100.0
192.05864	4.3
242.39088	0.3
244.33548	0.3
337.09302	1.6
341.89725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68538	1.0
59.01251	100.0
60.99184	1.1
67.01762	2.2
69.90481	4.6
71.01246	4.6
85.02832	12.0
87.00763	4.0
87.04379	9.2
89.02324	1.5
90.28597	1.0
93.03344	14.3
101.02324	1.5
101.05972	2.0
111.00726	1.8
111.04384	1.8
119.03305	1.3
119.04930	6.0
135.04388	2.1
136.04739	2.5
145.02821	1.8
163.03922	4.2
173.04478	8.4
179.03354	2.0
191.01848	3.3
191.05542	92.9
192.05840	3.2
337.08627	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2328
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
57.65171	0.3
62.23857	0.2
63.68149	0.2
70.84441	0.5
80.39365	0.3
95.77309	0.3
104.95145	0.2
147.08148	0.3
163.11201	100.0
164.11526	6.0
183.01154	0.7
218.17073	0.3
282.93625	0.3
339.23288	40.4
340.23615	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	339.2539
Annotation	7alpha,8-dihydroxy-5beta,8betaH,9betaH,10alpha-Labdan-15-oic acid
Peak:m/z	Relative Intensity
57.03328	0.6
59.01250	2.4
68.74102	0.5
69.03336	1.0
71.01245	1.1
71.24969	0.9
71.25321	0.6
74.22964	0.4
81.03317	0.5
90.55629	0.5
93.03353	0.6
107.04900	1.0
109.06477	11.0
113.94473	0.5
121.06509	0.6
135.83041	0.4
163.11252	2.6
179.86482	0.5
183.01184	3.8
261.22198	3.2
275.23679	0.5
277.25363	36.3
278.25693	5.0
295.26410	35.1
296.26715	3.3
321.24326	6.0
322.24533	0.5
339.20221	6.2
339.25409	100.0
340.20313	0.7
340.21231	0.9
340.25739	12.4
358.97046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86600	1.6
59.01257	22.8
63.02258	2.8
65.00193	4.9
65.61869	1.9
67.03056	1.6
69.87244	6.2
71.01255	18.2
71.93724	1.6
72.08141	1.5
83.01261	7.4
85.02837	3.2
89.02325	20.8
94.16325	1.6
101.02321	10.6
107.01268	15.8
108.02117	2.4
109.02850	1.6
113.02312	6.6
119.03405	5.4
121.02826	1.9
123.04388	2.6
124.01531	2.8
124.50938	1.5
125.02340	4.7
133.02846	5.1
144.97693	1.7
148.01582	4.7
151.00276	20.7
160.03981	3.6
161.02341	11.0
161.04440	3.3
161.47214	1.6
163.00221	3.0
164.01100	3.4
164.04715	2.8
169.01360	3.4
175.02254	1.4
177.01817	4.7
178.99806	5.2
179.05522	9.6
179.07002	3.3
184.03825	1.6
185.34245	1.6
186.01892	7.1
186.03378	1.8
187.03931	1.7
189.01836	6.2
199.03987	2.2
203.03397	2.0
212.03407	8.5
214.01402	47.2
215.01712	2.6
217.01265	1.7
227.03442	3.8
236.03481	4.0
239.03368	4.0
243.03018	4.2
254.04643	4.2
255.02893	9.6
256.03406	2.1
257.04617	1.8
267.03067	2.9
269.04556	4.1
271.02493	16.0
272.02805	3.0
279.35928	1.7
279.69565	1.7
285.04062	10.4
295.02448	5.3
296.05762	1.9
300.02740	100.0
301.03119	7.3
313.03479	13.6
322.03583	26.9
323.03827	2.5
340.04593	32.4
341.06293	6.3
341.10776	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	340.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	10.4
63.02264	5.5
64.59615	1.4
65.00189	6.3
69.86288	7.9
71.01267	7.4
80.44739	1.4
83.01254	5.9
85.02813	2.6
89.02323	8.1
101.02321	3.7
107.01254	13.5
108.02085	1.7
109.02811	2.3
115.70152	1.4
115.79854	1.8
119.03389	2.8
123.04438	2.2
125.02312	5.7
131.03317	1.7
133.02814	4.6
148.01529	4.2
151.00285	24.6
160.03909	5.6
161.02400	7.1
161.04382	1.9
163.00276	2.3
164.01059	4.1
169.01410	1.9
177.01866	3.6
178.99707	7.3
179.05577	3.0
179.10669	4.4
186.01909	8.3
187.00305	3.0
187.02383	1.7
187.04025	2.7
189.01894	7.5
191.03421	1.5
212.03459	7.8
214.01402	38.3
215.01727	2.8
216.04160	1.5
217.01385	3.4
227.03448	5.2
236.03406	2.2
241.04958	2.2
243.02904	5.4
254.04594	3.5
255.02975	7.8
257.04340	2.7
267.02951	2.7
269.04587	3.6
271.02512	19.9
272.02872	2.9
278.04440	1.6
283.02472	2.0
285.04092	15.6
294.04062	2.4
295.02365	2.8
296.05664	2.3
300.02768	100.0
301.03189	8.5
301.06155	1.5
313.03638	8.8
322.03543	20.8
340.04630	31.1
341.07169	8.2
341.10526	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	4.2
59.01254	11.8
64.41302	1.4
68.17210	1.4
69.76709	5.0
71.01244	10.6
72.99194	6.5
73.02811	3.9
75.00747	49.8
77.36411	1.2
81.03342	1.5
83.01255	3.3
85.02824	26.8
87.00752	4.3
89.02305	5.6
89.03845	2.7
99.00760	3.6
101.02323	3.3
111.00743	6.9
113.02364	1.5
117.03332	9.5
119.03425	2.9
129.01851	11.8
134.03635	100.0
135.04517	7.9
136.04669	1.4
143.03419	5.7
147.02901	14.5
149.05972	5.4
161.02405	2.6
161.04460	4.7
162.72948	1.5
163.03786	1.5
165.03966	62.2
166.04361	1.8
179.03517	3.5
179.05545	78.6
180.05948	1.5
193.05000	86.2
194.05333	4.8
205.03502	7.0
223.04543	23.0
341.08627	13.5
342.09045	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1088
Annotation	Trehalose
Peak:m/z	Relative Intensity
57.03316	1.2
58.00454	5.0
59.01250	100.0
69.67628	2.8
69.68018	2.0
71.01254	65.1
72.01588	0.9
72.99175	3.6
73.02812	2.7
81.26718	1.1
83.01204	1.5
85.02829	11.7
87.00761	2.8
89.02316	52.8
95.01250	3.5
98.20512	2.2
100.60535	1.2
101.02319	24.2
102.02679	1.3
103.30878	1.0
113.02334	19.2
119.03387	15.3
131.03387	2.3
143.03403	3.0
160.83017	1.1
161.04480	4.3
179.05553	14.7
249.46730	1.1
341.10849	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	341.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84390	0.1
57.03325	0.2
59.01250	2.0
64.99895	0.2
65.00217	0.6
65.03826	0.2
67.01786	0.3
68.99685	0.2
71.01254	1.7
77.03828	0.3
81.03347	0.3
83.01260	0.2
85.02781	0.4
89.02321	1.5
89.03851	1.4
91.01765	1.0
91.05418	0.3
93.03327	1.0
95.01238	0.2
95.04899	2.4
101.02328	0.7
103.05427	1.4
105.03336	0.9
107.04912	0.2
108.02027	0.9
109.02836	25.3
110.03152	1.1
113.02342	0.6
115.05421	0.3
117.03346	1.7
119.03383	0.6
119.04906	2.7
121.02830	1.8
122.03643	1.1
123.04411	22.8
124.04758	0.9
131.03423	0.2
131.04892	0.6
131.69543	0.2
132.01994	0.2
133.02850	5.6
134.03600	0.7
135.00780	0.8
135.04414	0.6
137.02354	0.5
139.03938	0.3
143.04924	0.2
145.02884	2.1
145.40627	0.2
146.03574	0.5
147.04424	7.4
148.01558	0.8
148.04826	0.2
149.02312	1.3
150.03143	1.4
151.03911	10.4
152.04251	0.5
159.04434	2.4
160.01573	0.2
160.04813	0.2
161.01051	0.3
161.02348	4.9
161.04451	0.2
161.05919	0.3
162.03151	1.7
163.03946	1.3
164.04701	21.5
165.05023	0.8
173.02348	0.5
174.66336	0.2
175.03912	0.8
176.01108	1.9
177.01854	36.3
178.02193	1.7
179.05699	0.8
179.07054	19.9
180.07410	1.0
185.02376	0.2
187.03915	2.8
188.01093	0.5
188.04654	0.7
189.01862	82.7
190.02597	20.1
191.03423	15.3
192.03841	0.9
201.01851	0.7
203.03447	7.8
204.03851	0.4
205.04933	0.2
212.04486	0.2
213.01912	0.3
213.05501	0.3
214.02556	0.2
215.03374	0.4
216.00595	11.3
217.01369	42.0
218.01927	4.4
219.02939	16.1
220.03223	1.0
222.01642	0.6
223.07478	0.2
225.05569	0.2
227.07191	0.8
229.01384	0.3
229.08635	0.7
231.02951	14.2
232.03477	1.7
233.04523	1.6
237.05063	0.2
251.07123	0.2
253.05083	0.3
255.06610	0.5
264.04251	0.3
265.04959	0.3
277.04904	0.3
279.03149	0.2
279.06522	0.3
281.04568	3.5
282.05154	0.4
295.06125	0.4
297.07697	2.8
298.07999	0.3
305.04620	0.4
323.05573	2.0
324.05890	0.3
341.06647	100.0
342.06979	11.4
361.45743	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.124
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
59.01256	6.7
70.06099	1.9
71.01250	5.6
85.02835	0.9
87.00813	0.4
89.02319	6.9
101.02301	2.6
105.21284	0.4
109.02834	0.4
113.02359	2.0
119.03363	2.1
123.04350	0.5
132.77493	0.4
135.04395	1.1
137.05949	0.8
143.03406	0.7
151.03882	0.4
161.02290	0.7
161.04462	0.8
163.03941	0.8
164.04703	100.0
165.05042	5.1
177.01891	0.5
179.07056	88.0
180.07401	4.4
182.39801	0.5
189.01849	1.2
209.69049	0.4
246.90758	0.4
283.09647	0.6
311.08893	0.4
341.06592	1.3
341.11145	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	341.1242
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
57.03323	24.1
58.03650	0.4
59.01252	7.2
70.70387	0.8
70.70734	0.4
71.01252	7.4
73.02819	0.8
75.00733	1.4
78.88192	0.4
83.01270	0.5
85.02820	1.4
87.00726	1.1
89.02321	6.8
93.03326	1.2
99.00788	0.6
101.02335	3.0
109.02849	2.2
113.02329	2.6
117.03357	0.6
119.03423	2.0
121.02843	21.8
122.03173	0.5
131.03409	0.5
134.03615	4.3
135.04456	0.5
137.02364	0.8
143.03426	1.1
147.02890	0.7
151.00285	1.6
161.02316	0.7
161.04462	0.8
163.03889	1.8
164.04741	1.9
165.03938	3.4
178.06290	0.8
179.05650	4.8
179.07054	100.0
180.05829	0.6
180.07393	4.9
193.04994	4.5
194.05170	0.4
341.04950	1.3
341.11234	2.6
342.05582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59760	1.1
55.72019	1.0
57.03310	1.4
58.00449	2.2
58.65753	1.0
59.01253	47.8
67.01768	11.9
71.01254	40.5
71.24518	1.9
72.99174	2.7
73.75488	1.0
76.66415	0.9
81.03345	1.9
83.01260	2.8
83.39259	1.2
85.02808	5.9
87.00758	2.1
89.02322	42.9
93.03329	1.4
95.01259	10.1
101.02328	18.1
101.80045	1.0
107.01264	2.9
108.02058	15.5
109.00482	1.1
109.02830	2.4
109.99938	1.2
111.00770	9.7
112.98663	1.4
113.02330	15.0
119.03397	14.7
119.04866	2.3
121.02863	1.3
123.00776	100.0
123.04400	14.1
124.01126	2.1
124.04820	1.1
125.02342	3.6
128.21219	1.1
131.03395	2.3
131.20662	1.0
134.03621	10.0
135.04417	2.5
138.03131	51.9
139.00273	1.8
139.03410	1.9
143.03400	3.4
148.05203	83.8
149.04477	1.4
149.05600	3.3
151.00285	1.2
156.62856	1.0
161.02330	2.6
161.04463	5.1
161.05705	0.9
162.03142	60.4
163.03929	10.5
163.07559	39.3
163.08936	2.1
164.07933	2.7
176.04703	1.6
177.05496	53.9
178.05846	2.5
179.05553	16.2
179.07013	1.9
191.07133	1.5
202.06247	1.7
217.08612	4.0
247.45886	1.1
268.47031	1.2
326.11514	3.2
326.90643	1.1
341.10623	12.9
341.13922	52.8
341.23059	3.7
342.14542	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	341.1392
Annotation	Wulignan A2
Peak:m/z	Relative Intensity
59.01254	4.2
69.40507	1.7
69.40927	0.9
71.01260	3.0
73.02834	0.4
83.01231	0.4
85.02842	0.3
87.00788	0.4
89.02323	4.2
91.05412	1.2
98.19855	0.8
101.02319	1.7
113.02324	1.4
117.03336	0.4
119.03377	1.4
120.83276	0.3
121.02804	0.4
123.65654	0.5
127.84758	0.3
131.04893	0.5
135.04411	1.0
135.84563	0.3
137.02368	0.6
143.03339	0.4
145.02872	3.3
146.03613	0.9
161.04457	0.6
165.01863	1.8
168.86838	0.4
171.08092	0.4
175.07562	1.3
179.03404	1.0
179.05507	1.7
180.05759	0.9
181.08652	0.5
185.02304	0.4
193.06541	0.6
195.04477	0.4
196.05116	0.7
199.07634	0.3
207.08080	0.7
209.05858	0.9
210.06808	1.2
211.07603	0.7
222.06834	1.0
223.07552	0.8
224.04727	6.1
224.08357	1.2
225.05313	0.6
225.09151	1.9
227.10701	1.8
227.62756	0.4
236.08347	0.8
237.05527	1.0
237.09055	0.6
238.06313	9.2
239.06783	1.1
239.10751	3.6
240.11377	0.5
241.08698	4.0
242.09117	0.6
250.06380	0.7
251.07100	1.3
252.04242	1.6
252.07854	1.4
253.04942	0.6
253.08650	1.3
254.09422	2.5
255.10225	10.3
256.10437	0.7
262.06131	0.4
263.07141	0.6
264.07950	0.4
265.05228	0.3
265.08762	2.0
266.05844	5.8
266.08966	0.6
267.06464	0.5
267.10242	2.0
268.20480	0.4
269.11826	4.8
270.05356	2.1
270.12573	3.1
273.11310	0.5
280.07248	0.5
281.08102	1.1
282.08957	2.0
283.09760	53.2
284.10101	4.4
293.08356	0.7
294.08881	2.5
295.09763	6.1
296.10443	3.9
297.11246	2.8
298.12076	5.1
299.12573	0.6
309.11325	2.3
310.08414	1.8
310.12097	3.4
311.09250	100.0
312.09564	9.6
312.13004	0.6
325.10809	16.2
326.11569	76.3
327.11938	7.3
329.33469	0.4
341.13934	82.3
342.10498	0.8
342.14331	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	341.1395
Annotation	Maoecrystal P
Peak:m/z	Relative Intensity
59.01258	7.2
63.99096	0.5
70.40332	0.5
70.40682	1.2
71.01258	5.6
85.02804	0.8
87.00714	0.5
89.01835	0.5
89.02328	6.3
95.12109	0.4
101.02322	2.2
108.02050	1.7
109.48125	0.4
113.02374	2.0
119.03383	2.3
121.02828	1.1
122.03629	0.6
123.04391	1.4
131.03389	0.5
133.06503	4.6
136.05127	0.5
143.03287	0.4
146.03618	0.5
147.04414	1.6
148.05165	0.9
149.02277	2.0
149.05887	0.5
150.03131	6.9
150.89357	0.5
159.04424	0.5
161.06000	53.2
162.06789	50.5
162.07883	0.3
163.07123	2.3
164.04736	3.0
165.05516	3.7
174.06805	0.5
175.03900	0.7
175.07539	1.4
176.04729	8.8
176.08337	8.1
177.05396	1.3
177.09131	4.9
179.05528	2.5
189.05586	0.9
190.06302	18.4
191.06587	1.6
194.05786	5.9
202.06305	0.6
203.07060	1.4
204.07881	4.4
205.08653	100.0
206.08987	7.1
208.07364	9.8
209.07668	0.8
217.08659	1.9
265.08780	1.4
281.08292	1.8
282.08942	3.7
283.09503	0.5
293.08264	2.7
294.67914	0.4
296.10519	0.6
297.11407	3.0
298.12213	1.0
307.62018	0.4
308.10580	3.3
309.11111	0.5
311.12836	0.8
313.11023	0.5
313.14383	4.4
314.14871	0.5
323.12927	1.3
341.10803	1.9
341.14133	13.7
341.23380	0.5
342.14279	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1394
Annotation	(-)-Chicanine
Peak:m/z	Relative Intensity
52.32299	0.5
58.00439	0.8
59.01254	15.4
64.20433	0.6
70.83161	1.6
70.87608	0.6
71.01256	12.0
72.99191	0.7
83.01260	0.9
84.55835	0.6
85.02863	1.6
87.00775	1.4
89.01817	1.1
89.02325	14.5
93.03259	0.5
95.01270	0.9
101.02332	5.8
104.97401	0.6
108.02040	1.1
109.02842	2.4
112.54578	0.5
113.02341	4.0
119.03397	5.4
121.02839	2.3
129.03358	0.9
131.03426	1.2
131.04929	0.9
134.03658	3.9
135.04408	4.1
135.14291	0.6
137.02396	0.6
137.03661	0.5
143.03416	1.1
143.04951	1.0
145.02852	10.7
146.03624	2.2
147.04428	21.6
148.04767	1.4
149.04517	0.6
149.06015	2.9
157.06433	0.7
159.04422	3.4
160.05211	0.7
161.04457	1.8
165.01834	0.6
165.05450	3.8
171.04465	3.2
172.05260	6.3
173.05943	2.2
175.03880	0.7
179.05557	6.3
187.03902	1.2
188.73509	0.7
189.05458	1.0
190.06377	0.9
201.05482	0.9
203.07059	1.2
203.34290	0.6
217.08684	0.7
219.08060	1.3
221.06058	0.9
223.07588	1.9
228.04140	0.6
229.46150	0.8
231.08125	1.0
233.06171	0.7
234.06847	0.6
237.09152	1.7
246.06778	1.4
247.07658	4.6
248.04993	0.7
248.08199	1.0
249.05486	1.3
249.09233	0.9
250.06352	1.2
251.06932	1.1
253.16301	11.1
254.05847	1.3
259.07593	1.3
261.05539	1.7
262.06342	0.8
263.07089	1.9
264.07840	2.4
265.08685	7.3
267.06619	2.1
268.07401	0.7
273.05661	0.6
274.06293	1.3
275.07135	13.8
276.07797	5.9
277.05103	2.0
277.08627	2.5
278.05890	3.2
278.08780	0.6
279.06403	0.8
279.10349	0.8
280.07376	0.7
281.08200	6.5
282.09052	2.8
283.09683	1.1
290.09406	0.7
291.06726	1.4
291.10150	0.7
292.07394	4.4
292.10629	1.2
293.08212	40.9
294.08643	5.5
295.09698	1.4
296.07147	1.3
296.10474	6.4
297.11304	7.6
298.11539	0.8
303.85794	0.6
307.09625	3.3
308.10541	23.2
309.07687	1.2
309.10715	2.8
310.08618	3.1
311.05865	0.5
311.09229	16.4
311.12915	18.8
312.09778	1.3
312.13254	2.4
323.12872	100.0
324.13208	13.2
325.10730	5.7
326.11554	6.3
341.10617	6.3
341.13947	13.5
341.18118	2.8
342.10724	1.1
342.14435	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03348	1.2
58.00481	1.2
59.01253	26.2
63.59031	0.4
65.36164	0.4
69.65845	2.7
71.01257	20.4
72.01617	0.5
72.99210	1.5
73.01081	1.6
73.02857	0.6
83.01273	0.8
83.72178	0.4
85.02804	3.2
87.00800	1.5
89.01759	1.1
89.02320	23.4
92.84142	0.5
95.01303	1.0
96.95964	0.4
101.02328	11.0
107.08392	0.4
113.02340	8.3
113.03054	0.6
119.03392	8.2
123.00794	0.6
125.02315	0.5
131.03394	0.9
132.63623	0.4
143.03395	2.1
149.04506	1.0
161.04494	3.2
161.05843	0.6
162.06674	0.8
171.08516	0.4
179.05553	10.5
179.06964	0.4
180.06006	0.4
183.01167	0.9
205.08707	0.6
207.55440	0.5
235.15230	6.7
236.15393	0.4
253.16301	100.0
254.16629	8.0
283.09671	0.5
297.20728	0.5
311.09280	0.6
326.11481	1.0
341.11243	10.1
341.17865	55.3
341.26797	1.2
342.11221	0.8
342.18213	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13070	1.7
56.99667	1.7
58.00484	3.6
59.01253	95.9
60.01564	1.6
69.03323	14.1
69.79456	7.4
70.81551	1.3
71.01254	75.4
72.01600	2.4
72.99170	5.8
73.02826	1.9
83.01241	3.0
84.02040	16.5
85.02824	12.4
85.82896	1.4
87.00762	6.4
89.02319	100.0
90.02659	1.6
95.01277	4.5
97.02843	5.2
99.04381	2.7
101.02316	36.4
109.02776	1.6
113.02328	30.8
119.03390	34.6
119.04762	2.2
119.08511	2.1
122.71613	1.5
124.54614	1.6
125.02345	2.6
131.03404	5.3
137.02364	2.2
137.05951	1.6
137.09621	18.0
143.03406	9.3
148.98311	1.7
149.04486	4.2
151.03847	2.4
161.04449	7.2
171.10181	62.2
172.10527	3.4
179.05551	35.4
179.07002	1.7
180.05890	2.0
194.02620	1.6
233.53485	1.9
253.16344	24.3
254.16631	2.7
291.19385	1.7
311.09198	2.5
311.25931	6.2
326.11569	5.5
341.06680	3.2
341.10593	30.0
341.14139	11.3
341.18213	9.6
341.23288	99.8
341.27054	25.4
342.11160	4.6
342.18460	2.0
342.23639	11.6
342.27420	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	341.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44846	0.4
53.60554	0.4
57.03312	0.8
58.80381	0.4
59.01252	6.2
60.29071	0.4
65.78966	0.4
69.03320	2.9
69.34548	0.9
69.34956	2.2
71.01247	4.1
80.74596	0.4
81.03297	0.4
83.01157	0.4
83.04893	1.5
84.02055	2.5
85.02823	0.7
89.02325	3.5
97.02845	1.0
97.06468	12.9
99.04417	0.7
101.02300	1.1
111.08012	0.5
113.02309	1.4
119.03389	1.9
119.08559	0.5
125.09621	1.7
137.09653	1.6
149.13278	0.9
153.09129	0.5
161.04466	0.5
165.12756	0.9
171.10207	9.6
172.10591	0.5
175.11192	0.9
177.12793	0.9
179.05527	1.4
185.11769	0.6
193.12279	17.4
194.12614	1.4
197.15355	1.0
211.13393	3.2
220.82616	0.5
221.11705	1.0
225.14923	24.5
226.15234	2.2
243.15991	10.2
244.16257	1.2
253.14099	0.8
253.16525	2.4
291.19595	1.5
295.92648	0.4
305.21283	0.7
311.09399	0.9
319.89810	0.4
326.11606	0.8
333.11801	0.5
341.23318	100.0
342.23663	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	343.037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01595	2.8
61.17821	2.0
69.92852	1.8
71.52633	2.1
76.14816	1.7
77.06141	1.8
126.32507	1.8
137.38870	1.7
157.03354	2.6
159.01407	4.2
188.71751	1.9
201.02501	61.3
202.02626	4.1
244.04147	1.7
285.03979	2.0
313.03421	3.7
319.13007	2.0
343.08060	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58773	0.9
55.01759	1.2
56.59204	1.1
57.03329	0.9
58.00475	2.0
59.01254	42.2
69.03316	0.9
69.96194	3.9
71.01257	30.9
72.99187	3.4
83.01264	2.4
85.02802	5.1
87.00727	1.4
89.02320	24.3
93.03349	4.0
95.01266	1.9
99.00815	1.0
101.02330	20.9
108.02046	12.9
109.02844	34.5
111.00756	2.6
113.02338	9.9
114.60387	1.0
115.00255	5.3
119.03393	13.1
119.04900	1.9
121.02839	4.3
122.03612	6.5
123.00763	1.1
123.04394	4.3
125.02327	2.9
126.82713	0.9
127.74091	1.1
133.06433	1.0
135.04427	4.7
136.05217	6.8
137.02377	4.9
139.00269	1.1
139.03865	1.7
143.03360	1.0
145.06482	2.5
147.04469	1.8
148.05174	5.9
149.02396	1.7
151.03917	1.8
153.01799	2.7
154.02641	2.2
161.06013	1.4
163.03967	2.3
163.07550	5.4
164.03358	1.1
165.01881	1.4
166.02663	1.1
166.06255	4.0
177.01779	1.8
179.03377	1.5
179.05614	1.4
180.04242	6.8
181.05005	12.9
181.08636	6.9
185.06097	1.3
197.05901	1.3
226.06320	16.4
227.07048	12.4
239.07011	1.8
253.08667	3.1
255.10251	100.0
256.10590	7.9
256.60040	0.9
300.05161	1.0
313.03522	2.7
343.08334	10.6
343.13693	5.0
344.07825	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	343.0822
Annotation	Dalspinosin
Peak:m/z	Relative Intensity
53.06982	0.5
59.01249	7.1
63.65290	0.5
65.00201	0.7
71.01269	1.6
71.55023	0.6
83.01225	0.8
85.02845	1.2
89.02339	1.3
93.03365	0.6
95.01317	0.8
101.02348	0.6
109.02868	1.7
111.00858	0.8
113.02356	0.7
119.03421	0.5
121.02863	1.3
137.02382	1.1
149.02428	0.8
151.00282	0.9
151.03984	0.6
161.02361	0.5
163.03871	0.5
165.01834	1.3
177.01892	0.6
179.58963	0.5
186.03107	0.6
189.98938	0.5
198.03166	2.4
200.01036	0.7
201.01939	1.1
202.02686	0.8
210.03203	3.1
211.03777	0.7
213.05519	1.1
213.54399	0.6
214.02666	2.6
225.01883	0.5
225.05545	2.2
226.02724	7.3
227.03360	2.1
229.01341	1.4
229.05031	0.7
230.02112	1.3
239.03276	0.8
241.05083	1.0
242.02196	11.6
243.02666	0.9
245.04539	0.6
253.01427	1.5
254.02177	4.2
255.02724	1.4
257.04254	0.8
268.03848	0.8
269.00797	1.0
269.04510	1.2
270.01697	19.4
271.02072	0.9
281.01028	1.6
282.01852	1.5
283.02353	2.5
283.19278	0.6
284.03201	1.6
285.04059	22.0
286.04422	1.6
297.00720	0.9
297.04037	3.4
298.01230	5.4
299.01642	0.6
299.05576	2.6
301.20166	4.3
302.20358	0.6
312.02759	1.2
313.03546	89.7
314.03903	7.6
315.05112	3.6
327.05096	6.4
328.05875	23.5
329.06247	2.2
343.08215	100.0
343.21304	2.1
344.08603	9.8
344.12616	1.0
346.17026	0.5
364.12314	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.9
58.00459	3.9
59.01254	79.2
60.01589	1.5
69.78279	4.6
71.01256	63.4
71.40545	0.8
72.99172	5.0
73.02828	1.8
83.01265	3.7
85.02831	10.4
87.00776	2.1
89.02321	59.3
93.03336	3.6
95.01261	3.7
97.02840	1.0
98.20470	1.3
99.00765	1.3
101.02328	38.4
102.02644	1.4
107.04886	1.0
108.02063	12.0
109.02841	26.4
113.02337	20.7
115.00255	4.1
117.03278	1.2
119.02583	1.7
119.03397	27.8
119.04239	1.5
119.04867	1.1
121.02834	2.6
122.03642	5.4
123.04388	2.8
124.01559	1.3
125.02367	2.5
131.03441	2.0
133.06432	1.5
135.04411	4.8
136.05219	4.4
137.02353	5.0
139.00240	1.1
143.03436	1.9
145.02814	0.9
145.06499	1.7
147.04471	1.2
148.05202	15.4
149.04489	2.4
151.28532	1.0
161.02359	1.3
161.04456	2.0
161.05867	1.2
163.03952	4.4
163.07558	17.4
164.07895	1.0
165.01779	1.2
166.06247	4.1
177.01741	1.2
179.05531	2.0
180.04234	6.4
181.01607	1.6
181.04994	6.9
181.08575	5.7
190.11063	0.9
191.03337	1.1
213.09402	0.9
213.11563	1.1
226.06305	14.3
227.07047	12.9
239.07240	1.0
244.31100	1.0
253.08611	2.3
255.10268	100.0
256.10599	8.4
285.04004	0.9
299.05612	1.3
301.41849	0.9
306.77219	1.0
313.03525	1.9
326.06625	2.4
343.07770	11.9
343.13486	5.0
344.07602	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	343.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.7
57.03322	1.7
58.00461	3.7
59.01254	100.0
60.01588	1.0
60.80321	1.2
65.99720	1.3
71.01258	71.9
72.99180	6.4
73.02821	2.5
75.00777	0.9
76.62844	0.9
83.01267	4.8
83.91829	1.0
85.02824	13.1
87.00759	2.6
89.02319	66.3
93.67664	0.8
95.01269	5.4
99.00782	2.3
101.02329	47.0
102.02694	1.2
102.75451	0.9
107.04977	1.0
109.02865	5.4
109.25334	1.0
111.00751	1.5
111.04383	0.8
112.98752	0.9
113.01530	1.1
113.02332	26.5
119.03396	30.4
121.02855	2.6
122.03651	6.1
123.00761	2.9
123.04440	3.7
124.01627	1.9
125.02345	6.3
131.03406	1.8
135.04419	3.7
136.05205	16.5
137.02357	6.2
137.05954	2.6
137.21802	1.2
138.03108	1.8
139.00308	2.6
139.03920	1.3
143.03438	2.1
148.05214	15.8
149.02354	3.3
149.04457	1.6
151.03867	1.6
152.01047	1.2
153.01831	3.8
161.02350	2.7
161.04491	1.4
163.03917	5.8
163.07553	14.6
165.01927	1.5
166.02515	1.1
166.06296	5.5
167.03442	1.9
172.03911	1.5
173.02426	0.9
175.04077	1.0
176.03384	2.3
179.03441	2.1
179.05547	1.7
179.07066	1.2
180.04225	25.2
181.05013	6.3
181.08627	40.0
182.08905	2.9
191.03375	1.0
195.02878	1.8
204.02895	1.2
205.03639	1.5
206.04504	1.1
231.06567	1.1
299.05829	1.2
313.03619	1.4
323.92737	1.0
329.84784	1.0
343.06708	1.3
343.10260	21.6
343.14105	10.2
344.07495	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	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93208	0.6
59.01253	100.0
60.01583	1.1
65.00238	0.7
69.18213	6.2
70.61707	0.6
71.01257	5.3
73.01025	0.8
79.04642	0.7
83.01299	0.7
89.02322	5.9
101.02358	2.1
104.49308	0.6
113.02342	1.9
114.03226	0.6
119.03387	3.0
123.04382	0.8
137.29805	0.7
141.52316	0.7
143.03482	0.6
151.00369	1.3
161.04446	1.2
163.07561	0.7
178.99857	0.8
179.05576	1.0
181.08626	3.6
189.81752	0.7
190.31537	0.6
226.12852	0.7
301.03699	1.2
304.78848	0.7
313.03549	1.4
343.08270	1.5
343.14313	0.7
343.21411	1.0
366.52380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01602	1.1
60.97121	0.6
61.98045	0.7
65.00197	1.5
71.01256	5.0
71.54671	0.7
80.61664	0.6
82.19501	0.6
83.01260	1.2
83.10548	0.7
89.02319	5.0
101.02335	2.3
107.01294	2.4
109.02850	1.1
113.02338	1.4
114.73781	0.6
119.03458	2.1
121.02869	0.9
125.02382	1.2
135.04434	0.9
151.00276	6.9
178.99806	3.1
179.03470	0.9
179.05521	1.1
195.76242	0.6
251.98177	0.7
300.02676	1.2
313.03613	1.7
328.06067	1.0
343.07916	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	343.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01591	0.7
69.52082	0.4
69.58269	2.5
71.01256	5.0
72.99191	0.6
77.47958	0.3
80.40710	0.3
85.02839	1.4
89.02328	6.5
98.20492	0.7
101.02325	2.0
113.02369	1.5
119.03378	1.9
121.02894	1.9
135.79320	0.4
135.95161	0.4
161.04584	0.4
164.04709	0.6
179.05576	1.0
238.06631	0.4
243.91818	0.4
258.58289	0.4
295.06277	1.2
299.09509	0.5
313.03616	0.5
343.08368	1.5
343.12225	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83528	0.3
57.03323	2.3
59.01252	6.0
61.98703	0.4
65.70515	0.3
67.01753	2.4
71.01245	0.9
71.01920	0.4
71.02267	0.6
77.23187	0.2
83.01231	0.6
85.02818	2.7
87.00755	17.4
88.01060	0.3
89.02312	0.8
90.30383	0.3
95.01215	0.3
101.02338	0.5
102.70027	0.2
108.02013	0.3
109.02845	0.6
111.00766	100.0
112.01112	2.6
120.50449	0.2
121.02834	0.4
122.57562	0.3
123.00751	0.6
124.01578	0.6
134.03568	0.4
136.01556	3.2
137.02367	0.6
146.53793	0.3
148.05167	0.4
151.03885	3.0
154.99712	0.3
165.05519	0.9
173.00827	4.6
175.07547	0.4
185.46907	0.3
198.03331	0.3
214.61594	0.3
226.02652	0.3
236.29875	0.3
252.20952	0.3
270.01663	0.4
270.30280	0.3
285.04150	0.7
313.03537	2.4
328.05899	0.7
328.13385	1.1
343.08292	3.0
343.14932	3.1
343.21240	0.4
344.15427	0.4
354.80197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64975	1.0
52.54478	1.1
59.01252	22.6
71.01245	3.8
71.21207	1.2
71.53514	1.4
71.53884	1.1
83.01225	1.2
89.02330	4.7
98.40366	1.1
101.02308	3.0
106.99791	1.1
108.02059	1.4
109.02846	4.0
111.00742	1.7
113.02326	1.8
119.03358	1.4
121.02863	2.8
123.00797	2.7
123.04366	2.2
124.01540	3.0
134.03616	2.4
136.00510	1.9
136.01569	38.6
137.02301	5.0
148.05217	4.0
149.05974	3.4
151.03926	37.2
159.04460	1.3
160.05237	1.9
161.06020	1.5
163.03918	3.4
163.07602	2.1
165.05429	4.3
165.06738	1.2
165.65807	1.2
169.06487	4.4
171.10164	5.0
175.07587	6.7
176.08337	1.3
178.06268	3.6
184.88660	1.3
188.04480	1.3
191.07034	1.6
193.08650	1.4
197.06032	41.8
198.06375	3.2
203.07036	1.7
225.05539	100.0
226.05905	8.0
240.07896	61.1
241.08321	5.8
242.02173	1.9
255.10271	37.5
256.10611	4.3
258.70612	1.4
270.01746	3.8
285.04004	3.0
295.09821	1.8
310.11984	2.6
313.03546	16.4
314.03894	1.2
325.14392	3.1
328.06104	6.9
328.13095	6.4
329.06216	1.7
343.08356	18.6
343.11975	2.2
343.15436	23.4
343.24826	6.3
343.28641	2.9
344.08456	3.3
344.15668	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	343.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25288	0.7
57.34281	0.8
59.01251	17.4
60.01586	0.8
68.95264	0.7
69.03334	1.4
69.18560	2.6
69.18979	5.0
71.01263	3.6
72.49346	0.7
86.94124	0.7
89.02315	3.2
89.22762	0.9
95.04902	1.5
101.02337	1.3
108.02087	0.8
109.02804	1.0
111.00740	0.8
113.02331	8.0
121.02838	4.7
123.00757	1.2
124.01604	1.1
135.04411	15.7
136.01593	1.4
148.05196	11.6
149.02345	42.9
149.05904	1.8
150.02716	2.0
151.03886	3.2
162.97546	0.8
163.03923	1.7
163.07545	6.0
164.04701	100.0
165.05064	4.7
179.07057	57.2
180.07449	2.6
211.16870	1.9
225.05402	1.0
226.02603	1.0
235.20694	4.1
237.22395	1.6
242.02133	1.8
270.01740	2.7
278.64795	0.8
281.21228	25.6
282.21567	1.9
285.04047	4.8
298.01422	1.0
313.03552	14.7
313.06866	1.3
314.03845	1.7
325.20172	7.2
327.05038	1.4
328.06033	4.1
328.13129	0.9
343.08209	16.8
343.11792	1.8
343.15222	2.1
343.21240	11.1
343.24902	1.7
343.28439	1.4
344.08493	2.7
347.93481	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2125
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03319	4.8
59.00985	0.8
59.01252	7.8
69.03308	0.8
71.01262	2.1
71.53725	0.5
72.99211	0.7
80.02567	0.5
80.39233	0.6
83.04904	1.2
87.00735	0.6
89.02321	0.9
95.04885	1.1
96.95905	0.9
97.06474	15.6
101.02324	1.1
109.02811	1.1
113.02380	0.9
115.73102	0.7
119.03426	0.9
121.02853	1.3
123.00801	1.2
123.04424	1.0
123.08055	7.6
125.09614	93.3
126.09963	3.8
127.11185	2.5
135.04439	1.1
136.01520	2.8
137.02345	1.2
139.11171	2.0
143.10667	0.8
149.02361	1.7
151.03917	2.4
155.10706	2.3
159.10208	0.7
163.07642	0.7
164.04715	5.0
169.08568	1.9
169.12270	1.8
171.10185	1.0
173.11751	40.2
174.12094	2.0
175.03978	0.7
175.07579	0.7
176.08301	1.6
179.07066	2.5
187.09685	17.7
187.11377	1.0
198.03247	0.7
201.01912	0.6
201.11241	0.9
210.03220	1.0
213.05339	0.6
226.02637	1.9
230.01979	0.6
233.38762	0.6
241.04973	1.0
242.02184	2.9
254.02089	0.7
263.23715	0.9
270.01682	5.2
271.02115	0.9
281.21265	7.6
285.04059	6.2
286.04211	1.0
297.03903	0.9
298.01318	1.2
299.22208	0.8
313.03561	22.1
313.07022	0.8
314.03955	3.5
325.14407	1.0
325.20169	10.0
325.23553	0.7
326.20554	1.1
327.05057	1.6
328.06073	5.6
328.09616	1.2
328.13068	1.8
329.06238	1.0
343.04135	1.4
343.08212	25.8
343.15332	3.0
343.21237	100.0
343.24625	5.2
344.08643	3.4
344.21588	11.1
344.25232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
50.48303	0.4
57.03320	0.5
59.01250	6.1
63.58411	0.5
69.03308	1.3
70.45484	1.0
71.01242	1.0
75.03043	0.4
81.03304	0.7
83.04890	1.6
87.05224	0.5
89.02323	1.4
97.06468	1.3
98.20408	0.5
99.08039	10.6
101.02365	0.5
119.03394	0.6
121.02776	0.6
121.10127	0.5
122.03601	0.6
125.09610	1.8
127.11230	0.5
137.09619	1.0
139.11142	0.7
149.13260	0.8
151.03943	0.6
161.05963	3.0
162.06546	2.9
163.06967	2.2
164.07362	1.8
165.12738	1.1
171.10196	7.5
175.11185	2.1
176.08354	0.9
185.11758	0.6
190.06226	0.7
192.06908	0.8
193.12274	19.7
194.12595	1.4
195.04420	0.9
197.15353	0.8
205.08627	3.4
206.08971	5.0
207.09219	4.3
208.07321	0.5
209.07744	0.7
211.13370	3.0
212.04697	1.0
213.05493	1.6
225.14906	25.2
226.02518	0.7
226.15260	1.3
241.05020	3.5
242.02150	0.7
243.15997	9.2
256.07404	1.1
270.01770	2.4
285.04065	2.3
293.21259	2.0
298.01239	1.1
311.22272	0.7
313.03506	8.7
314.03812	1.6
315.15015	0.8
327.04849	0.9
328.05951	3.4
328.13086	1.9
343.08282	9.7
343.15985	4.7
343.24872	100.0
344.08395	1.3
344.21289	1.0
344.25241	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	343.249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	14.7
69.03310	1.0
71.01253	2.5
71.04845	0.7
84.58556	0.7
89.02320	2.5
93.09579	0.9
95.01257	1.3
96.95903	1.0
97.06477	2.3
99.08048	5.2
101.02328	1.2
108.02037	1.5
109.02862	4.8
111.00787	1.1
111.08062	0.7
113.02287	1.3
119.03403	1.0
119.74633	0.8
121.02828	2.1
121.10121	6.3
123.00778	4.8
124.01548	4.8
125.09616	1.2
127.11172	1.8
128.17842	0.8
133.06477	0.8
134.03630	1.1
136.01570	21.6
137.02359	4.9
137.09637	2.4
139.11185	1.9
148.05179	4.3
149.06017	1.4
151.00259	1.2
151.03920	24.8
152.01022	1.1
153.09174	1.1
160.05200	1.0
161.06007	1.0
163.03896	1.1
163.07573	2.9
164.04796	0.8
165.05521	4.8
165.09113	1.3
171.10191	42.9
172.10551	1.6
175.07550	3.9
176.08287	1.4
187.07591	0.8
191.07027	1.3
193.12239	7.3
203.07278	0.8
211.13354	1.0
225.14906	12.4
226.02551	1.1
226.15100	0.9
242.02148	2.6
243.15988	3.5
248.92114	0.8
270.01825	3.8
285.04141	3.9
293.21069	3.6
295.09775	1.7
297.24481	5.4
298.01157	1.0
310.12030	1.5
313.03522	15.8
313.10843	0.9
314.03702	1.6
325.14484	1.7
327.05035	1.4
328.05847	3.4
328.13159	6.0
329.13428	0.9
343.04153	1.2
343.08356	18.8
343.15607	21.2
343.24832	100.0
343.28586	55.2
344.08551	2.2
344.15814	4.0
344.25143	8.2
344.28946	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	343.249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	14.7
69.03310	1.0
71.01253	2.5
71.04845	0.7
84.58556	0.7
89.02320	2.5
93.09579	0.9
95.01257	1.3
96.95903	1.0
97.06477	2.3
99.08048	5.2
101.02328	1.2
108.02037	1.5
109.02862	4.8
111.00787	1.1
111.08062	0.7
113.02287	1.3
119.03403	1.0
119.74633	0.8
121.02828	2.1
121.10121	6.3
123.00778	4.8
124.01548	4.8
125.09616	1.2
127.11172	1.8
128.17842	0.8
133.06477	0.8
134.03630	1.1
136.01570	21.6
137.02359	4.9
137.09637	2.4
139.11185	1.9
148.05179	4.3
149.06017	1.4
151.00259	1.2
151.03920	24.8
152.01022	1.1
153.09174	1.1
160.05200	1.0
161.06007	1.0
163.03896	1.1
163.07573	2.9
164.04796	0.8
165.05521	4.8
165.09113	1.3
171.10191	42.9
172.10551	1.6
175.07550	3.9
176.08287	1.4
187.07591	0.8
191.07027	1.3
193.12239	7.3
203.07278	0.8
211.13354	1.0
225.14906	12.4
226.02551	1.1
226.15100	0.9
242.02148	2.6
243.15988	3.5
248.92114	0.8
270.01825	3.8
285.04141	3.9
293.21069	3.6
295.09775	1.7
297.24481	5.4
298.01157	1.0
310.12030	1.5
313.03522	15.8
313.10843	0.9
314.03702	1.6
325.14484	1.7
327.05035	1.4
328.05847	3.4
328.13159	6.0
329.13428	0.9
343.04153	1.2
343.08356	18.8
343.15607	21.2
343.24832	100.0
343.28586	55.2
344.08551	2.2
344.15814	4.0
344.25143	8.2
344.28946	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	343.2853
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
52.18626	0.5
59.01253	100.0
60.01597	1.5
66.04089	0.5
69.23665	1.5
69.24075	2.8
71.01256	1.8
83.59911	0.5
89.02299	1.2
101.02324	0.8
113.02358	0.6
119.03490	0.7
121.02871	0.9
164.04785	0.7
198.03181	0.9
210.03134	0.8
226.02629	1.6
242.02180	1.9
270.01605	4.5
271.22861	0.5
281.24881	1.1
283.26401	5.2
285.04010	5.3
298.01044	1.1
313.03543	17.4
314.03882	2.6
327.05051	1.2
328.05847	4.6
329.06345	0.9
343.08209	20.0
343.15082	1.0
343.28519	70.4
344.08566	1.9
344.28818	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	344.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05400	2.3
57.03316	4.4
59.01257	26.7
60.01585	3.1
65.99710	7.0
67.43771	2.2
69.03319	3.7
71.01260	20.7
72.01572	4.2
79.22478	2.2
81.03338	4.9
83.01250	7.4
85.02809	5.9
89.02319	11.0
93.03338	5.9
95.01260	5.5
95.04925	3.3
96.04475	2.1
97.02815	5.8
98.02321	2.3
99.00761	6.8
101.02309	9.4
102.02636	2.4
105.03388	3.4
108.02026	2.5
109.02863	24.3
111.00764	12.3
113.02326	4.4
119.03432	3.9
121.02841	14.3
122.03606	3.3
123.00791	11.6
123.04431	14.0
125.02350	39.3
133.02785	5.9
134.02350	3.9
135.04396	7.0
136.05132	3.0
137.01404	3.6
137.02361	60.4
138.03040	7.4
139.00302	19.0
139.03886	7.0
141.01808	6.6
145.02849	3.4
147.04408	6.0
148.03918	8.1
149.01372	2.2
149.02385	21.2
150.01875	2.3
150.03079	4.5
150.05452	2.6
151.00285	3.3
151.03940	15.1
152.03354	2.8
153.01871	22.4
154.02490	1.9
155.03447	2.1
161.02371	21.2
162.01880	6.3
162.05542	2.9
163.00301	3.4
163.03923	9.8
164.01056	9.0
164.03415	21.6
164.04605	3.0
165.01872	13.4
166.02481	2.4
167.03424	12.9
172.03989	6.3
173.02368	4.3
175.03918	10.5
176.03461	19.0
177.01892	13.7
177.05438	3.0
178.01308	6.0
179.03413	25.7
180.04141	3.8
181.01317	5.6
181.04668	7.0
181.08615	4.8
182.09003	10.6
188.03450	12.0
189.05464	5.6
190.05020	4.2
191.03522	4.7
191.05414	3.8
195.02925	4.8
200.03433	9.1
203.03461	4.6
204.02963	8.9
206.04561	10.2
213.05498	7.3
217.04959	4.4
218.04556	3.9
226.58301	2.6
227.07010	2.8
231.06546	9.6
241.04921	2.8
245.08217	2.5
255.06683	4.1
256.10715	3.6
257.04581	2.5
258.07587	4.9
259.06259	2.2
264.06458	2.6
273.07709	7.0
281.04645	4.3
282.07471	4.4
286.04648	2.9
289.07205	2.6
299.05466	8.0
300.08759	3.8
304.05881	10.9
308.05682	6.2
317.06485	12.0
326.06744	22.6
327.06888	3.4
344.07687	100.0
344.14465	4.2
345.08057	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	345.1557
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01767	2.8
57.03326	2.8
58.00464	3.8
59.01253	100.0
60.01580	2.0
69.46600	3.8
69.47004	8.5
71.01257	77.9
72.99179	5.7
73.02815	6.1
75.00739	6.5
83.01276	5.4
85.02829	25.8
86.97878	1.7
87.00757	7.0
89.02319	64.7
93.03349	3.1
95.01269	4.7
99.00773	3.3
101.02323	39.5
107.54670	1.5
109.02820	2.1
113.02336	31.4
119.03398	26.0
119.23638	1.6
121.10224	1.8
123.04445	1.9
125.02336	2.0
129.01819	1.8
131.03418	2.0
135.04443	1.7
137.02390	1.9
139.11183	9.8
143.03355	2.8
149.05965	1.8
159.02776	1.8
161.04489	5.2
164.04799	2.4
165.09111	6.9
167.03337	1.6
176.03897	5.9
179.03426	3.1
179.05647	1.5
179.07144	1.9
183.10201	9.0
185.40298	1.8
197.09666	6.9
265.07120	2.0
268.48907	1.7
270.12155	2.0
333.54263	1.7
345.09662	5.1
345.15662	18.2
346.16354	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	345.1556
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
51.47079	1.5
53.47672	1.3
55.01760	4.6
57.03321	6.8
58.00466	2.7
59.01252	73.2
71.01255	100.0
72.99180	6.1
73.02824	24.3
83.01255	14.3
85.02289	1.8
85.02824	37.9
87.00769	4.1
89.02320	48.9
93.03345	1.7
95.01265	8.0
97.02847	1.9
99.00756	11.0
101.02325	66.7
113.02332	46.1
114.02774	1.8
119.03394	20.0
121.06465	1.6
123.04422	1.6
125.02363	1.5
143.03413	5.9
147.04428	1.8
159.02910	6.1
161.03192	2.6
161.04472	33.6
163.07611	1.7
165.05493	7.0
165.09126	7.2
179.05576	4.0
183.06551	3.2
183.10344	2.6
218.68015	1.6
260.85471	1.6
262.27316	1.7
301.16617	10.2
307.95792	1.6
317.31381	1.7
324.62067	1.6
345.11804	2.4
345.15582	28.0
346.15964	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	345.1705
Annotation	Xerophilusin B
Peak:m/z	Relative Intensity
59.01249	0.8
123.04360	0.4
136.01537	3.5
136.98982	0.3
137.02367	4.4
163.03899	2.9
164.04706	14.7
165.05101	1.0
179.07069	4.0
180.07352	0.5
199.03915	1.0
200.04729	9.2
201.05219	0.4
204.07269	0.4
210.03172	3.0
211.03928	7.1
212.04266	0.7
227.03453	7.1
228.04230	57.9
229.04559	3.3
242.05800	0.4
243.06589	100.0
244.06920	6.7
257.08160	9.9
258.08926	8.4
259.09448	0.6
311.11148	0.4
330.14694	22.7
331.15079	2.2
345.13333	8.4
345.17044	54.4
346.13724	0.8
346.17386	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	345.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68385	0.8
56.77188	0.8
59.01253	100.0
61.98686	0.8
65.04115	0.8
98.20535	3.1
117.30334	0.8
117.48508	1.0
118.11699	0.8
142.69000	0.9
157.62024	0.8
216.87141	0.9
315.01343	1.2
345.17010	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	346.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84129	1.2
59.01254	10.0
60.71692	1.3
61.98706	100.0
62.22596	1.2
69.91238	1.2
125.20570	1.4
180.12491	1.4
202.02617	3.1
203.02243	4.4
203.99944	23.4
204.01695	2.1
205.00060	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	347.171
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01752	4.0
57.03311	4.6
58.00461	4.1
59.01253	100.0
60.27850	1.3
61.03157	1.0
65.01873	1.0
69.03331	2.5
70.83762	1.9
71.01255	96.1
72.01591	1.5
72.99191	5.5
73.02816	13.5
75.00753	1.6
83.01260	8.1
85.02824	34.3
87.00746	7.9
89.02320	59.1
90.02672	1.1
95.01259	8.5
96.84691	1.1
97.02814	2.9
97.06450	4.4
98.03607	4.5
99.00761	5.1
99.04330	1.4
101.02325	63.5
113.02332	36.7
116.00419	1.1
118.57012	1.1
119.02575	1.8
119.03394	26.0
125.02368	1.8
125.09624	2.0
131.03430	6.9
134.56300	1.1
143.03415	5.1
149.04428	2.0
159.02867	3.9
161.03204	1.8
161.04469	22.8
167.10692	6.7
179.05534	3.7
182.09813	1.0
185.11725	3.1
205.94646	1.1
221.06633	3.8
227.14940	1.0
249.23140	1.1
278.13132	1.0
305.76245	1.0
347.11499	0.9
347.12955	1.4
347.17026	12.4
347.24078	2.4
348.17477	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	347.1713
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
50.32791	0.8
55.01757	5.6
56.75727	0.8
57.03331	10.2
58.00478	1.5
58.03627	0.8
59.01252	33.2
69.03342	1.3
69.41167	4.4
71.01254	100.0
72.01588	1.6
72.99182	2.6
73.02818	29.5
75.00750	2.0
82.71386	0.8
83.01253	12.5
84.02074	1.1
85.02824	38.9
86.03159	1.7
87.00759	3.0
89.02320	12.6
89.70875	0.8
95.01259	7.1
97.02826	1.4
99.00759	13.3
101.02325	56.2
102.02692	1.3
109.06487	1.5
110.09799	0.8
113.02333	40.1
114.02667	1.2
119.03417	4.2
125.02333	1.7
129.01820	1.8
143.03429	4.6
159.02882	8.7
161.04468	56.8
162.04755	1.6
167.10719	1.3
176.03000	1.0
179.05580	1.0
185.11769	9.1
205.03459	2.3
265.08386	0.9
329.32849	0.9
347.12503	1.6
347.16998	11.4
348.17633	1.0
357.57367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1712
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
52.22452	0.5
55.01759	1.2
57.03324	1.3
58.00475	4.3
58.02036	0.6
59.01253	100.0
60.01596	0.8
69.03329	0.7
70.83413	1.4
70.83753	0.9
71.01255	60.7
72.01590	0.6
72.99177	5.7
73.02822	2.1
83.01250	3.0
85.02833	11.2
87.00783	3.2
88.16022	0.6
89.02318	57.3
95.01270	3.3
99.00752	1.0
101.02326	40.6
113.02330	24.7
115.03856	0.8
119.03394	30.9
131.03424	2.0
143.03409	3.2
149.04446	1.8
149.05984	2.0
149.09538	0.9
161.04510	2.0
161.47644	0.6
167.10701	42.2
168.11125	2.0
179.05559	5.7
185.11798	2.1
293.38815	0.6
347.17136	37.5
347.24115	1.4
348.17548	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	349.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22113	1.1
57.81634	1.0
59.01254	100.0
69.18838	1.8
69.19244	9.2
71.01254	11.1
73.02808	2.1
85.02820	2.6
89.02333	5.8
98.19821	2.7
101.02348	5.2
109.79263	1.1
113.02330	2.5
119.03391	2.0
125.02329	2.1
134.03519	4.2
134.16049	1.1
161.04539	1.2
199.14072	1.2
211.58612	1.1
261.11719	1.3
295.31097	1.3
304.79639	1.2
305.10211	1.4
349.11737	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	349.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40686	1.3
55.01760	2.6
57.03329	3.4
58.00474	5.2
59.01254	100.0
71.01256	82.7
71.01668	2.6
71.53637	1.6
72.99191	5.1
73.02833	4.6
79.41364	1.4
83.01282	2.8
85.02821	15.3
87.00780	3.3
87.04356	1.3
89.02323	77.8
90.02630	1.7
95.01294	5.1
99.00750	2.6
101.02334	35.9
113.02338	28.8
119.03410	26.3
131.03394	2.4
143.03406	5.0
149.04472	1.6
157.94618	1.8
161.04449	8.1
176.90889	1.5
179.05463	7.1
187.13321	4.2
209.99667	1.4
223.90881	1.5
227.78369	1.4
301.10843	2.1
349.15039	2.1
349.18774	9.3
359.51068	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	349.1868
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
55.01760	2.0
58.00459	4.4
59.01252	95.6
60.01574	1.6
69.43684	10.1
71.01256	67.0
72.99176	4.9
73.02819	5.3
83.01266	6.5
85.02828	14.2
87.00755	2.7
89.02320	50.7
90.43249	1.2
95.01278	4.3
96.95898	2.9
97.02803	1.5
99.00771	1.9
99.08005	1.7
99.88170	1.5
101.02327	43.6
108.52886	1.5
112.31600	1.5
113.02333	26.2
114.02634	1.2
119.03384	22.3
131.03363	2.0
141.09106	2.6
141.12761	1.8
143.03413	2.4
149.04431	2.1
161.04468	5.0
169.12280	20.3
170.12521	1.4
179.05580	1.6
187.13322	7.3
326.96942	1.5
349.18668	100.0
350.18954	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	349.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	5.0
57.03331	5.4
58.00462	2.4
59.01250	66.1
60.01562	1.3
71.01254	100.0
72.01582	2.5
72.99167	6.5
73.02818	18.8
75.00771	1.3
76.65737	1.2
83.01240	9.6
85.02827	35.6
86.03174	1.3
87.00761	5.0
89.02318	42.5
95.01270	6.8
96.33966	1.0
96.95969	1.2
97.02850	1.4
99.00752	7.4
101.02320	68.7
102.02641	2.0
103.91604	1.1
107.67796	1.0
113.02328	40.6
114.02648	1.6
119.03382	18.4
131.03412	1.8
143.03387	4.2
147.81223	1.2
149.04373	1.4
159.02893	6.4
161.04462	31.5
179.05525	3.2
187.13327	4.1
221.06560	1.8
301.10773	2.3
349.14838	2.4
349.18680	20.2
350.19128	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	349.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40512	0.6
53.80695	0.6
55.01756	2.6
57.03319	2.6
58.00465	4.8
59.01253	100.0
60.01591	1.2
61.58038	0.7
61.98701	1.0
69.03329	0.9
71.01256	82.6
71.24854	1.1
72.01588	1.4
72.99181	5.7
73.02822	5.5
75.00749	0.8
83.01251	4.4
85.02824	16.2
87.00745	3.7
89.02319	65.7
90.02666	0.9
92.56186	0.7
93.03419	0.8
95.01273	6.1
97.02847	0.9
99.00776	2.1
101.02324	48.5
102.02696	1.8
112.00314	0.6
113.02335	29.1
114.02681	0.8
119.03391	27.9
123.13905	0.7
125.02319	1.2
131.03426	2.5
139.00339	0.6
143.03410	4.9
149.04530	1.8
159.02936	0.7
161.04468	11.0
179.05550	8.1
187.13287	5.9
190.13722	0.9
239.15974	0.6
343.48087	0.9
349.14896	1.1
349.18665	7.8
350.19568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1868
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.30535	0.9
51.82515	0.7
55.01755	3.1
57.03323	3.4
58.00467	4.6
59.01250	100.0
60.01573	0.7
62.65358	0.6
69.03342	0.8
69.24143	6.3
71.01255	82.5
72.01617	1.0
72.33400	0.7
72.99172	6.6
73.02815	7.0
73.03138	0.7
81.03337	0.8
83.01251	5.5
85.02822	20.5
86.72473	0.7
87.00754	3.3
87.99303	0.7
89.02319	66.8
90.02659	1.3
94.59411	0.7
95.01263	5.5
97.02850	0.7
99.00777	2.7
99.04404	1.1
101.02320	50.1
102.02655	0.8
113.02330	32.1
114.02628	0.8
119.03389	30.4
120.03738	1.0
125.02294	1.2
131.03415	2.9
143.03392	5.4
149.04503	2.3
159.02892	2.5
161.04459	15.1
167.21567	0.6
179.05545	10.5
187.13330	10.8
299.16968	0.8
324.86047	0.7
345.62732	0.6
349.18634	14.7
350.19073	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	349.2386
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
50.50245	4.8
57.03322	40.1
59.01236	18.0
60.68106	4.2
60.99170	14.7
71.01235	10.6
71.41227	4.2
72.02036	6.1
83.04896	34.1
83.83651	5.3
85.09772	4.2
85.96105	4.5
87.50439	5.5
89.02300	6.9
101.02289	5.9
101.23776	5.1
103.90321	4.5
127.67355	5.0
139.04857	5.1
153.12741	25.3
210.33792	4.9
277.21701	60.7
278.21942	10.2
287.23795	100.0
288.24106	11.0
291.41122	4.8
305.24829	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2384
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
57.13338	7.2
59.01241	31.6
67.09609	7.9
69.22948	22.1
69.23354	66.0
71.01254	44.2
72.02020	42.6
83.58217	8.1
87.04393	96.2
89.02275	11.3
98.03581	9.5
98.20612	18.4
100.61443	8.3
287.23798	31.4
305.24884	100.0
349.23782	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	351.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01579	0.9
71.01261	1.4
71.07660	0.7
71.07999	0.7
85.02818	0.8
89.02299	0.5
101.02320	0.8
101.05988	0.5
117.12025	0.4
121.02951	0.5
122.51941	0.4
160.97127	0.5
172.32179	0.5
190.73134	0.5
192.23096	0.6
193.08397	0.4
217.22261	0.6
235.32997	0.5
315.67004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01579	0.9
71.01261	1.4
71.07660	0.7
71.07999	0.7
85.02818	0.8
89.02299	0.5
101.02320	0.8
101.05988	0.5
117.12025	0.4
121.02951	0.5
122.51941	0.4
160.97127	0.5
172.32179	0.5
190.73134	0.5
192.23096	0.6
193.08397	0.4
217.22261	0.6
235.32997	0.5
315.67004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.5
60.96795	1.2
61.66378	1.0
61.98706	100.0
69.64491	6.5
71.01265	1.9
72.99191	1.4
75.53226	1.0
85.02839	2.5
93.03345	1.7
101.02342	1.4
109.02842	2.7
110.10558	1.1
111.00769	1.5
113.02399	1.1
121.02861	1.9
125.02342	4.9
135.04408	2.0
139.00320	2.4
153.01846	1.5
169.01350	2.1
177.01936	1.4
191.05557	13.3
191.71388	1.2
212.11453	1.3
238.80202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.3
59.01041	0.2
59.01258	2.2
67.01765	0.4
69.03307	0.3
69.83650	0.2
71.01261	1.5
71.02822	0.5
73.02831	0.2
81.03329	0.4
83.04902	0.6
84.91725	0.2
85.02831	13.8
86.03174	0.3
87.00751	3.0
93.03339	5.7
99.04383	0.7
109.02846	1.1
111.04386	2.0
113.02375	0.2
127.03907	3.4
133.02859	0.9
135.04413	2.4
137.02379	0.4
155.03424	0.2
161.02359	2.3
171.02916	0.7
173.04489	2.1
174.72156	0.2
175.89130	0.2
179.03409	1.2
191.05551	100.0
192.05896	5.2
223.69612	0.2
238.08652	0.2
353.08749	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	353.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.3
59.01250	3.7
62.91359	0.5
67.01771	4.5
69.03342	1.2
71.01253	3.8
71.02912	1.1
81.03366	1.4
83.04913	1.0
85.02832	10.5
87.00758	2.2
93.03342	31.1
94.03725	1.2
99.00704	0.7
99.04388	1.1
99.35551	0.5
109.02876	1.5
110.00907	0.5
111.00765	1.2
111.04408	5.8
117.03365	0.6
127.03905	2.5
133.02869	1.7
134.03699	2.6
135.04428	73.6
136.04800	3.1
137.02335	7.3
155.03445	5.9
161.02353	5.6
171.02847	0.6
173.04482	100.0
174.04842	3.9
179.03432	64.7
180.03746	3.7
191.05548	83.8
192.05836	3.1
294.55481	0.5
353.08774	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	353.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63370	0.3
50.87957	0.3
51.58878	0.3
51.97168	0.3
57.96234	0.3
59.01252	2.0
60.99168	0.4
62.42707	0.3
66.37863	0.3
67.01756	1.1
71.01260	1.6
71.09379	0.5
72.99187	0.5
73.02824	0.7
81.03331	0.4
85.02826	6.4
87.00747	2.4
93.02758	0.5
93.03346	9.4
93.93927	0.3
99.00719	0.4
99.98048	0.3
101.02299	0.4
107.04906	1.2
108.02102	0.5
109.02861	0.5
111.04399	2.0
115.03905	0.3
121.02824	0.5
127.00288	2.7
127.03885	1.4
129.01877	0.3
133.02875	0.7
135.04399	1.4
155.03410	0.7
161.02388	2.0
161.04488	0.3
171.02869	0.5
173.04483	9.7
173.05981	0.6
178.02747	0.5
178.55415	0.4
179.03442	6.0
180.03757	0.6
191.05556	100.0
192.05905	3.6
206.02113	0.4
207.05107	0.5
309.06183	0.4
353.08771	5.3
354.09283	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89856	0.2
59.01250	1.2
67.01752	0.4
68.61893	0.2
69.03313	0.3
69.59888	0.3
70.87055	0.6
71.01259	0.8
81.03310	0.3
83.04912	0.3
85.02826	6.9
85.03339	0.4
87.00752	1.9
87.83990	0.2
93.03334	3.6
99.04411	0.3
109.02849	0.7
111.04403	1.1
127.03907	2.2
133.02873	0.7
135.04434	0.8
161.02357	2.5
171.02913	0.6
173.04474	2.4
179.03334	1.4
191.05545	100.0
192.05888	4.0
228.05470	0.3
298.57809	0.3
353.08673	2.2
355.65271	0.3
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	Unknow
Peak:m/z	Relative Intensity
52.60944	0.2
55.76223	0.1
58.09632	0.1
59.01250	0.6
59.55338	0.1
67.01744	0.2
69.03330	0.2
69.75110	0.7
71.01236	0.2
83.04868	0.1
85.02828	2.6
87.00754	0.8
90.44431	0.1
93.03339	1.3
98.19891	0.3
99.04377	0.1
109.02821	0.2
111.04378	0.6
127.03891	0.7
128.27940	0.1
133.02863	0.2
135.04427	1.1
155.03561	0.1
161.02348	1.8
171.03001	0.2
173.04416	1.2
179.03447	1.7
191.05547	100.0
192.05894	4.0
245.92456	0.1
353.08841	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	353.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39590	0.2
56.89132	0.2
59.01240	1.4
64.10115	0.2
66.92237	0.2
71.01241	1.5
71.34686	0.3
73.02819	0.4
77.67608	0.2
83.01273	0.2
83.63618	0.2
85.02813	0.5
87.00742	0.5
89.02331	0.6
93.37568	0.2
94.05096	0.2
94.48389	0.2
98.23177	0.2
98.39182	0.2
99.00738	0.3
101.02322	0.8
108.02044	0.5
113.02354	0.4
122.03642	0.7
131.03391	0.6
131.04871	0.3
137.02357	0.3
147.04433	1.5
148.05217	2.4
149.05989	100.0
150.06342	5.1
161.04506	0.6
191.05507	1.4
221.06647	0.8
230.98868	0.3
233.06755	0.3
353.11099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1396
Annotation	(-)-Aristotetralone
Peak:m/z	Relative Intensity
52.26567	0.5
57.43773	0.6
59.01323	2.6
71.01313	0.9
85.02917	0.7
96.95951	0.7
132.02065	5.3
132.90863	0.6
148.05328	2.1
160.01581	16.6
163.07581	2.6
163.34671	0.5
175.03981	0.7
179.03574	0.5
191.05565	8.9
200.08505	1.4
207.08214	0.8
208.08931	2.4
211.07709	1.0
212.08551	1.1
223.04039	1.5
223.07642	1.3
223.11316	0.7
224.08391	18.7
225.08919	2.0
227.07104	8.1
228.07887	5.0
235.07674	3.8
236.08441	2.8
237.05467	0.9
239.07040	1.0
239.10773	9.9
240.07936	1.1
240.11182	1.8
249.09212	0.9
251.03682	0.7
251.07114	1.9
251.10893	2.2
252.07907	21.2
253.08284	2.6
262.06418	1.0
263.07150	4.5
264.07904	14.2
265.08603	5.4
267.07089	0.9
267.10263	19.3
268.10614	1.6
277.08694	3.7
278.09528	2.8
279.06696	3.3
279.09933	0.9
280.07410	16.0
281.07840	1.1
290.05841	0.7
291.06613	3.3
292.07449	14.7
292.10538	1.1
293.08197	14.0
293.11603	1.0
294.08844	2.4
295.09750	9.3
296.10110	1.1
305.08304	6.9
306.08969	7.8
307.09760	23.7
308.06927	22.3
308.10519	13.2
309.07281	2.1
309.10901	1.4
321.11392	7.2
322.12039	12.6
323.09277	100.0
323.12753	7.6
324.09613	13.5
324.13138	0.7
337.10907	4.9
338.11600	67.7
339.11963	7.8
353.13943	54.4
353.22949	1.0
354.10413	1.0
354.14252	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2121
Annotation	Guayulin B
Peak:m/z	Relative Intensity
59.01252	0.3
67.68485	0.2
70.55597	0.7
75.05878	0.2
79.95613	0.8
96.95887	4.5
147.08054	0.4
151.55402	0.3
162.80751	0.2
163.11201	85.3
164.11545	6.3
177.09131	67.4
178.09476	4.4
191.05530	1.3
194.05818	0.3
222.08865	0.6
234.14377	0.2
303.25705	0.3
353.21194	100.0
354.21548	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	355.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	10.3
59.01244	5.3
69.49677	10.9
71.01243	2.3
72.99202	2.6
74.56857	1.4
83.01278	2.1
85.02828	100.0
86.03175	2.3
89.14719	1.9
98.27596	1.6
119.04935	2.7
125.98328	1.6
129.01854	8.7
140.80296	1.6
147.02875	12.5
163.03900	4.0
169.58789	1.8
187.89270	1.9
191.01917	34.3
209.02951	44.7
210.03270	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	355.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.8
57.03325	18.6
59.01250	9.9
64.76630	0.6
71.01254	8.0
71.24537	0.8
72.99178	3.5
73.02821	0.9
74.54740	0.6
75.00739	2.8
83.01247	2.1
83.17622	0.6
83.75586	0.5
84.02041	2.6
85.02823	100.0
86.03168	1.6
87.00759	2.0
89.02321	1.9
101.02292	0.9
103.00249	1.6
105.39743	0.5
111.00784	0.9
115.00243	0.9
117.03326	0.6
117.05905	0.7
117.06786	0.6
119.04938	7.1
120.15393	0.7
129.01823	5.8
133.01337	1.4
134.03699	0.9
139.35643	0.7
145.02879	0.7
147.02901	3.4
163.03929	2.4
191.01886	15.0
209.02968	16.2
331.81003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60750	0.4
55.01749	2.4
57.03326	14.9
58.44682	0.4
59.01250	7.4
62.52208	0.4
68.99700	0.6
69.40768	2.9
71.01256	3.4
72.99184	1.8
73.02825	0.6
75.00757	2.2
83.01260	1.7
84.02044	2.7
85.02825	100.0
86.03168	2.2
87.00750	1.8
89.02327	0.8
98.20582	0.8
101.02348	1.0
103.00248	1.6
111.00732	1.2
115.00251	1.3
119.04905	3.8
121.02805	0.4
129.01825	8.5
133.01347	0.9
147.02908	9.4
162.68159	0.4
163.03860	2.9
173.00821	1.4
173.04535	0.4
191.01910	23.4
191.05498	0.8
192.02187	0.8
209.02983	20.6
210.03328	0.4
236.17859	0.4
256.71655	0.4
355.06720	1.1
355.10580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0882
Annotation	GlcAbeta1-6Galbeta
Peak:m/z	Relative Intensity
57.03333	6.8
59.01254	79.2
60.36086	4.0
67.65630	4.0
71.01253	85.5
71.10309	10.2
71.24232	5.0
72.99178	72.6
73.02811	20.4
75.00751	13.1
83.01257	7.6
85.02830	38.6
87.00749	43.8
89.02316	54.7
95.01243	6.8
99.00768	13.1
100.98719	6.1
101.02322	48.3
103.00256	15.7
105.01801	14.4
108.97272	4.3
113.02329	54.0
115.00247	18.4
117.01810	5.3
119.03375	13.8
129.01805	12.5
131.03398	9.2
141.01814	5.1
157.01341	4.9
161.04475	9.9
175.02409	72.1
176.02765	4.6
179.05565	8.5
265.05527	20.8
270.85352	4.6
355.08755	100.0
355.12866	7.7
356.09094	6.7
371.43872	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	355.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.0
62.14089	0.5
71.01245	3.6
71.33838	0.6
73.02836	2.7
75.00737	4.6
77.00448	0.6
81.03350	2.1
85.02820	2.9
87.00739	0.7
89.03854	2.5
99.04414	1.3
101.70977	0.5
117.03350	10.7
122.89124	0.7
129.01852	0.7
134.03635	100.0
135.03954	4.4
137.02293	1.2
143.03363	1.6
149.05983	7.6
161.02390	0.6
161.04443	3.2
178.02682	1.7
179.05527	6.0
193.04996	98.5
194.05312	4.0
209.02945	0.6
235.06081	1.1
239.34959	0.6
251.93565	0.5
355.10336	3.4
356.97006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01250	5.9
68.99684	0.6
71.01258	6.8
71.04900	2.7
71.34009	0.6
71.34344	0.9
72.99189	6.6
73.02834	6.4
75.00748	31.2
81.03341	4.9
84.02037	0.6
85.02827	4.1
87.00767	1.3
87.04418	1.2
89.02333	0.7
89.03846	2.8
97.02789	0.6
99.00762	2.0
99.04395	6.9
101.02346	0.7
106.06503	13.4
108.08047	0.8
117.03354	9.6
117.05556	0.6
134.03636	100.0
135.03938	3.1
143.03406	8.3
149.02325	0.9
149.05998	7.1
150.05499	6.1
152.87148	0.7
160.01579	1.0
161.04459	17.5
164.07001	1.0
175.03958	1.0
176.04649	0.7
178.02690	1.0
179.05533	63.8
180.05875	2.2
191.01994	1.1
192.06618	0.8
193.04996	84.9
194.05276	3.3
209.03003	1.1
223.06088	0.8
267.06519	0.8
325.10788	0.7
355.10370	8.9
356.10248	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	355.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73159	0.4
57.03307	0.7
59.01249	7.6
69.39455	3.2
71.01259	5.1
72.92037	0.4
85.02818	4.7
89.02300	3.1
91.47652	0.4
96.95901	0.8
100.76143	0.4
101.02296	2.1
113.02322	1.8
113.26109	0.4
113.65540	0.4
117.03362	0.4
119.03400	0.7
125.53816	0.4
129.01823	0.6
132.02057	11.4
134.03632	6.4
137.02364	0.7
147.04375	1.0
149.02264	0.5
149.05962	1.4
153.24547	0.4
160.01566	55.7
161.01958	2.4
163.03960	0.7
175.03922	100.0
176.04253	6.0
177.48129	0.4
178.02644	0.6
191.01733	0.7
191.03452	0.8
191.05481	0.7
191.07066	2.2
193.04962	18.6
194.05353	1.4
202.02481	0.9
206.05788	1.0
209.02908	0.9
217.05038	5.5
221.08141	1.6
235.06090	3.4
236.06474	0.5
265.07242	0.8
295.08127	2.3
324.24393	0.4
338.64709	0.4
355.10367	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84988	1.1
56.56022	1.1
57.03308	1.4
59.01245	16.3
62.75135	1.3
69.23402	5.0
69.23829	5.5
71.01247	8.9
72.99166	1.1
73.02807	1.4
85.02827	12.6
87.21958	1.1
89.02346	6.6
101.02321	5.2
109.94122	1.2
113.02321	2.3
117.03325	2.0
125.02325	2.3
132.02061	14.5
133.02881	1.4
134.03629	24.4
135.04012	2.1
137.02344	3.3
149.06032	6.5
150.06638	1.2
151.03836	6.5
160.01572	67.8
161.01912	2.7
175.03929	100.0
176.04556	6.9
178.02628	3.5
191.01869	1.8
191.07060	7.7
192.04234	2.4
193.04996	36.2
194.05318	2.4
202.02600	1.3
217.04997	7.2
223.87405	1.3
235.06056	17.3
265.07065	5.8
284.20316	1.2
295.08173	13.1
355.10468	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	8.0
60.66401	0.6
69.29082	0.7
69.83110	3.3
70.60596	0.6
71.01258	5.8
76.82406	0.7
85.02847	6.1
85.17665	0.7
89.02318	4.1
94.56497	0.7
95.35457	0.9
101.02324	2.6
113.02335	1.8
119.03403	1.0
120.30537	0.7
124.01623	1.0
130.52884	0.9
132.02071	15.1
134.03632	11.7
135.04456	0.9
137.02435	0.7
147.04352	1.1
149.06024	3.7
151.03957	1.1
155.81416	0.8
160.01581	66.6
161.01952	4.6
163.03876	1.3
175.03934	100.0
176.04301	6.0
178.02690	1.0
191.01903	1.2
191.03516	1.5
191.05475	2.1
191.07092	2.6
192.05978	1.1
193.04947	17.4
193.06485	1.0
194.05289	1.1
207.06573	1.2
209.03088	1.2
217.05045	5.2
235.06099	3.0
265.07068	1.0
295.08203	2.5
355.10318	5.6
356.10934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1185
Annotation	Shuterin
Peak:m/z	Relative Intensity
55.01751	3.4
57.03310	2.1
59.01255	5.5
71.01261	2.8
71.53645	1.1
81.03326	1.3
83.01263	100.0
84.01599	2.3
85.02821	9.0
89.02296	0.8
93.03358	4.3
93.66254	0.9
105.43868	0.9
107.04932	5.6
109.02840	2.3
121.02014	1.6
121.02834	9.6
122.03571	0.9
125.09592	2.7
133.02844	3.3
135.04454	1.2
147.04434	2.6
151.03888	2.9
151.18484	0.9
151.90982	0.9
160.01602	1.4
161.06027	1.2
191.01982	1.5
193.04961	1.2
209.02942	2.6
219.06606	10.7
295.22614	1.3
319.22757	1.0
325.23831	13.4
337.23743	1.4
340.09564	10.5
355.11880	33.9
355.15543	2.2
355.24896	62.7
356.12296	3.4
356.25455	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	355.1949
Annotation	Lehualide I
Peak:m/z	Relative Intensity
51.20917	0.5
59.01240	2.4
71.01244	1.3
85.02827	3.8
111.00706	0.5
124.59534	0.6
164.07123	0.9
191.01891	1.1
209.02904	0.8
235.15239	16.0
236.15512	1.8
267.17874	100.0
268.18213	10.9
337.18359	1.1
355.19485	53.2
356.19809	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	355.2279
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01245	3.5
71.01257	1.9
71.53644	2.1
77.87094	1.5
85.02837	5.4
87.08485	1.7
109.02816	2.2
122.03606	9.0
127.07510	1.8
135.04416	25.8
136.01601	2.3
147.08124	1.9
149.06015	2.4
149.09630	5.0
151.07576	2.8
154.02611	2.9
161.09642	9.0
163.07541	4.3
163.11197	50.8
164.08354	16.7
164.11517	3.0
165.09088	9.2
168.19986	1.4
177.09137	65.5
178.09911	20.9
178.57317	1.4
179.10696	70.5
180.11060	5.3
183.10149	3.1
187.11137	1.7
191.10727	13.2
193.08607	9.1
215.10696	2.6
280.14636	2.4
290.68219	1.5
298.15750	50.0
299.16196	5.6
337.21759	46.7
338.22156	5.9
340.20410	76.3
341.20734	8.9
355.22809	100.0
356.23074	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	355.2854
Annotation	2-Monoolein
Peak:m/z	Relative Intensity
50.97469	0.4
56.48817	0.4
57.03320	0.4
57.21706	0.4
57.44193	0.4
59.01255	1.2
62.31578	0.4
69.76613	0.4
71.53825	0.6
81.10815	0.4
98.95448	0.6
99.01276	0.4
118.98712	0.4
131.04701	0.4
155.15579	0.4
157.63876	0.4
265.25549	0.4
272.31714	0.4
291.26996	1.1
293.28503	61.0
294.28824	7.3
310.03455	0.4
311.29462	1.6
337.27469	18.3
338.27835	1.9
355.28525	100.0
356.28860	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	356.0412
Annotation	7-Hydroxyaristolochic acid
Peak:m/z	Relative Intensity
50.49054	5.2
50.58752	5.0
55.15086	5.5
59.35711	5.3
63.02262	6.8
65.00201	13.6
67.85812	5.7
71.01266	5.4
83.01267	11.4
85.02840	10.8
89.30481	4.7
95.01269	7.7
103.02605	5.5
106.06541	12.9
107.01284	14.1
109.02834	8.7
109.99989	9.0
111.00767	15.0
123.00815	7.1
124.01538	6.9
125.02361	10.6
129.01857	8.4
134.03667	8.1
139.00294	22.4
149.02371	12.2
150.05580	9.9
151.00288	48.2
152.01096	7.0
161.02351	12.3
162.01886	8.2
163.00316	12.3
164.01080	7.8
165.98959	10.7
166.99756	11.3
170.02333	5.8
175.00314	7.7
175.03833	6.1
176.03482	11.2
177.01851	12.7
178.99763	39.6
186.01895	10.6
189.01883	6.3
190.01341	9.2
193.01355	14.4
194.99310	17.1
198.01797	5.9
199.04094	6.7
202.01367	10.1
204.03148	6.2
206.99380	7.8
211.03966	7.7
214.01361	15.3
230.00824	10.9
242.04456	7.0
270.01654	8.3
271.02551	20.4
285.04160	9.2
294.04169	6.0
298.01111	7.4
299.01962	15.7
301.03464	14.4
310.03674	10.6
311.01874	29.5
315.01065	6.2
316.02225	100.0
317.02637	12.9
329.03049	11.7
338.03033	20.8
356.04102	85.6
357.05112	6.6
357.09824	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	13.7
61.98706	100.0
67.59779	5.7
69.43628	19.0
69.44051	20.2
77.11768	5.9
85.02832	9.5
121.02843	16.5
139.93533	5.8
342.07388	8.5
357.06064	16.3
357.09732	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	357.0615
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
52.89119	0.2
53.57207	0.1
57.03325	0.2
59.01251	0.4
69.01078	0.1
70.94320	0.2
71.01249	0.6
73.02821	0.8
77.03872	0.3
81.65852	0.1
83.04897	0.2
93.03345	0.3
121.02848	100.0
122.03178	3.9
136.01581	0.2
145.02896	0.2
151.03909	0.4
165.01822	1.0
180.05737	1.7
181.06514	5.6
182.06863	0.6
197.05894	0.3
203.06725	0.1
225.05533	6.6
226.05807	0.4
269.08173	0.3
271.07089	0.2
297.24597	0.2
312.09821	0.2
313.07187	7.4
314.07477	1.2
327.08746	0.3
327.12427	0.4
327.25296	0.9
339.25046	0.2
342.07410	0.2
342.11179	0.4
357.06161	28.3
357.13480	1.3
357.26474	6.8
358.06506	3.1
358.13535	0.2
358.26865	0.4
375.09689	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0979
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
59.01249	1.4
65.00190	1.6
69.26134	6.2
71.01260	1.9
74.99003	0.7
77.23108	0.7
81.75131	0.7
83.01253	1.0
85.02829	1.3
87.00751	0.9
88.49107	0.8
89.02328	0.9
91.01772	4.6
93.03339	8.9
96.07421	0.6
96.99185	7.7
108.02087	1.7
109.02854	1.3
111.00760	1.0
117.03342	2.5
119.04916	13.6
121.02834	0.7
123.04402	11.3
124.01538	1.5
130.04100	1.2
131.04932	3.1
133.02850	2.9
134.03638	17.5
135.04433	1.7
137.02330	4.0
139.00327	0.8
143.04941	11.5
144.05234	0.8
145.02853	3.3
146.03630	5.7
147.04395	2.2
148.01559	1.7
149.05954	2.3
149.73759	0.7
151.00252	2.9
151.03885	0.9
158.03658	5.2
159.04448	8.6
161.02356	0.8
161.05998	3.9
163.03918	7.3
166.99739	0.9
171.04480	1.1
173.05937	2.2
177.05484	1.0
178.02740	1.2
178.99716	1.6
187.03943	1.3
193.04951	4.5
195.06596	0.9
226.06320	4.4
235.07669	0.9
241.08699	2.4
250.06418	1.4
251.07121	22.2
252.07791	9.6
253.08675	8.0
254.09346	2.7
265.08594	1.5
279.06607	6.5
280.07367	15.3
281.07831	1.3
295.09729	12.8
296.10077	1.8
300.02454	1.0
312.02292	0.9
313.10849	1.4
317.02792	1.6
324.06290	2.5
339.08755	6.1
342.07376	1.2
351.65936	0.8
354.58609	0.7
357.09787	100.0
358.05762	1.5
358.10086	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	357.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32423	1.0
55.01740	2.0
57.03318	3.8
58.00456	1.5
59.01252	25.4
69.89192	4.0
71.01255	49.1
72.01595	1.5
72.99193	2.0
73.02817	14.2
75.00745	1.5
83.01261	4.6
85.02827	17.9
87.00736	2.4
89.02325	14.1
95.01269	3.4
99.00750	5.2
101.02318	30.0
113.01611	1.8
113.02333	19.8
119.03410	5.3
123.04386	1.6
123.85699	1.0
129.01839	1.0
131.03351	1.3
134.03621	1.1
143.03380	2.0
151.03998	1.2
152.04614	1.9
153.05431	2.5
159.02908	3.7
161.04468	15.0
179.03452	2.4
180.04204	93.3
181.04552	4.1
195.06567	100.0
196.06871	4.9
210.67003	1.0
357.12024	20.4
358.12137	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	357.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.8
70.40082	1.8
71.01260	1.8
75.00739	0.8
85.02821	0.7
87.00762	0.7
89.02296	1.5
93.03335	1.1
95.04884	1.0
101.02338	1.5
122.03609	0.8
123.04417	66.0
124.04746	2.6
131.58388	0.7
135.04437	1.6
137.02368	0.9
151.03932	2.7
153.05484	100.0
154.05786	3.4
157.68710	0.6
162.03136	4.8
177.05495	8.0
180.04195	2.3
189.01732	0.6
195.05081	1.4
195.06596	3.9
200.82758	0.6
230.46043	0.7
258.06012	0.6
311.32678	0.7
327.05191	0.8
342.07550	1.1
357.11514	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	357.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78516	0.7
55.01760	8.9
55.09668	0.8
57.03327	5.8
58.00455	2.3
59.01250	53.3
60.01571	1.0
67.01764	0.7
68.83905	0.8
68.99689	0.8
70.87601	1.7
71.01253	100.0
72.01580	1.8
72.99196	4.5
73.02819	31.2
75.00750	3.0
83.01258	13.3
84.02061	0.9
85.02824	47.5
85.99980	1.1
86.03147	1.1
87.00753	7.1
89.02321	17.0
91.01749	0.9
93.03362	2.0
95.01264	7.4
97.02836	2.0
99.00760	12.1
101.02325	65.5
102.02679	2.0
107.04915	3.1
108.02097	0.9
109.02860	1.3
111.00744	1.2
113.02334	39.1
114.02671	1.1
117.31410	0.8
119.03422	4.7
119.04906	1.7
120.99571	1.9
125.02343	2.4
129.01857	2.2
131.03391	3.7
133.02847	2.5
134.03662	1.8
137.02350	0.9
143.03407	2.5
158.94612	0.9
159.02895	6.4
159.04158	1.0
161.04462	34.3
162.04788	1.5
175.03958	1.8
177.05463	5.0
178.51274	0.9
179.05693	1.1
180.04195	8.3
195.06592	8.2
205.03403	1.1
221.06639	3.2
221.63631	0.8
236.42642	0.8
267.16501	0.8
353.73611	0.9
357.11951	9.2
358.12180	1.5
369.24969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20611	0.8
52.10018	0.9
58.00487	1.6
59.01252	28.8
60.89215	0.9
71.01257	18.7
71.33522	1.2
72.99188	2.0
73.02829	0.9
85.02835	4.0
87.00751	1.0
89.02316	16.7
89.41187	0.9
95.43399	1.1
101.02327	10.6
101.48228	1.2
105.67425	0.9
108.02090	2.1
109.02884	1.1
113.02328	7.4
115.36937	0.9
119.03394	7.5
123.04411	3.1
125.02312	1.1
133.02866	0.9
134.03630	2.8
151.03908	1.8
153.05554	1.4
161.02364	1.9
162.03143	64.6
163.03682	4.4
177.05501	100.0
178.02710	0.8
178.05833	6.5
179.03461	3.3
179.05534	1.2
180.04213	11.6
195.06573	24.1
243.30122	0.9
357.12006	15.5
381.82562	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1343
Annotation	Negundin B
Peak:m/z	Relative Intensity
53.93052	1.8
57.45805	2.0
59.01252	15.9
60.70030	1.7
65.00195	4.6
67.69588	1.8
71.01252	3.0
71.53649	2.5
83.04902	2.1
89.02300	2.0
93.03335	2.2
96.95896	3.6
101.02375	2.2
108.02050	7.5
109.02840	100.0
110.03178	2.8
111.00777	3.2
119.04902	1.9
121.02043	3.9
121.02831	25.6
123.00838	2.7
123.04404	2.7
124.01573	3.0
125.02303	2.3
133.02895	2.4
135.04439	10.3
136.98729	7.9
137.02325	3.9
146.03659	17.1
148.01659	2.6
148.05258	7.1
149.02295	2.8
149.05963	3.7
150.03186	2.1
151.03909	2.5
154.02634	3.3
159.04413	4.6
161.02348	4.6
161.06039	8.5
162.03145	6.8
163.03899	26.0
163.07629	5.4
164.04668	9.8
175.03879	2.9
176.08382	3.5
177.05376	2.3
178.02689	2.2
178.06241	5.0
179.03465	3.4
180.04131	2.6
187.03943	2.0
191.07048	3.1
191.10652	1.7
191.31190	1.8
193.05101	2.5
194.22896	1.8
195.06654	3.8
199.03954	2.9
201.05548	3.2
209.05952	2.4
211.03940	58.5
211.05836	3.9
212.01088	3.2
212.04410	6.2
213.05588	1.9
218.05759	3.1
219.06577	2.2
225.01964	2.6
225.05606	3.8
227.03494	4.9
227.07112	2.9
227.20346	2.1
228.00558	3.1
233.08223	2.8
237.05402	3.7
238.06306	4.0
239.03459	86.9
239.07257	5.5
240.00641	3.0
240.04025	8.8
241.05173	4.3
243.03047	2.6
253.05092	2.0
254.05807	53.0
255.03030	14.5
255.06409	5.0
263.07193	3.4
265.05176	5.0
265.08521	2.4
266.05884	11.4
267.06680	7.2
268.07260	3.7
269.08170	41.9
270.08588	3.3
271.02518	3.1
280.07330	3.3
281.08200	10.4
282.09003	4.4
283.03043	2.2
283.06198	7.8
283.09811	11.4
283.19159	2.5
284.06717	2.5
285.03992	2.3
286.04993	3.4
294.05325	4.5
295.22760	2.5
296.10522	2.7
297.07721	5.6
298.08493	4.2
298.11960	2.6
299.02029	13.9
299.05411	4.2
299.09189	3.1
306.09225	2.2
309.07620	21.3
309.14990	2.4
312.02814	3.3
313.03476	3.3
313.07291	3.0
313.10803	7.5
313.14566	7.9
314.04407	2.8
318.03888	3.4
323.09302	2.9
324.10031	12.1
324.17325	10.4
327.01495	35.8
327.04971	4.1
327.08722	3.3
329.06671	5.1
339.12405	8.3
339.19751	6.9
341.03281	3.8
342.03775	10.2
342.07523	6.8
342.11157	5.7
342.14850	2.8
342.18484	4.5
357.06192	64.5
357.13385	44.3
357.20331	23.1
357.26279	11.2
358.06473	7.9
358.13901	7.2
358.20758	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	357.1346
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
51.07942	1.4
51.23580	1.3
57.03279	1.3
59.01250	3.3
68.01878	1.4
69.62979	6.4
85.02842	2.5
98.20538	2.3
108.02066	23.0
121.02843	2.8
121.06478	1.6
123.04417	35.4
131.04938	2.2
134.03674	2.7
136.01587	1.8
137.02325	2.5
144.89859	1.5
145.02827	4.0
146.03708	2.4
147.04443	5.2
148.05202	8.5
149.02298	2.1
149.06029	8.9
150.03169	9.0
151.03870	2.3
158.03664	6.9
159.04430	18.6
160.05232	27.5
161.02400	1.6
161.05928	4.3
162.03090	6.1
163.03934	2.2
164.04680	2.1
165.05453	2.9
172.05151	2.2
173.06052	3.3
174.03149	10.3
175.03822	3.5
175.07544	8.6
176.04713	6.6
177.05490	90.0
178.06242	24.6
179.06725	2.0
180.04170	3.3
187.03931	14.2
188.04730	17.2
189.05144	1.9
191.07086	33.2
192.04259	2.4
192.07841	12.5
193.08536	2.4
200.87061	1.6
202.76218	1.6
203.07085	100.0
204.07373	4.8
206.05809	17.1
210.05327	9.4
219.06599	2.2
220.07298	3.1
221.08148	71.4
222.08437	4.1
224.06892	19.9
233.08220	2.0
235.07478	2.0
263.07019	4.1
263.82153	1.6
279.06757	2.3
280.07410	3.4
281.08060	3.6
291.06451	2.8
293.08051	1.9
294.08939	1.9
296.10510	2.4
297.07663	3.3
298.08224	1.9
299.12952	2.8
306.09006	2.0
309.07770	5.9
311.12842	2.5
313.10892	4.8
324.10223	3.4
327.08920	2.2
327.12402	11.2
339.12393	36.5
340.12692	7.0
342.07349	2.3
342.11066	2.2
357.09564	3.8
357.13455	32.1
357.26440	5.6
358.13623	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	357.2283
Annotation	oscr#21
Peak:m/z	Relative Intensity
50.07257	1.1
50.35008	1.2
54.33309	1.0
56.76716	1.2
57.03314	1.6
59.01245	6.5
61.98674	1.4
69.03307	1.4
69.83746	5.9
71.01260	6.3
71.04903	5.2
77.16565	1.0
83.04903	7.9
85.02838	1.5
101.05967	14.9
109.06474	1.3
111.82343	1.0
121.02859	5.0
122.20940	1.0
123.70269	1.1
127.03925	3.0
145.04956	4.3
146.03616	1.6
149.90981	1.2
161.06026	1.7
163.03819	1.2
179.03496	1.6
193.04985	1.5
211.17012	2.7
223.18613	1.9
223.20630	21.5
241.21701	4.3
245.54301	1.3
251.23769	12.7
255.03014	2.0
267.19653	4.0
269.24841	24.9
270.25259	2.3
295.22766	26.0
296.23212	1.9
312.02716	2.1
313.23907	10.4
327.01550	1.9
327.05121	4.0
339.21817	11.8
342.07755	2.6
357.06305	5.7
357.09958	4.6
357.22845	100.0
358.23257	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	357.2647
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
54.28028	0.3
57.03315	0.6
59.01247	1.5
61.98693	0.6
69.86250	1.3
71.01244	0.7
73.02814	0.7
83.04890	0.4
85.02826	0.4
89.02301	0.3
121.02836	1.4
123.04417	0.4
137.02362	0.4
137.09525	0.3
139.11163	0.4
141.12762	0.5
149.04301	0.3
153.05408	0.3
171.10080	0.4
181.06482	0.3
185.11755	5.1
227.16437	0.7
235.92474	0.3
295.22690	0.3
297.24356	2.4
303.18182	0.3
309.24350	2.6
311.25854	0.8
321.24332	0.5
325.23914	1.4
326.24176	0.3
327.05154	0.4
327.25391	18.7
328.25623	2.4
339.25433	4.3
340.25574	0.4
342.07355	1.1
355.25064	1.4
357.26462	100.0
358.26816	12.8
362.20764	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2649
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03312	0.8
59.01243	1.4
66.23161	0.2
69.24520	2.3
71.01254	0.5
79.53763	0.3
83.01257	1.6
85.02840	0.3
91.08361	0.3
91.69810	0.3
95.01251	0.3
96.44849	0.3
97.06509	0.3
99.11012	0.3
101.02341	0.5
108.02077	0.4
109.77666	0.3
111.00782	0.4
121.02837	1.3
123.00771	1.1
123.04391	0.9
124.01479	0.3
134.03659	0.5
136.01569	0.6
136.05157	0.3
139.11163	0.9
141.12741	0.8
146.03600	0.8
147.45300	0.3
151.03876	0.6
161.05959	0.9
162.03137	1.2
163.03873	1.3
164.04715	0.6
170.99155	0.3
177.05563	0.7
179.07074	1.1
185.11768	3.7
191.07132	0.4
195.06581	0.5
199.13368	0.9
227.16441	0.5
230.13582	0.3
297.08112	0.4
297.24295	2.5
309.24454	2.4
310.24792	0.4
311.22501	0.4
311.25912	0.7
312.10184	0.3
321.24329	0.7
325.23828	1.2
327.05161	0.4
327.08835	0.4
327.12430	0.9
327.25400	20.8
328.25760	2.0
339.25443	4.1
340.25919	0.5
342.07434	1.0
342.11182	0.5
355.24921	1.3
356.25580	0.4
357.13837	4.5
357.26456	100.0
358.13864	0.6
358.26816	12.2
378.07135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0985
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
50.34555	0.4
59.01249	4.1
65.05700	0.4
66.53175	0.4
71.01264	2.6
71.07049	0.5
71.07378	0.5
73.02859	0.7
76.34803	0.4
80.29591	0.4
81.88350	0.4
85.02855	1.3
86.07560	0.4
87.00792	1.3
89.02310	0.9
101.02339	1.5
109.02864	0.9
111.00781	1.5
113.02347	1.2
119.03410	0.6
120.99519	2.8
122.03636	0.5
123.00787	4.5
123.04427	0.9
129.96799	0.4
137.02325	0.6
139.00291	1.4
141.01854	1.6
153.01859	0.8
153.05482	0.7
154.05963	0.4
161.04541	0.5
166.99777	10.5
179.07047	0.9
181.01343	2.2
182.02132	80.3
183.02486	4.2
196.03786	0.9
197.04491	100.0
197.08138	5.2
198.04842	5.4
241.05145	0.6
271.09976	0.5
297.30707	0.5
314.65070	0.4
344.08832	0.6
344.12619	1.2
359.09741	13.6
359.14111	1.8
360.10013	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15162	2.4
56.95959	3.0
59.00948	4.9
59.01252	100.0
60.08541	2.6
65.87327	2.4
67.18219	2.6
69.23659	23.3
71.01266	9.0
80.76035	2.7
85.02856	4.5
101.02312	5.7
108.02036	3.2
113.02357	3.4
137.05989	59.7
138.03180	6.1
153.05446	2.3
161.04483	12.2
179.06891	3.3
182.02080	4.0
197.04498	11.6
197.08154	4.4
363.38998	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	359.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97235	2.4
59.01254	92.2
61.05432	2.3
69.55383	15.6
71.01258	69.4
72.99180	6.1
73.02818	10.9
83.01257	5.1
85.02843	15.7
87.00776	4.5
89.02325	71.9
95.01279	5.3
101.02321	50.6
113.02331	38.2
119.03402	32.4
121.02830	3.9
122.03625	7.3
123.04457	4.0
131.03395	4.5
135.04366	3.2
143.03413	4.8
146.03661	16.8
147.28442	2.5
161.04483	7.5
161.06012	7.6
164.04681	12.3
170.32481	2.9
179.05591	4.7
179.07039	43.3
182.05759	26.8
197.04446	3.4
197.08128	100.0
198.08492	4.6
212.40712	3.1
221.06558	3.2
239.05447	4.2
243.73785	2.3
310.79803	2.9
359.09589	8.2
359.13495	32.2
360.13776	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	359.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48957	0.8
55.01756	4.1
57.03035	0.8
57.03317	4.2
58.00461	2.3
59.01253	40.4
62.66098	1.0
71.01259	46.5
71.02186	1.7
72.01583	0.8
72.99171	2.0
73.02821	10.8
75.00779	1.0
83.01262	7.2
85.02825	18.9
85.98986	0.8
87.00745	5.9
89.02326	16.1
95.01260	3.8
97.02800	1.4
99.00789	4.4
100.29668	0.8
101.02328	36.3
102.70599	1.0
108.02047	1.3
109.02840	1.8
113.02325	15.7
119.03387	7.7
121.02846	3.3
122.03640	19.6
123.04463	6.3
124.01553	1.0
125.02362	1.1
129.86168	0.8
131.03372	1.1
136.01550	1.8
137.02351	4.8
137.05946	2.1
151.20399	0.8
154.02574	1.1
159.02885	1.4
161.04459	7.5
163.03902	3.4
164.04715	3.9
179.05580	2.0
179.07065	6.7
182.02222	1.6
182.05772	38.2
183.06075	2.1
197.04510	8.4
197.08141	100.0
198.08455	5.0
211.06012	1.1
221.06715	1.2
232.62529	0.9
239.05525	5.6
327.10690	0.9
359.09668	8.3
359.13531	36.4
360.13834	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	359.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	2.5
61.98692	0.9
70.65311	1.8
74.73911	0.6
85.71430	0.6
88.80185	0.6
102.65681	0.6
121.02846	1.4
123.00819	0.7
149.02380	1.4
152.74409	0.7
163.03893	1.0
164.04707	5.9
167.04916	1.7
171.04401	1.5
179.07077	3.4
185.06013	10.9
195.04434	7.0
196.05197	2.2
197.06122	3.0
197.07784	0.8
199.03949	1.1
199.07538	1.5
207.03465	0.6
211.03914	1.8
212.04747	4.5
213.05518	35.8
214.05870	2.9
223.03944	4.6
224.04735	6.1
227.06831	0.7
239.03465	1.1
240.04213	2.6
241.05034	100.0
242.05386	7.4
255.06433	0.8
256.07401	56.6
257.07803	4.9
267.49420	0.6
271.09756	66.4
272.10117	6.1
283.13477	1.4
287.22427	1.1
301.03653	1.0
313.23792	1.0
326.18884	1.2
329.03024	2.1
341.21231	4.6
358.26886	6.4
359.07565	3.5
359.14966	1.1
359.22305	2.4
359.27820	18.2
360.28238	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	28.0
62.87076	3.9
71.54213	4.1
76.18519	4.2
105.83476	3.9
108.02035	6.3
121.02849	6.4
122.03654	4.5
125.09651	5.7
127.31557	4.9
135.00787	9.2
136.01588	13.0
137.06033	6.5
149.02364	6.9
150.03123	17.9
151.03862	7.0
163.00299	7.9
163.03914	8.5
164.04710	26.0
165.01859	7.6
174.52058	3.8
178.02682	20.0
179.07031	14.7
180.04225	18.4
185.05988	11.0
187.09700	16.9
193.05009	77.3
194.05383	5.5
195.04579	8.6
195.06497	10.0
197.08087	5.1
211.03822	5.7
212.04770	6.3
213.05566	51.7
223.03899	7.1
224.04727	5.4
241.05054	100.0
242.05389	8.8
256.07404	60.9
257.07541	4.5
257.99655	4.2
271.09747	65.5
272.10065	4.9
287.09250	14.4
301.03625	6.2
329.03183	11.0
329.10315	43.5
344.12610	67.7
345.12936	8.3
359.07645	18.3
359.15125	22.6
359.24091	6.1
359.28043	37.3
383.48407	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	2.3
59.38400	1.0
60.27967	1.0
68.98714	1.0
69.96522	3.8
71.01245	1.2
76.03092	1.1
77.03864	1.0
93.03362	3.1
95.01278	1.3
95.04910	1.8
98.19836	1.5
109.02835	1.2
114.58637	1.1
121.02836	12.2
122.03645	7.5
123.04472	1.5
132.02043	1.5
136.01518	2.2
137.02335	1.4
148.05219	5.1
149.02353	100.0
149.05977	6.9
150.03152	42.4
151.03601	1.9
163.07504	1.7
164.04697	13.5
165.05486	43.1
166.05991	2.1
180.04195	3.3
195.06567	11.8
264.07977	1.0
267.10425	1.2
296.10568	28.9
297.10962	2.5
300.44748	1.1
311.12906	66.0
312.13156	6.2
313.23837	2.5
331.83820	1.0
341.13797	1.6
359.15018	3.8
359.28040	27.8
360.28455	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25753	0.3
56.97909	1.6
57.03319	0.6
59.01254	3.7
60.97401	2.0
63.96112	4.9
64.24756	0.3
70.94251	0.7
71.01259	3.2
72.99182	3.2
73.02827	1.3
73.22003	0.3
73.98192	4.5
74.98973	100.0
75.98920	0.4
75.99317	0.9
79.95605	0.3
83.01275	0.5
85.02840	1.8
87.00751	5.6
89.02331	1.6
89.97682	0.3
101.02306	2.1
111.00771	6.3
113.02336	2.0
117.97179	1.1
118.97978	1.1
119.03402	0.7
135.98268	3.6
136.01518	0.4
136.99046	64.9
137.99393	0.7
151.03871	0.6
161.04474	1.1
173.00938	0.6
177.05336	0.3
193.10477	2.9
194.10693	0.3
195.94058	0.4
197.04793	0.3
197.08176	0.5
197.15482	0.4
205.10474	1.0
206.34772	0.3
223.11594	3.1
239.99559	0.3
253.12630	0.5
271.13623	0.5
291.45432	0.3
294.74725	0.3
311.13394	0.7
321.75159	0.3
329.03174	0.4
341.14307	1.1
359.15344	52.2
360.15646	5.2
360.20248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30051	0.4
56.97910	1.8
57.03318	0.4
59.01253	3.6
60.06399	0.4
60.97400	1.4
61.05001	0.5
63.96113	6.2
65.92651	0.3
69.96254	1.1
69.96673	0.8
71.01252	3.2
72.99182	3.5
73.02818	0.8
73.98196	3.0
74.68364	0.4
74.98972	100.0
75.99300	1.3
81.23793	0.4
84.58643	0.3
85.02837	1.6
87.00758	5.9
88.51047	0.3
89.02337	1.4
101.02307	2.3
111.00069	0.6
111.00775	6.4
113.02328	1.3
117.97197	1.2
118.97976	0.5
135.98244	2.8
136.99045	63.7
137.99347	0.6
151.03938	0.5
161.04459	0.7
173.00854	0.5
193.10475	2.9
195.12230	0.3
197.08110	0.4
205.10493	0.9
217.81767	0.4
223.11571	2.7
311.13165	0.4
327.37186	0.4
341.14224	1.0
359.15335	43.9
360.15671	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	359.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52087	1.1
57.72456	1.2
59.01245	24.8
61.79613	1.1
63.34935	1.2
65.39567	1.1
69.26635	3.0
69.27052	7.4
69.66903	1.0
72.48233	1.3
76.16883	1.0
80.90442	1.1
88.12902	1.1
88.94250	1.1
98.20567	2.9
111.28825	1.2
138.56439	1.2
160.15189	1.3
277.21725	100.0
278.22064	9.7
301.03497	2.5
329.03000	5.3
359.07742	9.2
359.21997	18.0
360.22522	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	359.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81458	1.7
54.87922	1.7
57.07819	1.6
59.01254	100.0
59.97844	1.6
71.01219	1.9
71.54215	2.3
79.57787	1.6
83.49570	1.9
86.50160	1.8
113.63387	1.7
133.76909	1.7
154.02898	1.8
179.07001	2.4
197.08063	3.7
223.09691	2.0
295.37564	2.3
299.16287	1.9
301.03748	2.8
315.19391	2.3
329.03018	7.4
344.05276	3.8
359.07861	12.1
359.28040	2.7
361.84930	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01374	0.2
57.03327	1.6
58.03685	0.3
59.01246	0.9
69.03345	0.5
69.23705	2.2
71.04890	0.3
75.33327	0.2
76.21928	0.2
78.19642	0.2
98.19704	0.4
106.44461	0.2
108.02059	0.4
108.35079	0.2
111.00774	0.5
113.09600	0.3
125.09652	0.2
127.11217	0.5
137.06067	0.4
139.11205	0.3
141.12766	0.6
149.02325	0.3
151.03894	0.2
163.03975	0.3
163.07597	0.2
164.04651	0.4
185.11745	0.5
197.08197	0.5
197.15460	0.3
253.21497	0.3
267.23489	0.3
269.25003	0.2
287.22244	0.6
295.22781	0.7
311.22168	1.0
311.25931	1.1
313.23849	6.7
314.24146	1.0
325.23718	0.3
329.03122	0.4
339.25339	0.2
341.26974	1.8
357.26443	1.2
359.07617	0.9
359.28033	100.0
360.15454	0.4
360.28387	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	359.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.3
59.01258	2.5
69.03314	0.2
80.70875	0.2
83.92967	0.2
88.65692	0.2
102.54746	0.2
111.08014	0.3
118.99136	0.2
124.48661	0.2
127.11174	0.4
137.09695	0.3
141.12785	0.7
142.51018	0.2
149.02333	0.5
157.12231	0.4
173.11720	0.3
185.11766	0.5
257.04510	0.4
269.25006	0.3
272.07047	1.2
287.09204	1.0
295.22787	0.4
301.03528	0.4
311.22467	0.5
311.25909	0.9
313.23849	6.7
314.24228	0.8
315.56287	0.2
329.03152	0.6
339.25369	0.3
341.14572	0.3
341.27051	2.0
342.27243	0.2
344.12430	1.1
357.26291	1.3
359.07797	0.9
359.28024	100.0
360.28366	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	360.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38113	0.7
53.34943	0.7
53.56685	0.8
58.27272	0.7
59.01250	6.0
60.40926	0.9
70.87168	1.6
71.01257	0.9
73.51239	0.7
78.97136	0.7
79.95602	1.2
80.96407	1.4
85.02826	0.9
87.00757	2.6
87.67176	0.8
87.93061	0.8
89.02338	1.2
108.02060	8.3
138.01880	100.0
139.02203	2.7
151.02605	0.7
196.95833	1.4
199.09694	1.6
325.31500	0.8
337.71237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35479	1.8
59.01250	100.0
69.89493	3.1
69.89898	5.4
71.01257	4.1
72.06678	1.9
79.95602	12.8
80.96384	10.2
85.02835	2.8
87.00757	17.6
87.64342	2.2
94.00932	1.9
98.19872	2.5
101.02377	2.5
107.81755	1.9
111.00786	7.0
123.03191	2.4
138.01878	3.6
138.05504	67.0
139.05878	2.0
139.88255	1.9
145.02879	5.2
146.22148	2.3
147.78149	2.1
167.05789	2.2
168.96294	8.1
180.06485	3.1
196.95758	20.6
198.99901	2.4
214.96806	13.2
300.10916	27.0
361.00668	4.1
361.15103	4.5
364.54791	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	361.0058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16825	1.3
50.28702	1.3
58.99471	3.2
59.01256	8.3
70.45396	3.5
70.45744	2.2
71.01251	4.2
79.95607	91.2
80.96393	68.8
85.02808	2.8
85.37480	1.4
87.00751	85.3
94.97927	1.8
96.95909	2.9
102.98488	9.2
111.00767	7.2
112.18918	1.5
113.02378	1.6
119.04968	1.8
124.93628	6.1
126.95179	13.7
138.05481	1.9
145.01437	1.3
145.02849	4.1
152.96759	21.1
163.03880	1.8
168.96257	32.5
196.95776	100.0
197.96063	2.1
198.99907	1.6
201.88205	1.4
214.96838	50.2
271.09604	2.7
361.00592	19.8
361.05106	1.6
361.09570	4.4
361.14911	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	361.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.4
59.56744	0.3
68.99684	0.5
70.26158	0.3
70.70404	0.3
71.01290	0.4
71.54106	0.3
93.03348	0.3
99.00748	0.6
101.02341	0.3
107.04888	0.4
117.06625	0.3
121.02852	4.3
135.04422	16.4
136.04843	0.5
137.02382	0.4
146.03658	0.3
149.02350	36.3
150.02698	1.3
151.03899	0.4
164.04704	100.0
165.05034	4.5
166.06287	5.3
179.07063	67.9
180.07391	4.3
181.08647	4.0
202.94879	0.3
225.24316	0.3
229.84758	0.3
239.40620	0.4
361.16589	1.0
361.25955	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.4
59.56744	0.3
68.99684	0.5
70.26158	0.3
70.70404	0.3
71.01290	0.4
71.54106	0.3
93.03348	0.3
99.00748	0.6
101.02341	0.3
107.04888	0.4
117.06625	0.3
121.02852	4.3
135.04422	16.4
136.04843	0.5
137.02382	0.4
146.03658	0.3
149.02350	36.3
150.02698	1.3
151.03899	0.4
164.04704	100.0
165.05034	4.5
166.06287	5.3
179.07063	67.9
180.07391	4.3
181.08647	4.0
202.94879	0.3
225.24316	0.3
229.84758	0.3
239.40620	0.4
361.16589	1.0
361.25955	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.8
58.47563	1.0
59.01248	11.8
60.97384	1.8
63.96110	9.1
66.38361	1.0
70.26801	2.8
70.27155	1.7
71.01258	5.0
72.99183	8.0
73.98195	7.7
74.98978	10.5
76.46929	1.1
76.96887	5.5
79.95625	5.8
85.02831	2.0
87.00751	35.4
88.01046	0.9
89.00540	3.7
89.02326	1.7
93.18833	1.0
98.03611	3.7
101.02310	4.2
107.04866	1.3
109.06507	1.1
111.08010	3.0
113.02320	1.4
117.97221	1.3
119.03361	1.3
120.99519	3.6
123.08028	2.8
125.05966	3.4
128.73489	1.0
132.99547	23.9
135.57845	1.2
135.98239	4.6
139.07558	32.8
141.08113	1.4
141.09125	23.1
149.05965	4.4
151.00613	61.6
161.09637	1.4
163.11177	2.1
165.09053	1.5
171.62527	1.0
177.12732	1.7
179.10670	1.9
187.11208	3.5
189.09096	1.6
190.09900	1.3
195.08394	1.1
205.12273	14.9
206.12755	1.4
211.13338	4.3
221.09990	1.8
232.60001	1.1
238.94879	1.1
239.11102	7.2
257.12143	21.9
258.12506	1.5
265.10471	1.0
266.72668	1.2
275.13165	3.8
284.03464	1.0
345.13708	1.4
363.14825	100.0
363.24094	3.8
364.15073	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	363.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	1.1
59.01239	1.6
60.97392	1.5
63.96109	7.4
65.42062	0.7
69.54544	4.1
71.01263	0.9
72.99185	5.0
73.98190	5.3
74.98969	5.6
76.96894	4.0
78.31005	0.7
79.95624	4.5
87.00756	21.4
89.00528	1.9
89.52023	0.6
90.44566	0.6
93.12975	0.6
94.50024	0.6
98.03622	2.1
101.29060	0.6
111.08042	1.7
117.97210	1.2
120.99535	1.0
123.08038	1.3
125.05945	2.5
126.28558	0.6
129.44878	0.6
132.99561	16.3
135.98254	3.4
136.99059	1.2
137.09589	0.7
139.07552	14.6
140.07867	0.9
141.09123	17.0
142.09435	0.9
143.10640	0.9
149.05988	2.0
151.00620	46.7
152.00984	0.9
161.09605	1.2
177.07280	0.8
177.12825	0.9
179.10625	0.9
187.11195	2.9
189.09140	1.0
190.09947	0.8
193.12462	0.6
195.08409	1.4
203.33545	0.7
205.12318	9.9
206.12769	0.7
211.13397	2.1
239.11168	3.2
242.64034	0.8
257.12125	13.0
258.12555	1.0
275.13095	3.7
298.48315	0.7
318.05475	0.7
345.13791	1.9
363.14838	100.0
364.15140	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	363.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.0
59.01246	1.9
69.47989	2.1
69.48399	2.7
69.71335	0.9
71.01235	0.9
71.04884	1.6
85.02825	1.4
87.00754	30.3
89.00501	0.9
98.03597	2.2
101.05960	1.3
105.03672	3.1
113.05968	19.9
114.06313	0.9
120.99545	3.1
123.08063	5.7
125.09600	0.8
126.16187	0.7
127.07542	3.3
137.09616	12.0
139.05775	2.7
139.07507	1.2
139.50607	0.8
141.09122	8.9
143.10683	4.4
149.09616	4.6
151.11157	1.1
151.89171	0.9
153.09119	5.0
161.09636	8.6
163.11172	1.6
167.10703	2.5
171.10143	1.1
175.11188	3.3
177.07384	9.3
179.10719	5.8
187.11229	10.7
193.06924	0.8
193.12296	3.4
195.08455	6.7
205.12262	6.1
209.11716	1.4
241.14445	9.6
242.14693	1.2
244.89349	0.7
275.13232	41.2
276.13623	3.5
338.61298	0.8
350.72940	0.9
363.14825	100.0
364.15152	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.8
57.03331	8.1
58.00458	6.6
59.01254	96.6
71.01259	94.6
71.54455	1.7
72.99187	9.0
73.02824	17.7
74.03178	1.7
75.00758	2.1
83.01260	11.7
85.02824	41.6
85.06320	1.6
87.00755	7.2
87.04404	2.6
87.99886	1.6
89.02321	55.2
90.02715	1.6
90.75077	1.5
95.01254	6.8
99.00736	6.0
101.02328	70.3
101.03004	3.8
102.02653	2.3
111.00779	2.0
113.00562	3.6
113.02341	29.2
113.40346	1.5
119.03404	27.5
121.10125	8.5
125.02372	1.7
129.01857	2.8
143.03429	4.7
149.04434	1.8
159.02872	4.3
161.04463	18.2
179.05588	5.9
183.10152	4.4
201.11287	4.0
205.03453	3.0
219.17938	1.7
242.55508	1.5
257.21332	1.6
309.65076	1.6
319.17645	5.5
363.16632	100.0
364.17084	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.3
57.03323	4.3
58.00469	2.5
59.01252	100.0
71.01260	29.4
71.53916	2.5
72.99168	2.0
73.02831	7.1
81.95218	1.5
83.01261	2.9
85.02822	10.1
87.00774	2.5
89.02311	21.7
95.01237	2.9
96.70682	1.3
99.00785	2.1
101.02328	25.5
113.02325	13.7
113.05972	1.5
119.03386	10.3
129.01788	1.9
143.03452	1.8
145.02852	2.0
161.04494	8.6
179.05527	2.6
183.10187	3.0
202.11533	1.5
219.99507	1.2
291.61093	1.6
363.16614	68.0
364.16922	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	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44019	0.5
53.78620	0.5
59.01253	100.0
60.01577	1.2
67.82765	0.5
69.29664	2.5
69.30083	2.4
71.01258	2.9
73.02824	1.0
73.73128	0.5
76.79306	0.5
76.98738	0.5
83.01295	0.5
84.71123	0.5
89.02325	1.7
101.02337	2.3
103.19875	0.6
113.02368	1.5
113.44569	0.6
161.04489	0.7
196.31386	0.5
209.42896	0.5
226.98026	0.5
322.12964	0.8
363.14804	1.1
363.23993	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08547	2.2
52.38799	2.2
57.03316	5.3
57.55796	1.9
59.01257	25.3
69.31580	19.1
71.01273	3.3
71.04933	2.2
83.04890	6.7
85.02838	4.6
91.94032	2.3
95.09733	2.5
96.95890	18.6
97.06464	2.8
98.20521	4.8
101.05959	7.1
104.13846	2.1
122.03642	14.3
135.04419	23.3
136.05205	63.3
137.05911	5.2
141.09114	14.6
147.04495	4.8
148.05203	45.9
149.05898	3.2
151.06400	2.4
151.07565	9.8
151.79341	2.7
154.11653	2.4
159.04433	2.2
163.07576	18.1
164.04732	8.3
165.09134	11.6
168.11147	2.3
172.05235	3.2
174.06847	4.0
176.08369	3.2
179.07076	16.0
186.06795	11.4
187.07631	6.3
189.09102	2.9
192.07864	12.8
201.09123	11.4
202.09938	100.0
203.10309	5.7
207.10191	5.7
212.08345	2.6
217.12302	35.1
218.09416	3.3
220.11060	7.7
225.79123	2.4
229.08778	3.5
230.09415	5.9
235.13330	3.5
245.11987	2.7
248.10419	2.4
288.13721	27.8
289.14240	2.5
303.16037	30.4
306.14758	20.3
321.17068	74.5
322.17328	5.9
333.13559	3.0
365.16129	21.3
366.16196	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.4
57.03305	0.9
58.00453	1.5
58.51451	0.8
59.01253	29.5
62.38999	0.7
70.09378	0.7
71.01255	16.8
71.54128	0.8
72.99197	1.2
73.02821	4.1
77.94237	0.6
83.01258	3.0
85.02821	8.3
87.00753	1.8
89.02303	7.9
95.01274	1.8
96.95885	2.5
99.00756	1.7
101.02320	13.7
111.00739	0.8
112.34784	0.7
113.02333	7.6
119.03379	2.5
127.11202	1.6
139.11205	1.4
157.12239	6.2
161.04474	2.1
185.11751	3.0
199.13301	0.8
203.12805	16.0
204.13213	1.4
365.18130	100.0
366.18454	7.5
385.05020	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85204	1.5
57.03294	2.7
58.00438	1.9
59.01255	100.0
61.98712	1.7
63.08094	1.6
64.48652	1.6
69.82272	8.2
71.01260	43.6
72.99182	5.1
73.02831	2.5
83.01262	3.9
85.02827	21.6
86.41763	1.6
87.00755	3.7
89.02326	44.6
95.01257	5.0
101.02327	26.0
113.02342	16.5
119.03397	20.4
131.03395	1.9
134.05667	1.8
136.03934	1.7
149.04405	2.1
161.04475	1.9
164.01390	2.1
185.11703	4.4
186.88417	1.8
191.01848	2.2
203.12892	3.2
270.21982	1.6
365.18164	55.2
366.18591	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	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70844	0.5
59.01255	100.0
59.91863	0.4
60.01590	1.0
66.91491	0.4
70.85754	0.5
70.86069	1.0
71.01256	0.8
73.41701	0.4
88.86356	0.5
89.02319	0.5
96.95990	0.5
101.02332	0.6
161.07755	0.5
171.57860	0.4
214.03291	0.5
342.09024	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2695
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01257	3.1
69.65381	3.6
71.01252	1.2
85.06458	2.2
96.95889	0.9
101.02309	0.8
109.14658	0.6
185.17494	0.6
199.13310	1.3
235.96828	0.8
279.19641	16.0
280.19931	1.9
329.41690	0.6
333.75189	0.7
347.25928	6.3
348.26392	1.0
365.26953	100.0
366.23068	1.2
366.27335	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	367.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.0
59.01252	5.5
60.99181	2.0
66.06384	0.2
67.01402	0.3
67.01762	5.5
69.03329	2.1
71.01258	2.9
71.09189	0.6
73.02819	0.5
80.87679	0.2
81.03323	1.2
83.04898	1.3
85.02827	7.0
87.00222	0.5
87.00754	9.2
89.02331	0.4
89.03836	0.4
93.03341	34.7
94.03685	1.3
99.00791	0.4
99.04392	0.7
101.02313	0.5
109.02847	1.2
111.00762	0.5
111.04406	5.6
113.02317	0.9
117.03324	1.3
119.04939	0.6
121.02784	0.3
125.02361	0.2
127.03900	1.5
129.01816	1.0
134.03641	16.6
135.03957	0.8
137.02327	0.7
139.02274	0.3
143.03384	0.4
145.02823	0.4
149.02344	0.5
149.05997	1.1
155.03410	0.9
160.01561	0.6
171.02940	0.4
173.04475	14.3
174.04820	0.7
175.03923	0.8
178.02664	0.3
191.05548	100.0
192.04254	0.4
192.05896	4.1
193.05006	6.7
194.05347	0.3
194.15752	0.3
221.06642	0.2
307.17584	0.4
367.10309	2.6
368.10593	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	15.7
59.01246	100.0
63.64734	11.1
71.01252	28.7
78.91346	12.4
85.02823	49.9
87.78863	12.3
89.02325	20.0
89.99366	10.4
101.02365	15.5
111.00774	15.1
119.04922	20.5
125.02331	15.4
130.26228	10.6
130.37134	10.6
134.03667	15.8
137.02283	12.0
138.53625	12.0
145.02855	16.3
161.04500	21.6
163.03940	32.8
163.81853	11.9
165.01869	42.7
173.00916	17.1
186.53386	12.4
201.09171	55.0
221.06494	22.8
236.60539	14.9
287.05566	17.2
332.65662	14.2
367.11276	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	367.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	5.7
59.01251	31.8
64.24509	4.9
69.26645	23.4
69.27063	22.7
71.01250	16.2
75.94299	5.2
83.04890	6.6
85.02794	9.0
116.63354	5.3
118.05673	6.2
125.02345	37.7
128.36964	5.9
135.04401	6.9
137.02345	47.5
145.02927	8.1
146.03658	8.8
149.05960	8.0
151.03917	11.9
164.01019	39.8
165.01843	68.7
172.05229	17.8
173.05896	9.3
177.01888	15.7
187.07628	12.7
190.02623	17.7
200.04727	7.8
201.09155	32.6
205.05052	11.1
205.12154	7.0
229.08691	31.1
233.15446	16.8
266.24951	5.5
277.14343	14.3
281.11780	6.8
283.09875	8.7
294.09131	8.2
305.17596	8.1
309.93631	6.3
323.12860	28.4
349.16675	20.8
367.11795	100.0
367.16827	12.7
368.12082	10.4
370.53549	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	367.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	4.5
57.03335	4.5
58.00474	1.8
59.01253	33.9
60.08919	0.6
68.99746	0.7
69.03342	1.0
69.83913	1.1
69.84322	2.2
71.01257	52.6
72.01612	1.1
72.99188	3.2
73.02819	28.8
75.00753	1.6
83.01254	11.1
85.02828	29.1
85.43870	0.7
85.99982	1.1
87.00763	3.6
89.02328	12.7
92.45644	0.7
93.03366	1.4
95.01289	4.3
97.02834	1.9
98.19876	0.9
99.00764	11.0
99.02538	0.7
101.02328	58.5
102.02666	1.2
111.00772	1.2
113.02332	21.8
115.03901	1.7
119.03449	0.9
125.01561	0.6
125.02293	3.6
129.01859	1.6
131.03363	4.2
134.03648	4.5
143.03397	3.0
149.04456	1.4
159.02893	4.1
161.04472	20.7
162.04800	1.0
163.03944	0.8
165.16357	0.7
173.04482	1.2
187.63431	0.7
191.05528	5.0
193.05031	5.6
205.03455	0.9
233.06644	3.0
235.11841	100.0
236.12177	5.9
272.49246	0.7
279.10806	1.9
291.85184	0.7
310.08603	0.7
367.16058	70.0
368.16605	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	367.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00439	1.7
52.66882	1.7
55.01752	6.0
57.03318	3.4
58.00488	1.6
59.01252	31.2
71.01254	50.8
71.54105	2.4
72.99198	1.8
73.02439	2.2
73.02821	26.7
78.94769	1.7
83.01255	9.1
85.02821	27.2
87.00748	3.9
89.02326	13.8
93.03342	2.8
99.00739	8.6
101.02319	46.7
113.02341	16.6
121.02860	2.0
131.03407	4.3
142.08047	1.7
143.03415	2.5
147.11902	1.7
149.02309	5.9
151.03894	2.5
159.02864	5.3
161.04486	16.4
173.04431	3.1
176.52707	1.5
191.05545	7.5
205.03410	2.1
233.06485	2.6
235.11832	100.0
236.12160	4.2
300.97614	1.8
307.10056	1.9
340.55893	1.6
367.16058	76.7
367.20639	4.0
368.16217	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	367.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.8
58.55507	0.5
59.01255	100.0
60.01601	0.6
62.52659	0.6
69.41294	1.4
69.41705	2.8
71.01260	4.6
72.99204	0.9
73.02829	1.2
83.01257	0.7
85.02824	4.9
87.00760	1.5
89.02337	1.3
93.03316	2.7
96.80597	0.5
99.00771	1.2
101.02339	4.3
111.00773	5.0
113.02374	1.6
114.04150	0.5
117.03298	0.8
119.03412	0.6
119.04989	0.5
129.01872	2.1
134.03627	1.7
136.40181	0.6
141.19215	0.5
145.02875	2.4
149.02370	0.8
159.02808	0.6
161.04486	2.5
163.04048	1.0
173.00871	1.7
173.04517	1.5
176.78967	0.6
191.01917	0.5
191.05579	3.7
193.01483	0.6
193.05070	0.7
307.17596	8.5
367.18832	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	367.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.30619	1.2
61.02677	1.2
62.27062	1.3
71.01263	3.4
71.54592	1.8
72.88260	1.5
77.88470	1.3
78.15801	1.3
96.95906	3.9
101.02309	2.7
108.01977	1.2
150.56610	1.3
217.58873	1.3
307.10498	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	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99706	1.6
55.01754	3.0
57.03328	16.2
59.01255	5.1
59.33178	1.6
67.01768	2.2
71.01255	13.6
71.95818	1.8
72.99182	2.9
73.02810	2.1
75.00745	2.6
83.01261	11.5
83.79954	1.7
84.02058	3.4
85.02827	100.0
86.03152	2.7
87.00745	1.7
93.03353	6.9
101.02335	8.6
109.02895	2.7
111.00774	35.5
119.04937	9.7
121.02850	2.2
123.04418	1.6
125.02347	4.2
126.44255	1.9
129.01828	27.1
131.03403	6.9
137.02347	3.8
151.03963	3.9
163.03896	9.9
173.04478	6.7
173.05925	1.9
175.02350	3.1
187.02400	2.7
191.05664	2.6
205.03476	28.0
207.02911	2.4
207.06511	3.0
223.04567	81.3
224.04907	2.5
357.22656	1.7
369.08032	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	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51669	0.8
56.74587	0.8
57.01523	0.9
57.03312	1.1
59.01251	2.6
60.99176	2.0
66.29562	0.7
67.01762	5.6
69.45657	5.0
71.01250	2.3
81.03275	1.3
85.02824	15.2
87.00747	8.3
93.03336	30.5
94.03673	1.3
94.38586	1.0
99.04317	1.0
105.03338	1.6
109.02826	2.6
111.00786	2.4
111.04423	5.4
121.02818	1.3
122.03600	1.1
123.04418	37.5
124.04728	1.5
127.03901	2.3
129.01837	2.9
133.02847	12.1
135.04384	1.3
137.02328	1.5
149.02336	1.7
151.03906	2.4
155.03374	1.7
173.04465	30.0
174.04784	1.0
177.01866	8.5
179.17421	0.8
185.94888	1.0
191.05542	100.0
192.05942	5.4
195.02927	15.6
201.22433	0.9
205.03421	1.3
206.02049	1.0
223.04501	3.1
241.82913	0.9
267.89301	0.8
270.55289	0.8
351.07239	2.2
369.08252	24.9
370.08524	2.4
383.41391	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	5.6
57.03326	15.5
59.01247	3.0
67.01766	4.8
67.52931	1.7
68.87158	1.9
69.26715	1.7
70.70899	1.5
71.01255	10.6
71.08690	3.7
72.99185	2.5
73.02817	3.9
75.00751	3.3
81.03343	2.1
83.01244	10.0
83.60687	1.7
84.02052	1.8
84.97488	1.5
85.02828	100.0
86.78847	1.5
87.00758	8.4
93.03336	30.1
94.03636	2.0
101.02334	6.3
105.03342	1.9
107.04892	2.0
109.02848	2.3
111.00771	22.6
111.04408	4.7
119.04918	11.1
121.02811	1.5
123.04428	30.2
125.02247	2.1
127.03890	3.1
129.01843	34.9
133.02855	10.3
148.65207	1.8
151.03868	1.8
163.03947	7.7
173.04497	23.4
177.01840	7.3
186.76018	1.7
191.05550	75.6
192.05843	2.6
195.02930	9.6
205.03465	15.9
207.57840	1.5
215.05521	1.7
223.04576	22.4
363.08392	2.1
369.08197	14.9
370.08252	1.9
389.17142	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	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53566	1.5
55.01752	2.9
55.72853	1.4
57.03331	14.7
59.01245	4.0
67.01762	2.0
69.68459	9.1
71.01253	6.0
72.99157	2.2
73.02810	2.5
75.00719	1.5
83.01247	9.3
84.02022	2.2
84.96295	1.6
85.02824	100.0
86.03178	2.6
87.00761	2.8
89.04350	1.6
89.18731	1.4
93.03336	3.1
101.02332	5.6
105.91330	1.5
111.00761	22.6
119.04922	8.0
119.84129	1.4
123.04474	2.6
129.01834	33.6
130.02074	2.1
131.03366	5.3
133.02806	3.5
147.02872	1.8
153.36246	1.6
161.04497	3.2
163.03912	7.6
173.04427	2.5
191.01846	2.9
191.05489	8.0
194.21153	2.1
195.02867	1.7
205.03487	25.1
223.04541	50.6
224.04800	1.7
258.45883	1.5
285.27863	1.7
343.92581	2.0
369.08218	4.4
369.12390	1.6
372.77621	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	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12777	1.0
57.03334	2.3
59.01244	5.4
60.99181	3.2
67.01757	6.6
68.68382	1.0
69.03338	2.8
69.10836	1.0
71.01259	4.4
72.99194	1.3
73.02830	1.5
81.03350	2.8
83.01254	1.8
83.04897	1.6
85.02824	23.8
85.21399	0.9
87.00744	14.9
88.46081	0.9
89.03831	1.8
93.03336	53.2
95.01233	1.4
97.02844	1.2
98.20551	2.3
99.00770	2.8
101.02315	1.9
105.03342	1.8
105.95590	1.0
107.04928	1.5
108.02068	4.3
109.02834	6.0
111.00776	3.4
111.04407	6.0
113.02351	1.6
119.04921	3.9
121.02888	2.9
122.03694	1.0
123.04414	34.6
124.04784	1.2
125.02342	2.4
127.03902	2.0
129.01833	6.6
131.03409	6.5
133.02869	11.0
137.02299	2.3
149.02362	2.4
151.03918	14.6
155.03438	2.5
161.04414	1.2
163.00270	1.0
163.03952	3.8
165.05496	1.6
170.66971	1.0
173.04471	35.1
174.04970	1.4
177.01871	8.4
189.94678	1.1
191.05540	100.0
192.00580	5.9
192.05901	4.1
193.03407	2.0
195.02919	15.0
205.03490	4.4
207.03004	5.1
207.04796	1.1
223.04572	7.4
350.93851	1.0
366.97427	1.1
369.03809	1.8
369.08276	19.4
370.08566	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	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.1
57.03324	21.7
59.01250	9.4
61.48514	1.9
67.01756	2.2
71.01262	11.9
72.99195	2.7
73.02830	4.9
75.00766	2.0
83.01260	11.3
85.02829	100.0
86.03166	3.9
87.00762	2.0
89.02341	3.2
93.03365	4.3
94.37415	1.8
98.20563	3.8
99.00797	1.7
101.02348	8.8
111.00772	26.7
119.04922	13.9
123.04396	3.7
126.06511	1.7
129.01840	32.8
131.03476	2.6
133.02908	2.4
147.02885	3.3
158.86192	1.8
161.04434	3.3
163.00224	5.0
163.03888	10.8
173.04457	2.5
190.99846	4.2
191.05557	7.4
192.00563	2.4
205.03465	19.7
207.02962	2.5
223.04561	29.4
237.12468	3.8
246.59903	1.8
260.97021	1.9
369.08194	3.4
369.16559	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1189
Annotation	Hapalindole F
Peak:m/z	Relative Intensity
55.01746	0.5
57.03331	0.4
59.01254	3.4
61.98704	0.5
69.36259	1.7
71.01258	3.7
72.99205	0.2
73.02811	1.6
75.00750	0.3
83.01268	1.1
85.02822	3.0
87.00761	0.5
89.02327	0.7
93.03367	0.3
95.01315	0.3
99.00754	0.5
101.02314	3.4
101.02914	0.3
109.02811	0.2
111.00760	0.4
113.02329	1.4
117.03353	22.4
118.03671	0.8
119.04916	6.0
120.05197	0.3
121.02851	0.3
123.04427	0.4
129.01753	0.3
135.94873	0.2
137.02357	0.6
139.03882	0.6
145.02858	100.0
146.03198	5.2
161.04466	0.8
163.03923	9.2
164.04250	0.4
173.00861	0.4
174.01598	1.0
191.01933	0.2
191.05539	0.4
204.19337	0.2
223.04576	0.3
223.08199	0.4
239.05695	0.2
307.08295	0.3
369.11893	38.2
370.12274	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	369.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97059	1.5
53.70206	1.4
54.75299	1.6
58.44418	1.6
59.01250	11.4
61.98697	2.1
68.99684	1.8
69.22302	13.2
71.01254	5.9
72.99164	2.0
73.01787	1.5
73.02807	2.4
75.57915	1.5
83.01268	2.1
83.93513	1.6
85.02827	14.0
87.00771	5.0
89.02325	5.1
90.12119	2.0
93.03333	1.6
100.27656	1.6
101.02330	5.5
109.02822	3.4
113.02348	2.4
113.99468	7.2
115.00236	3.4
117.03360	24.2
119.04916	6.0
124.01562	23.8
138.41685	1.6
139.03917	47.0
140.04283	2.1
145.02866	100.0
146.03233	3.1
161.04478	1.7
163.03908	9.3
174.01608	35.4
177.01851	2.1
191.01942	2.1
191.05646	3.9
192.05968	2.0
223.04593	1.9
272.62094	1.9
289.07288	1.9
309.09732	3.5
366.16852	1.7
369.11890	61.2
369.18890	2.8
370.12186	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	369.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97059	1.5
53.70206	1.4
54.75299	1.6
58.44418	1.6
59.01250	11.4
61.98697	2.1
68.99684	1.8
69.22302	13.2
71.01254	5.9
72.99164	2.0
73.01787	1.5
73.02807	2.4
75.57915	1.5
83.01268	2.1
83.93513	1.6
85.02827	14.0
87.00771	5.0
89.02325	5.1
90.12119	2.0
93.03333	1.6
100.27656	1.6
101.02330	5.5
109.02822	3.4
113.02348	2.4
113.99468	7.2
115.00236	3.4
117.03360	24.2
119.04916	6.0
124.01562	23.8
138.41685	1.6
139.03917	47.0
140.04283	2.1
145.02866	100.0
146.03233	3.1
161.04478	1.7
163.03908	9.3
174.01608	35.4
177.01851	2.1
191.01942	2.1
191.05646	3.9
192.05968	2.0
223.04593	1.9
272.62094	1.9
289.07288	1.9
309.09732	3.5
366.16852	1.7
369.11890	61.2
369.18890	2.8
370.12186	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	369.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57290	0.6
54.84552	0.6
57.03320	0.7
59.01256	3.3
61.98701	0.7
71.01234	1.2
71.54305	0.8
85.02831	1.7
89.03846	10.6
91.01759	0.9
93.03355	1.4
104.43932	0.6
109.02830	1.0
117.03354	47.2
118.03692	2.2
118.47025	0.7
119.04941	3.4
121.02824	1.5
123.04377	0.9
135.04419	3.3
136.63841	0.6
138.03148	0.7
143.04744	0.6
145.02863	2.1
147.04378	1.2
158.03679	0.8
160.05261	1.1
163.03975	0.7
163.65608	0.6
173.05992	1.2
174.06726	1.4
177.76163	0.6
178.02533	0.7
191.03435	18.1
192.03835	1.1
195.04388	1.0
223.04022	3.1
237.09206	0.8
239.03482	2.8
250.02725	1.3
251.03456	2.0
251.07130	2.6
252.07941	4.4
264.04337	0.6
265.05115	1.9
265.08664	0.9
266.09442	1.9
267.02997	15.6
267.10376	0.9
268.03580	1.0
279.06601	2.8
280.07391	13.1
281.04568	2.1
281.07693	1.3
282.05365	8.8
282.12558	0.9
283.05655	0.9
284.06796	1.8
294.09018	2.8
295.09750	24.2
296.06970	1.1
296.10135	2.0
297.07678	29.4
297.11133	1.4
298.08035	3.1
301.03394	1.2
309.11292	5.4
310.11945	0.8
311.09375	4.6
312.09872	1.2
325.10745	1.6
325.14188	0.9
354.10986	2.4
369.13419	100.0
370.13751	12.8
371.07617	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56679	0.5
57.03303	1.0
59.01250	2.9
64.88671	0.6
69.23911	3.6
69.24314	1.3
71.01253	1.0
80.25217	0.5
85.02814	0.8
88.65233	0.6
101.02345	0.8
106.75575	0.6
137.84164	0.6
163.03877	0.8
175.04013	1.2
178.02629	3.1
184.01230	0.5
195.04445	2.4
211.03964	1.1
223.03990	10.8
224.04303	0.9
237.05516	0.6
239.03499	9.5
240.03816	0.6
250.02689	4.9
251.03473	7.2
252.03903	0.7
253.05016	0.7
254.05882	1.1
264.04163	0.9
265.05109	6.0
266.02252	1.2
267.02997	52.2
268.03326	4.9
281.04535	5.9
282.05356	24.7
282.07788	0.5
283.02942	0.5
283.05746	3.8
295.06064	1.6
296.06970	3.2
297.07681	100.0
298.08051	9.1
310.08594	1.4
310.12000	0.7
311.05740	1.1
311.09201	14.3
312.09860	3.6
313.10666	1.0
325.10675	4.9
326.11456	1.9
329.06665	1.6
344.09134	2.1
354.11102	10.6
355.11456	1.5
369.13425	100.0
370.13770	12.1
387.28937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00125	0.3
51.86659	0.3
57.03317	0.8
59.01248	2.5
59.80322	0.3
60.66319	0.4
61.98675	0.5
71.01239	0.4
71.23839	0.6
73.02750	0.4
85.02827	0.3
89.02267	0.4
99.07987	0.4
101.02337	0.3
117.03323	0.5
119.04917	0.9
125.51219	0.4
133.05128	0.4
145.02831	0.5
147.04379	0.8
161.02402	0.4
163.03909	0.6
167.04968	0.6
168.98921	0.6
175.03845	1.0
178.02577	2.7
195.04483	2.2
211.04013	1.2
222.07416	0.3
223.01888	0.8
223.03960	11.3
224.04369	1.0
229.63710	0.4
232.71904	0.3
232.74284	0.3
235.03796	0.5
237.05577	0.5
238.02733	0.4
238.06319	0.5
239.03455	9.3
240.03853	1.0
241.05070	0.7
250.02669	3.8
251.03444	6.9
251.07072	0.6
252.03914	0.8
252.07733	0.5
253.05023	1.5
254.05818	1.2
254.11491	0.4
264.04245	1.0
265.05057	6.6
265.08057	0.6
266.02206	1.2
267.02972	52.1
268.03323	3.9
279.06570	0.5
280.03867	0.6
280.07358	0.6
281.04614	6.2
281.07578	0.6
282.05328	27.7
283.05817	3.2
295.06073	1.5
295.09430	0.5
296.06836	3.7
297.07672	99.8
298.08066	9.2
310.08469	1.1
311.05719	1.1
311.09229	14.3
312.09891	4.6
313.10648	0.9
325.10779	6.0
326.11429	2.5
329.06802	1.1
339.08710	1.1
344.08875	2.0
354.11072	8.8
355.11295	1.0
369.13409	100.0
369.26089	2.5
370.13757	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	369.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01580	0.8
69.33958	5.6
82.91981	0.7
90.72994	0.7
98.19762	1.3
122.65392	0.7
158.32445	0.7
168.98923	0.8
171.73363	0.8
184.17169	0.8
184.58360	0.8
195.04515	1.1
223.03990	1.1
239.03442	1.6
251.03470	1.4
267.02954	7.3
268.03287	1.0
282.05386	5.2
297.07678	14.0
298.08136	2.4
311.09375	2.1
325.11035	1.6
334.51346	0.9
339.08722	1.0
354.11270	2.0
369.13416	18.1
369.26645	1.9
370.13791	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	369.3009
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
57.22606	0.7
67.86994	0.8
68.11834	0.8
74.34447	0.8
83.48690	0.7
83.92628	0.8
140.93448	0.8
145.56105	0.8
149.69397	0.8
214.46722	0.8
276.46832	0.8
307.30066	63.5
308.30496	9.1
325.31219	1.6
351.29056	18.0
352.29285	1.6
369.30093	100.0
370.30469	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	371.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65925	1.0
57.03332	8.1
59.01255	6.3
71.01257	11.9
71.23369	1.5
72.99216	2.2
73.02863	1.6
75.00780	2.9
83.01259	2.8
85.02832	79.0
86.03157	1.7
87.00765	17.5
89.02336	3.2
93.03346	3.4
103.00271	1.4
111.00761	1.8
129.01839	6.4
133.01309	6.5
135.04424	9.1
136.01558	2.1
146.03711	1.5
147.02939	3.7
149.06039	2.1
151.03954	2.9
161.52498	1.2
173.00897	1.7
173.04460	3.5
176.04709	1.5
179.03474	1.6
179.07085	2.5
191.01920	34.6
191.05554	15.9
192.05824	1.3
209.02989	100.0
210.03380	3.3
219.06700	1.4
220.71675	1.3
231.06648	1.3
232.03870	1.2
232.20596	1.2
235.06142	5.6
247.06204	1.7
265.07104	2.1
290.01740	1.4
371.05774	1.7
371.09921	17.8
372.10385	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	371.062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14450	0.7
55.01739	1.2
57.03333	7.6
57.85803	0.8
59.01250	10.0
61.98695	1.4
68.99690	1.7
69.42097	5.8
71.01249	12.4
72.99161	2.1
73.02805	1.3
75.00734	2.6
83.01250	2.5
84.02031	2.6
85.02822	79.5
86.03133	1.8
87.00760	12.8
89.02306	4.6
93.03333	2.3
101.02322	2.6
103.00269	1.7
111.00743	3.0
115.00255	1.4
123.04411	0.9
129.01820	5.4
133.01332	6.2
134.03606	3.3
134.18628	0.9
135.04410	7.7
136.01549	3.2
146.03664	0.9
147.02887	5.1
148.05110	1.1
149.05960	1.9
151.03906	3.0
159.28844	0.8
161.02362	1.3
173.00812	1.8
173.04422	3.0
174.88202	0.8
179.03410	1.9
179.07069	1.4
191.01910	31.3
191.05530	18.6
193.04927	2.4
195.34065	0.9
209.02966	100.0
210.03348	3.0
235.06116	4.3
247.06148	1.4
252.81766	0.8
265.07263	1.7
371.09793	14.7
372.10046	1.2
378.91840	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0773
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01268	1.1
69.46520	1.1
77.03873	0.3
89.02298	0.2
101.02281	0.2
101.85730	0.2
111.88415	0.2
119.26804	0.2
121.02850	100.0
122.03181	3.8
135.04459	0.3
149.02356	0.7
151.03940	0.3
157.15210	0.2
179.03432	10.1
180.03772	0.7
181.06523	0.6
197.06163	0.2
225.05476	0.7
239.06979	0.4
265.56287	0.2
283.05951	0.3
371.07703	11.9
371.15128	0.5
371.24405	0.3
372.08078	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	371.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.01596	1.4
68.14952	0.4
69.96198	1.3
71.01270	1.1
72.99190	0.5
73.19973	0.3
78.81072	0.4
80.62556	0.4
85.02818	0.9
89.02350	0.6
91.79205	0.4
101.02339	0.6
137.02437	0.4
208.88257	0.4
227.49680	0.4
260.89490	0.4
276.47610	0.4
371.12930	1.0
384.00748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1346
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
55.01763	1.8
57.03313	1.3
58.06057	1.0
59.01249	17.3
64.87717	1.1
66.77570	1.3
70.19599	1.0
71.01257	15.8
71.54440	2.0
73.02831	7.0
75.00759	1.5
78.47137	1.1
83.01256	3.6
85.02831	9.8
89.02323	3.5
93.03335	23.9
95.01260	2.4
96.99238	1.2
99.00809	2.1
101.02328	13.1
108.02071	1.5
108.19794	1.1
113.02330	7.6
113.63749	1.1
121.02811	1.3
123.04404	3.8
133.08325	1.4
136.01590	3.2
137.02347	79.2
138.02739	1.8
151.03979	1.1
152.01015	1.4
153.05455	3.3
161.04489	1.6
178.99698	1.4
191.03441	1.1
221.04611	1.3
235.44844	1.3
281.06641	1.6
309.77927	1.1
371.13470	100.0
371.21207	3.4
372.13809	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1498
Annotation	Denudanolide C
Peak:m/z	Relative Intensity
59.00988	0.6
59.01273	2.3
71.01279	2.0
73.02832	1.2
84.49423	0.6
91.65359	0.7
98.20667	1.3
101.02338	1.7
113.02360	0.7
132.02083	5.3
151.00296	0.7
160.01581	13.7
166.06300	2.4
167.03423	0.8
170.07091	0.7
175.03853	0.9
181.08699	2.0
185.06126	0.8
193.79285	0.6
197.06076	3.8
206.99310	0.8
209.05984	1.0
211.03969	5.1
211.07405	1.4
212.08385	0.8
218.09517	1.4
222.06776	0.6
223.07681	0.8
225.05476	0.9
226.06316	2.3
226.09927	1.6
236.04674	0.7
237.05565	0.9
238.06258	1.2
239.03410	0.9
239.07167	0.7
240.07883	0.7
242.09454	21.6
243.09909	1.4
245.08234	4.1
246.08939	9.4
247.09569	0.9
251.07332	0.7
253.05040	1.5
253.08685	2.4
254.05852	1.5
254.09502	2.0
257.11807	12.6
258.09027	1.5
258.12042	1.1
264.07950	0.7
269.08160	1.9
269.11960	1.9
270.08963	20.5
271.09427	2.1
279.03513	0.7
279.06815	1.0
280.07422	1.1
281.04593	6.7
281.08136	2.2
282.05606	1.0
282.08975	9.0
283.09659	2.8
285.07956	1.2
285.11319	17.2
286.11740	1.2
295.09802	3.1
296.06937	0.9
296.10577	1.8
297.07681	2.9
297.10938	1.3
298.08453	19.4
299.08908	1.9
302.08087	1.3
308.06891	1.0
309.07748	2.5
310.08463	10.9
311.09177	8.6
312.09967	1.5
313.10831	10.1
314.11349	1.1
323.09161	3.9
324.09915	5.8
325.10751	14.0
326.07947	17.2
326.11591	7.9
327.08313	2.4
327.11868	0.9
339.12396	6.1
340.09485	1.1
340.13107	7.6
341.10297	96.3
341.13748	5.4
342.10672	11.3
352.35413	0.7
355.11850	2.3
356.09335	1.6
356.12637	76.9
357.13019	10.5
371.14990	100.0
372.15326	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	4.4
61.98707	1.5
70.77219	1.1
77.78574	1.0
78.61477	1.0
133.06509	6.4
137.02316	3.3
138.03081	1.7
147.04367	1.5
148.05074	1.1
153.05507	1.1
161.05992	68.4
162.06778	51.8
163.07115	2.6
164.04689	1.9
165.01845	7.3
165.03040	1.2
175.07549	1.2
176.04730	8.2
176.08324	6.4
177.05402	1.4
177.09096	5.0
179.03461	1.9
180.04179	3.5
189.05534	1.3
190.06297	21.7
194.05818	8.6
195.06511	4.7
200.16589	1.1
204.07884	4.9
205.08640	100.0
206.09021	7.5
208.07364	16.1
217.08701	1.8
239.95129	1.0
251.06995	1.9
280.07529	1.2
295.09543	1.3
296.06842	1.4
297.07733	3.0
312.10049	1.2
323.09293	2.5
327.12366	3.0
338.11581	2.5
343.15475	3.4
371.15097	12.9
371.24265	1.7
379.74649	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.15
Annotation	Tetrahydrocurcumin
Peak:m/z	Relative Intensity
59.01252	5.2
61.15032	0.9
61.98702	0.9
69.82249	3.7
71.01247	1.2
72.18977	1.0
75.58553	1.1
85.02821	2.1
89.03839	2.1
95.04885	0.9
109.02860	7.2
117.03352	5.4
121.02845	2.6
123.04391	1.6
125.10806	0.9
134.03636	58.8
135.04007	3.0
138.03127	2.1
146.03491	1.0
147.04384	1.1
149.06000	5.6
150.03137	1.1
160.05168	1.7
161.05997	6.8
164.04561	1.0
173.06020	1.3
175.07527	1.0
193.04990	19.3
194.05354	1.7
209.02931	1.4
223.07639	1.3
227.06851	0.9
239.07086	2.0
246.00224	0.9
255.06601	1.4
265.08698	2.3
266.05621	0.9
266.09512	2.2
267.06628	18.8
268.07114	1.1
270.09055	1.7
281.08051	2.3
282.08969	21.6
283.09406	2.6
297.11301	31.7
297.68256	1.0
298.11749	4.3
311.12939	5.4
312.13486	1.4
350.46698	0.9
371.14984	100.0
371.24344	3.3
372.15430	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	371.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52233	1.6
59.01253	100.0
60.01636	1.7
69.53625	10.9
71.02444	2.2
71.20618	1.9
76.43719	2.0
80.68389	2.2
84.99979	2.1
98.20523	3.8
106.12374	2.0
116.03285	2.1
207.99916	2.0
223.02913	3.9
356.12820	2.5
371.15192	2.5
371.23663	2.6
371.27881	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	373.1139
Annotation	Citrifoside
Peak:m/z	Relative Intensity
52.80781	1.6
59.01250	22.0
61.98691	1.4
68.81458	1.2
69.82660	5.1
70.43185	1.4
71.01254	15.9
85.02826	4.4
89.02314	15.0
95.01273	2.3
101.02342	10.7
108.02062	8.3
111.00752	2.1
113.02312	5.3
119.03417	5.8
123.00785	4.7
123.04388	2.9
124.01534	2.3
124.38168	1.4
136.81181	1.5
149.02322	2.4
150.03156	8.9
157.20593	1.5
165.05533	1.6
177.01842	2.4
178.02646	38.2
179.02966	2.6
193.05002	100.0
194.05368	5.0
211.06070	2.5
310.86444	1.6
373.07480	2.4
373.11465	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	373.1503
Annotation	Deoxyloganin
Peak:m/z	Relative Intensity
55.01557	0.7
55.01763	8.7
55.13752	0.8
57.03329	6.5
58.00460	3.9
59.01254	62.0
60.01585	1.2
69.03310	1.0
71.01257	100.0
71.33723	1.8
72.01617	2.0
72.99184	6.5
73.02824	29.2
75.00726	2.0
81.03329	0.9
83.01254	17.2
85.02825	48.0
85.57527	0.8
85.99974	2.3
86.03149	1.9
87.00761	6.5
89.02317	23.7
93.03384	1.1
95.01261	7.7
97.02817	1.7
99.00759	11.5
101.02328	65.8
102.02633	1.5
109.02837	1.5
111.00774	2.5
113.02338	35.3
114.02710	1.1
119.03415	5.8
120.99540	1.2
121.02832	1.1
123.04444	0.9
125.02335	3.9
125.86365	0.9
134.03662	0.9
135.04413	1.3
137.02345	7.5
139.00294	1.1
143.03412	2.3
149.02362	1.0
150.03120	1.8
151.03944	5.2
152.04688	0.8
153.01851	1.1
159.02902	4.5
161.04475	19.5
163.03970	4.7
164.04698	1.9
165.01804	1.4
165.04169	1.1
165.05455	2.1
178.06349	1.3
179.05544	1.3
181.05003	14.5
182.05612	1.6
193.05034	1.9
193.08748	1.2
196.07370	17.2
197.07942	2.7
204.06602	1.0
205.03490	0.9
210.05348	1.1
211.09703	28.3
212.10010	1.4
285.11465	1.0
302.01633	1.0
329.15219	1.8
358.12677	3.5
373.14999	55.8
374.15411	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	373.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.5
55.10612	1.3
57.38974	1.4
59.01248	7.5
83.42820	1.5
89.02341	1.9
91.26505	1.5
93.03333	2.0
98.19712	3.3
100.05228	1.5
121.02847	4.9
134.81377	1.7
135.04431	7.1
137.02400	1.7
144.35266	1.6
148.01578	2.2
163.03920	77.2
164.04410	5.2
169.52965	1.5
178.06276	67.0
179.03468	4.5
179.06741	3.6
183.04482	4.5
184.05263	4.1
187.03967	6.1
193.08702	4.4
194.05800	2.1
195.04472	5.5
199.04178	2.0
209.08076	1.9
211.03986	4.3
212.04727	8.5
213.43178	1.5
222.06508	1.6
227.07053	2.9
240.04243	39.6
241.04601	4.2
255.06599	100.0
255.51523	1.5
256.06961	10.6
270.08975	74.3
271.09308	5.7
285.11301	42.3
286.11673	3.8
292.09982	1.6
373.16660	7.3
374.24408	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68895	0.4
54.38510	0.4
54.80516	0.4
59.01237	0.4
71.91808	0.4
73.89047	0.4
74.00205	0.5
93.03299	0.5
93.46787	0.4
98.19654	0.8
163.03920	7.7
171.04372	0.6
178.06262	4.3
183.04436	1.8
184.05235	3.1
187.03935	4.0
189.05461	0.6
195.04398	3.1
196.05051	0.5
199.03900	0.5
207.31898	0.5
211.03957	2.5
212.04720	7.6
213.05078	0.7
223.03949	1.3
227.07115	5.5
239.03310	0.5
240.04257	35.3
241.04620	3.7
255.06606	100.0
256.06921	8.9
270.08975	66.0
271.09302	5.5
279.20859	0.5
285.11325	40.0
286.11597	4.8
324.87006	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
53.65049	0.3
54.27232	0.3
55.01768	0.8
55.76636	0.3
57.03325	1.0
58.00472	0.4
59.01251	100.0
60.01585	1.1
62.71597	0.3
69.31380	0.7
69.31790	1.5
70.01269	0.2
71.01255	16.5
72.99184	0.4
73.02819	5.7
75.00773	0.4
83.01260	2.2
84.06853	0.2
85.02824	6.3
85.99973	0.6
87.00749	2.7
88.64581	0.3
89.02319	5.4
93.03411	0.3
95.01252	1.4
97.02861	0.7
99.00756	1.5
101.02325	10.4
113.02331	5.9
119.03395	1.8
121.59857	0.3
125.02335	0.4
131.03391	3.1
134.03629	0.3
143.03409	0.9
149.02315	0.4
151.11235	0.9
159.02922	1.0
161.04459	8.1
163.03874	1.8
164.04720	1.2
178.06306	1.2
179.05632	0.6
179.07057	0.9
193.05054	1.0
203.05615	1.1
221.06631	6.7
221.17868	0.3
222.06964	0.3
302.47812	0.3
313.16638	0.5
331.17612	3.5
331.20816	0.3
332.18057	0.5
373.25934	4.5
374.26459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.223
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
55.01761	8.0
57.03325	6.8
58.00471	2.2
59.01253	51.8
68.99668	0.6
69.03329	1.6
71.01256	100.0
71.53992	0.5
71.54375	0.8
72.01595	1.4
72.99186	4.6
73.02821	33.6
74.03143	0.7
74.13221	0.4
75.00739	1.6
80.38775	0.5
81.03364	0.4
83.01259	15.4
84.02036	0.8
85.02825	47.8
85.99982	2.2
86.03136	0.9
87.00742	4.2
87.46931	0.5
89.02317	12.5
95.01260	7.6
97.02838	2.5
99.00764	15.4
100.01094	0.6
101.02325	76.6
102.02640	2.3
111.00755	1.4
113.02336	38.6
114.02680	1.2
115.03841	0.8
119.03365	2.9
124.03870	0.4
125.02325	2.3
129.01822	2.0
131.03366	0.8
139.00275	0.5
143.03426	3.7
145.28818	0.5
159.02908	10.7
159.04208	0.7
161.04465	36.4
162.04782	1.1
205.03432	2.2
211.13380	0.7
211.16974	1.7
263.82016	0.5
373.12659	0.7
373.18430	0.8
373.22327	18.2
374.22714	2.5
378.40231	0.5
381.62448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34531	0.4
55.01758	6.8
57.03327	8.2
58.00461	2.9
59.01254	59.0
60.01589	0.5
60.99199	0.4
64.93868	0.4
69.03336	0.9
69.27238	2.5
71.01257	100.0
71.09953	0.4
72.01598	1.6
72.99185	6.1
73.02821	32.7
74.03165	0.6
75.00742	1.8
83.01260	15.6
84.01604	0.5
84.02052	0.8
85.02826	44.7
85.06460	0.6
85.99967	1.8
86.03155	1.1
87.00766	4.1
89.02320	22.2
90.45297	0.4
95.01274	8.3
97.02854	2.0
97.06451	0.5
98.19733	0.7
99.00762	14.0
101.02327	90.9
102.02671	2.4
111.00742	1.4
113.02336	47.0
114.02664	1.5
115.03904	0.4
118.74262	0.4
119.03391	7.9
123.67009	0.5
125.02357	2.4
129.01842	2.6
131.03392	0.8
135.98273	0.5
139.00244	0.6
141.01796	0.5
143.03407	5.3
143.10628	0.6
145.76947	0.4
155.10616	0.4
155.32008	0.4
159.02905	11.3
161.04468	45.4
162.04793	1.3
179.05453	0.8
205.03468	2.2
211.13245	0.9
211.16722	0.8
230.65395	0.4
315.40994	0.4
373.18860	1.2
373.22076	17.3
373.26022	5.3
374.22440	2.6
374.26529	0.8
374.30231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2597
Annotation	oscr#24
Peak:m/z	Relative Intensity
53.62669	0.3
57.03314	1.3
58.00463	0.5
59.01262	1.7
61.98698	0.4
65.43186	0.3
65.43562	0.3
69.03349	0.4
71.01256	1.3
71.04881	0.5
71.54655	0.3
73.02818	1.3
81.41123	0.2
83.01295	0.3
83.04902	0.3
85.02831	1.6
87.04379	0.7
89.02313	0.3
93.03351	0.3
97.06458	1.1
101.02336	0.7
108.01960	0.3
111.00739	0.4
111.08057	0.4
111.97843	0.3
121.02840	1.5
121.10095	0.6
122.03651	0.4
123.00769	0.7
123.08043	1.1
125.09615	2.2
127.11167	1.5
129.01848	0.4
134.03624	1.3
137.02306	0.4
137.09618	0.8
139.11200	0.6
141.09175	0.5
141.12682	0.5
143.10690	0.8
146.03644	0.7
147.04385	0.4
149.06073	0.4
150.93976	0.3
151.03954	0.3
153.01878	0.3
153.09039	0.3
153.12775	0.3
155.10706	1.7
157.12250	0.5
159.10152	0.3
161.02342	0.4
161.05992	0.4
163.03955	0.6
169.12265	3.6
171.10182	6.6
174.06747	1.2
177.05452	0.5
178.06360	0.3
185.11754	1.5
188.04668	0.4
189.09171	0.8
191.07086	0.4
193.08572	0.9
197.11804	1.1
201.11269	2.4
212.08575	0.3
215.12875	1.2
223.04373	0.3
229.14485	0.3
238.22607	0.3
285.20844	0.4
307.22556	0.4
313.23770	1.3
313.26862	0.3
323.22266	0.5
325.23779	1.7
327.25494	0.3
328.12695	0.3
337.23877	0.3
340.13159	0.5
341.23349	0.5
343.15463	0.7
343.24872	9.3
344.25290	0.8
353.23438	0.8
355.15472	2.3
355.24902	3.3
356.16092	0.3
356.25116	0.6
358.14154	0.6
371.24408	1.2
373.25934	100.0
374.21475	0.6
374.26294	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	374.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	9.6
58.00461	4.3
59.01251	97.9
59.81302	4.7
60.01598	4.6
61.98693	18.1
62.44430	3.7
69.21790	33.2
71.01255	44.1
72.99188	4.2
73.02816	15.7
77.98785	3.2
80.15995	3.9
81.43207	3.6
83.01286	6.0
85.02820	14.9
86.03160	4.3
87.00735	9.5
89.02307	27.8
95.01276	7.0
99.00802	5.0
99.65313	4.0
101.02335	31.2
102.01862	8.1
113.02320	15.9
119.03394	8.7
121.61732	4.5
161.04494	9.2
194.11720	4.6
221.06567	7.6
341.03760	4.1
357.26324	6.1
373.26041	37.0
374.18454	7.1
374.26270	97.9
375.20419	8.8
375.27466	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	374.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09543	0.1
50.69154	0.1
59.01255	3.0
61.37227	0.1
66.66506	0.1
70.39915	0.2
70.40277	0.3
77.58924	0.1
85.39190	0.1
90.40369	0.1
98.08570	0.1
101.05974	1.1
102.05028	0.1
124.07571	0.5
138.03099	0.1
139.55975	0.1
149.07039	0.2
163.03920	0.6
164.04283	0.4
165.10236	0.2
174.02997	0.1
178.06255	0.5
179.06612	0.4
189.10306	0.5
205.12114	0.2
216.11328	0.2
232.10881	9.8
233.11223	0.8
240.04031	0.1
241.04596	0.3
255.06622	0.3
256.07031	0.6
260.10385	0.2
270.08990	0.2
271.09323	0.5
272.17651	0.4
273.16104	0.2
274.15762	0.1
276.09717	0.1
286.11774	0.2
289.17935	1.6
290.18762	2.7
291.19250	0.1
315.20813	0.1
316.16687	1.5
317.16891	0.2
318.18228	0.4
327.01089	0.1
357.06293	0.2
358.21420	0.9
374.24472	100.0
375.24786	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	375.1299
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
55.01749	1.0
56.64917	0.8
57.03328	11.9
57.18905	0.9
59.01258	9.2
64.85566	0.8
68.99685	0.8
69.60384	0.9
69.84148	0.7
71.01253	5.9
71.53973	0.8
72.99178	2.7
73.02833	1.8
74.98985	2.1
75.00761	2.3
79.95628	0.9
80.03576	0.8
83.01261	2.3
84.02055	2.3
85.02824	100.0
86.03169	2.7
87.00761	3.4
89.02324	2.9
98.47476	0.9
99.00761	1.0
100.18917	0.9
101.02334	2.0
103.00274	1.9
111.00773	2.4
113.02314	1.6
115.00259	1.1
123.39679	0.8
125.02344	2.1
127.00254	0.9
127.80326	0.9
129.01837	10.7
136.99098	0.9
137.02338	2.2
137.06013	1.0
139.00261	1.7
147.02884	11.3
149.02304	1.0
151.00284	1.3
151.03925	1.2
153.01811	2.0
154.99756	1.1
173.00839	2.5
176.03395	0.9
183.10176	1.0
191.01915	27.6
191.03622	1.6
196.95772	1.2
294.68259	1.0
361.81653	0.9
375.12338	5.2
376.06686	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	375.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10707	13.2
59.01248	100.0
60.96012	13.1
70.68294	35.4
71.01256	74.9
78.40965	11.1
85.02803	13.4
87.00728	13.5
89.02320	98.2
101.02338	27.1
113.02317	14.1
117.03353	13.6
119.03404	27.9
145.02861	26.7
146.03627	13.4
147.04436	15.6
149.02374	20.3
150.03148	30.4
153.01831	57.9
161.02336	44.0
161.04417	15.4
162.03101	46.5
165.05475	28.5
177.05467	31.7
179.05592	15.0
195.06569	38.7
298.57486	12.0
375.18396	12.3
397.23315	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	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.2
57.03312	3.0
58.00444	1.4
58.80576	0.8
59.01252	35.5
60.58307	1.0
69.03316	1.3
69.37215	8.1
71.01254	32.0
72.01643	0.9
72.99175	1.6
73.02805	3.9
83.01248	3.0
85.02824	8.7
87.00743	2.4
89.02326	19.9
92.91087	0.9
95.01290	1.8
95.04894	5.6
97.06463	2.9
98.03600	7.3
101.02328	16.2
107.04922	8.4
108.02055	2.3
113.02345	8.9
119.03377	6.1
133.10129	1.1
141.12749	1.4
143.03409	1.3
149.09634	3.2
151.11192	76.5
152.11560	5.3
160.31682	0.9
161.04454	2.9
169.12280	13.0
172.73933	0.9
179.05453	1.1
195.10202	100.0
196.10606	7.1
212.04843	1.6
314.18945	1.1
344.19897	1.1
346.56140	0.9
375.23453	1.3
375.27536	16.7
376.27945	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.8
57.03325	4.6
58.00469	4.9
59.01252	100.0
60.01582	1.1
68.99664	1.5
69.44444	4.1
69.44850	2.4
71.01255	69.0
72.99171	6.9
73.02815	6.7
74.98964	1.6
75.00734	1.5
83.01260	5.9
85.02823	37.1
87.00749	4.2
89.02319	67.4
93.03374	1.3
95.01282	5.1
97.02902	1.2
99.00748	2.8
101.02324	54.1
102.02668	1.1
111.00779	3.4
113.02328	24.0
113.03063	1.7
119.03393	34.9
123.04391	1.7
125.02373	2.3
129.01848	3.5
131.03426	2.6
136.99083	1.9
143.03401	4.2
147.02887	1.8
149.04366	1.4
151.03941	2.2
153.01830	3.3
161.04501	7.2
173.04462	1.4
177.09094	1.9
179.05563	5.3
191.01881	4.5
191.05562	3.1
195.02878	1.2
213.05551	3.1
227.05455	1.1
227.99919	1.0
243.16068	1.3
245.92482	1.0
331.17514	1.4
357.11600	1.6
357.15518	9.1
375.16583	70.0
376.16840	5.7
389.00317	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91874	2.0
55.01759	6.9
57.03325	6.3
59.01254	55.9
64.88223	1.9
69.48293	10.6
71.01255	50.2
72.99170	5.5
73.02830	9.3
74.99018	3.9
83.01257	10.1
85.02835	34.1
86.16992	2.0
87.00748	7.1
89.02319	30.7
95.01289	6.0
95.66798	2.1
95.92900	2.0
98.19803	4.5
99.00754	3.8
101.02332	41.4
103.64236	1.8
111.00726	5.5
113.02355	13.4
119.03396	19.3
125.02374	2.1
127.77045	2.3
129.01860	3.2
131.03407	3.0
143.03407	4.2
161.04536	7.8
177.09175	8.3
179.05608	7.0
191.01880	5.5
219.04848	2.1
222.60211	2.0
231.30869	2.1
255.08916	6.8
357.15594	26.8
358.16318	3.0
375.16653	100.0
376.16992	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	375.1814
Annotation	Glaucogenin A
Peak:m/z	Relative Intensity
50.91222	0.5
59.01248	3.1
65.72807	0.5
69.03339	0.5
71.01247	0.8
93.03336	4.0
101.02309	0.7
105.03347	0.9
105.06993	0.6
107.04898	2.3
108.02076	1.5
109.02839	8.1
117.07007	0.8
119.04946	1.2
121.02847	39.8
121.06486	0.5
122.03648	16.5
123.00775	0.7
123.04491	2.7
124.01572	2.2
132.14070	0.5
133.06514	1.1
135.04405	4.7
136.01561	5.9
136.05217	3.2
137.02348	6.5
137.05974	0.9
146.03607	1.2
148.05208	1.0
149.02335	2.1
149.05992	98.5
150.06305	5.2
151.03912	8.5
153.01817	0.8
154.02618	4.0
160.05133	0.6
161.05989	31.5
162.06389	1.8
163.03896	0.9
163.07556	0.7
164.04745	1.9
165.05461	0.6
168.04213	1.5
175.07495	1.1
176.08356	16.1
177.05423	0.8
177.08673	1.0
180.70393	0.5
191.10725	14.6
192.07846	8.6
192.11079	1.8
193.08583	1.9
198.44328	0.6
201.11357	0.6
201.67566	0.6
207.10208	16.0
208.10579	1.5
297.11438	0.9
312.13681	11.8
313.14285	1.8
315.12387	4.0
327.16034	20.9
328.16550	2.6
345.13480	1.2
360.15826	7.6
361.16278	1.2
375.18127	100.0
375.27490	8.5
376.18494	14.1
376.28217	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90042	1.4
63.24262	1.1
71.24510	1.2
71.24845	1.4
73.94121	1.1
74.98968	2.6
93.00030	2.0
94.39954	1.1
106.13800	1.1
137.94910	1.1
159.08406	10.8
161.06334	3.2
178.34703	1.1
184.23799	1.3
209.01286	2.6
216.68930	1.5
275.06161	1.4
277.07532	2.2
289.07703	1.9
291.09113	97.0
292.09207	14.5
357.13959	3.1
359.15369	100.0
360.15506	19.3
375.18597	6.3
376.18631	2.0
377.16428	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83511	0.4
57.11410	0.4
59.01276	0.5
60.67234	0.5
70.10512	1.6
74.98941	2.1
93.00012	1.8
149.00911	0.7
159.08371	11.7
160.08623	0.5
161.06291	3.5
188.55731	0.4
192.98111	1.0
209.01181	2.6
217.07176	1.5
275.05957	1.1
277.07553	2.0
289.07526	1.9
291.09097	98.9
292.05969	0.8
292.09250	14.1
309.10123	1.9
343.12357	0.5
357.13797	2.0
358.14200	0.6
359.15335	100.0
360.15515	19.6
375.18427	6.4
376.18527	1.1
377.16257	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	31.0
61.98700	4.4
69.86477	3.1
70.17749	12.3
75.00664	3.3
89.18764	4.1
95.04916	32.4
98.19852	3.9
101.64920	3.0
164.04713	3.7
195.13846	7.8
209.48277	3.5
223.13249	7.7
246.12425	9.5
275.20206	5.7
278.11349	79.2
279.11633	6.2
288.95050	3.1
293.21231	100.0
294.21567	8.8
315.19366	16.8
336.71240	3.3
338.12213	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80745	0.3
52.88404	0.3
57.03323	1.5
58.00461	0.4
59.01254	3.2
69.40269	2.2
71.01247	1.2
73.02811	0.9
85.02815	0.5
87.04391	1.0
87.12169	0.3
89.02317	0.6
95.01270	0.4
97.02844	0.3
97.06472	0.5
98.20509	0.5
101.02331	0.7
103.22104	0.3
109.06462	0.5
111.04436	0.3
111.08000	0.4
113.02299	0.4
123.08037	1.0
125.09615	0.3
135.08060	0.4
139.11070	0.6
140.57198	0.3
141.09149	0.5
141.12764	0.6
143.10703	0.3
151.11185	0.4
153.09111	1.2
155.10733	0.3
157.12244	1.9
169.12259	0.9
171.10143	0.5
185.11795	1.9
215.12863	1.5
219.41795	0.3
251.20088	0.3
262.31772	0.3
272.10550	0.5
311.22122	0.7
327.21985	0.4
327.25507	0.5
329.23331	3.0
339.25323	0.6
355.25177	0.3
357.26538	3.2
358.26923	0.3
373.25983	2.7
374.26434	0.4
375.27499	100.0
376.27832	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	377.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56426	1.4
59.01252	26.7
70.70737	1.2
71.01219	1.6
71.54289	1.5
89.02337	1.9
96.95921	3.0
155.42188	1.6
171.10199	33.9
172.10507	3.2
277.21725	43.1
278.22070	4.2
288.54861	1.6
291.95413	1.4
295.22781	100.0
296.23053	12.3
317.20981	33.5
317.24347	1.4
318.21130	3.5
341.10791	2.7
361.19955	4.2
362.20380	1.6
377.23090	22.6
378.23138	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	378.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.0
60.02799	2.5
61.98705	100.0
69.67294	2.3
69.80190	10.9
79.45207	2.5
81.53334	2.6
82.09616	3.1
84.29932	2.4
96.05257	2.5
98.19917	2.5
110.32700	2.2
129.58061	3.0
307.55457	2.8
346.24796	3.0
378.54272	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	379.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88113	0.6
52.53538	0.5
57.03315	2.0
59.01253	12.2
60.25643	0.5
60.97396	0.7
63.96104	3.7
65.43784	0.5
65.76579	0.6
68.77383	0.5
69.03335	1.1
71.01254	3.3
71.04892	1.1
72.97393	1.9
72.99181	4.7
73.02809	1.2
74.98975	6.4
75.39075	0.5
76.96892	3.1
79.95615	3.2
81.03319	0.6
85.02827	7.2
87.00755	22.7
87.04389	1.3
89.00548	0.9
89.02319	2.4
90.98503	0.6
97.02837	1.9
97.06461	0.7
98.03609	4.9
101.02334	1.9
101.05942	4.4
113.02316	0.9
113.05989	3.2
115.07542	0.9
119.03358	1.0
120.99523	3.6
123.08044	5.2
125.09645	0.5
127.07567	5.8
131.01636	2.2
132.98621	1.0
132.99559	11.0
135.98282	1.1
136.99063	0.8
139.00166	0.6
139.07561	1.8
141.09111	18.5
143.10695	0.9
151.00616	36.9
151.07573	2.3
152.00931	0.8
153.01572	0.6
153.05518	0.7
153.09132	13.1
157.78157	0.5
161.04457	1.3
163.07584	1.7
165.09108	2.9
171.10202	4.5
172.10614	0.6
174.03470	0.8
176.26913	0.5
177.09161	0.8
179.10719	1.9
191.10739	1.9
195.10323	0.6
197.06401	0.7
203.10724	1.4
209.11800	4.5
210.12067	0.6
211.07957	1.1
211.79980	0.6
221.11804	3.1
227.12869	5.7
237.09555	0.7
255.10484	3.1
273.11703	1.8
281.77344	0.6
291.12796	1.6
319.17651	5.2
325.61093	0.5
357.50146	0.6
361.13217	2.0
362.17783	0.6
379.14328	100.0
380.14673	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	379.1612
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03330	1.4
58.00473	1.5
59.01257	48.0
60.01597	1.1
69.84492	3.2
69.84886	2.1
71.00891	1.9
71.01262	25.1
72.99180	1.9
82.14687	1.0
83.01278	1.7
83.04892	3.0
84.17480	1.1
85.02828	5.2
89.02324	25.8
98.20609	1.8
101.02328	19.9
113.02336	9.3
119.03394	11.9
131.03452	2.4
137.09563	5.8
137.54440	1.1
143.03423	1.2
149.04533	1.3
155.10698	27.6
161.04504	2.2
181.08658	3.7
196.59387	1.2
199.09706	53.4
200.09966	3.1
212.90010	1.1
217.10774	5.1
229.12466	1.5
361.15002	1.5
379.16104	100.0
379.78888	1.3
380.16470	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.8
57.03324	1.3
58.00464	4.4
59.01254	100.0
69.03316	1.4
71.01259	68.8
71.33897	2.0
72.99184	5.4
73.02821	9.8
81.15995	1.5
83.01253	3.1
83.04900	3.6
85.02828	12.8
87.00742	3.6
89.02323	81.3
90.02650	1.8
92.23860	1.1
95.01267	2.9
97.02827	2.3
99.00754	13.5
101.02323	45.4
113.02336	19.8
114.02653	1.3
114.98652	1.2
119.03405	22.2
125.02374	2.8
131.03407	9.7
137.09650	9.7
143.03395	3.5
149.04477	27.3
151.00444	1.2
155.10696	29.4
155.11983	1.5
159.15916	1.2
161.04457	3.4
168.13838	1.2
179.05557	7.1
181.08626	3.9
185.24701	1.1
191.05565	11.3
199.09694	41.6
200.10002	2.7
200.60576	1.2
217.10742	6.1
243.02762	1.5
247.11787	4.3
301.07120	7.2
301.10098	1.2
316.09567	2.1
331.11816	6.1
379.16107	98.8
380.16550	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	379.1975
Annotation	JBIR-57
Peak:m/z	Relative Intensity
54.80509	0.9
57.03329	0.9
58.01688	0.9
59.01253	100.0
60.01579	1.1
69.03332	1.1
69.23293	7.2
71.01257	9.9
72.99180	2.0
73.02819	5.2
83.01261	2.5
83.45493	0.9
85.02825	8.0
87.00739	2.6
87.04416	1.1
89.02305	5.1
97.02848	1.1
98.20578	1.7
99.00764	2.7
101.02318	11.4
101.05969	2.8
111.08014	2.6
113.02325	6.4
119.03366	2.1
132.99573	1.7
141.09128	1.6
151.00639	2.6
153.36815	1.2
161.04485	3.4
168.00899	1.0
179.05510	1.3
249.04764	1.0
319.17557	4.7
379.15240	6.2
379.19769	54.1
380.20166	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	379.2852
Annotation	Persin
Peak:m/z	Relative Intensity
51.19771	0.6
53.20741	0.6
59.01254	1.2
70.82299	1.4
90.63832	0.6
96.95901	0.7
98.19917	0.7
113.65211	0.5
116.51062	0.8
164.76512	0.6
216.10858	0.6
317.28525	5.6
318.28815	0.9
335.29556	71.4
336.29855	9.8
361.27441	2.7
379.28540	100.0
380.28909	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	380.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	62.2
61.98708	100.0
69.61900	43.2
69.62308	61.6
96.95912	22.8
98.20525	40.4
102.78727	16.3
109.78634	19.0
116.13130	18.5
151.69223	19.1
157.48048	23.8
160.99893	17.9
168.34268	17.5
176.49437	20.2
186.21030	21.7
197.72206	20.3
227.77443	18.4
246.21022	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	6.2
57.03318	4.3
58.00472	2.4
59.01254	46.2
59.05525	1.4
69.03326	2.4
71.01254	63.9
72.99191	3.0
73.02821	35.1
75.00750	3.3
81.03364	1.6
83.01270	15.4
85.02381	1.2
85.02821	34.0
85.99979	1.6
87.00759	4.2
89.02310	15.8
95.01273	4.4
97.02831	2.8
98.19752	3.1
99.00764	8.2
99.04396	2.3
101.02325	75.5
101.05962	97.4
102.06287	2.6
111.00753	3.2
113.02337	30.3
115.03878	2.5
115.07535	41.4
119.03396	5.5
125.02301	4.3
125.06075	1.5
131.03415	3.2
135.06506	8.6
141.34790	1.4
143.03401	3.1
143.07018	4.5
145.02844	2.0
149.04521	2.1
159.02859	3.6
159.06577	1.8
161.04468	19.2
170.61061	1.6
191.05505	1.5
201.07500	1.6
203.09224	1.8
214.90575	1.8
215.72942	1.2
233.06665	2.4
249.13409	100.0
250.13728	7.3
255.08633	1.5
258.02338	1.6
269.19897	1.5
279.10855	10.0
297.11948	3.4
381.12634	2.9
381.17661	56.7
382.17978	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	381.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	9.1
57.03333	6.9
58.00451	3.6
59.01255	84.8
69.03306	3.1
69.26960	8.2
70.42848	0.8
71.01258	90.9
72.01571	1.3
72.99189	7.1
73.02827	29.6
75.00743	1.3
81.03328	1.7
83.01259	18.9
85.02829	39.2
85.99953	2.5
86.03156	1.3
87.00750	4.2
87.08006	1.3
89.02321	39.1
95.01241	4.0
97.02847	4.8
99.00758	12.3
101.02326	84.9
101.05961	2.8
102.02573	2.2
111.00778	9.8
113.02338	27.5
115.03890	2.8
115.07545	1.5
119.03382	1.4
125.02363	5.1
129.01825	2.3
131.03406	26.6
133.89520	1.0
143.03412	3.6
149.04468	8.8
155.10564	1.0
159.02898	4.2
161.04486	19.1
205.03484	1.6
229.21584	1.1
231.12274	1.8
233.06589	5.9
249.13425	100.0
250.13867	5.9
250.15910	0.9
277.07019	0.9
291.11172	1.0
293.08789	1.3
302.09204	1.0
316.02841	1.2
337.20187	3.4
381.17703	71.3
382.18103	8.7
396.64740	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.8
57.03324	4.2
58.00472	1.8
59.01251	32.9
69.03336	0.8
71.01254	52.7
72.01604	0.9
72.99190	2.5
73.02818	29.7
74.03183	0.8
75.00752	2.0
81.03371	0.5
83.01258	12.2
85.02825	28.6
85.06441	0.7
85.99969	1.1
86.03173	0.7
87.00748	3.8
87.08032	1.3
89.02320	11.6
90.48060	0.4
93.03339	0.5
95.01265	3.7
97.02838	2.8
98.20551	0.8
99.00758	12.4
100.01105	0.4
101.02324	62.6
101.05965	3.5
102.02682	1.3
103.03978	0.4
111.00779	1.9
113.02330	21.1
114.02687	0.6
115.03895	1.5
115.07555	0.7
115.98217	0.3
119.03371	1.0
125.02345	3.4
127.00202	0.4
129.01823	1.5
131.03406	3.5
135.06477	0.4
143.03412	2.7
145.02846	1.0
149.04468	1.5
157.08617	1.1
159.02887	4.2
161.04471	20.7
162.04826	0.7
182.04440	0.4
191.05589	0.7
205.03406	0.8
233.06705	2.7
249.13412	100.0
250.13780	5.9
282.94434	0.5
293.08804	0.9
293.12292	0.7
381.17667	76.6
382.18045	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	381.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01592	1.1
71.01256	4.2
71.54266	0.6
73.02815	1.4
83.75366	0.5
85.02847	1.7
88.00501	0.5
101.02305	3.4
111.00756	0.8
113.02367	2.2
117.38612	0.6
124.00600	0.6
159.02908	0.6
161.04449	3.9
176.08401	2.1
243.46117	0.6
321.19186	12.1
322.19702	1.0
381.07251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86383	6.1
57.16855	6.7
59.01254	100.0
70.59763	13.2
74.79014	6.4
78.95776	24.1
96.95848	6.8
105.74953	5.8
157.53754	6.2
195.65541	6.2
217.00121	8.0
220.31407	6.6
351.25925	5.9
381.26721	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	381.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24093	0.9
59.01246	4.6
63.48956	1.0
67.47977	1.0
71.01267	1.7
78.95767	2.6
96.95925	1.4
116.66267	1.1
141.66135	1.2
152.99463	2.7
170.05760	3.7
192.11520	1.8
199.13373	2.5
225.76199	1.5
233.18993	1.5
235.20561	1.8
251.20189	1.9
277.18097	84.9
278.18381	6.3
279.19635	25.4
280.20020	1.8
295.19156	100.0
296.19519	10.6
363.25400	17.3
363.29504	1.6
381.26440	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	381.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57137	0.7
59.01245	3.0
62.38906	0.9
69.85808	0.8
78.95783	1.2
96.95903	1.1
119.45043	0.8
128.14767	0.9
137.59474	0.8
140.75961	0.9
153.12766	2.1
163.11211	1.6
165.12743	4.4
170.05760	2.8
179.10712	10.3
181.12274	35.6
182.12587	1.7
185.64214	0.8
195.10165	2.2
197.11803	1.7
199.13339	100.0
200.13667	3.6
214.21989	0.8
215.12758	2.5
333.32068	0.9
363.25510	5.2
367.59283	1.0
381.26511	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	382.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71808	1.6
52.40141	1.6
59.01252	100.0
68.51120	1.6
71.01258	4.2
72.89252	1.5
73.02777	1.6
89.02311	2.1
92.26855	1.9
98.06464	1.7
113.02335	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0771
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
59.01253	6.7
61.20269	0.6
61.98686	0.8
68.33054	0.6
68.99698	1.3
70.02431	0.6
71.01263	3.1
73.02843	1.5
85.02828	1.1
87.00758	1.0
89.02316	1.9
95.01256	0.7
99.00793	0.6
101.02337	1.6
113.02339	1.5
119.03417	0.7
121.02849	100.0
122.03185	4.5
125.22513	0.6
145.02879	1.8
147.04436	2.7
149.02376	2.3
153.71207	0.5
153.88553	0.6
161.04477	1.6
163.04045	0.7
179.05484	0.8
181.06525	4.3
183.18277	0.6
191.03442	9.4
192.03825	1.1
225.05531	7.7
226.05775	0.8
241.26297	0.6
251.07143	3.3
278.47397	0.7
295.06100	12.0
296.06531	1.4
311.09256	12.6
312.09659	1.2
313.07175	18.8
314.07669	2.4
323.09915	2.0
339.08737	15.1
339.12668	1.1
340.09018	2.6
341.10889	1.8
383.07721	22.4
383.15265	1.2
384.08176	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07478	0.3
55.01749	0.5
59.01261	4.1
71.01253	3.8
72.99173	0.4
73.01841	0.4
73.02826	1.5
75.00759	0.6
75.24494	0.3
80.31863	0.3
83.01272	0.9
84.02040	0.3
85.02818	1.8
87.00753	0.5
89.02309	0.6
93.03275	0.4
95.01267	0.4
96.95897	0.5
99.00751	0.7
101.02326	3.4
113.02332	1.1
116.30602	0.3
117.03355	29.3
118.03696	1.4
119.04917	5.9
127.00342	0.5
145.02858	100.0
146.03198	6.2
146.32487	0.3
147.03435	0.4
161.02383	0.3
161.04524	0.3
163.03931	7.3
164.04303	0.6
196.83693	0.3
204.02884	0.4
383.13461	34.8
384.13828	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	383.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30264	0.4
58.00462	0.4
59.01255	11.4
63.38371	0.4
68.99691	31.4
70.00033	0.5
71.01257	9.4
71.55148	0.4
73.02827	6.0
80.35400	0.4
82.49550	0.4
85.02806	2.3
87.00756	1.2
89.02325	12.1
93.03345	0.9
95.01259	0.7
99.00762	100.0
100.01104	1.8
101.02331	4.0
113.02350	4.1
117.01796	0.9
119.03407	4.3
121.76908	0.5
125.02312	0.5
131.03456	0.6
137.02335	2.6
141.01849	0.4
143.03403	1.0
149.04356	0.5
161.04488	1.2
164.91623	0.4
179.05562	2.2
192.48911	0.5
215.06897	0.4
260.51910	0.4
354.46417	0.5
383.12955	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1351
Annotation	Hymenoside T
Peak:m/z	Relative Intensity
55.01755	1.7
57.03319	4.5
59.01257	14.9
59.08915	1.2
63.75528	1.1
68.99712	1.4
71.00883	2.2
71.01256	21.3
71.04881	4.1
71.54532	1.2
72.99161	1.5
73.02837	6.5
78.93243	1.1
83.01251	3.1
83.04910	3.0
85.02822	10.8
87.00739	1.3
89.02308	4.5
93.03338	34.2
95.01275	5.4
96.99193	1.8
97.02869	1.3
99.00732	4.1
101.02324	15.7
101.05972	6.6
108.02062	2.7
108.42897	1.0
109.02836	1.2
111.48771	1.1
111.94676	1.2
113.02319	8.2
117.03342	3.1
119.03342	1.3
119.04923	2.3
121.02846	5.3
123.04338	1.6
127.00246	2.7
134.03662	1.6
135.04398	2.3
136.01572	4.1
136.07629	5.7
136.08484	1.3
137.02347	72.3
138.02713	4.1
145.02882	9.1
149.05995	1.1
161.04474	2.2
161.80394	1.1
163.03893	2.5
175.66504	1.1
177.05397	2.3
178.08669	4.0
179.03429	2.8
179.05713	1.2
179.07037	5.9
188.08499	1.5
191.03441	1.4
203.10733	12.4
221.11914	1.6
281.06729	1.9
336.42120	1.4
383.13470	100.0
384.14240	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	383.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.5
55.09366	0.4
56.17815	0.4
56.22714	0.4
59.01253	4.1
60.01604	0.4
68.34748	0.4
71.01264	3.6
71.54285	0.5
73.02822	1.6
83.01263	0.9
85.02814	2.5
86.76643	0.4
87.00764	0.8
89.02283	1.2
95.01214	0.4
96.95905	0.5
99.00768	0.6
101.02326	3.4
109.03181	0.4
113.02331	1.2
117.03355	25.1
118.03706	1.2
119.04916	5.8
127.00269	0.6
139.03867	0.4
142.74458	0.4
145.02863	100.0
146.03198	5.7
161.02296	0.6
161.04543	0.7
163.03937	9.3
164.04272	0.6
383.13470	45.9
384.13849	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	383.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96352	1.3
57.09727	1.3
66.28844	1.2
66.79750	1.2
71.40752	1.4
98.95555	1.4
174.63048	1.3
238.06129	1.5
278.68164	1.4
319.30087	1.5
321.31638	63.1
322.31998	7.5
365.30573	17.6
366.30765	2.5
383.31674	100.0
384.32129	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	385.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86359	1.3
57.02951	1.1
57.03300	2.0
59.01252	13.7
61.98697	5.7
67.01750	2.4
67.18011	1.1
71.01241	6.5
71.53955	2.0
72.99175	2.7
73.02808	2.9
83.01247	1.5
85.02831	8.4
87.00748	8.5
87.39516	1.3
89.02301	5.4
93.03351	4.0
95.04890	1.6
101.02333	5.0
109.02840	19.6
110.11427	1.2
111.00771	92.3
113.02377	2.8
117.03329	2.1
119.04880	2.4
123.04419	17.4
125.02364	1.3
129.01794	1.5
131.04935	1.5
133.02892	6.2
135.00735	1.2
135.04420	1.2
137.02328	7.1
145.02797	2.2
147.04420	6.1
150.03117	2.9
151.03888	10.7
153.08984	1.4
154.99783	3.2
159.04417	2.8
161.02370	7.0
163.06007	1.5
173.00848	10.6
176.01051	1.9
177.01869	33.3
178.02177	1.6
178.99786	2.3
187.03952	1.6
189.01871	89.8
190.02571	15.3
191.03423	16.6
201.01892	1.6
203.03464	9.8
205.12260	3.2
216.00554	9.4
217.01376	44.2
218.01971	4.9
219.02948	17.4
231.02989	13.9
232.03528	2.3
297.07745	1.5
323.05600	4.6
325.09201	1.4
341.06662	100.0
342.07019	12.6
367.11398	1.4
385.05557	14.1
385.11249	3.3
385.18835	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	385.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	3.7
62.92157	0.8
67.01771	1.0
69.74869	0.9
70.07767	2.1
70.08089	1.7
70.81470	0.8
71.01245	3.7
72.99153	1.3
77.83410	0.9
83.70158	0.8
85.02843	4.1
87.00737	2.4
89.02320	1.8
89.03834	1.2
93.03330	4.8
95.04894	2.6
98.20473	1.2
109.02847	20.3
113.02312	1.1
117.03302	1.2
119.04874	1.5
121.02827	3.5
122.03593	1.1
123.04415	16.4
133.02855	8.1
134.03590	2.9
135.04350	1.6
137.02315	1.1
139.03888	1.7
147.04437	2.9
149.02367	7.7
151.03925	9.8
159.04472	1.7
161.02350	7.8
162.03113	2.7
164.04724	5.1
165.01788	1.3
165.18016	1.0
173.02321	1.3
173.04439	2.9
174.01599	4.9
175.00243	3.8
175.03801	1.1
176.01118	2.3
176.04797	1.1
177.01872	32.3
178.02208	2.8
179.07039	1.2
187.03952	5.2
188.04630	2.7
189.01880	41.5
190.02643	21.1
191.03368	3.0
191.05515	11.4
193.01372	5.4
198.95930	0.9
203.03459	1.0
205.05017	12.5
206.05339	1.1
208.03647	3.4
211.05902	1.0
216.00591	8.5
217.01366	11.7
218.02065	2.4
219.02925	7.9
222.01663	2.2
223.06114	15.6
224.06494	1.0
227.07106	2.8
229.08704	3.3
231.02951	5.9
237.05083	1.1
253.05153	1.6
265.04846	1.3
269.08157	1.3
277.04767	1.0
281.04578	14.3
282.05307	1.9
297.07675	15.6
298.07938	1.2
323.05362	1.1
325.09100	1.0
341.06662	100.0
342.07028	11.2
359.85837	1.1
385.05939	4.8
385.11337	9.7
386.05936	1.2
386.11887	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07881	0.3
55.01752	1.7
57.03327	11.8
58.00461	0.4
58.20683	0.4
59.01254	6.8
68.99698	0.5
71.01258	3.7
71.16650	0.5
72.99169	1.8
75.00749	1.7
83.01254	1.6
84.02046	2.9
85.02826	100.0
86.03167	1.9
87.00735	2.8
89.02324	0.9
93.03323	0.4
99.00774	0.4
101.02328	1.2
101.97356	0.4
103.00235	2.2
111.00771	0.7
115.00248	1.3
129.01843	9.1
133.01323	0.7
134.03650	5.0
137.02319	0.5
147.02898	8.0
149.02351	0.7
163.02483	0.4
163.03868	0.5
164.04680	0.6
166.02660	0.8
173.00830	1.4
174.01578	2.0
178.02559	0.5
181.05046	0.5
191.01915	24.7
191.05498	2.1
192.02307	0.5
193.01314	0.5
193.05020	2.2
208.03676	0.5
209.02980	9.1
217.70132	0.4
223.06155	0.6
279.08759	0.8
306.19943	0.4
385.07413	0.5
385.11551	3.1
386.11859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.7
57.03325	14.2
59.01252	9.1
68.99678	0.5
69.70699	2.7
70.07055	0.5
71.01260	4.1
71.89036	0.5
72.99181	2.0
73.02814	0.7
75.00751	1.9
83.01268	2.4
84.02038	2.7
85.02825	100.0
86.03143	2.7
87.00746	2.1
89.02293	0.7
97.02836	0.5
98.19879	0.7
101.02334	1.2
103.00252	2.3
109.02860	0.8
111.00776	1.5
113.02309	0.8
115.00246	1.4
117.03312	0.7
119.04954	0.7
123.13872	0.5
129.01837	10.2
133.01241	0.6
134.03633	4.6
147.02890	9.0
149.05995	0.9
150.95767	0.5
173.00810	1.0
177.01830	0.6
178.02661	0.8
186.92308	0.5
189.01881	1.0
191.01906	24.2
193.05013	2.1
205.03441	0.6
209.02969	9.7
223.04410	1.1
233.80322	0.5
282.58340	0.5
341.06705	1.6
352.32343	0.6
385.07697	1.0
385.11731	2.7
403.59192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17648	0.6
55.01751	2.2
55.49781	0.6
57.03325	14.7
57.76563	0.6
59.01249	10.8
68.99701	0.7
71.01260	5.4
71.10329	1.3
72.99171	2.2
73.02820	0.9
75.00765	1.5
83.01245	2.4
84.02042	2.7
85.02824	100.0
86.03172	1.8
87.00750	2.0
103.00256	1.3
111.00807	1.5
115.00247	2.0
117.03317	0.9
129.01825	7.2
133.01335	1.2
134.03621	4.8
147.02881	8.8
173.00784	1.5
174.01639	3.5
190.19858	0.7
191.01891	24.6
193.05054	1.7
193.08667	0.8
201.82127	0.7
209.02960	14.0
220.28918	0.7
385.11667	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	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68822	1.0
52.33780	1.0
54.34140	1.0
57.03312	1.4
59.01246	3.7
69.26727	9.9
71.01254	4.4
72.99195	2.5
73.02821	2.5
75.00751	3.2
83.01280	2.7
85.02821	7.7
87.00754	4.7
98.20547	2.6
101.02322	2.3
113.99459	2.2
115.00256	6.7
115.49345	1.6
116.00575	1.1
149.02330	1.9
163.04008	1.2
173.90784	1.2
174.01625	77.8
175.02367	8.6
179.03502	2.1
209.08066	3.0
223.06076	4.0
225.21301	1.3
237.07735	1.6
239.09203	4.0
267.08798	4.6
295.08188	10.3
296.08917	1.2
306.61581	1.2
325.09222	11.9
385.11414	100.0
386.11731	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	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91138	0.7
55.01752	0.7
57.03310	0.8
58.64197	0.7
59.01252	8.1
69.84354	2.7
71.01254	6.6
72.99181	1.0
73.02829	1.4
83.01249	1.3
85.02818	5.2
87.00764	1.0
89.02311	3.0
93.03329	0.6
95.01252	0.7
98.40092	0.7
101.02317	4.8
111.00775	0.7
113.02310	2.9
119.01273	2.3
119.03424	0.8
121.02823	1.2
123.04417	0.7
132.02066	1.8
133.02858	24.6
134.03545	1.2
135.04424	6.0
137.02356	0.8
147.00761	1.1
149.02341	8.2
152.01036	1.0
153.61427	0.6
161.02356	100.0
162.02679	5.6
163.03914	1.2
163.44664	0.7
164.04703	9.6
165.01822	0.9
174.01637	1.8
175.00287	11.4
176.04611	0.7
179.03421	2.7
179.07007	3.8
180.07433	0.9
189.02029	0.9
190.02647	33.9
191.03090	2.2
193.01366	3.3
205.05014	60.5
206.05374	5.0
208.03725	9.2
215.86234	0.7
221.08105	0.9
223.06110	27.6
224.06424	1.5
247.06125	2.8
265.07193	2.1
273.26608	0.6
295.08090	1.1
325.09424	1.2
385.11386	70.7
386.11755	9.1
404.87665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1294
Annotation	Magnolone
Peak:m/z	Relative Intensity
54.58580	0.8
55.85370	0.8
57.03328	11.9
57.53936	0.8
59.00996	0.8
59.01255	6.4
59.54746	0.9
62.55759	0.9
66.39951	0.8
67.01729	1.2
69.03326	3.6
69.82980	0.8
69.83308	4.7
71.01254	2.6
77.03834	1.8
81.03349	8.6
83.01261	11.8
83.04917	1.6
85.02831	1.9
91.83100	0.9
93.03342	4.0
95.01274	3.1
95.04903	7.9
97.02858	7.7
98.19842	1.3
99.04395	5.4
103.22531	0.9
107.04922	2.1
109.02824	7.2
119.04958	1.0
120.02008	1.3
121.02819	7.2
122.03635	6.9
123.00785	11.8
123.04446	5.5
124.01597	4.7
125.02340	72.0
126.02685	1.6
128.34546	0.9
131.04950	2.0
133.02884	1.2
135.04401	4.1
137.02350	100.0
138.02992	6.6
139.03915	5.4
139.10632	1.0
145.06537	1.1
146.03645	18.3
147.04297	1.9
148.01456	0.9
148.05176	1.1
149.02376	2.0
149.05968	3.4
150.03113	3.4
151.03943	7.2
157.06476	1.4
158.03629	1.3
159.04401	6.1
160.05176	1.0
161.02341	2.8
161.05951	2.1
162.03128	1.7
163.00307	1.5
163.03899	1.1
164.01059	28.9
164.04703	1.2
165.01851	81.8
166.02211	4.4
167.03407	38.7
168.03731	2.7
172.05249	6.1
173.05998	16.9
174.03140	11.8
174.06792	5.2
175.03944	5.0
175.07568	41.5
176.04752	10.6
176.07892	2.6
177.01880	12.4
177.09074	1.4
179.03441	20.8
181.04971	2.9
185.06020	3.5
186.06763	2.5
187.03983	5.5
187.07539	9.7
188.04665	3.8
188.08133	1.1
189.05530	2.0
189.09123	5.7
190.02609	6.7
190.06181	1.0
191.03397	3.2
191.06990	3.0
196.05327	1.8
197.06018	1.4
198.06682	1.3
199.03946	0.9
199.07635	3.0
200.04652	7.8
201.05528	5.6
201.07533	1.4
201.09164	11.8
202.06194	5.5
203.07086	18.6
204.04227	3.2
204.07533	2.0
205.04816	1.6
205.08617	9.3
208.05038	0.9
209.06061	1.7
211.03938	2.6
211.07607	2.7
212.04668	2.1
213.05475	1.2
213.09103	2.9
214.06219	1.3
215.07104	3.1
216.07808	2.0
217.05188	1.0
217.08665	17.8
218.09149	1.2
219.10175	2.5
223.05978	1.8
225.05519	4.2
226.06320	4.5
227.06937	2.3
228.07765	2.1
229.08685	35.0
229.12170	1.3
230.09076	2.8
237.05510	1.3
237.09219	1.8
239.07133	3.1
239.10744	4.9
240.07867	3.2
241.08578	5.0
242.09335	1.5
244.07452	2.9
247.09741	10.2
248.09972	1.3
251.07262	1.4
252.07782	2.3
253.12355	1.2
254.05804	1.4
254.09479	3.3
255.10269	4.5
257.11819	4.5
266.09415	1.2
268.07458	4.9
269.08060	2.1
270.08969	2.0
273.11377	2.7
281.11832	8.3
283.09698	6.0
288.06396	1.9
294.08975	3.9
296.06824	1.3
297.11484	7.5
298.12109	1.7
299.12985	9.7
301.10849	2.5
305.11816	1.1
323.12885	30.6
324.13300	3.7
325.10498	2.7
341.10217	2.6
341.13943	3.8
349.10764	2.1
367.11853	67.3
368.12341	10.5
385.12946	34.7
386.13254	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	385.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	12.2
59.01257	6.0
65.03846	0.9
67.01751	1.7
69.03318	3.1
71.01253	1.1
71.34308	1.3
71.34645	1.2
81.03337	8.0
81.67848	0.9
83.01260	13.0
85.02826	1.1
92.58490	0.8
93.03335	3.7
95.01272	1.6
95.04913	6.7
97.02831	9.1
99.04398	4.4
99.70388	0.8
107.04919	3.8
108.02047	1.4
109.02850	7.7
121.02855	7.2
121.06510	1.5
122.03633	5.0
123.00766	2.6
123.04411	3.2
124.01574	2.7
125.02341	68.8
126.02679	2.8
129.06958	1.0
131.04909	1.4
133.02870	1.7
135.04405	4.2
137.02345	100.0
138.02798	3.0
139.03909	3.3
145.02850	1.1
145.06396	0.9
146.03648	21.0
147.04364	3.1
148.05202	0.9
149.02318	1.9
149.06012	4.3
150.03085	3.3
151.03891	5.9
157.06526	1.8
159.04434	6.5
160.05060	1.3
161.02359	1.6
161.05922	3.1
163.00261	1.5
163.07530	1.5
164.01068	28.8
165.01857	74.9
166.02277	3.9
167.03419	31.5
167.04872	1.1
168.03743	1.3
172.05244	5.8
173.05998	13.6
174.03140	11.7
174.06732	6.5
175.04036	4.8
175.07571	41.0
176.04672	10.3
176.07982	3.0
177.01869	10.6
177.05428	1.0
179.03430	18.6
181.04985	1.8
185.05974	2.8
186.06847	3.0
187.03938	4.4
187.07558	8.8
188.04616	3.6
188.08130	1.1
189.05457	3.5
189.09158	6.4
190.02669	4.7
190.06204	1.4
191.03467	3.2
191.07059	1.6
197.06030	1.1
199.03871	1.8
199.07600	3.0
200.04788	6.0
200.08353	1.2
201.05489	5.5
201.09164	8.5
202.06287	3.6
202.09610	1.1
203.07085	17.7
204.04247	4.0
204.07547	2.0
205.08629	9.1
211.04012	2.3
211.07526	2.3
212.04716	2.0
213.09099	2.3
214.06331	1.8
215.07074	1.8
216.07790	2.5
217.08665	16.0
218.05829	1.0
223.07573	1.0
225.05583	4.2
226.06339	4.4
227.06963	2.8
227.10605	1.1
229.08673	35.0
229.12186	2.0
230.09035	3.3
237.05649	1.4
237.09229	1.4
239.07085	2.8
239.10628	4.9
240.07796	2.2
241.08554	5.9
244.07442	2.8
245.08232	1.2
247.09747	11.0
251.07156	2.6
252.07924	2.0
253.08644	1.2
254.05933	1.8
254.09450	2.9
255.10269	7.7
257.11902	3.2
264.07828	1.2
265.08640	2.5
268.07367	3.3
270.09048	1.4
273.11414	1.6
279.10135	1.8
280.11029	1.1
281.11826	8.6
283.09763	4.9
284.10440	1.3
288.06256	3.6
294.08997	3.7
295.09875	1.7
296.07083	1.1
297.11401	5.2
298.11832	1.2
299.12845	10.1
301.10883	1.8
320.06824	1.1
323.12885	27.7
324.13281	3.9
325.10696	2.2
341.10327	2.8
341.14014	4.5
349.10846	2.7
367.11865	72.3
368.12228	8.9
385.12924	32.3
386.13107	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	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.1
59.01252	100.0
60.01580	0.9
69.03349	1.2
70.51539	1.2
70.51881	0.8
71.01254	3.3
73.02870	0.9
73.77494	0.8
75.29702	0.8
77.03860	0.8
81.03320	1.3
83.01275	4.6
85.02827	1.4
87.00760	3.2
93.03358	2.6
93.38235	0.8
95.04930	0.8
97.02844	2.4
101.02319	1.8
109.02845	4.4
113.02335	1.1
121.02863	3.2
122.03611	1.7
123.04408	9.2
124.01576	1.1
124.04805	1.0
125.02354	13.4
137.02350	50.6
138.02669	1.4
146.03644	3.0
148.05208	21.5
149.02342	1.9
149.05664	1.0
150.03152	9.9
151.03889	1.4
153.05504	8.3
159.04416	1.5
161.02420	1.5
161.04466	2.9
163.07568	25.7
164.01126	6.2
164.07877	1.9
165.01849	27.2
166.02194	0.9
167.03433	4.3
172.05211	3.2
173.06009	2.5
174.03191	3.1
175.03909	1.6
175.07556	4.8
176.04626	0.9
177.01854	1.0
179.03429	5.3
187.07593	3.3
200.04724	2.3
201.05452	1.6
201.09167	3.9
203.07048	3.1
205.08659	1.1
217.08644	3.0
218.05673	1.2
218.09419	1.6
219.10274	2.0
227.07108	1.0
229.08687	5.1
247.09741	9.8
253.08870	0.8
266.67474	0.8
270.05222	1.0
281.11713	1.3
287.05597	1.5
288.06390	2.0
299.13080	1.1
323.12772	2.5
345.16467	0.8
367.11795	5.7
370.12878	0.9
385.12921	14.0
386.13251	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	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.0
59.01253	100.0
60.01585	0.8
61.98701	2.9
65.91884	0.5
69.67841	2.1
69.72775	0.5
71.01264	3.2
73.02826	1.0
83.01260	0.7
83.14648	0.4
85.02846	2.3
89.02338	2.1
101.02321	3.2
108.02063	0.6
108.45480	0.6
113.02346	2.6
119.03369	1.1
125.02343	0.9
137.02383	1.6
149.02339	0.6
150.98509	0.5
151.00183	0.5
161.04503	2.0
164.81566	0.5
165.01892	0.9
174.22597	0.5
205.12399	1.5
223.13348	1.4
385.12686	0.7
385.18582	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56231	1.0
59.01255	100.0
60.01585	1.8
60.33328	1.0
69.44592	6.1
69.45007	2.1
71.01255	1.2
101.02324	1.4
119.04987	2.3
125.02354	2.0
137.02362	3.8
148.15587	1.1
165.01862	1.4
206.45747	1.1
294.99646	1.0
372.34811	1.2
385.14850	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	385.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	1.1
66.85645	0.3
69.35236	2.4
72.36654	0.3
85.02817	1.2
94.76760	0.3
105.06957	0.8
105.95587	0.3
108.02020	1.1
109.02844	1.7
119.04909	0.5
121.02818	0.7
123.00764	0.9
123.04433	1.8
124.37513	0.3
131.04939	1.5
132.02065	0.5
133.02858	0.5
133.06448	1.1
134.03558	0.4
136.05174	0.3
137.02319	0.3
138.03088	1.4
145.02855	0.5
147.04425	3.1
149.02339	0.7
149.05972	2.4
151.03891	0.7
159.04388	0.8
160.05249	1.5
164.04683	5.6
165.25433	0.3
172.05278	0.5
174.06737	1.1
175.04047	0.4
175.07454	0.4
187.07581	0.3
189.09250	0.3
192.04251	0.6
207.06570	19.8
208.06876	1.4
210.04407	0.3
210.06715	0.6
225.09195	0.6
237.09023	1.1
238.06285	1.4
239.07118	0.3
240.07860	0.5
250.06221	0.4
252.07784	0.4
253.08632	2.6
255.06583	0.4
264.07864	0.3
265.05017	0.3
265.08749	2.0
266.05847	5.6
266.09216	0.8
267.06253	0.8
267.10248	0.4
269.08093	0.3
280.07407	1.0
280.10782	0.4
281.08188	34.8
282.08560	3.7
295.09708	2.7
296.10532	34.4
296.13174	0.5
297.10864	3.6
300.09998	1.1
310.12076	2.4
311.12881	46.3
312.13242	5.7
314.11618	0.3
325.14502	6.4
326.15073	1.4
340.24411	0.3
358.14252	0.8
374.87769	0.3
385.16565	100.0
386.16882	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	385.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.6
59.32360	0.4
61.30536	0.5
69.69815	0.5
71.01237	0.8
71.09472	1.1
83.05508	0.5
85.02806	1.8
103.05441	0.7
105.06985	1.0
107.95465	0.6
108.02070	2.1
109.02854	2.9
115.05398	0.7
119.04920	1.8
121.02827	1.3
123.04410	2.2
131.04921	4.0
133.06505	4.0
134.03642	5.2
137.02324	1.0
138.03146	0.9
145.02846	0.8
147.04414	5.1
148.05205	5.5
149.02371	1.7
149.06000	7.5
151.03831	0.6
152.23213	0.6
152.93747	0.5
159.04419	1.3
160.05196	2.1
163.07538	2.1
164.04709	13.1
165.05092	1.0
172.05244	1.4
173.05975	0.9
177.05479	0.6
187.07637	1.1
192.04216	1.2
207.06573	100.0
208.06863	4.9
238.06325	1.7
239.03444	0.7
239.86398	0.5
251.10805	0.6
252.04547	0.6
253.04984	1.4
253.08792	2.8
265.08655	0.7
266.05869	4.7
266.08704	0.6
266.09390	0.4
268.07343	1.1
269.08347	0.8
280.07407	1.0
281.08221	27.0
281.11377	1.4
282.08533	2.0
283.09851	0.9
295.09857	2.5
296.10538	26.3
297.10803	2.6
300.10004	5.3
310.11987	1.8
311.12897	38.9
312.13208	4.5
314.11569	0.6
325.14447	4.8
326.14935	1.9
358.14215	1.2
385.16599	87.4
386.16931	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	387.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57570	1.2
55.26976	1.4
59.01253	20.4
61.98692	4.7
63.60740	1.3
63.69354	1.0
66.24966	1.1
67.01750	2.7
69.03329	1.5
71.01252	11.2
71.54083	2.2
72.99181	5.7
73.02816	3.9
75.00736	4.1
83.01254	2.7
83.04890	1.8
85.02824	24.1
87.00743	8.8
89.02331	5.9
93.03333	40.3
99.00732	2.8
101.02309	5.8
103.03864	1.7
108.02062	6.4
109.02823	4.4
111.04411	5.4
113.02322	5.8
119.03387	2.4
121.02848	5.9
123.00772	2.6
123.04436	10.0
124.01538	1.5
125.02331	6.1
127.03902	3.2
133.02853	4.5
135.04468	1.4
137.02342	21.8
138.03105	1.3
139.03865	2.8
149.02306	2.6
149.05954	1.4
151.03915	20.0
161.04446	1.5
163.11183	4.1
165.05495	2.2
166.02570	1.3
167.03462	2.1
173.04482	13.7
177.01826	2.8
178.02452	1.3
181.04974	2.6
183.40799	1.2
190.02345	1.5
190.50148	1.2
191.05540	100.0
192.04326	1.6
192.05788	5.8
195.02904	5.2
207.06482	1.9
220.72395	1.2
221.07582	1.1
225.07642	16.7
253.90414	1.2
321.97446	1.3
337.09244	1.9
343.07278	3.5
369.08325	2.0
387.08917	1.6
387.12537	21.4
387.16708	11.3
388.13452	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63324	3.4
59.01252	93.8
61.98711	4.4
67.01759	3.5
69.59077	12.5
71.01260	47.9
72.99199	6.5
73.02846	5.5
83.01268	5.5
85.02818	23.2
87.00742	4.0
89.02309	33.3
93.03341	31.4
95.01248	5.9
101.02331	27.2
108.02060	4.7
110.81031	3.8
113.02358	15.7
119.03397	14.0
121.02836	7.1
123.00731	4.0
123.04391	7.9
125.02328	4.4
137.02335	32.5
149.02382	9.4
151.03931	10.2
159.64026	3.4
173.04526	5.4
177.01859	70.6
191.05554	44.2
192.04205	100.0
192.05942	7.5
193.04602	5.2
199.08975	3.4
207.06566	95.9
208.06885	7.8
225.07669	7.4
303.45743	3.3
372.34695	3.4
386.42279	3.5
387.12857	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	387.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45606	3.2
55.19882	3.1
57.03339	3.4
59.01255	86.9
61.98708	5.8
71.01260	48.1
71.02351	4.4
71.02667	3.6
72.99181	9.6
73.02821	7.8
75.00745	8.8
83.01250	7.2
85.02829	25.9
85.18663	3.4
87.00751	11.1
89.02325	35.6
93.03339	63.5
95.01283	5.2
101.02327	30.0
108.02027	4.9
109.02837	7.3
113.02338	15.2
119.03394	13.9
121.02853	5.4
123.00786	7.8
123.04428	7.6
124.01530	3.9
127.03927	3.7
133.02881	4.6
137.02342	62.3
149.02327	8.8
151.03935	22.2
159.03101	3.0
161.04402	4.3
163.11227	7.7
173.04454	9.9
177.01860	47.2
178.02585	4.5
179.03406	4.2
191.05545	85.3
192.04236	61.4
192.05894	7.9
193.04819	4.1
207.06581	100.0
208.06900	7.9
225.07770	16.4
347.17368	3.4
387.08569	6.0
387.12708	49.6
387.16904	12.6
388.13321	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	387.145
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
52.73577	0.5
57.03325	3.3
59.01256	3.9
65.61297	0.5
68.20585	0.5
71.01248	2.9
73.02790	1.3
81.03349	2.7
83.01268	4.0
85.02805	1.5
89.02310	1.7
93.03330	1.7
95.01268	1.5
95.04908	3.7
96.95881	0.5
97.02838	8.7
99.04390	0.6
99.20350	0.6
101.02320	1.2
108.02047	1.0
109.02839	29.7
110.03162	1.3
113.02303	1.1
117.03283	0.6
121.02840	4.7
121.10094	1.5
122.03604	1.8
123.03533	1.0
123.04411	17.7
124.01521	0.6
124.04770	0.8
125.02345	16.2
130.03999	0.5
133.02904	0.7
135.04395	1.9
135.07986	0.8
137.02348	11.1
138.02859	0.6
139.03108	0.5
139.03937	4.3
145.02887	1.1
146.03619	2.3
149.02356	5.2
150.03160	1.0
151.03917	11.3
152.04248	0.8
153.09067	0.6
157.06364	0.5
159.04391	3.2
160.05161	1.7
161.02319	2.0
161.04652	0.9
161.05998	6.8
162.03120	2.5
163.03899	2.0
164.01060	3.1
165.01866	5.9
165.05461	0.7
165.09135	0.8
166.02396	0.9
167.03371	1.5
171.10143	0.6
173.06012	0.9
174.03064	1.0
175.03941	3.8
175.07536	2.9
177.05420	1.0
179.03406	6.3
179.07021	1.7
185.06036	1.1
187.03961	5.9
188.04706	4.7
191.07060	1.4
193.08583	0.7
195.97269	0.5
199.07558	1.1
201.05450	1.0
202.06245	2.9
203.07092	17.0
204.58160	0.7
205.05014	12.2
206.05406	0.8
212.04680	1.0
219.06529	1.0
221.08153	3.5
227.07071	1.9
229.04843	0.9
230.05777	1.1
231.02921	1.0
233.08118	1.1
245.08179	20.7
246.08524	1.0
247.06166	1.5
271.06168	1.3
289.07193	100.0
290.07507	8.7
299.12842	2.0
343.11877	13.1
343.15869	1.0
344.12213	1.2
345.22803	2.2
369.13489	1.6
387.14505	45.6
387.24091	1.7
388.14819	6.2
390.09506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.166
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
57.03326	1.1
58.00470	1.8
59.01252	97.4
60.00769	2.0
60.01591	0.8
60.96255	0.6
61.01953	0.5
61.98679	0.6
71.01256	22.5
71.40846	1.1
72.99184	3.1
73.02814	1.7
75.00756	1.0
75.80023	0.7
78.95786	1.5
83.01269	1.7
85.02821	7.1
85.35892	0.5
87.00776	1.1
88.08080	0.6
89.02316	17.0
95.01279	2.2
96.96851	2.5
98.02309	0.7
99.00755	1.2
101.02321	14.4
105.01832	0.7
109.02827	0.8
113.02334	7.5
119.03395	7.2
121.02874	1.0
122.60431	0.7
125.02334	1.4
125.64099	0.6
137.02338	1.5
139.00301	0.8
153.01848	0.8
158.63629	0.6
161.04445	1.4
163.11221	5.2
165.02010	0.7
166.05016	20.3
166.06409	1.3
173.66901	0.6
181.05101	0.8
207.10217	12.8
208.10541	0.8
211.06615	0.6
289.07111	1.5
387.16623	100.0
388.16882	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44571	0.6
55.81941	0.5
59.01247	3.7
61.04396	0.6
61.98687	1.6
62.21473	0.5
66.33064	0.7
71.01261	1.4
71.53840	0.9
75.00762	0.9
103.00249	1.0
121.02856	1.0
123.00746	2.8
123.04401	0.9
134.03630	17.5
135.04018	1.0
137.02342	0.9
138.03098	2.7
149.05994	32.4
150.06322	1.8
163.07559	52.8
164.07909	3.1
177.09157	2.3
187.55145	0.7
193.04820	0.6
193.08684	0.7
196.07358	1.7
269.08148	5.1
283.09674	1.1
284.10547	5.7
298.12088	2.6
299.12833	7.2
313.14508	4.5
327.16043	1.7
360.15576	1.4
387.18130	100.0
388.18436	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1814
Annotation	Rubrisandrin B
Peak:m/z	Relative Intensity
54.65235	0.6
59.01247	2.9
61.98718	1.1
64.80505	0.6
71.01250	0.9
78.41813	0.6
84.25096	0.7
89.02313	0.9
96.95940	0.7
98.19775	2.4
100.67083	0.7
121.02797	0.7
123.00771	2.9
123.04430	1.4
134.03642	21.5
138.03114	1.4
149.05991	40.0
150.06316	1.8
163.07561	60.2
164.07892	3.6
177.09138	2.0
193.05011	1.0
193.30476	0.7
196.07333	1.5
207.06425	0.9
254.05875	0.9
269.08167	4.6
283.09808	1.4
284.10489	6.0
285.10989	0.9
288.66733	0.6
298.12131	2.8
299.12952	6.9
313.14484	3.9
326.08334	0.6
327.16171	2.0
360.15616	1.0
387.18143	100.0
388.18457	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	387.231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	100.0
62.66199	24.6
64.05847	25.7
70.01939	87.1
70.31489	23.7
71.01260	53.4
77.41625	26.1
86.61110	26.0
91.29441	28.5
124.07552	22.8
158.81624	29.4
184.85359	24.9
203.10260	23.9
245.84821	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	389.1456
Annotation	Reptoside
Peak:m/z	Relative Intensity
55.01759	2.8
57.03330	2.1
58.00455	1.4
59.01253	41.2
69.86456	1.3
70.55327	2.0
70.55691	3.4
71.01257	42.2
72.99191	3.3
73.02825	12.2
75.00738	3.1
83.01273	6.3
85.02833	19.5
87.00740	6.2
89.02309	14.6
95.01266	2.0
99.00750	4.9
101.02325	38.8
102.02714	1.8
109.02856	6.8
113.02335	16.3
119.03410	10.1
125.02332	1.6
131.03389	2.2
137.02345	60.7
138.02957	2.9
149.06044	1.5
151.00429	1.5
152.01132	2.1
152.04688	20.4
153.05585	2.7
159.02849	1.7
161.04517	10.9
165.05568	1.7
167.03334	1.5
167.07083	3.0
179.03426	6.0
184.03685	6.1
193.05014	2.2
194.05753	4.2
197.04533	2.8
209.08160	8.7
212.06876	24.9
213.07372	2.2
214.66994	1.3
221.06639	1.6
227.09227	100.0
228.09436	6.6
237.06178	2.0
246.58817	1.2
246.89351	1.5
293.73294	1.5
309.27005	1.3
389.14554	72.4
390.14954	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	389.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38253	0.9
55.99035	0.9
59.01254	100.0
60.01598	1.7
61.98705	1.2
69.39753	6.9
71.01248	6.8
73.02836	1.6
75.83080	1.0
77.99912	0.9
85.02825	3.4
89.02312	2.9
94.11688	0.9
95.01256	1.5
99.00771	2.1
101.02320	6.2
102.75941	0.8
108.02060	1.3
113.02346	2.8
119.03404	2.1
161.04463	3.9
244.19348	0.9
329.12433	3.0
329.16013	1.6
389.17886	1.9
411.08920	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43130	4.0
59.01251	43.2
61.98699	7.1
68.99687	3.9
69.76289	10.3
69.76704	16.4
71.01263	8.4
85.06464	30.2
101.02370	5.6
107.05000	5.0
108.02006	5.1
109.02831	7.8
121.02847	11.7
123.00760	5.5
123.04368	10.1
137.02344	22.3
151.03867	19.0
156.06972	4.6
163.03925	27.7
163.07539	5.1
164.01035	13.8
167.07086	6.7
172.34229	4.6
175.07574	14.3
177.05428	7.4
178.06325	21.1
179.03442	57.4
193.04985	10.8
193.08536	5.9
194.05823	32.1
195.06471	5.1
199.03986	11.6
200.04720	16.8
204.07774	4.7
211.03798	7.4
221.99422	5.2
227.03410	15.0
228.04242	23.6
256.03787	36.3
271.06128	77.2
272.06244	10.5
286.08469	93.2
287.08832	12.6
301.10806	100.0
302.10934	7.3
329.13885	9.6
330.11011	7.0
345.13464	13.1
356.19946	6.3
389.15411	8.8
389.19748	9.0
390.16122	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	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
66.03065	10.3
70.12513	19.3
70.12901	20.9
88.73782	9.0
92.37477	9.5
98.20423	14.0
131.97760	10.6
159.75659	9.7
283.13312	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
63.50468	4.8
69.53982	12.4
69.54390	17.5
80.96385	12.2
82.80109	4.2
184.92233	5.1
218.26125	4.7
234.92728	4.2
255.23216	10.2
305.22455	4.6
386.35947	5.0
396.96182	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59972	4.2
55.23329	3.9
59.01247	30.5
65.35394	4.4
69.32134	5.8
69.32534	23.5
79.95609	83.1
80.96398	55.6
85.02825	4.7
87.00745	70.2
102.98505	5.5
118.26458	3.5
126.95197	12.3
129.54243	3.4
152.96735	19.0
163.77385	3.9
168.96274	39.8
196.95778	100.0
214.96840	34.5
264.63354	4.3
279.72906	4.6
288.21100	3.9
363.12576	4.2
376.83508	3.9
391.01422	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	391.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99482	3.8
59.01250	5.3
60.97396	1.5
61.98695	1.4
70.00443	1.2
70.00835	1.2
71.01256	1.0
79.95609	86.7
80.96394	61.1
80.96895	0.6
82.24983	0.5
83.65018	0.6
85.02836	0.8
87.00756	79.9
88.01114	1.4
89.02325	0.6
93.97198	0.9
94.97968	1.7
96.94118	0.8
100.07332	0.5
101.02322	0.8
102.98485	7.9
106.97948	1.3
109.69682	0.5
124.93631	4.9
125.42616	0.5
126.95196	12.7
134.03618	2.0
152.96767	19.7
168.96266	35.7
169.96539	0.7
178.23433	0.5
195.14575	0.5
196.95781	100.0
197.96007	3.2
214.88417	0.6
214.96855	28.8
215.96951	0.7
266.60541	0.6
391.01639	28.0
392.01974	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01590	1.4
65.79999	0.4
69.46754	1.7
69.47182	1.2
71.01250	5.1
73.02830	1.5
83.01273	1.2
85.02824	3.0
85.03282	0.4
89.02339	0.8
95.39861	0.4
99.00800	1.1
101.02322	4.5
111.75516	0.5
113.02331	2.3
150.03107	0.8
159.02965	0.5
161.04477	5.0
165.05551	0.5
198.36430	0.4
206.67557	0.5
229.05183	0.7
292.67883	0.5
331.17578	9.8
332.18036	1.2
391.19629	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01595	1.6
60.27694	0.4
64.57368	0.4
65.00195	0.4
71.01250	5.0
72.99201	0.5
73.02821	1.3
83.01272	1.4
85.02827	1.8
87.00755	0.4
89.02316	3.1
95.01285	0.6
99.00760	0.7
101.02325	3.8
107.01279	0.6
109.90865	0.4
113.02348	2.2
119.03417	1.6
135.04391	0.8
137.02316	0.5
143.03407	0.8
145.02876	0.7
150.03159	0.9
151.00368	0.5
161.04485	3.1
165.05490	0.7
179.05565	0.9
180.07809	0.6
185.06105	0.4
189.76595	0.4
195.06578	0.8
196.95755	0.4
229.05037	4.4
230.05592	0.5
331.17563	3.8
332.18176	0.5
343.11710	0.5
376.15277	0.5
391.18024	1.3
406.35663	0.5
407.21274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17982	0.5
59.01253	100.0
60.01592	1.2
68.84929	0.4
69.26053	2.0
69.26478	1.7
71.01266	3.8
71.70082	0.5
73.02832	0.8
83.01240	0.5
85.02838	1.6
89.02337	3.3
91.81492	0.4
98.20539	1.1
101.02321	3.5
105.11470	0.4
113.02351	1.8
119.03411	1.7
135.04381	0.6
143.03403	0.6
144.98463	0.4
161.04523	1.7
161.05844	0.4
179.05678	0.6
180.07832	0.9
211.09590	0.4
225.09322	0.5
251.68919	0.4
331.17593	4.8
332.18219	0.8
361.16556	0.5
365.69385	0.6
369.96606	0.4
371.25635	0.5
391.18008	0.9
392.18573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85497	0.6
58.84299	0.5
59.01253	100.0
60.01581	1.3
60.05253	0.5
62.67580	0.6
63.51251	0.6
71.01251	5.0
71.41605	0.9
73.02828	1.1
78.01203	0.5
82.79673	0.6
85.02856	1.9
85.96332	0.7
89.02311	4.5
101.02307	3.2
113.02366	2.5
119.03383	3.1
150.03148	0.6
152.92857	0.7
160.65623	0.6
161.04486	2.4
178.71133	0.6
179.05615	1.4
195.72421	0.6
331.17535	3.6
353.41519	0.6
391.19528	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01722	0.7
58.00475	1.0
58.68527	0.6
59.01252	100.0
59.42374	0.6
60.01582	1.6
69.48423	1.3
69.48828	3.0
71.01255	18.2
71.32872	0.6
72.99187	1.0
73.02821	2.3
83.01241	1.0
85.02832	4.6
87.00783	1.0
89.02321	19.9
92.10065	0.6
95.01289	1.6
98.19742	1.1
101.02321	12.7
113.02337	9.0
119.03389	8.5
123.04441	0.8
131.03448	1.4
143.03429	1.8
149.04524	1.4
159.02881	1.0
161.04472	8.1
179.05507	4.7
331.17566	8.6
332.18140	1.1
332.26434	0.7
391.27280	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01603	1.0
62.83998	0.6
69.02277	0.6
69.67188	2.0
69.67608	1.4
71.01260	5.3
73.02827	0.6
84.83138	0.6
85.02851	1.4
89.02316	5.6
101.02310	3.4
110.97287	0.5
113.02350	2.0
119.03399	2.7
135.27812	0.7
161.04475	1.6
179.05539	0.8
196.25105	0.7
245.89169	0.6
331.17819	0.9
391.19638	1.4
391.27032	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	79.2
60.01572	9.7
61.98704	100.0
71.01261	18.2
81.50697	5.4
82.34586	5.0
85.02832	7.1
89.02322	13.8
96.95905	7.6
98.84269	5.4
101.02322	11.7
113.02351	12.0
120.65392	5.1
147.12347	5.4
150.86249	5.3
162.04834	5.3
241.90074	6.6
242.10756	5.6
310.28293	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	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.2
57.03321	1.9
58.00470	3.5
59.01252	95.1
60.01600	1.5
68.99686	0.6
69.03331	0.7
70.82718	0.5
71.01254	78.2
71.41077	1.0
72.01590	1.2
72.99179	5.9
73.02818	12.2
81.03317	0.6
83.01264	3.5
85.02825	13.6
85.99964	1.7
86.46524	0.5
87.00756	10.0
89.02318	100.0
90.02660	1.6
95.01266	1.2
95.04893	1.2
97.02249	0.6
97.02817	1.1
97.06477	2.9
99.00745	2.0
101.02322	40.4
101.05963	1.8
102.02650	1.1
109.02817	0.8
111.00747	1.6
113.02335	13.1
114.02704	0.8
115.03902	0.7
115.07504	2.5
119.03393	9.4
120.99500	1.5
125.02319	2.1
129.01830	0.7
131.03395	44.3
132.03729	0.9
143.03403	1.6
145.02925	0.6
149.04462	52.1
150.04750	1.2
159.06502	1.9
161.04414	2.3
179.05469	2.2
191.05539	19.0
192.05853	0.8
241.25682	0.5
261.13293	2.2
270.23648	0.5
283.20758	0.7
321.11444	0.6
335.02682	0.6
366.44785	0.7
375.16806	0.7
393.17706	8.4
393.24847	0.7
394.17755	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.2
56.69932	0.6
57.03329	1.3
58.00467	2.6
59.01253	87.2
60.01586	1.2
61.98703	0.6
69.03328	0.8
70.93919	1.4
71.01255	67.2
72.01591	1.0
72.99187	4.3
73.02823	14.2
75.00748	1.4
83.01268	2.4
85.02821	10.5
86.03144	0.6
87.00774	3.1
89.02319	100.0
90.02629	1.4
95.01263	2.1
97.02839	1.9
99.00760	20.8
101.02326	36.8
107.48535	0.6
113.02334	16.7
115.03818	0.8
119.03392	15.8
125.02332	4.7
129.01817	0.7
131.02464	1.0
131.03398	16.2
131.48593	0.7
137.02309	0.7
143.03348	2.8
149.04460	39.4
150.04745	0.8
161.04483	4.9
163.00208	0.9
178.99702	0.6
179.05530	8.0
184.68541	0.7
188.94574	0.7
191.05544	11.0
221.06479	1.5
237.05849	0.6
251.07578	2.2
261.13174	1.9
280.58478	0.6
310.62054	0.6
393.12231	0.9
393.17615	17.4
394.17615	1.8
396.11108	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	4.0
57.03310	2.2
57.46169	0.6
58.00459	0.8
59.01252	33.8
60.97660	0.5
69.03310	0.8
69.58700	1.2
69.59116	1.6
71.01255	43.0
72.99173	2.4
73.02820	24.5
73.03242	0.9
75.00746	1.6
79.95592	0.9
80.96407	0.6
81.03296	0.6
83.01255	8.6
85.02824	24.0
85.99975	0.5
87.00762	3.3
89.02319	9.0
89.04023	0.5
93.03310	0.7
95.01289	3.4
95.43704	0.5
97.02824	3.1
99.00768	9.3
99.07987	1.0
101.02324	46.3
102.02639	0.7
109.02842	2.8
111.00764	1.2
113.02330	17.0
113.44568	0.5
115.03913	1.5
119.03397	0.6
121.02813	1.1
122.03627	2.3
125.02345	3.5
129.01797	1.2
131.03383	2.3
133.02795	0.7
137.02318	0.6
143.03397	1.8
143.80142	0.6
149.02379	4.5
149.04422	1.5
150.03133	14.9
155.53500	0.6
159.02896	3.2
161.04465	19.5
162.04793	0.5
164.04637	1.5
165.05487	17.7
166.05676	0.8
170.95810	0.6
180.04268	0.8
191.05559	1.1
195.06566	11.8
197.08131	1.5
198.95366	1.7
205.03365	0.8
233.06606	1.6
233.86234	0.6
261.13431	71.6
262.13824	5.1
270.08936	0.7
293.08807	0.8
305.12384	0.8
327.12558	0.5
333.15506	1.7
345.13351	4.6
346.13763	0.9
378.83691	0.6
393.17670	100.0
394.17987	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	393.2132
Annotation	JBIR-56
Peak:m/z	Relative Intensity
53.59638	0.9
55.01749	1.8
57.03313	2.0
59.01250	100.0
60.01570	1.2
61.98693	1.7
64.42018	0.8
69.31039	1.8
69.31441	5.1
71.01254	18.6
72.99172	0.9
73.02821	7.5
83.01245	4.0
85.02818	11.2
85.99960	0.7
87.00751	1.5
89.02332	5.9
93.03316	1.0
95.01245	1.3
96.28429	0.7
97.02872	0.9
99.00758	2.4
101.02315	19.0
101.05953	1.4
113.02339	7.9
119.03383	1.3
119.04958	0.9
120.99517	1.1
131.40791	0.8
139.06538	0.8
151.00296	1.4
159.02858	1.4
161.04408	4.6
231.02834	1.5
231.16040	1.2
271.06094	2.6
333.09647	1.2
333.19016	5.7
375.20236	3.8
393.21262	85.7
394.21625	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	394.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59022	1.5
59.01256	31.6
60.01588	5.4
61.01675	7.1
61.98705	100.0
63.07466	1.5
69.69733	9.6
71.01263	4.7
73.01667	1.9
73.02830	2.3
85.02821	2.6
89.02375	1.8
98.19772	2.5
101.02312	4.5
119.03429	1.6
152.04999	1.9
161.04497	3.1
230.84541	1.7
283.89359	1.7
330.28061	2.0
334.18671	2.3
405.75250	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	394.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71183	1.5
59.01253	26.7
60.01597	2.9
61.01669	3.5
61.98709	100.0
68.08630	1.2
69.73768	7.6
71.01235	3.2
80.26428	1.5
85.02836	2.9
89.02335	2.0
101.02309	3.3
107.63633	1.3
133.50359	1.5
161.04527	1.9
168.88890	1.4
179.55330	1.5
263.43900	1.7
335.82809	1.5
379.52258	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1923
Annotation	Creoside IV
Peak:m/z	Relative Intensity
55.01763	6.1
56.99743	0.6
57.03320	5.7
58.00468	3.9
59.01252	75.6
60.01587	1.2
60.93203	0.5
61.01686	0.4
61.39304	0.5
68.99691	0.7
69.03324	2.3
69.70487	1.1
69.70896	1.8
71.01254	87.1
72.01594	0.9
72.82658	0.5
72.99184	6.2
73.02821	30.2
75.00747	1.9
78.50101	0.4
79.71362	0.5
81.03321	1.1
83.01258	18.8
85.02826	34.7
85.99976	2.0
86.03162	1.0
87.00748	5.2
89.02320	38.8
90.02698	0.6
95.01265	3.1
97.02837	3.0
99.00767	11.5
99.08021	1.1
101.02324	86.9
101.09627	0.9
102.02666	1.4
105.70996	0.4
111.00768	7.4
111.01477	0.7
113.02330	26.7
114.02695	0.6
115.03910	1.6
119.03397	1.9
125.02353	4.7
127.03898	0.7
129.01819	2.1
131.03400	31.3
132.03697	0.8
133.26472	0.5
143.03407	4.2
143.10683	0.6
145.08647	0.6
149.04466	9.7
159.02873	4.0
161.04463	20.8
162.04825	0.9
171.10214	1.1
173.04463	0.6
191.05521	0.8
205.03455	1.6
209.11832	1.2
215.05528	0.7
233.06606	4.7
245.13879	1.5
263.14987	100.0
264.15335	6.5
293.08765	0.9
307.14038	1.4
379.89301	0.4
395.19214	61.9
396.19531	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	395.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	6.2
57.03325	4.5
58.00468	2.4
59.01252	43.5
60.01577	0.7
60.61212	0.4
67.01751	0.4
68.99683	0.4
69.03323	1.3
69.99173	0.4
71.01256	55.1
71.54767	0.3
72.01598	0.9
72.40801	0.4
72.99184	3.1
73.02821	28.0
74.03147	0.5
75.00751	1.4
75.01141	0.4
81.03325	0.5
83.01262	13.4
84.01616	0.6
85.02826	29.8
85.99966	2.0
87.00749	3.1
89.02321	9.1
95.01270	4.0
97.02818	2.4
99.00760	10.5
99.01414	0.4
99.04419	0.4
99.08063	0.9
101.02325	59.2
101.09593	0.5
102.02675	1.4
109.02872	0.5
111.00773	1.5
113.02336	21.6
115.03896	1.3
119.03406	0.8
121.53867	0.4
125.02332	3.1
129.01833	1.9
131.03409	1.9
137.02458	0.5
141.01820	0.4
143.03355	1.9
145.08562	0.4
149.02327	0.5
149.04457	0.8
151.03915	0.5
159.02893	3.4
161.04468	19.2
162.04768	0.7
171.10258	0.6
205.03450	1.1
233.06595	1.9
263.14987	100.0
264.15350	7.7
289.07178	1.4
300.01437	0.5
307.14023	0.8
335.20612	1.0
345.94403	0.4
354.61002	0.4
395.19211	46.8
396.19592	6.3
409.30618	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34143	0.3
52.47068	0.3
52.83780	0.4
55.01755	4.9
57.03329	4.1
57.77364	0.3
58.00470	1.8
59.01249	36.5
59.71712	0.3
60.01578	0.5
61.98706	0.6
64.18015	0.3
67.01745	0.3
69.03325	1.4
71.01253	51.2
71.24351	0.8
72.01604	0.8
72.99189	3.3
73.02818	25.0
74.03163	0.6
75.00743	1.5
81.03347	0.5
82.08678	0.3
83.01258	18.8
84.02052	0.5
85.02823	32.1
85.06480	0.4
85.99971	1.4
86.03165	0.9
87.00754	2.6
87.08022	0.8
88.33328	0.4
89.02318	5.9
95.01272	3.3
97.02818	1.8
99.00757	8.7
101.02322	62.9
102.02660	1.2
103.03899	2.2
111.00793	1.9
112.60928	0.3
113.02333	22.6
114.02659	0.7
119.03355	1.7
125.02341	2.4
127.03886	0.6
129.01837	1.4
131.07036	0.5
141.01759	0.4
143.03381	2.8
145.02908	0.7
145.04990	1.1
157.08598	0.6
159.02904	4.2
161.04466	20.7
162.04749	0.8
163.06052	1.1
205.03464	1.6
229.07079	0.8
231.12360	0.5
232.21791	0.3
247.08165	0.9
249.13402	100.0
250.13724	7.4
261.11044	0.3
263.15036	0.9
293.12457	1.4
371.07449	0.4
395.19205	29.1
396.19379	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	395.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22931	0.5
57.21712	0.5
59.01254	2.8
63.85967	0.5
71.01241	1.0
71.54071	0.6
78.95792	1.0
79.73962	0.5
82.42928	0.5
89.02294	0.5
90.15589	0.6
90.63755	0.5
102.86327	0.4
117.01842	0.7
135.02888	1.2
152.99455	1.3
155.31686	0.5
162.25404	0.6
177.29985	0.5
277.21729	100.0
278.22073	12.9
395.24249	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	397.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.4
55.64769	2.0
57.03311	3.9
58.00467	4.5
59.01254	100.0
62.82706	1.9
65.22607	1.7
68.95007	1.6
69.03319	5.8
71.01257	87.8
72.99181	7.0
73.02820	18.5
81.03340	3.9
83.01261	9.3
85.02821	17.6
85.99961	1.7
87.00751	18.6
89.02322	76.3
91.03901	1.7
95.01283	5.8
97.02840	19.2
99.00764	7.9
99.01372	1.6
101.02328	69.4
111.04403	5.8
112.01556	1.7
113.02335	29.2
115.03875	4.8
119.03393	26.7
121.02892	2.4
125.02339	26.6
131.03358	2.9
133.04967	5.1
139.03920	2.3
141.01912	2.2
143.03413	9.5
161.04451	15.4
179.05583	6.4
217.07140	2.4
221.06583	4.5
235.08203	26.3
245.06764	2.4
263.07596	2.4
287.07797	2.6
305.08618	2.5
381.89340	1.9
397.13525	71.2
397.25391	2.7
398.13831	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	397.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84556	0.4
59.01252	100.0
60.01589	1.3
62.71994	0.4
65.91018	0.4
69.31073	3.4
71.01270	1.2
80.65772	0.4
85.02842	0.5
89.02305	0.6
90.15403	0.4
96.95888	0.6
113.02284	0.5
121.67942	0.4
128.44136	0.5
133.06494	17.5
134.06870	1.4
136.94835	0.5
179.07195	0.4
286.71729	0.5
361.53616	0.5
402.97144	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69444	0.4
53.39808	0.3
57.03322	0.3
59.01239	2.2
63.84177	0.3
69.44894	2.4
71.01254	2.7
72.99181	0.4
73.02826	1.2
83.01303	0.5
85.02813	1.8
89.02303	0.5
95.01302	0.4
100.78390	0.4
101.02321	3.2
104.48991	0.4
113.02326	1.3
117.03349	25.6
118.03688	1.3
119.04927	5.5
120.05239	0.5
123.04414	1.1
145.02858	100.0
146.03203	6.1
147.45409	0.3
153.05473	1.0
163.03925	8.0
164.04208	0.5
177.80246	0.4
254.10074	0.4
397.15027	46.3
398.15393	6.4
420.76828	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2595
Annotation	Ligantrol monoacetate
Peak:m/z	Relative Intensity
50.70380	0.7
51.62450	0.7
52.03163	0.8
57.03328	9.8
57.17662	0.8
59.01245	3.4
67.95474	0.8
69.67822	2.8
69.68234	1.5
83.04893	0.9
88.00021	0.7
89.02272	1.0
94.58865	0.7
95.01186	0.9
96.95901	1.0
97.99983	8.5
98.19765	0.8
101.02303	1.0
102.05518	0.8
107.04903	1.4
111.28184	0.7
121.06499	5.0
134.45341	0.9
135.08084	1.2
141.22554	0.9
143.02507	0.8
155.44322	0.7
167.92719	0.7
213.24866	0.8
273.22342	0.9
275.23795	4.5
287.23859	0.8
289.25375	47.8
290.25714	6.0
291.26907	20.1
292.27289	2.9
307.26563	0.9
309.27975	4.2
335.25922	100.0
336.26212	12.2
353.26782	1.4
379.24893	93.7
380.25269	12.3
397.25940	54.5
398.26193	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44788	0.3
55.01758	0.5
57.03313	1.2
59.01252	4.8
67.21354	0.3
67.61665	0.3
71.01258	4.2
72.99172	0.9
73.02810	1.5
75.00741	0.5
76.81148	0.3
83.01266	1.2
85.02825	4.5
87.00729	0.8
89.02340	0.6
90.08466	0.4
99.00745	0.9
101.02319	2.9
105.03331	0.4
109.02902	0.5
113.02329	1.6
117.03378	0.7
123.04359	0.5
132.02061	2.4
133.02855	32.7
134.03326	0.6
135.04425	6.9
135.08034	0.4
136.04723	0.4
137.02348	2.9
145.02750	0.4
161.02353	100.0
162.02701	5.2
179.03430	2.9
188.60606	0.3
191.01921	0.5
199.79330	0.4
316.60849	0.4
324.58926	0.4
399.12933	55.8
400.13318	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	399.1296
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
53.23004	0.4
55.01753	0.9
57.03323	1.2
58.00453	0.8
59.01254	14.6
66.23306	0.5
71.01256	16.0
71.53941	0.5
72.99187	1.7
73.02811	5.1
75.00755	1.0
83.01276	2.9
85.02827	8.6
87.00759	1.8
89.02331	4.7
93.03355	0.9
95.01296	1.6
97.02854	0.7
99.00779	2.0
101.02328	15.4
105.03315	0.8
111.00762	1.0
113.02337	7.4
115.03904	0.6
117.03415	0.7
119.03387	1.1
121.02871	2.3
123.04411	0.8
125.02354	0.6
129.01843	0.9
132.02078	16.1
133.02869	6.1
134.03639	14.4
137.02335	3.6
139.03923	1.3
143.03409	0.7
147.04416	0.6
149.05983	2.0
153.01758	0.6
159.02907	1.4
160.01576	82.5
161.02345	7.7
161.04457	6.4
175.03929	100.0
176.04233	5.7
177.01855	1.4
177.05534	0.9
178.02631	1.1
179.03430	1.8
191.01872	0.6
193.05002	17.7
194.05359	1.0
223.08138	1.1
243.06540	0.6
251.11354	19.2
252.11739	1.0
384.10736	1.4
399.12949	76.4
400.13290	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	399.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.6
69.53180	1.1
71.01254	0.3
73.02778	0.2
81.03341	0.2
85.38125	0.2
93.03342	0.3
95.04890	0.9
99.10609	0.1
101.05957	0.9
108.02065	0.2
121.02862	0.4
122.03622	1.0
123.04411	73.6
124.04742	3.7
153.05481	100.0
154.05814	4.9
161.85617	0.2
186.76842	0.2
345.43369	0.2
362.71701	0.2
399.16602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64843	0.1
59.01260	0.8
63.56151	0.1
69.53675	0.9
71.01270	0.2
73.02836	0.2
75.39221	0.1
80.08680	0.1
81.03371	0.1
86.12686	0.1
93.03345	0.3
95.01242	0.2
95.04926	0.9
101.02340	0.2
101.05967	0.7
106.60487	0.1
108.02077	0.2
115.00272	0.1
121.02846	0.3
122.03631	0.7
123.04412	74.9
124.04746	3.4
125.02402	0.2
130.86832	0.1
153.05486	100.0
154.05814	4.8
163.07556	0.2
181.31410	0.2
226.96690	0.2
355.11633	0.2
391.34555	0.1
399.11737	0.2
399.16241	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97461	0.6
53.69172	0.6
69.37617	0.7
71.01276	0.7
71.54056	0.6
76.12959	0.6
86.71735	0.7
99.92463	1.1
107.04916	1.4
112.05942	0.6
115.91949	0.7
131.08546	1.6
134.99239	0.7
135.04413	44.3
136.04750	1.6
145.40199	0.8
151.16542	0.6
159.04446	1.0
160.05151	1.2
163.87682	0.6
166.31447	0.6
171.08022	1.5
174.06781	14.2
175.07510	3.5
175.18411	0.7
188.08319	0.7
189.09113	4.4
199.08760	0.8
257.15338	0.8
258.16241	100.0
259.16571	9.5
273.15582	1.3
273.18607	34.0
274.18958	2.8
317.17575	35.2
318.17819	3.4
331.02765	2.1
358.16339	2.3
399.16681	2.8
399.25342	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.2
59.01252	8.4
68.99690	2.3
71.01247	16.3
72.99187	1.5
73.02819	10.6
83.01245	1.6
85.02826	8.0
87.00753	81.8
88.01053	1.3
89.02316	8.9
92.69384	1.3
95.01294	1.2
97.02823	2.7
101.02351	7.1
111.00747	1.8
113.02323	5.1
119.03370	2.1
121.02801	1.5
123.00787	2.4
125.02409	1.6
129.01811	1.2
131.03384	2.8
138.03101	2.5
149.02374	4.3
151.00275	6.1
153.05461	2.3
161.02313	6.7
161.04298	1.4
163.03941	10.3
164.04730	13.8
165.05479	6.3
166.02638	17.7
166.44733	1.1
173.02364	1.9
175.03857	2.2
176.04755	6.8
177.01839	5.2
178.02649	1.3
178.06244	7.3
179.03447	13.8
179.05612	1.9
179.07054	38.3
180.07350	2.4
181.05019	16.3
187.04042	1.9
189.01662	1.4
190.02679	2.2
191.03433	11.2
191.05029	1.5
191.07086	4.6
192.04143	2.8
193.05031	6.7
194.05736	10.3
203.03461	4.5
204.04149	3.9
205.05070	6.2
206.05803	4.1
207.02893	1.9
207.06451	3.3
209.08136	15.6
218.05800	2.0
219.02925	4.5
219.06596	1.7
221.04474	2.0
221.08182	5.0
222.05284	2.2
231.03000	2.6
234.05299	4.3
235.05986	1.9
237.07610	6.1
238.04723	1.7
246.05264	2.2
247.02548	2.7
247.06082	3.1
248.07057	1.2
249.07590	5.9
250.04810	3.1
251.59085	1.3
261.07602	3.1
262.04846	6.9
265.07178	67.4
266.07523	5.8
277.07166	12.2
278.07556	1.3
279.08807	1.6
281.08969	1.3
295.08215	29.5
296.08481	3.1
325.09290	11.5
337.09351	1.3
341.10934	9.6
355.10181	8.6
383.09708	2.5
397.73700	1.2
401.10889	100.0
402.11237	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	401.1455
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01764	7.3
57.03321	4.9
58.00469	2.2
59.01253	42.3
60.01589	0.8
60.99334	0.7
69.03325	3.1
69.09856	0.7
69.45211	1.6
69.45605	2.6
71.01258	100.0
72.01598	1.6
72.99183	3.1
73.02821	46.1
75.00746	3.7
76.66210	0.7
81.03349	0.8
83.01260	15.6
85.02829	49.6
86.03172	1.4
87.00751	4.2
89.02321	18.6
95.01284	6.4
97.02831	6.6
98.20583	1.5
99.00761	21.5
99.04382	1.0
101.02326	77.6
102.02694	2.2
111.00777	1.9
113.02332	38.2
115.03899	4.2
119.03426	1.2
125.02344	9.0
131.03394	3.3
137.02303	0.8
143.03400	5.0
149.04451	1.9
157.16257	0.8
159.02914	8.1
161.04472	45.0
162.04820	1.9
165.01822	1.4
179.03412	1.0
180.04144	1.8
191.05547	1.3
195.06554	2.0
205.03471	1.2
233.06639	6.8
269.10312	71.3
270.07901	1.0
270.10614	5.3
275.06616	0.8
293.08755	3.2
401.14526	62.0
402.14926	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	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.6
59.01256	2.4
69.57243	1.5
71.01259	2.4
73.02824	4.8
75.00754	0.8
85.02835	1.6
87.00751	0.5
87.04444	0.3
87.96349	0.2
89.02323	0.9
93.03355	1.1
95.01310	0.3
95.04910	1.1
97.02865	0.3
101.02339	0.8
103.03893	4.6
104.98180	0.3
105.01793	0.3
108.01985	0.3
109.02847	0.6
113.02321	0.4
119.03390	0.3
119.04927	0.6
121.02859	1.8
122.03611	1.1
123.04415	78.4
124.04738	2.8
125.02382	0.3
133.02856	0.5
135.04483	0.3
137.02373	2.2
139.03925	0.4
145.02888	0.7
149.02422	0.4
151.03915	0.8
152.04681	1.2
153.05486	100.0
154.05817	4.6
158.53673	0.3
161.04312	0.3
163.03864	0.6
164.01068	0.3
164.03342	0.3
165.01816	1.2
167.03320	0.3
191.05589	0.6
195.05011	0.4
195.06578	1.7
219.06577	0.4
223.06236	0.3
297.09799	5.2
298.10074	0.4
315.10794	1.5
371.13544	1.3
401.14624	2.4
401.18713	0.6
402.14081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69649	1.2
55.01760	2.5
57.03313	2.9
58.00465	3.5
59.01252	80.1
60.01610	2.3
64.38711	1.2
69.03341	8.3
69.33204	1.3
70.87336	2.8
71.01255	99.7
72.01596	2.1
72.99171	6.7
73.02824	17.4
75.00741	5.3
76.99697	1.2
79.95612	1.3
81.03330	4.0
83.01251	9.0
83.36713	1.2
85.02354	1.6
85.02831	21.3
87.00758	5.0
89.02317	100.0
93.03352	2.2
95.01261	4.4
96.95866	1.4
97.02843	16.8
99.00159	1.8
99.00766	21.9
99.04375	1.8
101.02330	22.3
103.03915	1.7
107.04914	60.9
108.05241	2.3
109.02856	1.6
111.00726	3.7
113.02329	15.2
115.03921	8.3
119.03378	4.4
121.02847	2.1
123.00799	1.8
123.04391	3.1
125.02341	51.0
127.03933	2.4
127.25446	1.5
131.03406	12.4
133.02844	2.6
137.02304	2.9
143.03375	4.8
149.02426	1.7
149.04463	16.2
151.03859	2.2
153.05446	1.6
161.02338	4.7
161.04501	6.4
162.02657	2.5
163.02798	1.6
173.04570	2.6
177.01825	5.2
177.12720	1.4
179.03476	2.3
179.10718	2.6
191.05536	10.6
196.13660	1.3
203.10649	1.4
210.99117	1.4
221.11765	2.9
233.04398	2.6
233.06618	37.1
234.06984	2.5
245.19635	1.5
293.08804	37.6
294.09100	3.4
401.12900	9.4
401.18155	35.8
402.18579	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	401.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	5.9
57.03326	7.0
58.00462	2.7
59.01252	64.5
69.03316	2.9
71.01255	100.0
71.53587	0.8
72.01571	1.8
72.99188	5.6
73.02823	27.2
75.00755	1.0
81.03333	2.3
82.90527	0.8
83.01257	16.5
85.02824	39.5
85.99954	0.8
87.00761	5.0
89.02319	48.3
90.02647	0.8
93.03313	0.8
95.01273	4.5
97.02844	5.0
99.00762	10.2
99.04430	0.7
101.02325	72.3
102.02693	1.8
109.02884	1.1
111.00761	13.3
111.04431	0.8
113.02333	30.0
115.03877	3.0
119.03397	2.6
123.04442	1.5
125.02334	8.4
129.01849	2.0
131.03400	24.8
132.03780	1.1
137.02319	3.0
139.03917	1.3
143.03415	5.6
149.04488	9.7
151.03914	1.3
153.01801	1.0
153.05499	1.6
159.02885	5.3
161.04468	33.7
177.01909	1.1
177.09137	2.1
182.05739	2.0
191.05550	3.4
197.08092	2.6
205.03470	2.9
215.05539	1.3
221.11777	0.9
233.06624	8.8
251.09244	1.8
269.10315	54.9
270.10849	4.4
291.07889	0.9
293.08798	2.1
401.14526	46.3
402.14960	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	401.1818
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
50.24704	0.3
55.01752	1.5
57.03325	3.1
58.00485	0.9
59.01257	22.2
59.64202	0.4
60.01577	0.6
60.68384	0.4
70.30243	0.8
70.30584	0.6
71.01254	19.1
72.99181	1.6
73.02822	4.6
75.00751	0.9
83.01261	3.8
85.02827	9.1
85.99953	0.4
87.00750	1.7
89.02319	8.9
93.03347	1.1
95.01248	1.6
97.02873	0.4
99.00751	2.2
101.02326	13.8
103.03899	1.8
111.00780	0.7
113.02327	6.9
119.03399	3.3
123.04392	0.7
123.08049	2.3
125.02317	1.0
135.04440	0.4
137.02347	1.2
151.11186	0.6
153.01836	0.6
161.02299	0.7
161.04463	1.4
167.03381	0.5
169.36674	0.4
177.12756	3.6
179.06967	0.5
181.04964	0.8
182.05692	0.7
191.05598	2.1
195.06624	0.5
195.13805	2.2
197.08122	1.2
202.50670	0.4
221.11772	4.0
242.28983	0.5
250.74875	0.5
277.68512	0.4
307.95309	0.5
401.18182	100.0
402.13019	0.7
402.18500	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	401.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.1
57.03315	1.6
58.00468	3.1
59.01252	54.2
60.01625	0.5
60.99426	0.4
61.05124	0.5
69.53896	2.4
71.01255	33.8
72.01595	0.6
72.99174	4.4
73.02815	2.1
83.01273	2.6
85.02829	8.1
87.00757	2.3
89.02315	30.2
95.01259	3.5
97.02871	0.7
98.21684	0.5
99.00719	1.1
101.02327	20.2
102.02696	0.8
111.00735	0.6
113.01631	0.4
113.02337	13.1
119.03397	12.5
121.02850	76.6
122.03167	3.5
125.02338	1.1
131.03413	0.8
132.75989	0.6
137.02359	1.0
143.03412	0.7
149.02448	0.7
150.03166	0.5
153.01862	1.0
161.04492	1.6
167.10707	0.8
177.16405	0.9
179.05544	1.6
180.05777	1.2
181.06551	4.8
199.13252	0.7
209.04475	0.9
213.84079	0.6
221.15430	11.0
222.15857	1.0
225.05528	4.7
226.05913	0.7
239.16553	2.5
279.23416	0.7
285.91574	0.6
294.32532	0.5
302.11703	0.5
303.08670	0.5
309.24744	0.8
313.07172	23.4
314.07593	3.2
341.26993	2.3
357.06183	7.8
357.13272	1.1
358.06522	0.6
373.29532	6.6
374.30051	1.0
401.08795	21.9
401.21756	100.0
402.09000	2.4
402.22067	13.3
402.27008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29479	0.5
56.95888	0.5
59.01236	2.2
61.98706	29.1
66.98947	0.4
71.09280	0.9
107.04914	1.2
118.03322	0.5
121.02824	0.7
131.08580	0.6
135.04417	47.0
136.04770	2.0
143.46671	0.5
160.05243	1.3
171.08069	1.5
174.06786	15.8
175.07475	3.4
189.09169	4.0
204.00548	0.6
205.97334	0.5
215.07069	0.6
258.16245	100.0
259.16574	10.2
273.18613	35.4
274.18903	4.0
299.16431	2.5
304.50372	0.5
314.55533	0.5
317.17596	35.9
318.17896	4.2
358.16129	0.9
371.64014	0.5
384.14178	1.3
402.15320	12.0
403.15509	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	403.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	5.9
61.77222	1.7
67.01759	4.5
70.03997	4.5
70.04387	4.0
71.01256	4.1
72.99181	29.0
75.73299	1.7
78.95780	3.3
81.03339	2.1
85.02824	11.6
87.00745	8.0
89.02324	3.0
93.03336	33.5
98.19909	2.8
99.00692	1.8
101.85477	1.7
101.89288	1.8
109.02795	3.3
111.04395	8.0
113.02306	2.1
121.02860	3.7
123.00749	2.7
123.04383	2.4
124.01563	3.1
136.01537	4.6
137.02348	50.8
139.03897	4.8
145.83487	1.9
149.02370	9.1
165.01630	2.1
167.03384	5.9
173.04465	50.4
174.04788	3.0
181.08522	2.1
191.05554	100.0
192.05835	3.9
193.01346	8.4
211.02411	4.5
236.31839	2.5
247.04539	16.3
298.35489	2.0
385.07776	2.8
403.08316	3.9
403.13007	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	403.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67667	1.0
57.11144	1.1
58.00459	1.6
59.01250	30.5
61.98707	2.0
66.06772	0.9
71.01254	23.2
71.24458	1.8
72.99178	3.8
73.02825	1.5
75.00751	1.2
81.03445	0.9
81.93003	1.1
83.01257	4.2
85.02804	4.8
85.90907	0.9
87.00761	3.3
89.02325	16.3
92.28630	1.0
93.03310	1.5
95.01263	6.0
99.00713	1.2
101.02316	11.5
109.02829	1.6
110.32159	0.9
111.00781	5.5
113.02333	7.4
119.03384	4.7
121.02839	1.6
123.00779	18.6
124.68996	1.0
125.02327	6.0
127.00255	4.7
136.98705	3.7
137.02370	8.6
138.03139	12.8
139.00269	16.8
149.02335	1.5
151.00230	1.9
152.04655	2.0
153.01814	1.9
153.05469	4.6
154.02654	1.8
165.01860	16.8
178.02644	1.4
179.03392	2.5
180.04210	8.6
181.04694	1.2
191.05586	2.4
193.01366	36.5
194.01711	3.3
195.06570	2.5
207.02928	3.0
208.03714	72.9
209.04036	5.9
217.62454	1.1
223.06071	100.0
224.06400	6.5
335.43982	1.2
353.46567	1.1
403.12531	5.1
404.12958	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	403.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91963	1.6
54.71803	1.6
59.01254	24.7
59.68259	1.5
64.52834	1.5
65.15318	1.6
66.20249	1.7
70.55111	4.8
71.01258	9.9
72.76881	1.5
72.99174	2.7
83.01278	2.7
85.02840	3.2
87.00780	2.1
89.02323	11.6
95.01250	1.9
101.02332	10.7
111.00776	4.4
113.02319	4.7
119.03390	6.8
123.00798	11.8
125.02337	10.8
127.00263	2.1
137.02345	5.2
138.03114	6.4
139.00304	8.8
153.05470	2.7
154.02586	1.9
157.46448	1.6
159.02985	2.1
165.01840	8.4
168.36029	1.6
173.04588	1.6
173.28534	1.6
173.84956	1.6
180.04254	2.2
191.05556	2.4
193.01349	21.9
208.03734	36.8
209.04193	2.3
223.06082	100.0
224.06424	5.2
333.74670	2.1
353.47971	1.7
403.12347	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	403.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89755	0.8
59.01252	100.0
61.98702	1.6
64.22340	1.0
69.79126	2.4
69.79522	1.7
71.01257	6.5
72.99170	1.2
82.21815	0.9
85.02829	2.7
89.02331	1.3
101.02311	2.5
102.01868	0.9
105.02385	1.1
111.33710	1.0
113.02324	1.7
121.02757	1.1
122.03597	2.1
123.04443	1.0
128.03419	1.7
137.05988	1.2
143.04504	2.6
156.76013	1.0
161.04474	4.9
166.06271	15.3
167.03351	3.7
181.08626	32.6
181.10228	1.6
182.08971	2.0
191.05484	1.7
254.07776	1.1
272.04059	0.9
272.08862	1.7
306.07632	4.1
307.88150	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72112	0.5
56.12265	0.6
57.15070	0.5
59.01254	27.8
61.98702	9.9
67.68867	0.7
84.52744	0.7
89.24799	0.6
92.87960	0.6
96.76716	0.6
98.19765	1.6
107.04802	0.6
108.02040	4.8
110.48096	0.7
121.02834	0.7
122.03638	1.4
123.04425	0.9
134.03668	3.4
135.00772	5.0
136.01573	7.7
149.69742	0.6
150.03136	19.6
151.03850	2.6
163.00281	10.5
163.03929	7.8
165.05473	0.8
177.01846	1.0
178.02649	19.8
178.06271	7.7
193.04996	100.0
193.08629	5.5
194.05333	5.8
208.07312	8.0
229.04904	0.7
255.06554	0.8
259.09723	0.8
274.48254	0.6
285.07718	0.7
287.09299	12.5
311.09393	0.7
313.10876	7.1
314.11188	0.8
328.13168	8.6
329.10321	25.3
329.14099	1.4
330.10709	3.0
343.11920	0.7
343.15656	4.6
344.12637	33.7
345.12924	4.6
355.11813	0.7
359.14999	16.7
360.15298	3.0
370.14240	0.8
373.12701	1.2
385.16620	1.1
388.15295	10.6
389.15533	1.6
403.17609	15.0
404.17932	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	403.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00985	1.0
59.01252	9.2
61.98418	1.2
61.98709	16.3
71.01255	2.2
71.50719	0.7
78.03369	0.8
89.02316	1.3
96.95872	0.9
97.77972	0.8
98.20676	1.6
101.02316	1.2
124.70196	0.7
135.07390	0.7
150.03166	1.1
155.04965	1.1
163.03929	7.0
163.09929	0.9
164.83208	1.0
166.02576	1.0
171.04456	0.8
178.06297	4.6
193.05014	5.1
193.08614	1.1
198.03214	1.4
199.02115	1.3
199.03958	19.8
200.04282	2.3
211.03894	1.4
213.05522	6.0
214.06194	2.9
215.07039	0.9
227.03435	16.2
227.05463	1.5
228.03723	2.3
241.05025	3.0
241.18076	4.1
242.05809	10.4
243.06174	1.0
255.02991	7.6
257.08276	8.9
258.08612	1.0
270.05344	22.6
271.05630	2.1
285.07693	100.0
286.08069	9.9
300.10049	55.8
301.10327	5.9
315.12418	35.1
316.12659	5.8
402.54123	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43169	3.9
51.94014	4.2
56.09654	4.8
57.03348	4.6
57.55713	3.6
59.01257	82.6
61.98709	11.1
69.76300	4.0
69.76609	21.7
71.01263	74.3
72.99203	4.7
73.35272	3.5
83.01302	4.2
85.02828	20.5
87.00772	12.2
89.02332	98.6
101.02333	34.3
102.06306	5.2
113.02343	26.3
114.32747	3.7
115.60282	3.7
116.55207	4.7
116.69743	4.0
119.03406	44.3
131.03447	5.2
139.92940	4.3
140.01122	5.9
149.02380	19.0
149.04280	4.9
163.24750	4.1
168.00565	5.4
177.01874	100.0
179.03441	6.5
179.05540	12.5
180.04158	5.3
183.02953	7.5
191.01958	4.4
192.04248	62.2
195.02921	5.6
195.06639	14.5
207.06619	19.0
209.02904	4.0
210.05334	7.4
225.07651	18.6
267.89972	4.7
329.35260	4.2
387.13043	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	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	9.7
57.53070	0.4
59.01252	100.0
60.01588	1.3
69.30111	3.7
71.01262	7.3
72.99167	0.6
73.02831	1.5
75.00744	1.1
79.25357	0.4
83.01279	0.8
85.02831	3.0
86.58865	0.5
87.00748	0.7
89.02322	4.1
95.01292	0.6
98.24269	0.4
99.00780	0.4
101.02333	4.3
109.02818	0.6
113.02327	3.5
119.03405	1.8
123.00753	1.0
123.04508	0.8
123.08064	1.1
123.90822	0.5
125.02337	0.5
135.37666	0.4
136.87190	0.5
139.11208	1.1
143.03415	0.7
161.04518	2.3
179.05592	1.6
183.10193	40.2
184.10583	2.0
207.10287	0.8
213.14957	0.8
221.06613	0.6
225.11250	0.6
239.38458	0.5
243.16063	0.9
250.98669	0.5
273.08896	0.9
286.63586	0.4
299.10428	0.6
329.11404	4.0
329.14380	0.4
345.15674	1.0
405.12762	0.5
405.25568	2.6
406.25568	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2127
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01750	2.3
57.03310	2.1
58.00455	1.6
59.01253	51.6
61.98694	1.0
70.75426	0.6
71.01257	29.8
72.01592	0.8
72.99191	4.5
73.02436	1.2
73.02817	12.5
74.02344	0.7
75.00762	1.0
81.03322	1.8
82.30166	0.5
83.01254	4.2
85.02824	10.6
85.06471	2.9
87.00745	2.3
87.55235	0.7
89.02319	16.2
95.01250	2.7
97.06482	0.7
99.00757	3.9
101.02323	20.7
113.02320	9.7
119.03400	7.2
122.31242	0.6
123.04460	0.8
125.02335	1.9
131.03462	0.9
143.03421	1.0
149.18166	0.7
151.00279	2.1
153.12622	0.8
155.14319	7.0
161.04465	6.1
165.12839	0.9
179.05524	1.0
181.12274	1.0
181.15903	4.4
199.07535	1.9
199.13348	14.9
200.13713	1.3
201.14813	0.9
210.05309	0.7
221.06779	1.1
225.05522	0.8
225.14897	7.1
226.15436	0.6
243.06599	12.6
244.06834	0.9
255.02974	0.7
336.16739	0.7
345.19150	8.7
346.19498	0.9
387.20139	1.3
405.21283	100.0
406.21567	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	405.213
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01770	1.3
57.03324	4.7
57.24704	0.5
58.00475	3.4
59.01253	100.0
60.01569	0.7
71.01257	69.3
71.54045	0.9
72.01590	1.1
72.99182	5.8
73.02818	4.9
75.00742	0.9
83.01264	3.2
85.02824	13.3
87.00764	5.2
89.02320	74.5
90.02672	1.2
95.01276	4.0
99.00789	1.6
101.02328	39.3
102.02712	1.6
113.01543	0.9
113.01678	0.6
113.02335	28.2
119.03394	33.7
125.05970	1.0
131.03415	3.2
139.99303	0.9
143.03395	5.5
149.04494	3.0
155.01643	1.0
159.02927	1.6
161.04482	12.8
163.11177	0.7
167.10728	1.0
177.77051	0.7
179.05563	10.5
183.10243	4.4
183.48570	0.8
238.49033	0.7
243.16089	2.7
271.08463	0.8
405.21359	19.7
406.21811	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	405.2132
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01743	1.6
57.03326	14.1
58.00465	3.5
59.01252	100.0
60.01591	0.8
69.44017	4.7
71.01255	70.4
72.01583	1.2
72.99183	7.4
73.02817	4.3
74.02337	1.2
75.00763	0.8
83.01264	3.5
83.04881	1.3
85.02825	13.8
86.03172	0.9
87.00713	3.3
89.02319	66.2
90.02657	1.0
95.01244	3.5
96.54362	0.7
98.03624	0.7
99.00771	0.9
99.05527	1.5
101.02327	38.7
102.02678	1.1
106.80046	0.7
113.02329	24.4
119.03396	27.4
119.04250	1.5
123.08059	2.4
125.02353	1.1
125.05976	3.2
128.03409	2.6
131.03392	2.2
134.07263	0.8
140.08582	0.7
143.02379	0.7
143.03412	3.8
143.04527	2.8
149.04474	2.3
149.09637	3.0
159.02905	1.5
161.04460	11.3
167.10695	9.1
179.05618	6.9
215.99757	0.7
243.16013	7.7
266.10068	0.8
272.08887	1.4
307.07898	1.3
377.02515	0.8
400.77924	0.8
405.21307	29.8
406.16833	1.0
406.21359	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	405.2131
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01751	1.9
55.88578	0.9
57.03318	13.6
58.00473	4.3
59.01250	100.0
60.01583	1.7
63.37025	0.8
70.07787	3.6
71.01252	74.4
72.01573	1.2
72.44620	0.8
72.99181	6.6
73.02806	5.6
74.02352	1.0
83.01270	3.4
85.02814	18.0
87.00741	4.7
89.02316	80.0
90.02670	1.1
95.01287	5.0
99.00773	1.4
99.05498	1.6
99.66015	1.0
101.02322	43.4
102.02693	1.4
113.01535	0.8
113.02329	30.4
119.03385	35.1
122.03625	1.0
123.08006	2.3
125.02346	1.1
125.05959	2.5
128.03413	3.1
129.03772	0.8
131.03380	3.0
141.06595	1.1
143.03397	4.9
143.04538	3.8
144.04834	1.4
149.04443	2.2
149.09625	4.0
161.04457	14.9
167.10683	10.3
179.05582	8.2
185.08533	0.8
198.47314	0.9
243.15993	11.3
244.16246	1.0
254.07887	1.3
255.08055	1.2
272.08795	1.5
307.07837	3.3
333.14890	1.0
345.31641	0.9
405.21286	36.9
406.21686	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	407.0774
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
57.03315	1.2
58.00481	0.5
59.01252	8.0
61.98708	0.8
69.44817	2.4
69.45225	1.3
71.01254	4.5
73.02809	1.2
75.00755	1.5
83.01257	0.9
85.02825	1.9
87.00758	0.7
89.02328	2.9
93.03324	2.5
99.00742	0.5
101.02328	3.4
101.05962	0.6
103.05399	0.9
108.02018	0.6
109.02851	4.5
113.02333	2.2
119.03371	1.0
121.02871	0.7
121.89163	0.5
123.04411	5.1
125.02323	5.8
131.03392	0.6
137.02364	4.6
141.07024	0.9
145.02858	1.1
146.11433	0.5
149.02368	2.7
149.04492	0.7
150.03091	1.6
151.03931	2.3
159.04456	0.6
161.04454	1.2
165.05489	1.6
171.04420	0.7
174.03079	0.7
175.03914	1.7
180.04201	0.6
191.05600	0.8
195.06610	1.4
199.03902	3.7
211.03813	1.4
213.05511	4.7
214.02576	2.6
225.05508	1.0
227.03442	14.3
228.04187	7.2
229.04834	0.6
241.05069	0.6
242.02155	1.9
243.02956	14.3
244.03265	1.1
253.05038	0.9
255.02969	59.2
256.03674	22.3
257.04480	11.7
258.04965	0.7
269.04550	5.6
270.05042	0.5
275.15036	2.1
281.04495	1.0
282.01648	2.9
283.02487	7.8
284.03146	2.2
285.04031	13.4
285.07166	0.8
286.04410	1.5
288.02625	0.6
297.04025	5.5
298.04498	0.7
299.05377	0.6
344.12616	0.6
359.15143	1.2
377.25522	0.8
389.06625	2.0
390.07159	0.5
407.07706	100.0
407.26715	2.8
408.08084	15.2
408.13431	1.0
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
55.01772	1.4
57.03336	5.5
59.01253	100.0
61.98704	2.1
71.01256	31.4
71.53999	1.3
72.99162	2.0
73.02824	6.0
78.64258	1.0
80.46187	1.0
83.01259	4.2
85.02830	9.5
87.00750	3.4
87.04359	1.0
89.02327	24.2
93.03327	2.2
95.01238	2.5
99.00761	3.0
101.02328	24.6
112.44935	1.1
113.02325	13.2
119.03383	9.1
121.02782	1.1
123.04433	1.2
125.02341	34.3
126.02639	1.3
131.03334	1.4
137.02333	3.1
139.03857	1.1
143.03357	3.1
149.02325	2.9
150.03096	2.5
151.03883	1.2
159.02834	1.8
161.04475	21.7
165.01807	1.7
165.05424	1.2
179.03349	1.2
179.05588	7.4
185.11749	8.9
195.06601	1.2
225.07616	1.1
227.03333	1.2
228.04221	1.1
239.05484	1.5
240.99347	1.1
255.02936	3.9
256.03781	2.3
281.06638	1.4
283.71411	1.1
287.10327	1.5
347.17105	22.8
348.17358	3.1
365.18134	1.5
389.18704	1.0
390.61133	1.2
407.07849	8.5
407.13538	2.0
407.19086	18.0
407.26593	2.1
408.19470	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.5
57.03338	0.8
58.99474	5.1
59.01254	100.0
60.01586	1.1
61.98707	1.4
66.24058	0.5
69.56532	3.2
71.01254	9.8
72.99200	1.2
73.02814	3.0
75.00761	0.8
83.01273	2.3
85.02824	3.8
87.00774	0.7
89.02321	3.2
93.03393	0.7
95.01273	0.6
95.93363	0.6
98.07516	0.6
99.00761	1.4
99.68794	0.5
101.02325	7.0
102.98506	0.8
104.98267	0.7
111.00789	0.6
111.19276	0.6
113.02357	3.4
116.90186	0.5
117.03381	0.6
119.03384	1.5
125.02360	2.0
128.39079	0.5
136.11589	0.5
137.02339	1.0
145.02917	0.7
159.02911	0.8
161.04480	2.9
179.05559	0.7
179.39761	0.5
184.94022	0.9
185.11723	0.6
193.05020	0.6
203.12904	0.7
233.08437	0.5
237.37367	0.5
255.03091	0.7
255.37526	0.6
261.13434	0.7
275.15063	1.2
281.06769	1.0
347.17126	16.5
348.17505	1.7
365.18088	5.1
366.18506	0.6
407.07770	1.1
407.19162	7.7
407.26666	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	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	5.5
59.01251	100.0
61.98703	2.2
69.91064	1.3
71.01253	26.6
71.54085	2.8
72.99174	2.6
73.02824	8.0
75.00743	9.9
78.17582	1.4
83.01250	5.1
85.02824	11.7
87.00770	3.2
88.01048	1.4
89.02309	10.6
95.01266	2.1
99.00754	4.2
101.02332	21.5
109.02874	1.5
113.02316	12.9
119.03385	4.7
125.02403	2.5
127.07520	2.1
137.02304	2.9
143.03442	3.0
151.03865	2.4
159.02879	3.7
161.04465	17.4
165.01917	1.6
166.02565	2.8
179.03401	1.9
179.05475	3.1
181.05011	1.7
196.03722	1.5
196.83093	1.6
201.44193	1.5
209.19331	1.6
238.31017	1.6
260.37320	1.9
275.20184	1.7
347.17081	23.3
348.17386	2.8
357.98395	1.4
365.18033	3.7
373.18219	1.8
389.25482	2.1
407.07635	4.6
407.18640	7.3
407.26590	28.7
408.26773	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
61.98717	2.2
68.78054	1.6
70.02897	6.1
71.01257	31.1
72.99232	2.2
73.02802	11.6
80.71498	1.7
83.01269	5.3
85.02824	14.3
89.02324	15.8
90.69312	1.7
95.01260	2.3
99.00797	2.4
101.01716	2.3
101.02329	23.8
109.02826	2.2
112.52874	1.8
113.02354	14.1
119.03386	6.9
121.02840	2.3
125.02413	2.3
143.03391	3.2
148.01608	2.7
149.57379	1.8
150.03130	4.2
153.05496	2.8
157.01253	1.9
159.02908	2.0
161.04491	16.4
163.03920	2.7
165.05490	6.9
181.04993	6.8
185.11765	4.1
211.06061	4.1
228.04228	2.0
255.02922	6.3
256.03702	4.0
283.02493	2.7
347.17078	49.9
348.17438	5.4
407.07620	14.8
408.07953	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	409.1506
Annotation	Pasakbumin C
Peak:m/z	Relative Intensity
57.03317	0.4
59.01253	3.2
70.56606	0.7
71.01257	4.1
71.04889	0.7
72.99187	0.3
73.02826	1.3
75.00740	0.5
83.01260	0.7
83.04906	0.3
85.02821	2.1
87.00769	0.5
89.02318	1.1
93.03346	0.3
95.01284	0.4
99.00765	0.7
101.02310	2.6
101.05972	1.1
110.63869	0.2
113.02362	1.4
117.03352	25.4
118.03694	1.2
119.03461	0.4
119.04922	5.6
121.02861	0.4
145.02861	100.0
146.03198	5.7
161.04506	0.9
163.03929	6.8
165.05565	0.3
263.15100	1.2
349.18713	0.7
409.15027	39.3
410.15326	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	409.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.7
58.00475	2.0
59.01253	100.0
60.01580	1.2
61.98716	0.9
63.32961	0.6
65.61306	0.7
69.36034	3.7
70.25626	0.7
71.01257	29.3
72.26066	0.7
72.99187	2.2
73.02818	1.4
76.46964	0.6
76.86407	0.7
83.01283	1.3
83.33488	0.8
85.02834	4.7
87.00752	2.3
89.02319	38.5
95.01285	2.5
99.00785	0.8
101.02322	16.5
102.30260	0.6
103.24304	0.7
105.12512	0.6
113.02328	10.9
119.03384	12.9
131.03415	0.8
134.03506	1.1
138.39252	0.6
143.03400	3.4
145.02902	0.8
149.04428	0.9
161.04494	3.1
176.04672	0.8
179.05533	9.9
205.03389	1.3
215.97054	0.8
261.13382	0.7
349.11530	1.6
349.18677	1.5
409.11450	0.8
409.20636	5.1
410.20404	1.0
413.84995	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66189	0.6
58.32295	0.6
59.01253	100.0
61.98729	1.4
71.01255	15.8
71.01615	1.3
71.08103	0.8
71.53191	1.0
72.99197	2.0
73.02840	2.6
83.01257	1.1
85.02827	3.5
85.35290	0.6
87.00732	1.3
89.02320	26.4
95.01266	1.2
101.02335	8.6
113.02342	8.1
114.02721	0.8
114.96783	0.8
116.00551	0.8
119.03403	10.4
131.03374	1.3
135.04440	0.8
137.02376	1.0
143.03413	3.3
149.04451	0.9
161.02388	0.9
161.04463	5.4
179.05542	11.6
179.07007	1.1
349.18686	5.0
350.19165	0.8
430.01941	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	6.7
57.03325	6.5
58.00467	4.1
59.01253	100.0
60.01575	1.2
61.98706	3.0
69.03341	2.0
69.24458	10.0
71.01257	86.6
72.01594	2.0
72.99165	6.2
73.02822	29.5
74.03166	1.2
74.98964	1.9
75.00761	2.5
76.55549	1.0
77.71369	1.0
81.03302	1.2
83.00798	2.1
83.01261	24.4
83.04910	1.1
85.02827	41.9
85.99986	1.2
86.03149	1.5
87.00751	5.0
87.60445	1.1
89.02322	35.1
95.01270	5.0
97.02879	2.6
98.20545	2.5
99.00755	11.1
99.08050	1.7
101.02325	87.6
102.02657	1.4
103.03927	1.6
109.02834	2.1
111.00765	2.1
113.02335	33.4
114.02684	1.5
117.03349	18.4
119.03395	14.1
119.04877	3.2
123.04375	2.5
125.02339	3.1
129.01859	2.2
131.03442	1.5
136.99028	1.4
143.03439	6.4
145.02859	66.7
146.03198	3.8
149.04494	1.6
159.02924	4.9
161.04472	36.8
163.03896	4.0
179.05540	7.0
187.13350	6.3
205.03500	1.7
263.14999	98.7
264.15350	8.0
285.04272	1.8
349.18658	29.4
350.18979	3.5
409.09189	5.1
409.15021	26.0
409.20792	23.7
410.15366	3.7
410.21320	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	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.1
57.03319	1.1
58.00468	1.6
59.01250	100.0
61.98704	1.2
69.99839	1.3
70.00231	1.3
71.01250	29.2
71.04897	1.1
72.99193	2.7
73.02815	3.5
83.01282	2.4
85.02824	6.5
86.83785	0.7
87.00783	2.3
87.04400	1.2
89.02316	33.1
95.01297	2.0
99.00787	1.0
101.02325	22.7
101.05967	0.9
113.02334	14.6
113.03066	1.1
119.03382	14.7
120.99610	0.8
125.02356	3.3
131.03412	1.4
137.02351	1.3
138.21082	0.6
141.00137	1.1
141.23793	0.6
143.03387	4.0
149.04501	1.0
153.01865	0.7
159.02850	0.9
159.06651	1.0
161.02361	1.0
161.04463	11.5
179.05542	12.1
183.01187	0.9
187.13394	2.6
245.25035	0.7
321.04288	4.0
349.18695	24.8
350.19189	2.4
355.49783	0.7
409.20908	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.9
57.03316	2.1
59.01254	100.0
60.01585	1.9
61.98721	1.3
69.03334	1.2
69.87679	4.6
71.00871	0.8
71.01254	24.2
72.99187	2.2
73.02831	4.1
74.40329	1.1
81.19922	0.9
83.01268	2.9
85.02837	10.5
87.00776	1.5
89.02312	11.9
93.03352	2.6
99.00785	2.1
101.02326	17.3
113.02311	9.0
119.03394	5.5
125.02350	3.9
126.27253	1.1
135.04443	1.3
137.02376	3.6
143.03453	1.2
151.03978	1.2
159.02892	2.4
161.04453	13.2
165.05479	1.0
173.04372	1.4
179.05516	2.4
191.05515	6.8
236.05609	2.4
292.94653	1.0
321.04407	1.5
349.18640	29.7
350.19012	3.9
367.44608	1.2
393.18896	1.1
410.10678	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	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.2
59.01251	100.0
59.29881	1.4
61.98689	2.8
63.35538	1.5
71.00893	2.6
71.01257	30.0
71.41113	1.6
72.99171	4.3
73.02816	3.1
80.96391	1.7
83.01254	2.0
85.02834	10.5
87.00755	3.6
89.02319	42.1
95.01266	3.7
98.74234	1.2
101.02325	18.5
113.02332	16.0
113.65236	1.4
117.82079	1.3
119.03384	12.2
123.04390	1.5
125.02316	1.4
131.03368	3.1
134.03476	2.3
143.03374	5.6
149.04411	2.4
158.67606	1.4
161.04446	6.9
179.05553	14.2
191.05531	3.9
276.68192	1.6
305.11945	1.4
325.47748	1.5
348.64032	1.3
349.11505	4.3
349.18604	8.0
350.18954	1.7
385.02747	1.3
409.20535	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	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	6.8
57.03323	7.1
58.00470	3.2
59.01251	72.8
61.98710	0.8
69.03323	2.3
69.49718	0.8
69.50126	3.0
71.01253	83.5
72.01604	1.1
72.99178	5.7
73.02820	25.6
74.03184	0.6
75.00771	1.4
80.06190	0.6
83.01259	18.2
85.02823	36.6
85.99980	2.1
86.03168	1.1
87.00747	4.6
89.02316	38.3
95.01265	3.8
95.43511	0.5
97.02845	3.6
98.20532	0.7
99.00761	10.2
101.02322	78.0
102.02674	2.4
102.36451	0.6
109.02878	0.7
111.00762	8.3
113.02333	27.0
113.09612	0.8
115.03902	1.8
117.43804	0.6
119.03393	2.0
119.20073	0.6
124.98789	0.6
125.02352	5.2
126.18434	0.7
129.01840	2.4
131.03398	33.6
135.04448	0.6
143.03400	4.4
145.02843	2.9
149.04469	8.0
152.99455	0.8
155.03459	0.7
159.02899	5.3
161.04469	18.7
185.11842	1.0
191.05519	0.6
205.03433	1.3
215.05565	1.2
233.06622	4.5
247.13809	1.1
277.16547	100.0
278.16895	8.3
293.08759	0.7
321.15286	1.0
324.07300	0.6
347.00833	0.6
409.14978	1.6
409.20743	50.3
409.83127	0.6
410.21127	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	409.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	5.1
57.03324	5.8
58.00466	1.8
59.01252	37.6
61.98695	1.0
69.03327	1.2
69.22134	0.7
69.42410	4.2
71.01255	54.4
72.99171	2.4
73.02821	21.8
75.00733	1.4
83.00793	1.4
83.01255	12.5
85.02824	30.1
85.99973	1.5
87.00764	3.4
88.44613	0.9
89.02312	9.7
95.01260	3.1
96.95925	0.8
97.02805	1.9
99.00755	10.0
101.02323	58.0
102.02676	1.7
106.32165	0.8
111.00764	2.2
113.02337	22.1
115.03877	1.5
119.03343	1.2
119.04904	1.7
123.04421	1.2
125.02332	2.9
129.01828	1.3
131.03412	2.8
133.02853	0.7
141.01833	0.8
143.03377	2.5
153.05482	1.0
159.02901	4.6
161.02350	1.7
161.04463	22.3
165.09254	0.7
172.59404	0.8
205.03514	0.9
233.06635	1.6
247.13263	0.6
277.16562	100.0
278.16873	8.1
321.15503	1.3
409.20776	49.7
410.21164	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	409.2358
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
59.01233	0.6
61.73444	0.2
62.96272	0.3
63.59996	0.3
71.01266	0.2
78.95778	72.4
84.96018	0.2
96.96844	5.4
98.20588	0.6
106.06055	0.3
124.47055	0.3
150.97917	1.9
152.99493	100.0
153.99854	1.9
167.41925	0.3
171.00562	2.9
184.94652	0.2
255.23259	2.5
315.33615	0.3
409.23590	12.4
410.24054	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.1
57.03316	0.9
59.01250	2.3
61.00893	2.6
68.99700	2.0
71.01257	5.1
71.52948	0.4
72.99179	3.9
73.02440	0.4
73.02821	5.7
75.00742	1.7
75.02462	2.7
83.01262	2.6
84.07126	0.3
84.99193	0.3
85.00907	5.8
85.02827	4.8
85.57731	0.3
87.00759	3.2
88.98675	0.3
89.02323	1.0
89.04012	0.3
96.95890	3.0
96.99157	0.5
97.77519	0.2
97.99987	0.5
99.00763	5.2
99.02487	3.5
99.99609	0.6
100.98692	0.6
101.00402	0.7
101.02304	2.1
103.00249	1.1
103.01974	1.5
105.01818	0.8
111.00740	1.2
111.02496	0.4
112.98695	6.3
113.00372	1.4
113.02359	0.5
114.98349	2.3
115.00243	1.1
115.01981	1.4
117.01812	0.7
119.03412	0.3
122.97453	0.4
124.98690	1.2
125.99487	0.3
127.00240	0.5
127.01977	0.9
129.01837	0.9
129.03539	2.1
131.01436	1.0
131.03423	0.4
132.99361	0.4
141.03627	0.3
142.99779	1.9
143.01465	2.8
145.01347	4.1
145.03067	0.6
147.02927	0.9
150.56769	0.3
154.99762	0.7
157.01340	3.0
157.03046	0.4
159.02884	0.6
165.03976	1.6
168.99406	0.6
171.00995	5.0
173.00850	1.6
173.02548	4.7
179.05577	0.3
187.00775	0.4
187.02425	1.6
187.04044	0.5
191.01973	0.4
191.03607	4.0
199.00500	0.8
201.01965	0.4
203.03590	0.5
205.05194	3.1
217.01604	0.6
231.03096	1.0
231.06946	0.6
233.04710	7.2
263.02274	1.8
263.05798	15.6
264.02649	0.3
264.06171	0.8
275.05795	0.4
319.04910	1.5
327.02396	0.3
327.96933	0.3
333.06274	0.8
363.07254	0.4
379.06912	6.4
380.07141	0.3
411.09464	100.0
412.09833	8.4
412.15057	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2542
Annotation	Robustol
Peak:m/z	Relative Intensity
52.02106	0.4
59.01249	1.1
70.74081	0.6
70.74415	0.5
73.20450	0.4
78.95762	1.3
94.79368	0.5
121.02871	0.5
121.62508	0.4
131.04892	0.8
133.06523	0.9
134.03621	1.4
135.11707	1.0
147.04390	2.9
149.06029	3.2
152.99509	0.7
155.00012	0.5
159.04463	0.4
160.05196	1.0
162.06770	1.6
171.90764	0.4
172.05116	0.4
174.06749	1.4
187.07625	0.9
189.09142	1.3
192.04234	0.4
200.08372	1.1
207.06581	13.8
208.06879	0.9
241.12119	0.5
254.13161	0.6
268.14706	0.5
320.31082	0.4
322.19336	1.6
337.21744	4.3
338.22171	0.8
351.23053	0.5
352.24075	0.9
365.50714	0.5
409.28003	0.4
411.25406	100.0
412.25748	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	411.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23977	0.8
59.01254	100.0
60.01572	1.8
70.74133	2.8
112.02940	1.0
112.64683	1.2
141.09113	2.2
158.53749	1.0
261.44266	1.1
287.22229	1.3
344.28992	1.0
411.25345	6.7
411.31091	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	411.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01579	1.8
71.45534	1.9
77.39877	1.4
117.77254	1.4
118.96168	1.3
160.89229	1.4
188.61563	1.3
215.88817	1.4
411.25479	15.7
412.25656	3.7
434.53802	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	413.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	35.7
60.01598	0.6
64.93689	0.7
70.40600	1.5
71.01280	0.9
76.25839	0.6
80.24658	0.7
98.20465	0.8
104.02558	6.2
119.13129	0.8
120.68528	0.6
125.02305	0.9
137.82013	0.6
145.52634	0.6
148.01541	10.7
176.01071	85.9
177.01416	4.4
191.03432	100.0
192.03760	7.0
201.01888	0.8
256.44058	0.7
272.36646	0.9
306.31442	0.9
413.13498	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.2
57.03331	10.6
59.01250	13.9
70.56133	1.3
70.56501	1.1
70.78516	0.5
71.01259	10.0
72.99194	0.9
73.02821	4.5
83.01258	2.3
83.07818	0.5
85.02820	5.2
87.00756	0.8
89.02329	2.8
95.01263	0.9
96.53188	0.5
96.95852	0.9
99.00765	1.2
99.04409	6.8
101.02326	8.1
104.05580	0.5
113.02295	3.2
116.20747	0.5
117.03329	1.0
117.05452	0.9
119.04916	1.9
125.02354	4.0
132.02071	19.6
133.02878	10.8
134.02631	1.1
134.03639	15.9
135.04433	2.6
135.37067	0.6
137.02328	1.6
139.03908	0.7
143.85947	0.6
149.06012	2.3
151.03955	0.8
160.01576	92.5
161.02351	16.3
161.04486	1.6
162.02617	0.6
168.89934	0.5
175.03928	100.0
176.04288	5.2
177.01889	1.0
177.05492	1.1
178.02618	1.6
179.03426	2.0
193.05005	17.1
193.06769	1.0
194.05315	1.1
237.09773	0.7
250.08406	0.6
251.09309	0.8
269.10321	2.6
269.70239	0.5
288.15512	0.6
319.26575	0.7
398.12286	1.6
413.14517	78.4
414.14807	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	413.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	12.1
61.98716	2.4
69.33050	10.5
71.01263	11.8
73.02824	3.5
75.53903	1.5
83.01258	2.0
85.02834	5.3
89.02328	4.3
101.02316	6.4
107.45586	1.3
113.02330	2.9
117.03351	20.9
119.03532	2.0
119.04925	6.9
123.04396	4.1
125.02349	4.6
133.02870	23.0
135.04414	4.8
137.02280	1.9
145.02861	80.5
146.03227	4.4
153.01779	2.0
153.05504	4.2
157.58409	1.6
160.01686	3.2
161.02362	75.6
162.02721	3.6
163.03911	12.5
167.03331	1.6
175.03925	4.8
179.03429	2.7
264.70917	1.9
404.61072	1.5
413.14526	100.0
414.14938	12.0
420.47937	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01591	0.9
61.65409	0.4
62.74169	0.4
71.01269	1.7
71.54563	0.4
71.54990	0.7
73.02840	0.8
84.39272	0.4
85.02828	0.7
89.02332	1.1
98.78446	0.5
101.02342	1.1
113.02322	0.8
121.02957	0.4
137.02370	1.1
158.00948	0.4
166.40863	0.4
179.03386	0.6
183.01105	1.0
194.05722	0.7
209.08185	0.6
251.16498	2.8
252.17076	0.5
404.96259	0.5
413.22055	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	413.291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23827	1.0
59.01252	100.0
60.01579	1.4
65.63793	1.2
72.71094	1.0
73.46545	1.2
287.53918	1.3
305.23007	1.2
413.27182	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
71.33610	4.6
71.33977	3.5
76.32774	3.1
86.67509	2.8
95.41847	2.6
127.66678	2.6
173.20380	3.0
300.16022	2.9
413.26990	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	415.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.0
57.03307	2.4
58.00448	4.2
59.01251	100.0
60.01565	2.0
69.03339	2.5
71.01254	78.7
71.53562	1.9
72.99175	7.5
73.02830	9.9
75.00732	2.2
81.03328	2.7
83.01257	7.6
83.96059	1.2
85.02821	15.6
87.00756	11.9
87.99619	1.4
89.02317	78.9
95.01263	3.0
96.71037	1.4
97.02819	6.9
99.00768	2.8
101.02318	62.3
102.02684	1.9
111.00726	1.7
113.02325	27.5
119.03402	24.0
121.02824	2.2
125.02337	13.7
131.03435	5.0
132.91898	2.0
143.03403	9.1
149.04453	3.5
161.04480	12.0
179.05527	24.5
180.05740	1.7
185.04390	1.9
221.06595	6.0
235.08192	12.6
253.09335	9.1
263.07669	5.4
278.01715	1.4
287.07675	2.1
305.08932	1.8
407.12802	1.4
413.76291	1.9
415.14566	90.4
416.14911	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	415.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88446	0.4
55.01771	0.6
57.03331	0.7
58.00475	3.4
59.01250	72.5
60.01585	0.8
69.03335	0.9
70.35057	1.3
71.01252	57.6
72.01598	1.4
72.99194	2.5
73.02814	16.2
81.39369	0.4
82.98946	0.4
83.01279	1.5
85.02821	7.1
86.03130	0.4
86.38805	0.4
87.00755	1.4
89.02316	100.0
90.02641	2.1
95.01251	1.2
97.02840	1.1
99.00756	22.4
100.01102	0.8
101.02325	39.0
102.02673	1.0
113.02329	12.4
115.03867	0.5
119.03397	9.0
120.03661	0.4
123.04382	2.2
125.02351	4.8
131.03394	18.5
143.03394	2.8
149.04459	60.5
150.04813	1.3
153.05476	3.5
161.04495	3.9
179.05534	3.9
182.26093	0.5
191.03789	0.7
191.05534	14.3
192.05962	0.4
192.54077	0.4
205.85004	0.4
221.06638	2.3
233.06392	0.6
251.07730	3.1
283.11996	0.5
409.51297	0.5
415.16171	7.0
416.16293	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01512	0.6
55.01761	6.6
57.03329	6.7
58.00466	2.7
59.01252	42.2
60.01604	0.5
66.25879	0.3
67.01766	0.4
68.99702	0.5
69.03336	2.7
69.82458	1.3
70.41320	0.3
71.01256	92.3
71.26020	0.3
72.01585	1.3
72.31513	0.3
72.99184	4.8
73.02821	36.2
74.03161	0.7
75.00747	2.7
81.03335	1.4
83.01262	26.6
83.04919	0.7
84.01621	0.8
85.02826	45.4
85.99976	0.9
86.03172	1.0
87.00755	3.9
87.04405	0.4
89.02317	9.0
93.03329	0.3
95.01268	6.1
97.02833	4.8
98.20550	0.5
99.00759	13.0
99.04401	0.4
101.02325	80.4
102.02658	1.6
103.03881	5.6
107.04900	0.7
108.02039	2.0
109.02887	1.8
111.00787	1.0
111.04398	0.4
113.02334	30.5
114.02685	1.0
115.03905	1.1
119.03384	2.3
123.04408	0.7
125.02338	6.4
127.03899	1.0
129.01817	1.7
131.03419	0.8
135.04407	1.2
137.02342	0.8
141.01802	0.9
143.03406	5.7
145.04953	1.7
152.01068	1.4
153.01877	0.6
159.02905	7.8
161.04471	53.9
162.04768	2.0
163.06042	2.8
167.03439	0.9
179.03450	0.5
205.03487	3.8
205.07201	0.3
220.01596	0.3
229.07129	2.2
247.08249	4.0
248.37839	0.3
251.09349	0.4
269.10303	100.0
270.10675	8.1
307.10498	0.3
313.09348	0.7
415.16251	27.2
416.16519	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20359	0.7
54.22949	0.7
55.01756	1.8
55.89713	0.7
56.61764	0.6
57.03319	1.9
58.00467	3.6
59.01250	87.2
60.01587	0.9
69.05991	0.8
71.01254	69.4
71.02955	0.9
71.03313	1.3
72.01594	0.9
72.99194	4.3
73.02814	13.2
73.03191	1.1
80.81506	0.9
83.01259	3.5
85.02815	11.4
85.99944	0.9
87.00751	8.3
89.02317	100.0
90.02660	2.4
95.01263	1.2
97.02859	1.1
99.00769	2.4
101.02324	45.3
108.46709	0.9
113.02327	13.4
119.03387	6.2
123.04414	25.0
124.04744	1.1
125.02341	2.9
131.03395	41.6
132.03728	1.9
143.03438	1.5
146.90553	0.7
149.04457	65.0
150.04820	2.5
153.05476	36.3
154.05832	1.3
161.04442	5.7
170.41415	0.7
191.05551	16.9
192.05911	0.8
283.11871	7.4
284.12146	1.0
315.10928	1.1
415.16058	9.8
416.16476	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	415.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01588	1.1
60.72333	0.3
71.01254	3.7
72.99193	0.4
73.02827	1.3
83.01285	0.4
85.02839	1.0
89.02317	1.9
95.48009	0.3
99.86757	0.3
101.02335	2.5
113.02345	1.5
119.03423	0.8
123.55809	0.3
136.75711	0.3
143.03421	0.3
149.60414	0.3
154.53554	0.3
161.04491	0.9
212.11278	0.3
225.46280	0.3
228.14456	0.3
232.17525	0.3
264.76404	0.3
267.10852	0.5
319.24203	0.3
340.85876	0.3
415.23376	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.7
59.03474	0.2
62.29211	0.2
63.02277	0.5
71.31091	0.3
85.02823	0.3
90.64744	0.2
93.03349	0.6
101.02332	0.3
107.01257	1.0
109.02837	0.6
113.02357	0.3
117.03335	1.3
119.04983	0.3
123.00820	0.3
132.02075	0.4
135.00787	0.8
137.02339	0.7
145.01797	0.5
145.02861	4.5
151.00262	2.2
153.01793	0.4
159.04417	0.4
163.00294	0.5
163.03874	0.3
164.01022	0.3
166.02621	1.1
171.04469	0.3
173.02354	0.2
175.03862	0.3
177.68657	0.3
178.99709	0.4
179.03389	0.4
181.04996	1.7
183.04382	1.9
185.02400	0.3
185.06032	0.8
187.03995	0.8
196.05190	0.3
198.42851	0.3
211.03966	2.1
213.05434	0.4
215.03661	0.3
227.03452	80.9
228.03790	7.8
229.05025	1.8
239.03413	0.9
240.04102	0.5
241.04955	0.4
255.02969	100.0
256.03488	15.1
257.04315	1.3
269.04385	0.5
283.02341	0.5
284.03259	89.9
285.03918	22.5
286.04416	1.8
307.08405	0.4
327.05005	0.9
402.13040	0.3
417.08234	91.3
418.08563	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	417.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.3
57.03312	2.1
59.01253	100.0
60.01580	1.3
69.67992	5.1
71.01257	36.9
72.01561	1.1
72.99168	1.9
73.02821	11.6
75.00723	1.9
78.55316	0.7
83.01266	4.6
85.02828	17.2
87.00761	3.3
89.02322	10.2
92.84602	0.9
95.01266	2.6
98.20457	1.0
99.00758	4.1
100.60862	0.8
101.02328	31.3
102.02637	0.9
109.02854	0.9
113.02337	16.3
119.03381	3.5
119.97314	0.8
121.02879	1.0
123.04465	4.5
125.02312	1.1
129.01839	1.4
131.03386	1.9
137.02271	0.8
143.03391	3.2
159.02950	4.1
161.03207	1.6
161.04475	29.2
162.04765	1.8
170.36154	0.9
177.05450	2.0
179.05435	2.2
205.03543	1.6
221.06575	1.8
267.97717	1.1
357.11871	30.4
357.15594	1.9
358.12289	2.8
377.55557	0.9
381.17389	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	417.1551
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
57.03303	0.4
59.01250	2.2
65.80704	0.2
67.01744	0.3
68.38820	0.2
68.94028	0.2
68.99664	0.3
69.03316	0.3
69.27094	0.2
69.34550	1.9
71.01257	1.1
79.01751	0.2
81.03317	0.5
85.02821	1.0
89.02278	0.4
93.03326	0.6
95.01247	1.0
95.04889	0.6
97.02811	0.5
101.02303	0.4
107.04913	0.4
108.02045	0.7
109.02134	0.4
109.02838	5.2
110.03159	0.4
111.00773	0.7
117.03340	2.1
119.04911	0.7
121.02840	1.0
121.06456	0.5
123.00775	4.9
123.04375	0.9
124.01549	1.0
125.02323	1.6
133.02879	0.3
134.03612	0.3
135.00717	0.2
135.04405	0.4
136.01563	0.3
137.02347	17.8
138.02818	0.7
139.00314	0.5
139.03920	1.0
145.02864	8.1
146.03223	0.4
147.04430	0.8
149.02333	2.0
149.05981	0.6
150.03104	0.9
151.00275	31.5
151.03854	1.9
152.01079	3.6
152.04709	3.2
153.01764	0.4
153.05505	0.4
159.04445	0.6
161.02301	0.3
162.03149	0.5
163.03923	1.4
164.04706	0.4
165.01843	1.2
165.05293	0.3
166.02632	71.4
167.03290	5.3
168.03932	0.3
173.02321	0.5
175.03928	1.6
175.07422	0.3
176.01036	0.3
177.01843	4.2
177.05519	0.5
178.02556	0.8
179.03409	1.1
179.07037	0.4
181.04988	100.0
182.05316	5.0
184.03625	1.4
185.36214	0.2
187.03923	0.5
188.04776	0.3
189.05527	0.3
190.02647	0.5
190.06303	1.2
191.03453	1.3
192.04208	1.8
193.05006	1.1
195.02907	0.9
203.03487	0.5
204.04218	0.3
205.05045	1.5
205.08652	1.9
206.05772	0.3
207.06615	1.3
209.04572	0.4
219.06584	0.9
220.07343	0.3
255.10312	0.5
297.07538	0.3
299.05621	0.4
301.07211	0.6
307.08264	0.8
307.11511	0.3
314.07959	0.4
329.06815	0.3
329.10495	0.6
356.12704	0.4
357.09839	0.6
358.10324	0.3
359.11377	2.4
360.11795	0.3
371.15018	0.6
387.10849	17.1
388.11237	2.2
402.13202	13.3
402.18619	0.4
403.13690	1.7
403.18198	0.3
410.04279	0.3
417.15717	25.4
418.15970	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	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.1
57.03314	0.7
58.00458	0.5
58.22368	0.4
59.01251	10.6
60.34845	0.3
61.98709	0.4
64.31586	0.3
69.82773	1.2
71.01257	14.6
72.99198	0.9
73.02818	4.5
75.00745	0.6
83.01279	1.4
85.02824	5.1
87.00752	0.9
89.02322	3.7
93.03329	0.8
95.01262	1.0
97.02824	0.6
98.19887	0.6
99.00751	1.5
101.02322	7.7
102.02650	0.6
103.03928	0.4
109.02853	0.5
113.02345	4.4
115.03947	0.7
119.03379	1.7
121.02853	20.2
123.04427	0.9
124.01545	0.9
125.02354	2.3
133.04964	3.8
134.05138	0.3
135.04436	1.8
137.02344	1.0
143.03436	0.5
149.99515	0.4
151.00352	0.4
151.03911	1.1
153.05521	0.4
157.05006	0.9
159.02922	1.3
161.04483	7.9
163.03978	0.5
166.06276	100.0
167.06610	5.2
168.00581	1.2
181.05328	2.6
181.08633	85.0
182.08978	5.1
191.05492	0.9
205.03598	0.4
235.08177	3.0
243.55772	0.3
357.11832	0.8
417.09760	2.0
417.18677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.5
58.00472	2.1
59.01252	100.0
59.10236	0.6
60.01584	1.0
61.98711	2.1
64.89169	0.7
71.01252	33.0
71.09528	1.2
71.65375	0.7
72.99181	1.6
73.02818	4.4
75.00761	0.8
83.01280	1.9
85.02828	8.3
87.00783	1.5
89.02319	31.2
95.01299	2.7
99.00776	1.9
101.02326	18.8
113.02338	14.3
113.03064	1.2
119.03388	12.8
123.04436	2.8
125.02378	1.2
131.03389	1.2
139.03922	1.7
141.42963	0.7
143.03398	4.1
149.04498	1.1
159.02945	2.3
161.04460	18.4
162.04866	0.9
165.01811	0.8
177.09204	3.2
179.05539	6.5
195.10246	1.1
205.03505	0.8
267.20407	0.6
357.11508	1.6
357.15588	17.2
358.15994	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.6
57.03317	2.3
59.01253	100.0
60.01589	1.9
61.01652	1.6
61.26893	1.2
61.98706	1.8
69.33047	11.1
71.01253	37.1
72.01597	2.1
73.02821	9.7
76.38033	1.4
83.01240	4.3
85.02833	14.4
89.02312	10.9
95.01271	2.2
99.00764	5.3
100.69904	1.3
101.02322	19.6
110.79418	1.7
113.02324	12.6
116.10848	1.4
123.04424	3.0
125.02312	2.6
125.04868	1.5
131.03345	2.0
143.03363	2.8
149.04454	3.0
153.05461	1.4
154.05801	1.8
155.06010	1.2
159.02888	4.0
161.04471	30.2
165.09125	4.1
182.77391	1.3
205.03383	2.1
254.88535	1.5
327.06430	1.4
357.15573	12.1
363.79047	1.4
417.16983	2.8
425.76923	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	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.01581	1.8
61.98709	1.6
69.72805	0.9
71.01267	5.2
71.03775	0.8
71.54393	0.9
75.00744	1.8
77.73319	0.8
82.22742	0.8
85.02829	1.7
89.02315	2.5
96.69193	0.9
96.95889	1.4
99.00742	0.8
99.52737	0.8
101.02325	3.0
103.62218	0.8
103.66935	0.8
103.85609	0.8
106.83665	0.9
113.02319	1.8
119.03445	0.9
125.02302	1.1
161.04443	1.5
181.04913	1.4
187.39384	0.8
207.66092	0.8
212.30392	0.9
238.18048	0.8
317.05246	0.8
417.28955	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.213
Annotation	Maryal
Peak:m/z	Relative Intensity
50.47256	0.8
51.62277	0.7
55.01751	2.3
57.03320	1.9
58.00455	2.0
59.01252	97.2
60.01577	1.0
61.98685	0.7
71.01257	29.0
72.99176	2.7
73.02821	5.2
74.15395	0.7
74.56256	0.7
75.00751	0.9
82.11493	0.8
83.01255	3.9
85.02820	11.1
87.00745	1.9
89.02317	26.3
95.01248	3.2
98.20566	2.0
99.00745	2.5
101.02322	20.5
102.02635	1.2
113.02338	12.0
119.03400	11.3
131.03387	1.2
136.29552	0.8
143.03368	1.5
149.04439	0.9
161.04477	2.3
175.14915	0.9
179.03400	0.8
179.05469	2.1
227.03458	1.3
229.55325	1.0
237.14848	4.9
238.15367	0.9
255.02870	1.2
255.16017	1.9
269.25122	0.8
284.03232	1.0
357.19388	1.3
399.20303	2.3
400.10724	0.8
417.21216	100.0
418.21509	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	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.4
57.03332	2.1
58.00457	1.4
59.01254	90.7
60.01589	1.0
61.98699	0.7
69.22301	2.9
69.22717	1.2
71.01256	31.4
72.07005	0.5
72.99196	3.1
73.02427	0.7
73.02821	4.9
75.00750	1.2
81.03338	0.5
83.01276	3.1
85.02828	9.4
87.00764	2.0
87.80898	0.4
89.02322	25.7
89.90804	0.5
93.03314	0.5
95.01243	2.4
97.02876	0.5
99.00768	1.8
101.02325	22.3
101.92410	0.4
102.02682	0.7
113.02334	12.5
114.02690	0.4
116.34056	0.4
119.03399	11.1
125.02332	1.5
131.03386	1.2
137.02321	1.7
143.03430	1.4
149.04410	1.0
155.10573	0.4
159.02937	0.5
161.04465	3.4
163.24025	0.4
165.01805	1.0
167.03441	0.5
175.14830	1.2
177.01852	0.5
179.03387	0.8
179.05554	1.6
181.05013	0.7
202.44290	0.4
205.08530	0.4
227.03439	1.5
227.19475	0.4
228.89607	0.4
237.14919	4.3
245.40211	0.4
251.11617	0.5
255.02946	1.7
255.16072	2.1
284.03180	1.0
285.04047	0.5
297.04190	0.5
322.31442	0.4
324.83618	0.6
357.19055	1.7
399.20132	1.9
417.21225	100.0
418.21594	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	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.5
55.19754	0.5
57.03332	3.6
58.00443	1.2
59.01255	28.7
60.01609	0.5
60.17817	0.4
61.98696	0.5
69.03310	0.6
69.27837	2.0
69.28263	2.0
71.01258	28.2
72.01575	0.4
72.99166	2.1
73.02823	16.5
75.00758	1.1
78.56485	0.5
83.00883	0.4
83.01270	4.4
85.02830	13.2
87.00743	2.8
89.02326	9.6
95.01266	2.7
96.20557	0.4
96.95896	0.5
97.02831	0.7
99.00752	2.4
99.04383	1.3
101.02329	18.4
101.03001	0.9
111.00763	1.1
113.02336	9.4
119.03401	2.7
123.04452	0.5
125.02316	1.7
129.01808	0.6
131.03299	0.5
137.02354	1.0
139.00258	0.5
143.03314	0.5
145.04939	0.6
149.05989	0.6
153.01895	0.7
159.02907	1.0
161.04440	2.3
163.11191	0.5
175.14830	2.8
181.12288	5.1
237.14944	2.6
255.03088	0.5
255.16011	2.6
269.08243	0.9
285.03986	0.4
328.09106	0.5
417.21228	100.0
418.21545	13.7
419.90494	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09465	0.6
55.01758	4.7
55.68718	0.6
56.48550	0.6
57.03321	5.1
58.00469	4.4
59.01252	100.0
60.01595	1.2
68.26565	0.6
69.03355	0.9
69.35833	5.3
71.01254	99.9
72.01603	1.8
72.99184	5.0
73.02822	20.6
74.30849	0.6
75.00758	1.3
83.01259	7.7
85.02827	34.0
87.00740	4.4
87.04405	1.9
89.02318	67.1
90.02683	1.0
95.01254	7.3
97.02846	1.8
99.00756	8.2
101.02324	71.9
102.02694	1.2
108.76292	0.7
111.00712	0.7
113.02332	42.1
114.02692	1.3
119.03391	29.3
120.03812	0.8
125.02367	1.8
129.01866	1.2
131.03403	1.7
131.56067	0.6
143.03430	6.3
149.04515	2.1
159.02907	5.9
161.04469	36.3
162.04858	0.8
179.05531	7.0
205.03488	1.0
237.81158	0.7
255.19722	2.3
272.06577	0.6
364.55338	0.7
389.29138	1.3
417.25095	35.5
418.25522	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	417.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	5.3
57.03326	4.5
58.00471	4.8
59.01253	80.4
60.01598	1.1
64.29041	0.5
69.03332	0.8
69.30656	4.2
71.01256	100.0
72.01589	1.5
72.99184	5.8
73.02818	20.2
73.34954	0.5
75.00748	1.7
81.03317	0.8
83.01265	11.3
84.02048	0.7
85.02828	33.2
86.03177	1.2
87.00756	4.1
87.04386	1.7
89.02319	54.7
90.02627	1.0
93.74760	0.5
95.01261	6.5
97.02825	0.9
99.00760	10.5
101.02327	71.7
101.05994	0.5
102.02663	1.2
111.00768	1.4
112.01505	0.6
113.02333	40.2
114.02675	0.9
115.00280	0.5
115.03891	3.4
119.03394	24.6
120.03752	0.5
121.10138	0.5
125.02371	2.6
129.01816	1.1
131.03395	2.3
133.01335	1.6
137.02345	1.1
143.03401	6.3
143.19098	0.5
149.04480	1.8
159.02896	6.8
161.04466	34.4
161.40125	0.5
162.04823	2.0
175.14909	0.9
179.05544	8.3
180.05939	0.5
199.91472	0.6
204.61220	0.5
205.03448	1.0
211.01476	0.5
219.13876	1.1
237.14880	1.1
255.19594	2.8
310.78110	0.5
326.11261	0.4
417.25180	25.9
418.25421	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	419.1348
Annotation	Monnieraside I
Peak:m/z	Relative Intensity
55.01759	1.3
55.04534	1.0
59.01251	16.7
61.98689	4.7
64.11016	1.0
65.03848	1.1
67.14053	0.9
68.99688	1.3
69.49051	7.3
71.01256	14.1
73.02817	4.6
83.01239	3.1
85.02845	8.4
87.00747	2.3
87.04443	1.0
89.02328	4.4
93.03339	35.5
94.03677	1.8
95.01277	2.2
96.99207	3.1
97.02835	1.1
99.00778	1.5
101.02325	12.3
106.04130	2.8
107.04927	4.9
108.02051	4.1
113.02351	7.4
119.03439	1.7
119.04925	7.7
121.02824	2.0
123.02579	1.0
135.04369	1.7
136.01543	3.9
137.02353	69.8
137.05988	100.0
138.02695	3.2
138.06331	3.3
139.03938	1.1
140.87556	1.1
145.02864	4.5
147.04343	1.8
151.00269	1.8
151.03911	4.6
161.04437	2.1
166.02646	2.3
181.05046	2.4
257.08145	2.3
257.11868	11.4
258.12088	1.7
281.06668	76.7
282.07028	7.2
329.15106	1.2
389.15915	1.8
404.33795	1.1
419.13474	63.2
419.18216	3.5
420.13730	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	419.1349
Annotation	Monnieraside I
Peak:m/z	Relative Intensity
52.40382	0.6
55.01733	0.9
55.40635	0.7
57.03332	0.7
57.20275	0.6
59.01255	21.5
59.14890	0.6
61.98705	1.3
68.99677	1.1
69.39384	5.0
71.01258	12.9
72.99179	1.7
73.02815	2.2
75.00745	1.0
83.01257	2.6
85.02817	4.0
87.00761	1.5
89.02320	10.2
92.85900	0.7
92.94624	0.7
93.03342	37.2
94.03694	0.8
95.01260	2.2
96.95916	0.7
96.99204	1.1
99.00779	0.7
101.02339	7.9
101.05974	9.9
107.04888	0.9
107.90816	0.6
108.02060	2.4
109.02850	4.9
109.15044	0.7
111.00790	2.2
113.02316	4.7
115.07551	15.7
117.03400	1.7
119.03416	1.8
119.04923	9.4
121.02856	1.6
125.02346	0.8
127.96673	0.6
129.01862	0.8
135.04419	1.1
136.01563	5.2
137.02353	88.6
137.06009	2.2
138.02676	4.8
143.07050	2.9
145.02861	9.6
146.03149	1.1
146.41588	0.7
147.04454	1.1
149.02348	1.3
151.00282	0.8
151.03928	2.0
163.03941	2.7
166.02710	0.9
173.08066	0.9
179.03436	14.8
180.03822	0.8
181.05009	0.8
183.05539	1.0
205.04962	0.7
209.04611	2.3
213.05540	15.5
214.06006	1.0
227.03444	3.2
228.03795	1.8
229.04012	3.0
239.05571	8.1
255.03064	2.7
256.03397	3.1
257.03418	4.6
272.03268	0.9
284.03342	2.7
285.03741	2.4
286.03906	5.5
287.04529	1.4
307.08237	4.3
359.17517	0.9
374.07983	0.8
389.10709	1.6
404.12732	1.2
419.08878	7.8
419.13599	100.0
419.18777	6.4
420.08615	0.8
420.13943	13.2
420.19440	1.5
420.46448	0.7
442.52072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
62.87753	4.0
65.11220	4.3
70.45293	13.1
70.51536	4.0
71.01249	49.4
72.99182	7.6
85.02837	19.0
89.02321	67.3
95.05818	5.0
101.02326	33.2
109.02854	6.1
113.02324	20.5
117.75858	4.6
119.03374	31.0
123.04390	7.6
143.03380	8.2
146.03665	24.6
151.03967	5.8
161.04536	9.9
161.05951	7.7
162.64766	4.8
164.04724	12.3
169.04845	5.2
179.05521	17.8
179.07082	49.3
182.05777	5.9
191.05652	4.6
193.43484	4.0
197.08116	17.8
203.34726	4.5
252.09503	4.0
359.13553	17.2
401.09085	10.0
420.09778	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	419.2287
Annotation	Euodionoside E
Peak:m/z	Relative Intensity
57.03332	1.6
58.00474	1.4
59.01253	97.1
60.01587	1.2
61.98703	0.7
63.11184	0.5
71.01251	22.9
71.54754	0.7
72.99191	2.1
73.02831	3.2
83.01256	1.8
85.02822	6.8
85.03289	0.7
87.00763	1.7
89.02321	20.7
90.02659	0.8
95.01273	1.6
99.00747	1.0
101.02325	18.2
109.02828	1.2
113.02332	9.0
119.03386	8.7
121.02867	1.1
123.04411	24.2
124.04825	0.8
125.02312	0.9
143.03369	1.0
149.04521	0.8
151.00278	0.7
153.05486	26.4
154.05801	1.7
161.04453	1.4
164.04712	0.7
166.02625	1.8
179.05501	1.0
181.04977	2.9
183.16794	0.7
221.15329	1.0
239.16451	2.1
241.05177	1.1
257.08173	4.1
371.14700	0.8
389.16010	1.8
401.21826	5.9
402.22659	0.7
419.22836	100.0
420.23224	11.9
434.90518	0.6
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
59.01254	3.6
61.20936	0.2
61.98693	0.7
71.01254	2.4
72.99184	0.3
73.02825	0.5
83.01279	0.5
85.02820	1.2
86.03156	0.2
87.00758	0.5
88.00296	0.3
89.02331	1.3
91.45851	0.2
92.11423	0.2
93.03338	4.7
93.75427	0.2
95.01243	0.3
95.50615	0.2
97.02860	0.2
99.00758	0.2
101.02313	2.1
108.02055	8.5
109.02309	0.2
113.02357	0.7
119.03387	0.3
121.02829	0.3
136.01552	0.4
137.02347	5.9
138.01872	100.0
139.02243	3.0
149.04457	0.2
151.02719	0.3
161.04463	0.3
179.03464	0.5
218.15625	0.2
239.05537	1.1
269.04315	0.2
281.06616	2.9
282.06857	0.3
286.39679	0.2
303.96228	0.2
419.22614	1.8
420.09305	2.1
420.23068	2.3
421.09476	0.7
421.24356	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43851	0.4
53.89974	0.4
58.15388	0.5
59.01249	6.0
60.01582	0.5
61.98703	100.0
62.04853	0.4
67.89181	0.4
69.18814	4.8
71.01242	2.6
72.99179	0.4
73.02798	0.8
76.59155	0.4
81.79283	0.5
83.01279	0.5
84.84675	0.4
85.02837	0.8
89.02319	1.9
95.91974	0.4
98.20549	1.1
101.02339	2.0
109.02828	3.5
113.02332	0.7
123.04419	2.7
153.01822	5.0
175.16216	0.5
215.07205	0.6
274.29633	0.4
282.78976	0.5
297.06091	2.8
349.19629	0.4
377.18466	1.0
420.18930	0.7
421.11624	4.5
421.16220	0.9
421.20865	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	420.2755
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
56.82516	0.3
59.01250	0.7
63.32103	0.3
69.44597	0.8
69.45023	1.1
93.03312	0.6
96.50719	0.3
96.95868	0.8
121.02844	100.0
122.03175	3.7
158.90376	0.3
199.48775	0.3
217.93954	0.3
241.05156	0.4
269.04565	0.8
271.05957	0.3
273.39716	0.3
377.26749	0.3
419.67853	0.3
420.27539	50.8
421.09268	2.0
421.27905	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	421.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.9
59.01250	10.9
67.01787	0.9
68.99683	2.1
69.03334	0.9
70.56068	2.6
71.01257	18.0
73.02827	5.8
75.00752	1.3
79.08360	0.8
81.03351	1.1
83.01283	3.8
85.02824	10.3
87.00752	1.3
89.02338	3.4
90.32022	0.8
93.03342	39.5
94.03661	1.7
95.01276	9.5
96.99197	2.2
97.02846	1.2
99.00767	1.8
101.02335	15.2
107.01276	1.7
108.02060	15.7
109.02854	10.8
111.00798	1.8
113.02345	7.9
119.03402	1.1
121.02834	2.5
123.00774	92.1
123.04420	3.4
124.01578	50.3
125.02293	1.4
131.71294	1.0
136.01541	4.2
137.02348	69.2
138.03152	31.4
139.00279	2.2
139.03918	34.4
140.04202	1.5
147.04388	1.4
149.02321	2.0
150.03166	1.2
151.00322	2.1
151.03922	1.1
152.01071	3.9
153.01814	5.3
161.04492	2.0
163.04022	1.2
165.05463	1.2
166.02650	1.3
167.03381	9.2
174.55807	0.8
179.03421	1.4
179.07019	0.8
181.05072	1.6
191.03418	2.0
221.04622	1.4
238.21538	0.9
269.04886	1.1
281.06665	74.0
282.06918	5.5
297.06229	1.8
311.07800	10.5
347.11401	1.1
352.44675	1.0
406.09515	1.1
421.11465	100.0
422.07413	1.1
422.11884	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.7
59.01253	7.0
61.64259	0.6
63.02266	1.0
63.86826	0.6
68.99696	1.0
71.01261	9.0
72.29723	0.6
73.02824	2.5
79.46497	0.7
83.01251	2.4
85.02862	3.5
89.02327	1.7
93.03342	30.3
94.03689	1.0
95.01286	1.3
96.99185	1.2
97.02851	0.6
99.00764	1.0
101.02328	8.3
113.02328	3.3
121.02818	2.3
123.00807	0.6
124.01561	61.0
125.01918	2.0
136.01561	1.7
137.02351	65.6
138.02708	2.7
139.03914	100.0
140.04262	2.7
147.04411	0.9
151.03822	0.6
161.04482	1.2
163.03912	1.1
163.48521	0.6
173.81094	0.7
179.03479	1.1
201.09343	0.7
203.03377	0.7
275.01923	1.7
281.06674	92.9
282.06955	8.5
328.09482	0.7
421.11469	27.7
421.20099	1.1
422.11761	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	421.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.1
59.01255	9.8
64.76752	1.7
67.87732	1.4
68.99689	3.4
69.34099	6.5
69.34530	3.8
71.01248	8.6
73.02824	1.7
75.00739	1.6
83.01287	3.6
85.02818	7.7
87.00729	2.2
89.02332	3.0
95.01277	2.3
99.00751	4.6
101.02321	5.1
101.05970	20.1
106.79920	1.5
108.76359	1.5
109.02859	1.6
111.00769	3.6
113.02339	6.3
113.99474	18.8
115.00232	6.3
123.04362	1.6
127.00253	2.3
129.01822	1.5
137.02309	2.1
146.08194	1.3
157.01318	3.5
162.33185	1.5
174.01640	16.3
175.02327	2.3
186.97137	1.4
237.63460	1.5
238.25130	1.5
301.03531	3.1
331.04681	1.9
361.11365	14.8
377.18259	2.1
421.13492	100.0
422.13647	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	421.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00499	6.9
59.01255	87.7
70.43381	7.8
71.01259	44.5
71.33807	7.3
72.99191	11.3
73.02811	21.7
85.02816	15.0
85.48154	6.0
89.02339	22.9
89.36253	6.3
101.02322	20.4
109.02855	9.5
111.00787	9.7
113.02343	9.0
123.04405	16.7
125.02310	19.1
132.59700	6.8
145.68936	6.2
155.10698	8.2
159.61713	6.5
199.09705	12.7
207.47705	7.4
259.06238	9.1
259.15622	12.1
266.32391	6.6
301.06952	7.9
376.84332	7.1
377.18088	26.9
408.80682	7.3
421.11331	9.0
421.16437	100.0
421.21130	4.6
422.16733	16.3
422.21942	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	421.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79277	12.0
53.57537	10.4
57.03313	11.8
59.01256	76.0
59.43337	9.9
69.78562	50.3
69.78915	21.6
71.01242	53.6
71.41457	10.6
74.88970	9.5
75.00771	11.3
85.02814	15.7
89.02323	34.4
98.19942	16.2
99.00774	18.8
101.02342	19.9
119.03429	10.9
123.04385	16.9
125.02354	17.7
140.42041	10.1
188.06981	10.4
197.07837	10.2
202.03387	10.7
261.94733	13.1
267.08844	15.0
312.50125	12.4
377.18054	100.0
421.16336	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81692	0.8
59.01250	15.9
60.16251	0.6
61.98669	1.0
63.72101	0.9
71.01242	3.4
73.02805	1.7
73.04126	0.9
75.19648	0.9
80.96564	0.8
81.03334	1.2
84.26623	0.7
84.71169	0.8
85.02792	1.9
89.02309	2.1
93.03301	1.3
95.04929	1.2
97.02833	1.0
101.02310	2.7
108.02039	0.9
109.02835	7.9
111.00769	1.3
113.02267	2.4
117.03321	1.1
119.03398	1.3
119.04857	1.2
119.69655	0.8
121.02821	1.0
122.03604	0.9
123.04436	5.1
124.01559	9.2
125.02336	12.1
135.04448	1.3
136.01529	1.2
137.02344	37.2
138.03160	11.4
139.03903	16.5
140.04251	0.9
145.02800	3.8
147.04398	0.9
149.06073	1.0
150.03090	1.1
151.03925	11.8
152.04720	6.5
153.05524	4.9
159.04393	1.5
162.03107	1.8
163.03937	4.6
164.04675	2.5
165.05482	3.2
166.02591	1.7
166.06143	0.9
170.02167	1.1
175.03868	3.4
176.04707	4.3
177.05478	9.0
179.03371	3.3
180.04181	9.7
181.04985	15.2
184.03656	2.5
189.05469	2.9
190.06155	1.2
191.07083	2.5
192.07655	1.2
193.04881	1.4
194.05774	7.5
195.04791	1.6
195.06551	27.6
196.07014	1.7
205.04857	0.9
205.08607	1.1
206.05759	2.0
207.06564	6.1
209.08107	5.1
211.94537	0.9
213.05463	2.7
215.07047	1.3
221.08028	1.3
225.05467	1.1
227.03438	1.0
227.07004	2.9
228.04138	2.2
237.07631	0.9
238.08546	1.0
241.05005	8.3
242.05751	5.8
253.10751	1.4
255.02834	0.9
256.03613	1.2
257.04517	8.7
259.06113	1.4
269.04562	20.6
270.05258	9.2
271.06061	4.4
283.06097	2.4
296.03183	1.3
297.04028	4.7
299.05685	5.3
307.08224	1.5
311.05737	1.9
343.11664	1.6
361.12863	11.1
361.18491	1.4
362.13309	1.0
373.13052	1.9
375.14331	3.7
391.13965	16.7
392.14227	1.9
406.16315	34.8
407.16629	5.4
421.09491	54.2
421.18594	100.0
421.27966	2.5
422.09778	8.8
422.18942	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	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80061	0.4
55.85749	0.4
69.28533	1.1
69.28963	2.4
71.11906	0.3
71.38139	0.4
78.95773	27.9
96.95838	0.5
97.31104	0.4
98.19827	1.0
110.98415	49.9
123.33724	0.4
145.67757	0.4
152.99483	3.7
167.01094	1.0
185.02130	100.0
186.02458	2.1
253.21713	23.8
254.22052	2.1
284.01648	0.4
342.42966	0.5
421.23331	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	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	2.5
59.14552	1.5
69.43612	8.7
69.44021	2.9
72.96114	1.5
78.95778	43.7
80.96398	2.0
96.95943	2.5
110.98415	57.7
152.99515	5.7
167.01047	13.8
185.02130	100.0
199.33510	1.5
207.24966	1.6
253.21710	28.1
254.22005	2.8
339.24503	1.6
421.23547	10.6
421.29413	4.9
422.17801	2.3
422.23679	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	423.1874
Annotation	Lys-Asp-Tyr
Peak:m/z	Relative Intensity
55.01756	0.6
56.53130	0.4
57.03334	0.8
57.28105	0.4
58.00471	1.9
59.01254	72.4
60.01578	0.7
61.98715	0.6
69.73995	2.1
71.01258	24.4
71.04895	0.4
72.99186	2.5
73.02821	1.2
75.00786	0.5
82.86425	0.4
83.01265	1.7
84.02028	0.4
85.02832	4.8
87.00769	0.9
89.02319	21.1
95.01279	1.7
101.02329	14.1
102.71832	0.4
109.02864	0.7
110.02886	0.4
113.02336	8.7
119.03397	7.4
121.02863	0.5
122.03592	0.4
124.94940	0.4
125.02332	1.1
133.02753	0.5
134.03624	2.1
137.02351	0.8
139.11212	4.0
149.02373	0.4
149.04291	0.4
149.05998	1.7
151.00256	0.7
151.03859	0.7
161.02463	0.5
161.04460	0.6
163.11185	1.2
166.02611	1.1
167.07066	1.7
177.01781	0.4
179.05573	0.7
181.04990	3.1
181.12296	3.1
183.10182	3.1
192.69800	0.4
199.13307	1.2
201.11281	3.4
225.11319	3.1
243.12364	22.3
244.12724	1.2
261.13428	3.4
271.06192	4.1
286.08469	2.6
301.10858	6.8
363.16666	7.4
405.17654	3.4
406.18027	0.7
423.18738	100.0
424.19122	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	423.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98000	0.5
55.01764	6.2
55.08670	0.4
56.99740	0.4
57.03321	5.6
58.00470	4.2
59.01253	68.6
60.01586	0.9
61.98718	0.6
68.99701	0.8
69.03336	2.3
71.01257	86.8
72.01601	1.5
72.99182	6.4
73.02824	24.7
75.00758	1.1
75.57594	0.4
81.03333	0.9
82.85074	0.6
83.01263	18.0
84.01604	0.7
84.14696	0.5
85.02827	37.1
85.99964	2.2
86.03176	1.0
87.00761	5.4
89.02325	38.5
90.02673	0.6
93.34895	0.4
95.01276	4.3
96.95898	0.7
97.02849	3.6
99.00763	11.3
99.04376	0.6
101.02327	79.7
102.02676	1.9
108.21906	0.4
108.45973	0.4
109.02842	0.5
111.00760	7.7
113.02338	25.4
113.60842	0.4
114.02694	0.7
115.03915	2.0
119.03417	2.0
119.17678	0.4
125.02326	5.6
127.11188	1.6
129.01842	2.7
131.03403	30.9
132.03751	1.0
137.02333	0.6
139.00293	0.6
143.03409	5.1
149.02533	0.5
149.04463	10.7
150.85153	0.5
159.02892	4.7
160.01566	0.5
161.04475	24.0
173.04459	0.9
175.03932	0.6
187.05981	0.7
191.05528	1.1
195.02933	0.5
199.13338	0.8
205.03499	1.2
215.05576	1.6
233.06606	5.0
233.08635	0.6
260.41141	0.4
261.12711	0.5
273.17203	0.6
291.18149	100.0
292.18466	8.7
293.08646	0.6
335.17093	1.1
423.22351	50.2
424.22699	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	423.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	5.2
57.03326	4.0
57.29722	0.5
58.00475	1.1
59.01250	32.2
61.98715	0.7
69.03332	1.2
69.45291	1.1
69.45687	4.0
71.01255	52.5
72.01589	1.1
72.99170	3.3
73.02818	28.2
75.00773	1.4
81.03347	1.1
83.01259	12.2
85.02824	27.7
85.99990	2.3
86.03177	1.1
87.00755	3.3
89.02321	9.4
95.01272	4.4
96.95890	0.7
97.02814	3.1
99.00754	10.5
101.02324	51.0
102.02639	0.9
109.02852	0.6
111.00777	1.9
113.02332	20.8
115.03922	1.3
119.03403	0.9
123.04413	0.9
125.02327	3.0
125.69183	0.6
127.11207	1.0
129.01825	1.4
131.03401	2.5
134.54448	0.6
137.02444	0.5
139.00285	1.0
142.68285	0.6
143.03397	2.6
149.04456	1.3
159.02910	4.8
161.04466	21.0
173.11742	0.6
179.89835	0.6
205.03482	2.1
232.48041	0.6
233.06622	2.6
291.18137	100.0
292.18463	8.5
293.08948	0.6
335.17081	2.3
361.24066	1.1
363.21994	1.7
423.22363	55.0
424.22696	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	423.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	7.6
57.03331	6.7
58.00480	4.3
59.01254	78.9
60.01585	1.4
60.84950	0.7
65.54645	0.7
68.99677	1.1
69.03320	2.4
70.02148	2.7
71.01257	98.6
72.01604	2.2
72.99182	6.7
73.02824	30.8
74.03209	0.8
75.00750	1.4
81.03331	0.9
83.01265	20.2
85.02825	47.2
85.99968	2.8
86.03154	0.7
87.00751	5.8
89.02319	41.0
90.02654	0.9
95.01284	5.4
97.02856	4.4
97.03381	0.7
99.00771	11.4
99.86116	0.7
101.02326	87.8
102.02666	2.0
106.14589	0.9
109.02849	0.9
111.00764	8.5
111.04403	0.9
113.02337	29.0
114.02655	0.7
115.03900	1.9
119.03413	1.8
121.02798	0.8
125.02353	5.4
127.03858	0.8
129.01828	2.3
131.03406	30.1
131.18683	0.7
132.03770	1.1
143.03415	5.6
149.04489	11.0
159.02869	5.6
161.04482	28.2
162.04747	1.0
176.01088	0.9
177.01839	3.0
191.05568	1.9
205.03444	1.2
215.05544	1.3
233.06580	5.4
271.02542	1.1
276.44305	0.9
289.07520	0.9
291.18149	100.0
292.18497	9.8
335.17032	0.9
423.07220	1.3
423.22348	54.2
424.22702	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	423.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.7
57.03325	4.5
58.00480	2.0
59.01253	28.9
68.97002	0.3
68.99689	0.3
69.03329	1.5
71.01255	55.9
72.01587	0.9
72.99185	2.9
73.02821	28.1
73.73776	0.3
74.03169	0.6
75.00741	1.5
81.03330	0.4
83.01262	14.3
84.01595	0.5
85.02827	31.3
85.99982	1.9
86.03126	0.6
87.00759	2.9
89.02322	9.6
95.01267	4.5
96.95897	0.5
97.02835	2.7
99.00764	12.7
100.01128	0.4
101.02325	60.9
102.02711	1.1
103.03857	0.5
111.00784	2.6
113.02333	22.6
114.02680	0.7
115.03916	1.4
125.02345	3.0
127.11211	1.1
129.01846	2.2
129.12784	0.8
131.03395	3.4
135.04459	0.4
136.68422	0.3
137.02333	0.4
139.00217	0.5
141.01843	0.5
143.03413	3.0
144.03763	0.3
149.04475	1.4
152.84076	0.3
159.02908	5.7
161.04471	26.0
162.04828	0.6
169.30197	0.3
173.11823	0.3
177.01941	0.4
179.03400	0.4
191.05579	0.5
199.13344	0.6
205.03526	1.8
233.06616	2.1
271.02579	0.4
291.18146	100.0
292.18469	9.9
293.08926	0.6
335.17139	1.4
423.22357	46.3
424.22751	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	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88417	0.3
59.01250	0.3
64.67612	0.3
69.69131	0.8
69.69541	1.0
78.95780	13.5
80.00990	0.3
92.65468	0.3
96.20398	0.3
104.97350	0.6
105.73989	0.3
110.98420	9.9
136.99974	0.4
152.99501	0.6
157.19342	0.3
164.57927	0.3
167.01073	12.9
185.02141	2.5
255.23283	100.0
256.23636	10.4
256.26370	0.5
271.46704	0.4
290.18954	0.4
423.25183	16.3
424.25641	2.2
444.83682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	28.4
59.01247	5.8
67.01762	3.4
69.03328	3.8
70.92081	2.3
71.01257	1.9
71.04877	1.3
78.27345	1.0
80.02542	5.2
81.03303	0.9
83.01266	2.2
85.02818	14.4
93.03337	1.9
94.04131	1.0
94.53558	1.0
95.01270	2.9
95.04901	13.9
97.02834	1.6
98.03611	7.8
111.00779	9.4
114.82866	0.9
120.05693	2.5
121.06480	2.5
123.08070	1.3
138.06770	1.2
139.03879	1.0
152.04692	3.2
185.02118	1.7
187.02562	1.6
255.22986	1.9
297.28027	1.3
303.60141	1.2
307.29941	1.9
317.28494	1.8
319.30103	1.9
321.27835	4.6
333.31601	1.0
335.29517	4.6
337.31018	4.5
341.10760	1.8
351.32693	2.6
359.29501	1.4
361.31122	22.0
362.31561	3.9
379.32169	100.0
380.32471	14.5
423.31152	69.1
424.31488	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	425.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88736	3.5
59.01245	11.9
69.35634	27.8
71.01262	6.4
77.44868	3.5
85.02850	3.6
87.88029	4.0
98.20503	6.3
107.04937	3.7
108.59490	3.7
109.02837	7.2
111.04420	6.0
113.06009	4.4
119.04916	100.0
119.05730	6.9
119.26224	3.3
122.03619	6.3
125.06020	7.9
133.02855	15.6
136.05206	10.8
137.05954	4.5
138.06734	11.5
139.07570	21.8
142.54216	3.8
143.43423	3.7
148.05206	6.0
151.07544	46.3
152.04727	6.4
152.08322	17.4
153.09050	9.4
159.11655	4.6
161.02353	22.0
161.72327	4.2
163.03928	66.9
163.07527	6.1
169.84219	3.5
199.77031	3.6
201.12785	17.0
203.10692	12.1
204.11485	33.9
219.13841	38.9
245.11858	4.0
263.12863	63.1
287.13055	5.8
425.14380	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	425.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.0
57.03355	1.9
58.00476	3.0
59.01254	49.5
61.98714	2.4
71.01257	29.5
71.54728	1.4
72.99207	4.7
73.02840	1.8
75.00726	1.0
78.95811	1.3
81.03374	1.0
83.01279	1.2
83.04926	3.2
85.02824	9.5
87.00761	1.4
89.02324	28.3
91.05456	0.9
93.03356	1.9
95.01287	2.5
97.43151	0.9
99.00849	1.2
101.02324	17.4
109.02874	1.3
113.02345	11.4
117.03334	1.2
117.07018	2.4
119.03385	11.3
119.04947	1.5
119.08614	2.2
120.67625	0.9
123.78902	1.0
128.91959	0.9
130.04106	1.2
133.02794	1.3
134.03694	1.1
134.04665	1.0
135.04459	1.5
137.02356	5.0
143.03484	1.2
145.02849	5.6
145.06532	3.8
159.11702	5.2
160.01602	3.3
161.02370	2.3
161.04547	1.7
163.03935	2.2
171.08066	9.8
175.03969	3.8
179.03438	1.8
179.05481	2.0
183.11806	1.4
185.09666	4.6
186.10431	31.1
187.10793	2.8
189.12863	1.9
199.11201	4.8
201.12790	100.0
202.13121	7.0
205.05043	1.3
239.05707	1.1
245.11810	77.9
246.12238	7.8
265.07281	2.0
280.07202	1.0
305.12509	1.1
363.04779	1.0
425.18433	40.9
426.18896	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	425.182
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
51.62919	1.4
55.01748	1.5
57.03329	1.6
58.00481	3.3
59.01256	51.2
61.79745	1.3
61.98714	2.5
69.03300	1.3
69.32837	6.4
71.01256	28.5
72.99192	3.9
73.02834	2.1
75.09435	1.3
83.01282	1.5
83.04904	3.4
85.02831	8.9
87.00740	3.1
88.88032	1.4
89.02316	26.3
89.02823	1.6
93.03345	2.6
95.01257	3.0
99.04457	1.4
101.02322	18.2
110.52544	1.6
113.02325	11.9
117.03362	1.2
117.07024	2.3
117.91719	1.4
119.03402	9.7
119.08549	1.8
123.08035	1.1
125.02370	2.7
131.03445	1.7
133.02867	2.0
137.02359	7.1
143.03424	1.5
145.02846	6.8
145.06535	5.0
145.97086	1.3
149.04631	1.2
159.02997	1.2
159.11783	4.8
160.01582	2.9
161.02423	3.8
163.03972	2.9
171.08044	10.0
175.03976	4.0
179.03490	2.4
179.05415	1.6
185.09706	5.0
186.10428	29.8
186.12009	1.7
187.10808	2.8
189.12781	1.7
199.11301	3.5
201.12804	100.0
202.13109	9.0
245.11823	82.1
246.12209	8.7
265.07294	2.0
356.15540	1.2
425.18436	43.3
425.23712	2.6
426.18655	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	425.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23303	2.6
54.17650	2.4
56.25986	2.6
57.03301	5.8
59.01252	100.0
71.01257	54.9
71.42739	5.1
72.99177	6.3
75.00731	2.6
83.01238	8.8
83.04885	2.5
85.02822	11.5
86.71574	2.8
87.00721	3.7
89.02319	67.8
91.78283	2.9
93.03336	4.5
101.02322	27.1
104.62939	2.8
107.04892	3.8
109.02826	17.8
109.99895	2.9
111.33952	2.3
113.02290	19.5
119.03394	26.4
123.04399	9.8
125.02332	15.5
133.02821	4.1
137.02353	29.1
138.02618	2.8
149.02354	8.0
149.04466	2.5
151.03903	19.7
159.04460	2.8
161.02301	6.1
161.04413	6.7
163.03862	5.2
175.03918	17.6
177.01837	8.0
179.05513	25.7
185.06029	2.9
187.03940	10.3
191.05499	8.3
199.04027	3.3
205.05064	4.1
229.04997	5.6
243.02812	4.7
255.03070	15.5
256.03705	6.6
273.03970	7.8
281.04526	4.9
339.08765	6.6
342.67084	3.2
371.87650	2.7
407.07791	44.9
408.08005	8.8
425.08911	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	427.1611
Annotation	Rosavin
Peak:m/z	Relative Intensity
54.84411	0.4
55.01752	1.7
57.03323	1.3
58.00460	3.1
59.01251	77.1
59.63472	0.4
60.01582	1.0
65.80589	0.4
69.03333	8.2
69.39520	0.7
69.39922	2.8
71.01254	81.1
71.04896	0.4
72.01597	1.1
72.99188	3.6
73.02820	14.5
74.03116	0.4
75.00745	3.3
79.01778	0.5
81.03335	4.7
83.01262	6.5
85.02825	9.5
85.03336	0.5
87.00744	2.8
89.02319	100.0
90.02655	1.6
93.03362	0.6
95.01270	2.8
97.02352	0.3
97.02833	13.0
99.00760	17.5
99.04405	2.6
101.02328	17.2
102.02640	0.7
107.01233	0.8
109.02850	0.8
111.00752	2.3
113.02333	9.6
115.03900	7.7
119.03397	2.1
123.00762	0.7
123.04439	1.1
124.77293	0.5
125.02341	52.2
126.02657	2.0
127.03919	1.2
131.02455	0.8
131.03404	11.9
131.04907	1.0
132.02052	4.2
132.03673	0.6
132.05692	2.4
133.02852	1.0
133.06491	56.5
134.03661	3.4
134.06819	3.3
135.04312	0.4
137.02342	0.9
143.03416	4.7
145.04933	0.4
147.04448	0.5
149.04468	13.0
153.05380	0.5
155.03369	0.6
160.01572	24.0
161.02127	1.3
161.04459	3.3
173.04480	0.8
175.03925	26.5
176.04259	1.6
178.02492	0.5
191.05528	7.4
193.04968	3.5
200.67426	0.5
215.05528	1.0
215.53087	0.4
223.13428	0.7
233.06631	40.1
234.06880	1.9
293.08801	32.0
294.09152	2.7
427.16071	19.4
428.16650	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87808	0.3
59.01253	100.0
60.01596	1.1
61.98680	0.4
70.04659	0.3
70.60580	0.3
71.01257	1.3
71.54659	0.4
85.02842	1.1
89.02334	0.8
94.79387	0.3
97.02920	0.3
99.64720	0.3
100.62592	0.3
101.02336	0.4
108.94334	0.3
113.02354	0.6
113.35446	0.3
121.02846	8.3
145.02962	0.3
148.05197	5.2
161.06062	0.3
162.03171	0.4
163.07567	7.1
191.02028	0.3
197.23769	0.3
205.12346	1.1
235.08241	0.3
279.31863	0.3
285.63916	0.3
395.83798	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87808	0.3
59.01253	100.0
60.01596	1.1
61.98680	0.4
70.04659	0.3
70.60580	0.3
71.01257	1.3
71.54659	0.4
85.02842	1.1
89.02334	0.8
94.79387	0.3
97.02920	0.3
99.64720	0.3
100.62592	0.3
101.02336	0.4
108.94334	0.3
113.02354	0.6
113.35446	0.3
121.02846	8.3
145.02962	0.3
148.05197	5.2
161.06062	0.3
162.03171	0.4
163.07567	7.1
191.02028	0.3
197.23769	0.3
205.12346	1.1
235.08241	0.3
279.31863	0.3
285.63916	0.3
395.83798	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01601	1.0
70.94501	0.6
71.01265	1.0
73.02827	0.3
74.61668	0.3
77.07713	0.3
89.02304	0.4
93.73892	0.3
96.95914	0.3
99.04388	2.0
101.02379	0.3
113.02308	0.4
122.41673	0.3
137.02365	0.6
148.05212	7.7
149.05721	0.3
160.01550	0.3
163.07556	7.9
163.08932	0.4
164.04762	1.0
164.07913	0.6
179.07037	1.0
182.69928	0.3
211.21617	0.3
214.01854	0.3
239.31120	0.3
259.04480	0.3
333.66208	0.3
427.17807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1972
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
55.01758	2.1
57.03317	3.0
58.00477	1.9
59.01253	29.7
60.01582	0.6
61.98719	0.6
71.01255	24.5
71.54320	0.6
71.54690	0.5
72.99183	2.3
73.02823	4.5
75.00770	0.8
83.01256	3.8
85.02827	13.3
85.16547	0.5
87.00745	2.0
89.02317	13.5
89.02833	1.1
95.01272	2.3
96.95885	0.9
99.00761	2.1
101.02324	21.7
102.02670	0.7
109.02853	0.6
111.00726	1.0
111.04387	0.6
113.02338	8.9
119.03400	6.2
121.02790	0.6
129.01764	0.7
133.06494	0.9
135.04405	1.0
137.02351	1.4
138.01874	0.8
138.56094	0.6
143.03380	0.8
156.10175	0.7
158.11772	0.9
161.04482	1.5
165.03291	0.5
165.05505	1.4
179.05510	0.9
181.04944	2.8
191.56628	0.5
195.06583	0.6
203.14227	0.7
205.11945	0.7
221.15382	2.4
247.13510	0.7
265.14404	1.0
312.18259	1.6
320.45547	0.6
427.19727	100.0
428.14276	0.7
428.20056	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	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14273	1.2
59.01251	100.0
61.98673	1.2
71.01253	1.7
71.11558	1.2
88.31647	1.1
91.03884	3.2
110.05491	1.1
116.76379	1.2
126.56719	1.1
275.20242	1.3
293.21228	11.8
311.22403	5.4
313.24493	1.2
427.26758	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	427.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06183	1.0
59.01254	100.0
61.98700	2.1
65.24658	0.9
66.36056	0.9
69.23611	0.9
70.10302	4.2
81.56863	1.2
84.18229	1.0
86.49338	1.0
91.03883	2.1
98.19853	1.5
146.48325	1.0
177.01598	1.1
232.99225	1.1
293.21265	12.8
338.79065	1.2
370.09918	1.2
427.25320	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57642	0.8
55.01760	1.3
57.03325	0.8
59.01255	21.0
60.08917	0.8
60.26850	0.8
61.98698	1.7
65.97615	0.8
69.59837	3.2
71.01258	15.9
72.99174	3.1
73.02826	4.9
75.00737	1.2
83.01256	3.9
83.94730	0.7
85.02827	8.7
87.00735	2.8
89.02328	6.2
91.01752	1.8
92.74461	0.8
92.81415	0.7
93.03274	0.9
95.01239	1.3
99.00752	1.5
101.02320	11.9
107.04892	1.7
109.02852	0.9
113.02325	5.7
117.03391	1.1
119.01245	5.0
119.03433	1.9
121.02849	4.8
123.04402	1.8
125.02425	0.9
129.55640	0.9
133.02844	1.4
134.03629	2.0
135.04419	4.5
137.02345	1.8
137.05966	0.8
145.02904	0.8
147.00783	5.4
149.02350	11.3
151.03920	1.2
152.01015	2.4
153.05429	0.9
159.02954	1.1
159.10153	0.8
161.02327	4.3
161.04457	3.0
163.03929	4.1
164.04709	9.5
165.01837	2.3
169.05022	1.1
175.00291	36.4
176.00548	1.1
177.01895	2.0
179.03407	0.9
179.05568	1.2
179.07047	5.4
181.05011	2.4
190.02644	87.3
191.03056	5.7
205.05008	100.0
206.05359	8.7
207.02899	1.4
208.03687	1.5
209.04468	2.7
219.34991	0.7
223.06104	15.8
223.08136	1.4
223.13339	4.7
267.12347	2.7
399.09235	1.5
414.11673	3.5
429.13989	71.7
430.14255	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	429.1402
Annotation	Shermilamine C
Peak:m/z	Relative Intensity
53.48752	0.3
55.01776	0.3
57.03327	0.4
57.19254	0.3
58.81549	0.3
59.00988	0.5
59.01254	6.4
60.22844	0.4
64.85548	0.4
68.49842	0.3
69.84415	1.5
71.01254	5.3
71.01618	0.5
72.17200	0.3
72.99177	1.0
73.02814	1.6
75.00735	0.4
80.77663	0.4
83.01261	1.0
85.02823	2.7
87.00743	0.6
89.02309	2.2
93.03321	0.5
95.01272	0.7
99.00763	1.1
101.02329	4.3
105.03376	0.5
105.05453	0.4
113.02321	2.3
117.03355	1.1
119.03392	1.0
121.02840	0.7
123.04424	0.7
125.02325	0.6
132.02084	1.3
133.02850	33.1
134.03235	1.2
135.04425	8.5
137.02356	1.4
145.02888	0.4
159.02972	0.4
161.02353	100.0
162.02681	5.5
163.03966	0.5
164.04843	0.4
177.01898	0.4
179.03426	4.1
180.03691	0.4
181.05003	0.4
207.06564	0.8
221.04501	0.4
278.33057	0.3
281.06659	0.5
309.11969	0.4
356.40396	0.3
429.13986	67.5
430.14349	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	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75909	1.1
57.03316	3.5
58.63900	1.1
59.01253	100.0
59.88571	1.1
61.98691	1.4
70.68010	1.5
70.68335	1.9
71.01257	21.1
72.99186	1.4
73.02829	4.7
77.90322	1.1
83.01269	2.9
83.04891	2.0
85.02822	6.0
87.00746	5.4
88.37405	1.1
89.02322	18.4
91.19726	1.1
97.06496	5.3
98.59621	1.1
99.00728	1.3
101.02323	13.0
101.05989	2.3
103.03945	1.7
106.04144	1.4
107.04924	12.4
113.02335	9.3
119.03410	6.3
120.05727	2.3
121.06501	2.9
123.04412	11.4
124.00237	1.1
125.02364	2.0
131.03419	1.9
135.04422	4.0
151.76416	1.1
153.05504	15.9
159.11612	1.3
161.04518	3.4
161.05913	1.1
161.09645	9.9
161.13277	4.8
163.11189	2.1
165.05566	1.4
179.05487	1.3
184.55655	1.1
187.11205	12.7
189.09222	5.8
194.02139	1.3
203.10684	2.4
205.12321	6.3
207.10197	3.9
223.13362	71.0
224.13657	3.5
229.12350	2.3
249.11374	5.5
267.12378	54.4
268.12747	4.6
291.12299	1.3
297.13556	2.8
429.17444	9.9
430.17886	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	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.1
57.03325	2.0
58.00465	4.5
59.01250	100.0
60.01602	1.0
68.99706	0.5
69.03335	1.6
71.01254	51.0
71.04900	0.5
72.01588	0.9
72.99181	5.0
73.02819	15.7
75.00755	1.0
78.21635	0.3
79.05262	0.3
80.14346	0.4
81.77390	0.3
83.01260	3.2
83.67886	0.3
84.02051	0.4
85.02821	18.2
85.99992	2.0
86.00459	0.4
87.00750	11.6
87.04383	4.2
89.02316	56.0
90.02687	1.1
95.01263	3.2
97.02835	0.7
99.00742	1.1
99.04407	0.6
101.02323	46.4
102.02650	1.0
103.03887	12.5
104.04171	0.4
113.02329	20.6
114.02662	0.7
115.03895	7.2
119.03390	29.2
120.03705	1.1
125.02323	1.3
127.03914	1.5
131.02475	0.7
131.03401	12.7
132.03712	0.5
143.03404	21.2
144.03712	0.8
145.04988	4.6
149.04430	1.2
161.04431	4.9
163.06029	34.9
164.06355	1.2
172.62660	0.4
179.05540	5.9
195.99200	0.5
205.07109	33.8
206.07407	1.5
247.08203	7.1
248.08318	0.5
426.83957	0.4
429.11972	0.6
429.17624	12.0
430.17944	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.9
58.00466	1.2
59.01250	100.0
60.01589	1.3
61.98695	0.7
69.25310	2.6
71.01251	21.8
72.01611	0.5
72.99193	1.4
73.02824	2.0
83.01244	1.5
85.02826	4.3
87.00762	2.6
87.04385	0.3
89.02316	29.8
90.02620	0.4
95.01277	1.2
96.96804	0.3
97.02860	0.6
97.06498	0.7
98.02355	0.5
99.00771	1.0
101.02322	11.9
101.05968	1.0
102.02641	0.3
103.03922	0.3
103.05445	0.6
106.04145	0.6
107.04926	1.6
113.02332	9.1
115.07555	1.1
119.03388	9.4
120.50039	0.3
121.06496	1.4
123.04420	2.6
125.02367	0.6
131.03387	1.7
135.04460	0.7
139.03952	0.6
143.03369	2.2
149.04475	1.0
153.05450	3.3
161.04475	3.6
161.09634	1.2
161.13322	0.9
165.05513	1.0
179.05528	5.9
187.11264	1.5
188.11661	0.3
189.09203	0.4
189.12852	0.5
205.12265	0.6
206.47655	0.3
207.10266	0.6
223.13333	7.9
224.13832	0.6
249.11256	1.0
258.38663	0.3
267.12360	7.4
267.15384	0.4
268.12683	0.7
297.13333	1.6
298.64282	0.3
298.80438	0.3
429.16995	1.9
430.18304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23899	0.3
57.03311	0.4
58.00472	0.9
59.01252	100.0
60.01585	1.3
61.98713	0.5
69.03323	0.3
69.41354	1.2
69.41766	0.6
71.01256	20.2
72.01595	0.6
72.99185	1.3
73.02831	1.1
83.01269	0.7
85.02824	2.6
87.00768	1.3
89.02319	28.4
90.02663	0.7
93.48528	0.3
95.01292	1.1
97.02843	0.5
97.06465	0.3
98.03048	0.3
98.19730	0.5
99.00787	0.4
101.02325	9.7
101.05968	0.3
102.02672	0.3
105.74680	0.3
107.04886	0.3
113.02335	8.6
114.02718	0.3
115.07529	0.4
118.31300	0.3
119.03397	9.7
120.03809	0.3
120.45556	0.3
121.06524	0.5
123.04435	0.3
125.02341	0.5
131.03394	1.7
135.04384	0.4
139.03937	1.1
143.03444	2.2
149.04478	1.1
161.04466	2.7
161.09604	0.4
165.05473	0.4
167.41858	0.3
179.05534	5.6
180.05865	0.3
187.11302	0.4
189.12906	0.6
223.13318	1.8
249.11504	0.3
256.56757	0.3
267.12329	1.8
297.13483	1.0
429.17355	0.9
429.22287	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	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97051	0.3
58.00476	0.8
59.01253	100.0
60.01594	1.3
62.95850	0.3
69.32864	2.6
71.01256	15.1
72.99197	0.7
73.02811	0.9
74.99738	0.4
83.01263	0.7
84.57682	0.3
85.02821	2.2
87.00772	0.8
87.84147	0.3
89.02320	22.8
95.01292	0.6
99.04391	0.5
101.02329	7.7
113.02341	6.1
119.03391	7.6
131.03400	0.9
139.04008	0.4
143.03421	2.3
146.69109	0.4
149.04491	0.6
161.04497	1.5
179.05527	3.3
207.10243	0.5
219.01791	0.3
223.13380	2.3
224.13625	0.4
267.12451	1.4
267.15378	0.3
309.13657	0.4
441.85007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Dendroside F
Peak:m/z	Relative Intensity
50.35031	0.2
52.31588	0.2
55.01751	0.2
57.03324	0.7
58.00468	1.0
58.20916	0.2
59.01252	100.0
60.01594	0.9
61.98707	0.7
65.85864	0.2
67.12330	0.2
71.01256	9.3
71.54487	0.3
72.66693	0.2
72.99179	1.5
73.02833	0.9
78.26567	0.2
83.01263	1.2
85.02829	1.9
87.00762	0.6
89.02317	11.3
95.01276	0.5
96.95938	0.4
97.02872	0.3
99.00774	0.4
101.02325	9.5
102.02718	0.3
108.02042	0.3
113.02342	3.3
119.03389	6.1
125.05996	0.3
131.03429	0.5
137.02408	0.3
143.03429	0.9
146.84445	0.2
149.04456	0.3
158.88304	0.2
159.02875	0.3
161.04425	2.0
165.12794	1.0
179.05553	2.6
203.14467	0.3
207.13844	3.3
219.13963	0.8
221.15454	1.1
223.13365	0.5
227.03445	0.5
231.13931	0.7
249.14983	1.3
255.02959	0.5
267.12546	0.5
267.15823	0.2
282.69232	0.2
284.03613	0.2
285.04053	0.8
329.08109	0.2
369.15408	0.3
369.19287	1.5
370.19449	0.3
429.08359	0.4
429.20993	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03867	0.4
56.08760	0.5
59.01253	100.0
60.01589	1.4
61.05653	0.4
68.73839	0.4
71.01251	7.1
71.53930	0.4
72.99195	0.5
73.02840	0.5
73.24326	0.4
75.69816	0.4
83.01250	0.7
84.79044	0.4
85.02827	1.4
87.00784	0.6
89.02319	10.2
93.03363	0.5
95.01275	0.5
101.02322	3.3
113.02323	3.3
119.03371	3.8
131.03423	0.4
143.03458	0.6
161.04536	0.8
179.05568	1.6
179.08678	0.5
202.43521	0.4
223.13402	0.7
235.01416	0.5
255.02895	0.4
401.77740	0.5
429.20609	0.6
429.25848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00814	0.3
54.09003	0.3
56.63100	0.3
57.03341	0.4
58.00471	0.4
59.01254	100.0
60.01596	1.4
61.34998	0.3
69.34678	1.1
69.35101	1.2
71.01258	9.9
71.31055	0.3
72.99191	0.7
73.02827	0.7
76.81777	0.3
83.01289	0.5
84.48915	0.3
85.02840	1.5
87.00761	1.0
89.02321	16.0
90.31112	0.3
95.01287	0.5
101.02325	5.4
108.55076	0.3
113.02345	4.0
119.03397	5.7
125.02367	0.9
131.03410	0.9
143.03442	1.5
144.89267	0.3
149.04475	0.4
161.04494	1.2
179.05525	2.6
187.11212	0.8
205.12161	0.3
223.13339	3.0
235.40211	0.3
238.26740	0.3
249.11520	0.4
267.12531	1.6
267.15308	0.3
268.65933	0.4
274.00479	0.3
297.13538	0.8
309.13370	0.5
325.81033	0.3
339.14417	0.4
369.15433	1.7
429.17694	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	429.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45955	1.3
51.64080	1.5
59.01252	100.0
61.98695	2.5
66.34699	1.5
71.01241	3.8
72.94337	1.4
73.46734	1.6
83.30727	1.7
85.02811	2.7
89.02328	3.0
91.03876	2.8
98.19848	4.8
99.88515	1.6
101.02322	2.1
201.14297	1.7
238.59938	1.4
295.22797	10.1
296.23111	1.9
429.31796	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48383	1.1
59.01253	100.0
64.73862	1.1
71.01258	2.5
71.53513	1.2
87.00727	1.3
89.02319	2.5
95.91969	1.3
111.04145	1.1
140.52118	1.3
146.64981	1.2
205.99405	1.3
237.08289	1.1
277.21948	1.2
295.22760	9.5
296.23108	1.4
347.24072	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	431.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11518	0.2
59.01251	1.0
63.02255	0.5
65.00198	0.4
69.38860	1.6
83.01268	0.4
91.01755	0.4
93.03349	1.7
107.01279	1.8
109.02834	0.8
114.33036	0.2
117.03368	0.6
119.01337	0.2
119.45784	0.2
123.00821	0.2
125.02354	0.3
131.04875	0.2
132.02072	0.9
135.00754	1.3
137.02359	0.3
141.07025	0.2
143.04893	0.8
145.02837	0.4
151.00267	1.2
153.01840	0.7
155.04964	0.4
156.05699	0.2
157.06459	0.6
159.04407	1.4
163.00267	2.7
164.01065	0.2
165.01839	0.5
167.04904	0.5
169.06535	1.0
171.04355	0.9
173.05940	0.3
178.99771	0.3
182.03647	0.5
183.04501	1.5
184.05202	0.4
185.02351	0.5
185.05998	2.1
187.03914	3.1
189.05457	0.7
190.99777	0.3
195.04443	0.7
196.05154	0.3
197.05969	1.1
198.03043	0.2
199.03958	1.3
200.04700	0.2
201.05478	0.7
211.03931	3.2
212.04448	0.4
213.05470	2.0
214.02606	0.3
223.03992	0.3
227.03452	57.4
228.03833	4.9
229.05013	12.3
230.05359	0.7
239.03427	2.0
240.04214	1.1
241.04985	1.7
243.02988	0.5
243.91205	0.2
255.02971	82.7
256.03506	13.1
257.04526	7.2
258.04831	0.7
267.03113	1.0
268.03415	0.3
283.02429	0.5
284.03259	76.3
285.04010	100.0
286.04382	8.0
327.05161	0.6
408.58139	0.2
431.09814	48.3
432.10187	5.9
432.15002	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	4.7
58.00478	3.4
59.01253	93.9
61.98712	18.5
69.03308	2.3
70.32555	1.5
71.01256	77.1
72.99194	8.7
73.02818	22.0
81.03368	1.6
83.01258	4.4
85.02843	12.2
87.00743	5.6
89.02320	100.0
93.03323	2.6
95.01272	2.2
96.95882	2.1
97.02846	1.5
99.00755	24.5
101.02324	38.8
106.90868	1.8
107.04893	1.7
109.02876	1.6
113.02348	14.9
115.12925	1.6
119.03426	13.8
119.04897	19.9
121.02852	3.5
122.03621	2.7
123.04427	9.7
125.02347	26.0
131.03404	17.0
136.97188	1.7
137.02359	5.0
137.05974	2.0
139.03897	2.6
143.03401	2.4
145.04779	1.6
149.02509	2.2
149.04474	48.9
149.70422	1.5
151.03914	7.2
161.02357	3.3
161.04454	4.9
163.04012	1.7
164.01082	2.4
169.04985	6.2
177.01901	2.3
179.05484	2.1
181.05035	3.6
191.05547	14.8
197.64656	1.8
205.05013	2.6
207.02869	2.8
225.09299	2.6
243.02991	1.6
269.04291	2.0
289.07178	3.5
299.11395	7.8
333.89597	1.7
347.47607	1.7
431.15500	61.2
432.15805	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	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
59.66145	0.6
60.01591	0.9
61.98710	1.4
63.08403	0.6
71.01268	3.1
71.49206	0.6
71.49545	0.5
73.02795	0.6
83.01244	0.8
85.02857	0.9
87.00826	0.5
89.02370	0.9
101.02352	1.7
109.02863	1.1
109.10368	0.7
113.02363	0.8
115.00285	2.5
118.81907	0.6
123.04419	1.4
125.02339	3.8
133.01312	2.5
135.45918	0.5
137.02394	1.1
138.05580	0.8
151.03909	1.8
161.02376	4.3
161.04512	0.9
169.01427	1.2
176.04774	2.4
179.03435	6.3
191.07114	0.9
194.05806	4.8
209.08147	18.3
209.10022	1.2
210.08496	1.4
239.46397	0.6
269.10303	0.6
280.14337	0.6
285.04041	0.7
289.07370	1.4
431.11469	0.9
431.16376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.156
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
57.03316	4.7
58.00478	3.4
59.01253	93.9
61.98712	18.5
69.03308	2.3
70.32555	1.5
71.01256	77.1
72.99194	8.7
73.02818	22.0
81.03368	1.6
83.01258	4.4
85.02843	12.2
87.00743	5.6
89.02320	100.0
93.03323	2.6
95.01272	2.2
96.95882	2.1
97.02846	1.5
99.00755	24.5
101.02324	38.8
106.90868	1.8
107.04893	1.7
109.02876	1.6
113.02348	14.9
115.12925	1.6
119.03426	13.8
119.04897	19.9
121.02852	3.5
122.03621	2.7
123.04427	9.7
125.02347	26.0
131.03404	17.0
136.97188	1.7
137.02359	5.0
137.05974	2.0
139.03897	2.6
143.03401	2.4
145.04779	1.6
149.02509	2.2
149.04474	48.9
149.70422	1.5
151.03914	7.2
161.02357	3.3
161.04454	4.9
163.04012	1.7
164.01082	2.4
169.04985	6.2
177.01901	2.3
179.05484	2.1
181.05035	3.6
191.05547	14.8
197.64656	1.8
205.05013	2.6
207.02869	2.8
225.09299	2.6
243.02991	1.6
269.04291	2.0
289.07178	3.5
299.11395	7.8
333.89597	1.7
347.47607	1.7
431.15500	61.2
432.15805	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	431.2202
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.08211	0.2
57.07190	0.2
58.77115	0.2
59.01248	3.1
61.98692	0.5
62.96276	0.3
71.09527	0.4
78.95776	53.3
96.95879	0.4
96.96845	6.8
110.61581	0.3
120.02648	0.2
128.29190	0.2
150.97931	1.5
152.99493	100.0
153.99811	2.3
171.00575	4.0
277.21655	0.8
285.03918	0.4
364.16321	0.3
375.37778	0.3
431.09616	0.5
431.21985	5.2
432.22406	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.22
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91189	0.3
59.01258	4.3
70.22044	1.4
71.01251	0.5
78.95779	75.4
88.98671	0.7
89.02306	0.6
96.96846	5.9
101.02328	0.5
149.05937	0.5
150.97910	1.4
152.99496	100.0
153.99835	1.3
154.06720	0.4
171.00575	2.2
211.04424	0.4
239.85657	0.4
277.21667	0.9
285.04071	0.9
431.22037	10.3
432.22598	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.2
57.03315	0.4
59.01252	100.0
60.01592	1.1
61.98708	0.7
64.04143	0.2
65.66846	0.2
66.75041	0.2
67.36412	0.3
69.31755	0.5
69.32164	1.7
71.01255	4.6
73.02821	1.5
83.01278	0.6
85.02835	1.5
89.02324	1.8
95.01270	0.3
99.00761	0.8
101.02332	2.9
101.05957	0.3
113.02322	1.9
119.03424	0.7
125.02322	0.4
143.03453	0.3
159.02979	0.5
159.04410	0.2
161.02443	0.4
161.04495	3.4
163.00241	0.3
176.04779	0.3
179.05632	0.3
196.73512	0.2
199.61005	0.3
211.03983	1.1
227.03459	4.3
228.03938	0.5
229.05075	0.8
239.03539	1.1
255.02951	5.3
256.03412	1.1
257.04688	0.6
265.09302	0.3
268.03809	0.4
269.04483	0.4
269.14047	0.4
284.03265	4.9
285.04041	8.0
286.04593	0.8
293.11786	0.2
357.13284	0.4
371.20752	3.4
372.21475	0.4
415.19910	0.4
428.88623	0.3
431.09766	5.2
431.22949	1.1
432.09949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32523	0.3
54.42768	0.3
55.01757	0.4
57.03305	0.4
59.01252	100.0
60.01580	1.1
63.47050	0.3
70.83913	0.5
71.01255	6.0
73.02823	2.1
83.01270	0.9
85.02827	2.4
87.00754	0.4
89.02316	2.3
94.84869	0.3
95.01273	0.4
96.99532	0.3
99.00772	0.8
101.02323	5.3
101.05973	0.5
111.08091	0.4
113.02319	2.7
119.03444	1.1
128.82703	0.3
143.03444	0.5
152.37961	0.3
153.81352	0.3
161.04465	4.3
179.05591	0.6
181.12309	1.1
189.50974	0.3
227.03471	2.7
229.05176	0.5
255.03000	3.3
256.03683	0.8
257.04770	0.4
284.03299	3.2
285.04004	5.9
286.04587	0.7
353.19891	0.5
371.20712	4.4
372.21307	0.5
394.04153	0.4
431.09912	3.3
431.23236	4.4
432.10864	0.6
432.23727	0.5
454.48123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.4
57.03318	0.4
58.00468	0.6
59.01253	100.0
60.01589	1.2
61.98720	1.0
69.33875	1.3
69.34310	1.7
71.01257	7.4
72.30862	0.4
72.99184	0.7
73.02827	1.7
83.01273	1.0
85.02824	3.1
87.00774	0.8
89.02323	4.6
89.02823	0.4
97.02862	0.5
99.00793	0.9
101.02316	7.0
101.02917	0.6
101.06040	0.4
113.02328	2.9
119.03403	5.7
125.02326	0.5
143.03413	0.8
146.21078	0.4
159.02956	0.6
161.04468	4.4
162.95601	0.4
165.12724	2.0
179.05528	1.1
191.14413	1.5
203.10730	0.6
209.15460	0.9
227.03519	1.2
231.13895	0.8
255.03084	1.3
256.03467	0.5
257.15555	0.9
275.16635	1.3
284.03421	1.3
285.03937	2.7
287.22372	0.9
293.17651	0.6
324.43237	0.4
327.18268	1.8
353.19745	0.8
371.20831	3.1
431.10092	1.2
431.22974	4.8
431.27469	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	432.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.8
58.91191	1.4
59.01254	100.0
60.01590	2.0
61.98705	95.7
69.96452	1.4
70.02914	4.2
70.03315	3.3
71.01262	16.8
73.02821	8.6
79.85993	1.6
81.55830	1.4
83.01257	3.3
85.02831	8.3
89.02332	10.1
91.08434	1.4
95.01283	1.9
98.19802	3.0
101.02321	13.6
105.04395	1.9
113.02341	10.0
115.00313	1.7
117.03321	8.2
118.03687	3.9
119.03378	5.0
119.04901	4.2
120.14388	1.4
120.99553	1.8
123.04403	7.8
124.04749	3.4
125.02325	6.3
131.03418	2.3
133.01370	1.4
139.11208	2.6
145.02856	29.5
145.03922	2.7
145.40634	1.4
146.03185	18.4
151.00291	5.7
161.04477	6.2
163.03963	2.3
174.03125	2.2
178.99780	1.8
179.05539	2.7
183.10199	9.6
186.03220	4.0
201.01897	1.9
202.02655	2.3
214.02693	5.2
215.03336	2.4
229.01430	3.5
230.02048	2.1
232.79616	1.7
241.01358	9.8
242.02107	9.8
243.02937	3.8
253.05014	2.0
255.02977	2.6
258.01593	3.1
259.02612	2.3
267.10803	4.2
271.02515	5.5
286.01178	21.3
287.01859	9.0
300.02652	10.0
301.03549	3.6
307.08194	5.4
308.08572	8.9
340.49936	1.5
375.98642	2.0
432.14148	9.5
433.07611	45.7
433.12869	2.6
433.24371	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	432.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.6
57.03326	0.9
58.00476	1.4
59.01251	38.3
60.01586	0.7
61.01674	0.6
61.98703	100.0
71.01254	28.1
72.01569	0.5
72.99195	1.9
73.02826	6.8
75.00726	0.5
77.07947	0.4
83.01272	1.7
85.02827	5.4
87.00787	1.4
89.02320	33.5
92.89233	0.4
95.01286	1.3
96.95865	0.5
97.02835	0.9
99.00758	7.3
101.02325	16.1
109.02850	1.1
111.00737	0.4
111.54699	0.4
112.99922	0.5
113.02332	7.0
115.03909	0.6
119.03388	5.8
123.04444	2.0
125.02363	1.9
131.03403	6.1
143.03433	1.2
149.02545	0.5
149.04463	14.0
153.05482	3.1
159.03018	0.5
161.04468	2.3
173.36537	0.5
175.03984	0.5
179.05589	2.1
189.62918	0.5
191.05545	4.3
196.44028	0.6
199.41014	0.5
206.02225	1.0
209.06067	1.1
210.06401	1.5
221.04549	1.5
227.03423	1.0
227.07130	0.6
228.03827	0.6
228.07442	1.0
255.03058	1.2
256.03262	1.0
285.03964	1.0
286.04245	0.9
300.02594	1.0
301.16577	3.5
332.71713	0.5
432.10248	1.3
432.22876	0.9
432.65485	0.5
433.20871	4.4
457.77975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86709	0.3
59.01252	5.9
63.02259	0.6
65.00192	1.4
71.01276	0.6
83.01262	0.8
89.02318	0.4
89.80715	0.4
91.01752	0.4
93.03323	0.5
107.01277	2.8
108.02065	2.4
109.02847	1.5
115.70869	0.3
119.01357	0.4
121.02804	2.0
123.00748	0.5
135.00758	1.4
135.20097	0.4
135.82338	0.4
139.03870	0.4
148.01587	2.6
151.00272	8.5
152.00908	0.4
163.00272	3.2
164.01027	1.5
165.01793	0.4
169.01360	0.6
171.04283	0.4
178.99803	3.2
183.04320	0.4
187.03862	0.6
190.99770	0.6
192.00461	0.6
198.03040	0.5
199.03931	1.6
200.04701	0.4
202.02736	0.4
203.03467	0.7
211.03964	1.7
215.03450	0.9
216.04224	0.7
226.02658	2.8
227.03491	4.8
229.04988	0.4
239.03561	0.6
243.02963	19.5
244.03287	1.8
245.04515	1.5
254.02213	2.1
255.02982	38.1
256.03345	3.4
271.02484	87.4
272.02893	10.8
273.03983	0.7
283.02435	0.6
296.94617	0.4
299.01837	2.0
300.02747	100.0
301.03409	29.4
302.03912	2.0
343.04620	0.5
433.07736	67.0
434.08081	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	433.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13494	0.7
59.01251	30.0
60.89077	0.6
63.02285	0.6
69.39671	2.0
69.40099	3.0
71.01260	2.6
85.02825	1.2
89.02308	2.4
89.37131	0.6
93.03354	0.9
101.02340	1.6
107.01244	0.7
113.02351	0.8
119.03397	0.8
133.85094	0.7
135.00661	0.8
151.00247	0.9
153.00595	0.7
161.04485	1.3
163.00314	1.5
164.00661	0.7
165.00713	0.8
167.04988	0.8
169.06464	0.8
179.05446	1.0
183.04391	1.0
185.06020	1.1
186.06432	0.9
187.03891	1.3
187.06717	1.0
189.04550	0.9
196.04878	0.8
199.03847	0.9
199.06540	1.0
211.03995	1.5
212.04260	0.9
215.06018	0.9
227.03450	20.8
228.03804	17.7
229.03941	21.9
230.05545	3.2
231.05602	3.9
240.03885	0.8
241.04259	0.8
242.05368	0.7
255.00262	1.1
255.02974	25.3
256.03329	25.7
257.03531	41.4
258.04343	5.9
259.05139	3.0
271.19101	1.3
284.03271	20.5
285.03860	51.9
286.04074	77.9
287.04590	84.6
288.04868	4.3
373.22406	1.4
433.10403	100.0
434.10538	8.6
442.21567	0.9
444.88669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.0
59.01250	22.4
59.67068	1.0
61.98710	1.1
63.02261	3.9
65.00194	12.1
69.03310	1.1
71.01252	13.9
71.49830	1.5
72.99141	1.1
73.02827	3.5
81.03330	3.2
83.01262	10.6
85.02815	5.6
87.00763	2.0
89.02314	5.4
93.03333	8.3
95.01270	3.8
95.04924	0.8
97.02842	2.9
99.00759	1.8
99.04374	1.0
101.02325	10.0
105.03390	1.2
107.01277	21.0
108.02074	2.8
109.02834	6.6
113.02319	3.5
117.03346	2.2
119.03387	3.4
119.04919	59.3
120.05246	2.3
121.02829	5.2
123.00797	2.0
123.04391	5.6
123.08056	0.8
125.02342	13.8
133.02847	17.4
134.03568	0.9
135.04425	6.6
137.02318	5.8
139.07533	2.8
143.04932	2.8
145.02850	6.2
147.04433	1.1
149.02345	4.8
151.00276	71.2
151.03885	1.6
152.00620	3.0
153.05466	4.7
161.02348	49.0
161.04485	3.3
161.05908	1.6
162.02670	2.9
163.00267	3.4
163.03941	1.9
164.01079	1.4
165.01833	12.4
167.03436	2.8
169.01375	5.1
177.01869	7.8
179.03409	5.0
183.10185	5.3
185.06021	3.5
187.03960	6.0
191.03351	1.0
193.01355	18.4
194.01656	1.1
197.08139	1.2
199.07550	1.4
205.01427	1.1
207.02838	1.2
219.02957	2.2
223.02472	2.8
227.07092	4.3
228.07433	1.1
229.04886	1.1
253.05031	1.0
267.10782	8.2
271.06110	100.0
272.06433	9.7
283.06042	0.9
313.07224	67.1
314.07471	7.8
323.07745	2.4
343.08215	16.5
344.08566	1.1
355.08136	2.0
415.10452	1.5
433.11386	45.0
433.16263	1.6
433.24475	3.1
434.11948	7.0
447.55139	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1143
Annotation	Rumejaposide E
Peak:m/z	Relative Intensity
53.64616	0.5
56.51144	0.5
57.03318	1.3
58.03971	0.5
59.01255	25.3
62.16094	0.5
64.71445	0.6
65.00191	3.0
67.01762	0.6
69.03319	0.6
69.21920	3.2
69.22337	1.8
71.01257	4.8
73.02808	1.0
75.00724	0.9
76.80153	0.6
79.01759	1.0
81.03338	1.8
83.01257	3.9
85.02821	1.8
87.00740	0.6
87.95636	0.6
89.02328	3.9
93.03329	5.8
95.01234	1.7
97.02832	3.8
99.00738	0.7
100.09861	0.5
101.02340	3.6
105.03338	1.2
107.01273	3.1
107.04934	0.6
109.02831	2.2
113.02329	2.6
117.03340	1.0
119.03385	1.8
119.04922	31.4
120.05268	1.9
121.02863	5.8
123.00794	1.1
123.04421	1.5
125.02341	16.2
126.02673	1.5
133.02866	0.6
135.00742	0.6
135.04405	1.8
136.01578	1.0
137.02359	3.0
139.03929	0.6
142.53131	0.5
143.03455	0.6
143.04939	2.9
145.02859	4.1
147.04361	0.7
149.02368	5.6
150.99136	0.7
151.00288	10.0
151.03905	1.6
153.01817	0.9
155.03407	0.8
161.02354	1.2
161.04474	1.7
161.05984	1.5
163.00290	4.8
163.03909	1.0
164.01151	1.1
165.01860	8.3
167.03459	2.7
169.01402	0.5
177.01868	1.8
179.03436	2.1
179.05519	0.8
181.01219	0.6
183.10170	0.9
185.05998	1.9
187.03935	3.1
191.03467	0.7
193.01360	22.4
194.01665	1.2
199.07565	1.1
203.07025	0.7
205.01373	2.0
207.02910	1.4
211.06047	0.8
213.09056	0.6
219.02924	2.2
223.02328	2.9
225.05389	0.5
227.07152	1.8
241.08723	0.9
267.10922	0.8
269.08173	1.4
271.06116	8.1
272.06354	1.0
283.06067	2.1
285.07767	0.8
313.07187	100.0
314.07559	10.1
325.07162	1.7
330.36450	0.5
343.08215	27.0
344.08273	3.2
353.12192	0.6
355.08258	1.2
397.09067	0.8
415.10434	1.9
416.10751	0.6
433.11423	14.9
433.17334	0.8
433.19815	1.0
433.24796	1.0
434.11722	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	433.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.3
57.09594	0.3
59.01252	28.1
60.01609	0.3
61.98707	4.8
63.02278	2.3
65.00198	6.9
69.43256	0.2
69.66694	0.4
69.67100	1.1
71.00851	0.3
71.01251	5.4
72.99178	0.6
73.02826	1.0
75.97871	0.2
83.01258	5.5
85.02838	1.8
86.55207	0.2
87.00740	0.5
89.02319	3.8
91.01758	0.2
93.03342	8.3
95.01270	0.7
96.95914	0.3
97.02842	0.4
97.06485	0.2
99.00777	0.4
101.02331	3.6
107.01274	13.8
108.02064	1.1
109.02851	0.6
113.02329	2.0
117.03341	0.3
119.03449	1.7
119.04920	40.9
119.65872	0.3
119.66836	0.3
120.05266	1.8
120.99568	0.4
121.02856	0.5
124.01554	0.7
125.02361	1.6
131.01253	0.5
135.00803	0.3
136.01576	0.4
137.02330	0.9
139.00200	0.3
143.03473	0.3
143.04884	0.4
145.02855	1.4
148.01547	0.5
149.02338	0.6
150.03143	0.3
151.00279	46.8
151.03821	1.7
152.00723	2.2
161.04457	1.2
161.05893	0.6
163.04002	0.4
164.01018	0.6
165.01836	2.2
165.05486	0.3
169.01338	2.6
175.00299	1.9
176.15341	0.3
177.01843	6.3
178.99823	1.4
179.03409	0.4
179.05487	0.7
185.05978	0.3
187.03883	1.0
193.01335	0.8
225.05469	0.3
227.03348	0.6
227.07083	1.1
229.04968	0.4
243.02940	0.9
255.03030	2.7
257.04605	0.6
268.03830	0.4
269.04572	2.9
270.04727	0.7
271.02795	3.3
271.06119	100.0
272.03311	0.7
272.06451	9.9
272.09476	0.5
295.06168	1.5
300.02762	5.8
301.03519	2.6
311.05716	0.3
313.07355	1.6
325.07602	0.3
373.18622	0.7
404.26962	0.3
433.06903	5.1
433.23865	2.6
434.07559	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37361	1.4
57.03321	2.5
59.01252	100.0
65.69810	1.6
69.49715	10.5
71.01257	22.5
73.02814	6.5
83.01238	1.7
83.23503	1.8
85.02838	9.9
88.30790	1.6
89.02336	6.0
99.00755	3.0
101.02316	16.9
109.02889	2.1
113.02285	8.2
119.03320	1.9
123.04336	2.8
125.02321	7.6
127.72160	2.2
138.05513	4.1
139.05890	2.3
151.03920	2.3
159.02895	2.4
161.02408	2.7
161.04451	14.7
211.09618	2.7
289.07001	2.1
332.09726	1.7
373.15009	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	433.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41676	1.1
58.29283	1.0
59.01254	100.0
60.01586	1.0
61.48877	0.9
61.98693	1.4
71.01255	1.5
71.25668	1.6
71.60146	1.0
89.02312	1.8
96.95876	1.9
101.02367	1.7
113.02344	1.7
162.79555	1.0
233.10970	1.1
271.02435	1.7
300.02710	2.0
433.08081	1.5
433.15985	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43063	0.7
52.16399	0.8
59.01253	100.0
60.01595	0.7
65.96954	0.9
71.01261	10.6
71.41862	1.3
72.99168	0.7
73.02441	1.5
73.02824	18.5
83.01273	4.6
85.02840	1.6
89.02321	4.5
95.39540	0.7
101.02325	19.0
113.02328	5.8
119.03393	1.8
131.03345	2.4
131.12592	0.9
143.03430	1.7
149.04446	2.5
151.03978	0.9
161.04478	4.3
176.04993	0.8
178.56151	0.8
196.15791	0.7
337.55099	1.0
350.76462	1.0
433.24280	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	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01595	1.0
61.98706	0.7
69.94305	1.2
69.94650	0.3
71.01259	2.8
73.02831	1.6
83.01257	0.4
85.02834	0.9
89.02329	1.1
101.02316	2.4
113.02351	0.9
119.03414	0.7
159.51218	0.4
161.04477	0.5
331.17618	0.7
350.69839	0.3
416.69772	0.3
433.24432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2356
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
55.97119	0.3
59.01257	6.9
60.95796	0.3
61.98701	0.4
68.06123	0.3
69.65537	1.3
69.78101	0.3
72.89434	0.3
78.95779	70.3
96.95914	0.5
96.96844	6.1
98.54699	0.3
108.01902	0.3
150.97952	1.7
152.99496	100.0
153.99844	1.7
171.00558	2.7
172.98743	0.3
187.55655	0.3
279.23273	1.2
294.04715	0.3
343.27109	0.4
365.99310	0.4
433.23590	11.2
433.32944	0.5
434.23880	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	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	2.2
56.80716	0.6
57.03330	2.7
58.00468	2.4
59.01253	100.0
60.01590	1.4
61.98700	0.6
64.41629	0.6
65.26749	0.6
69.59094	0.6
71.01257	49.7
71.41304	1.1
72.01623	1.3
72.99185	2.3
73.02817	12.1
83.01274	3.4
83.04874	0.7
85.02826	14.0
87.00744	1.6
89.02319	43.9
89.31296	0.6
90.02666	0.8
95.01273	2.8
97.02834	0.7
98.84932	0.6
99.00769	4.0
101.02325	38.4
102.02682	1.0
105.09651	0.6
113.02335	21.6
117.76483	0.6
119.03393	19.6
125.02330	1.8
129.01823	0.7
131.03416	2.3
143.03386	4.3
145.02927	1.4
147.11662	1.4
148.86485	0.7
149.04498	1.7
159.02911	2.8
161.04462	20.7
179.05540	11.2
180.05833	0.7
183.10190	0.8
203.65202	0.7
205.03531	0.6
271.02390	1.8
271.19144	11.1
300.02744	4.4
301.03558	0.9
301.51752	0.7
329.13791	1.0
371.90244	0.8
373.22421	1.0
380.62741	0.9
407.81247	0.7
433.07800	4.4
433.24368	29.7
434.24722	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	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
57.03325	0.6
58.78667	0.4
59.01251	100.0
59.44075	0.3
60.01583	1.0
61.45038	0.3
61.98713	0.8
63.99877	0.2
69.27716	2.4
71.01254	7.7
71.60731	0.3
72.99184	0.8
73.02821	2.0
81.03368	0.3
83.01283	0.9
83.04950	0.3
85.02817	2.4
87.00778	0.8
87.55656	0.3
89.02319	6.0
89.02834	0.5
93.03348	2.2
95.01290	0.8
97.06474	0.6
99.00778	0.7
101.02335	5.9
102.02697	0.3
106.04259	0.3
113.02334	2.9
117.03365	0.4
118.85474	0.3
119.03384	2.5
121.02826	0.3
125.02327	0.4
126.71513	0.3
131.03394	0.5
136.01582	0.7
137.02353	3.2
143.03427	0.6
145.02910	2.2
151.03934	0.4
159.02875	0.4
161.04442	2.4
161.05533	0.3
179.03415	2.3
179.05583	1.4
181.05186	0.3
191.03717	0.3
209.04691	0.5
229.08817	0.3
239.05582	2.4
255.03014	0.6
271.02615	1.4
271.06281	0.3
271.19202	2.1
300.02704	2.2
301.03357	0.7
301.33875	0.3
331.48413	0.3
373.22363	1.5
390.88327	0.3
397.15131	1.2
433.08041	0.9
433.15240	0.8
433.24039	3.0
433.29324	0.5
434.25018	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2445
Annotation	Dictamnoside I
Peak:m/z	Relative Intensity
54.23127	0.5
55.01746	0.5
57.03331	1.4
59.01252	100.0
60.01587	1.2
61.98700	3.0
64.99082	0.4
67.53465	0.4
69.03326	0.6
71.01258	9.0
71.55146	0.6
72.99196	1.1
73.02815	2.7
74.03600	0.4
79.29832	0.5
83.01276	1.6
84.81205	0.4
85.02812	4.9
87.00751	0.9
89.02323	4.0
92.56111	0.4
93.60499	0.4
95.01302	0.8
99.00767	1.6
101.02321	7.3
102.56158	0.5
103.05858	0.4
113.02314	3.9
119.03391	1.3
119.04910	0.4
119.92931	0.4
125.02360	1.0
127.71096	0.4
131.03426	0.8
135.00816	0.6
135.04437	1.5
137.02382	0.9
149.02377	0.9
151.03870	0.4
159.02890	1.0
161.04456	4.0
175.03966	0.4
179.05487	0.6
206.02136	3.1
221.04506	4.5
221.06615	0.8
222.04976	0.5
224.87741	0.4
253.18170	0.4
255.02995	0.5
271.02713	0.6
271.06146	1.3
271.09476	0.5
271.19131	7.6
272.19455	0.6
300.02771	1.7
301.03394	0.6
331.17563	1.6
373.22333	4.9
415.23257	1.0
433.07639	0.9
433.24356	30.5
434.24652	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17867	1.1
55.01751	1.2
57.03320	1.7
59.01250	31.6
60.20496	1.1
61.98698	1.7
69.03316	1.4
71.01258	22.4
72.99171	2.5
73.02811	6.4
83.01255	2.5
85.02821	11.3
87.00758	3.0
87.04381	4.2
89.02324	9.9
93.03336	21.6
95.01252	6.9
98.20585	1.8
99.00785	2.1
101.02322	14.0
108.02053	74.2
109.02156	2.3
109.02853	44.4
111.00754	2.0
113.02335	8.4
118.35855	1.2
119.03372	4.8
121.02856	2.8
122.03663	1.5
123.00774	2.9
123.04424	3.1
124.01524	1.5
125.02302	2.2
125.06075	1.1
135.00752	1.3
136.01578	1.9
137.02350	36.2
138.02829	1.5
139.03932	1.8
143.03455	1.2
151.00281	3.3
151.03941	2.0
152.01056	100.0
153.01852	32.7
154.02222	1.6
161.02367	1.2
161.04466	1.5
163.38400	1.4
165.01814	2.8
166.02626	5.4
167.10718	1.6
175.03944	2.0
176.04536	1.1
179.03401	1.8
181.04947	3.9
187.65680	1.1
193.25026	1.3
195.06607	1.4
229.20847	1.2
255.15855	6.9
273.04025	1.4
281.06647	8.6
312.06665	1.8
315.07220	11.0
327.08722	4.5
342.11005	3.2
357.13321	6.5
391.10172	2.5
435.09296	94.9
435.22159	23.8
436.09537	13.0
436.22690	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	4.7
60.37009	0.4
60.37361	0.4
61.98696	1.6
69.26943	3.4
71.01250	2.4
73.02804	0.7
80.61948	0.4
81.03339	0.5
83.01270	0.6
83.71104	0.4
85.02826	1.1
85.86214	0.4
89.02312	1.8
93.03336	10.6
93.03913	0.6
95.04921	1.1
97.02792	0.6
98.19774	0.7
101.02324	1.8
103.05399	0.6
105.03298	0.6
108.73455	0.4
109.02837	16.7
109.03583	0.8
110.03211	0.5
113.02315	0.9
117.03362	3.2
119.04898	2.4
121.02857	1.5
122.03653	0.5
123.04411	15.9
124.04763	0.7
125.02332	1.8
133.02863	2.8
135.00737	0.8
137.02371	1.6
141.22040	0.4
145.02859	9.6
147.04431	4.0
149.02342	1.2
150.03117	1.0
151.03920	8.2
159.04399	1.7
161.02380	2.1
161.04492	0.7
161.05870	0.7
162.03044	0.9
163.00258	0.4
163.03912	0.5
165.01852	1.4
175.03902	0.7
176.01073	1.2
177.01854	24.6
178.02214	1.3
187.03938	1.5
189.01865	54.8
190.02597	14.0
191.03421	12.1
201.01863	0.5
203.03438	6.2
203.07120	0.6
204.03906	0.4
216.00595	8.3
217.01367	33.8
218.01907	4.4
219.02934	13.2
219.33952	0.4
220.03275	0.8
227.07115	0.7
229.08577	0.8
231.02948	11.6
232.03535	1.7
233.04478	1.3
239.06833	0.4
241.05084	1.5
243.03273	0.4
245.08179	1.2
255.02885	0.6
255.06749	0.5
256.07587	0.5
269.04614	0.8
271.06104	3.2
272.06494	0.5
273.20627	0.7
281.04535	1.8
283.06122	1.9
289.07202	7.1
290.07434	0.5
297.07642	1.6
303.18292	1.0
311.05615	4.9
312.06070	0.7
323.05649	1.8
341.06647	100.0
342.06967	9.7
435.10831	36.0
435.26703	2.2
436.11157	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	435.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.5
60.01599	0.6
61.98709	1.0
69.27050	2.8
69.27470	1.1
71.01268	0.5
74.60950	0.4
89.03854	0.7
93.03336	8.8
95.04934	1.3
101.02334	0.7
108.02056	1.0
109.02837	14.9
117.03351	2.5
119.04936	1.8
121.01449	0.6
121.02872	0.9
122.03649	1.3
123.04412	14.7
125.02372	0.8
133.02846	3.1
135.00787	0.8
135.04407	0.6
137.02368	1.3
145.02869	7.8
146.03577	0.4
147.04430	3.6
150.03142	1.3
151.03926	5.9
159.04442	1.3
161.02377	2.0
163.03880	0.5
173.02316	0.6
176.01070	1.5
177.01852	23.0
178.02214	0.9
187.03960	2.0
189.01859	49.9
190.02582	10.4
191.03416	9.4
201.01956	0.6
203.03413	5.0
216.00569	7.7
217.01364	29.5
218.00131	0.5
218.01903	3.1
219.02954	11.2
220.03351	0.6
229.08687	0.9
231.02959	10.4
232.03481	1.1
233.04520	0.6
241.05098	1.3
245.08125	0.6
251.14519	0.5
269.04623	1.0
271.06110	3.4
273.07507	0.7
281.04538	1.9
283.06085	1.5
289.07159	4.5
297.07681	1.3
302.90094	0.5
311.05707	4.8
312.05957	0.6
323.05560	1.2
341.06644	100.0
341.90945	0.5
342.07013	10.5
353.21014	0.5
435.10818	30.0
436.11185	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	435.1296
Annotation	Phloridzin
Peak:m/z	Relative Intensity
54.60370	0.3
57.03308	1.7
59.01252	7.7
61.98697	0.4
65.00193	1.5
69.36686	1.4
69.37121	1.3
71.01251	1.3
74.76868	0.3
81.03330	11.5
83.01244	5.3
84.53606	0.3
89.02337	0.6
90.55012	0.4
93.03336	8.4
95.01262	0.5
95.04880	0.4
101.02327	0.5
107.01265	1.2
113.02310	0.6
119.04916	9.8
120.05240	0.4
121.02831	0.4
123.04408	32.7
124.01552	0.3
124.04746	1.2
125.02328	16.4
131.76662	0.4
135.04405	1.3
137.02304	0.7
147.04433	0.3
149.02345	2.4
151.00253	3.0
153.01836	1.0
165.05365	0.4
167.03409	87.3
168.03755	3.6
171.04381	0.4
177.01854	0.5
177.72571	0.3
179.01857	0.5
179.03418	9.0
186.62471	0.3
189.05606	1.8
190.02660	0.4
191.03348	1.0
211.07576	0.6
215.06131	0.3
218.47188	0.4
229.08746	1.1
255.06467	0.7
255.16031	0.8
256.03192	0.5
259.03928	0.5
273.07672	100.0
274.08035	8.7
285.03918	0.5
286.04193	0.5
287.04553	0.8
288.04498	0.8
289.05151	0.8
297.07678	0.8
308.46698	0.4
341.06519	1.0
402.73715	0.4
435.11115	1.7
435.21863	0.7
435.30029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1297
Annotation	Monnieraside III
Peak:m/z	Relative Intensity
55.56952	0.2
57.69297	0.2
59.01255	3.6
61.98710	1.7
65.03822	0.5
69.31172	2.2
71.01253	2.0
72.99165	0.3
73.02827	0.7
74.67923	0.3
79.39314	0.3
83.01232	0.3
85.02827	1.0
88.97891	0.3
89.02299	0.9
93.03337	49.1
94.03671	1.7
101.02351	1.3
109.02849	1.7
113.02360	0.6
119.04881	0.3
121.02905	0.4
123.04403	9.4
124.04726	0.3
125.02313	0.6
131.03410	0.4
137.02344	100.0
138.01706	0.4
138.02679	4.1
145.02843	0.9
147.04410	0.4
149.02318	0.3
150.03142	0.3
151.03911	0.9
153.01831	0.5
153.05498	5.1
161.02353	0.5
161.04510	0.4
177.01869	2.4
189.01848	5.4
190.02618	1.0
191.03395	0.9
203.03450	0.8
216.00627	0.8
217.01395	2.7
218.01883	0.3
219.02950	1.6
231.02988	0.9
273.20746	0.8
281.06750	1.1
289.07236	0.8
303.18115	0.8
311.05588	0.5
341.06625	9.3
342.07108	0.9
352.81354	0.3
435.10892	2.8
435.26505	3.4
436.11371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1298
Annotation	Monnieraside III
Peak:m/z	Relative Intensity
55.01757	0.5
57.01941	0.3
57.03326	0.6
59.01252	5.1
65.18320	0.2
65.98533	0.2
68.99707	0.4
70.40975	0.5
70.41308	0.5
71.01254	11.0
72.99184	0.4
73.02809	2.6
81.03322	0.4
83.01260	1.9
85.02821	4.2
87.00756	0.7
89.02320	1.7
91.41995	0.2
93.03335	23.6
94.03671	0.7
95.01281	1.2
95.04919	1.2
96.99171	0.8
97.02802	0.4
99.00770	1.0
101.02325	8.4
105.03369	0.3
107.04890	0.4
108.02048	0.7
113.02338	3.5
119.03402	0.4
119.04932	0.4
121.02858	1.6
122.03619	1.7
123.04408	100.0
124.04729	3.5
125.02322	0.8
126.02700	0.3
135.04408	1.3
136.01563	2.0
137.02342	53.3
138.02654	1.8
147.04446	0.5
149.02376	0.6
151.00195	0.3
151.03902	1.2
153.05479	70.4
154.05807	2.7
154.44156	0.3
161.04454	0.9
179.03459	1.3
191.03340	0.4
202.74718	0.3
209.04393	0.3
221.04550	0.4
239.05504	0.5
281.06653	93.3
282.06970	7.3
297.09821	0.3
315.10910	1.2
435.13031	8.0
435.21729	1.5
435.29645	0.4
436.13083	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.8
56.94147	0.3
57.03324	2.7
58.00466	4.1
59.01252	93.0
60.01591	1.2
61.98712	0.9
69.03348	1.3
71.01254	89.6
71.55016	0.4
72.01591	1.5
72.99181	5.7
73.02821	15.8
75.00752	1.1
81.03342	0.6
83.01258	6.4
85.02826	18.9
85.99965	1.2
86.03176	0.3
87.00754	11.1
87.53477	0.3
89.02318	100.0
90.02650	2.0
95.01273	2.7
96.95879	0.2
97.02820	1.7
99.00753	4.2
101.02324	57.5
102.02689	1.3
103.00224	0.3
104.01347	0.2
111.00765	2.7
113.02334	19.4
114.02663	0.5
119.03391	9.5
123.04414	0.4
125.02357	2.9
129.01852	0.7
129.59122	0.2
131.03397	50.5
132.03728	1.2
134.38747	0.3
137.02385	0.4
143.03416	2.2
147.02876	0.5
149.04462	56.5
150.04796	1.8
159.02872	1.9
161.04469	6.3
161.05843	0.5
179.05533	2.5
185.15422	0.4
191.05540	22.9
192.05937	0.9
196.59782	0.3
216.51709	0.3
232.97842	0.3
251.07736	0.4
273.20871	0.5
273.24377	1.3
287.22318	1.9
293.09003	0.3
303.18158	1.1
435.22552	2.7
435.29767	21.5
436.22626	0.4
436.30194	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	435.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.5
56.99686	0.2
57.03326	1.1
58.00467	3.7
59.01253	81.5
59.18820	0.2
60.01590	0.9
61.98711	0.4
69.03339	1.0
70.37710	0.2
71.01257	68.3
71.54650	0.3
72.01588	1.1
72.99179	3.7
73.02824	17.2
75.00771	0.5
79.32423	0.2
81.03320	0.5
83.01267	2.5
85.02828	9.8
87.00755	2.3
89.02321	100.0
90.02655	1.8
95.01272	2.2
96.95903	0.3
97.02840	1.5
99.00761	25.4
99.04423	0.2
100.01100	0.4
101.02328	42.4
102.02686	0.6
103.42780	0.2
111.00768	0.3
113.02340	16.4
114.02693	0.5
115.03919	0.7
119.03392	13.1
125.02342	4.6
129.01828	0.3
131.03403	18.6
132.03738	0.6
138.90211	0.2
143.03418	3.5
149.04466	51.2
150.04813	1.4
151.58356	0.2
159.02992	0.3
161.04471	4.5
162.04834	0.2
179.05547	4.3
191.05547	13.3
192.05899	0.5
201.33273	0.2
221.06590	1.2
233.06636	1.0
246.75671	0.2
251.07724	2.4
252.08078	0.3
293.08804	0.6
303.18085	0.5
311.09946	0.4
375.23715	0.6
435.22345	14.8
435.29465	1.9
436.22565	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2539
Annotation	Grevirobstol C
Peak:m/z	Relative Intensity
50.83384	0.3
52.03932	0.3
54.40540	0.3
58.35766	0.2
59.01245	0.6
69.11446	0.3
77.18056	0.3
93.03346	0.7
96.95892	0.7
100.65314	0.3
101.17821	0.3
108.02060	2.0
109.02858	1.6
119.04939	0.3
121.02847	5.3
122.03641	1.4
123.00785	0.5
123.04412	1.7
134.03645	1.2
135.04416	6.0
136.05232	3.8
145.02853	0.7
146.03639	1.8
147.04420	3.4
148.05212	6.0
149.06021	2.3
159.04454	3.2
160.05231	2.5
161.06004	5.0
162.06754	1.1
163.07573	4.5
168.04233	1.5
169.06503	0.6
171.04335	0.5
172.05202	0.7
173.06006	2.9
174.06796	3.3
175.07600	1.3
185.05997	1.8
186.06624	0.5
187.07591	4.2
188.08362	2.4
189.09111	2.1
199.07605	1.0
202.09821	0.3
213.09290	0.5
214.09979	0.4
215.10736	3.5
216.11205	0.3
222.06941	0.4
225.20604	0.3
228.11595	0.3
229.15988	0.6
237.09204	0.5
242.13089	0.9
244.14659	1.4
245.15297	1.3
249.05550	0.3
250.06317	0.5
253.05132	0.5
255.13989	0.3
257.15469	13.7
258.15924	1.2
263.07114	0.5
264.07895	1.2
265.08615	1.4
266.05692	0.3
266.09415	0.7
267.06644	1.8
268.07257	0.8
277.08493	0.3
279.10260	1.1
280.11057	0.4
281.08188	1.7
282.08984	4.1
283.09555	1.1
283.17090	2.5
284.17834	3.0
285.18167	0.3
289.14337	0.3
292.11069	0.6
293.08405	0.3
296.10593	0.4
297.11298	2.5
297.18646	0.9
298.12204	1.6
311.12854	1.4
312.13565	0.7
313.14474	0.4
319.13190	0.7
321.11346	0.7
325.14594	0.4
335.12915	0.3
336.13696	0.9
337.14352	0.4
351.16031	1.1
373.17953	0.3
387.19629	0.4
388.20221	1.4
390.18246	0.4
403.22876	2.1
404.23224	0.6
405.20639	1.9
405.25269	0.4
406.20990	0.3
420.22989	3.9
421.23425	0.5
435.25409	100.0
436.25745	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.5
69.82344	0.2
69.82632	0.9
73.54902	0.1
93.03315	0.2
96.95909	0.4
108.02051	2.9
109.02843	0.3
121.02859	1.2
122.03633	0.6
123.04408	2.5
124.04804	0.2
134.03618	0.2
135.04401	0.8
136.05202	0.2
145.02858	0.3
146.03654	0.4
147.04428	0.6
148.05203	99.2
149.05524	5.1
153.97107	0.2
159.04430	0.7
160.05254	0.6
161.06017	0.6
163.03963	2.4
163.07558	100.0
164.07881	5.9
169.06512	0.3
172.05154	0.3
173.06004	0.4
174.06741	1.2
175.07610	0.2
178.06273	0.6
185.06023	0.7
187.07547	2.3
188.08243	0.6
189.09099	0.2
242.13014	0.2
244.14777	0.3
245.15341	0.2
257.15445	7.0
258.15891	0.8
259.16931	0.4
281.08298	0.3
282.08893	0.4
283.16873	0.2
284.17471	0.2
297.11383	0.3
297.18631	0.5
351.16046	0.3
366.36597	0.2
405.20535	0.2
420.23083	9.1
421.23267	1.4
435.25354	9.7
436.25803	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.0
76.08424	0.2
78.95786	0.7
93.03326	0.3
96.95901	0.4
101.19291	0.2
108.01362	0.3
108.02059	3.7
109.02844	0.3
121.02866	1.3
122.03611	0.5
123.04435	2.9
128.04285	0.3
135.04396	1.0
136.05212	0.4
146.03610	0.5
147.04428	0.5
148.05206	98.0
149.05533	5.4
152.99512	0.4
159.04428	0.8
160.05237	0.6
161.05998	1.1
163.07562	100.0
164.07886	5.5
169.06564	0.4
172.05205	0.4
173.05980	0.4
174.06793	1.5
183.31886	0.2
185.06024	1.1
187.07591	3.1
188.08307	0.6
189.09218	0.3
215.10674	0.3
230.41789	0.2
238.35867	0.2
242.13043	0.3
244.14688	0.5
245.15140	0.2
257.15488	6.5
258.15863	1.2
259.16946	0.4
263.46906	0.3
267.06592	0.4
282.08957	0.6
284.17892	0.4
297.11414	0.7
297.18607	0.6
321.11136	0.3
351.16196	0.4
405.20630	0.5
420.23090	9.7
421.23434	1.5
435.25409	13.7
436.25891	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	435.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11190	0.3
59.01254	100.0
60.01601	1.0
71.01248	3.0
71.54470	0.4
72.99174	0.4
73.02836	1.2
76.30875	0.3
83.01320	0.4
85.02840	1.3
89.02335	1.1
101.02305	3.1
113.02359	1.2
117.13029	0.4
119.03409	0.5
148.08832	0.3
159.02965	0.4
161.04506	1.9
255.02899	0.5
293.34204	0.3
375.23883	3.4
376.35876	0.4
407.07730	0.6
435.07889	0.6
435.30817	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	436.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03841	2.2
57.03321	2.3
59.01250	100.0
60.01588	12.8
60.46408	2.0
61.01679	17.8
61.98704	52.8
62.02008	2.9
71.01245	14.4
71.54483	2.2
72.99146	2.4
73.02818	2.7
85.02845	7.4
87.00742	2.0
89.02313	7.3
101.02331	8.1
101.05949	3.7
108.54997	1.8
113.02341	5.0
115.07534	3.0
119.03365	3.1
119.04929	3.3
123.04418	8.3
125.02383	3.3
131.03363	3.8
145.02847	3.6
153.05476	8.1
161.04507	5.5
167.03386	3.0
190.57901	2.2
220.25230	2.0
224.81683	2.2
277.97800	2.2
316.09216	4.0
376.23438	2.5
435.29367	3.7
436.24008	2.9
436.30060	28.1
437.14273	3.2
437.24332	12.2
437.28955	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	436.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	39.6
60.01587	4.9
61.01677	7.3
61.98701	100.0
69.38699	7.7
71.01246	5.7
85.02815	2.2
89.02317	1.7
93.03327	2.1
98.19754	1.2
101.02316	3.3
102.99920	1.2
104.40238	1.3
107.67777	1.2
109.02835	4.8
110.03160	1.4
113.82810	1.1
117.03333	5.6
119.04896	1.8
123.04412	1.5
136.01485	1.6
145.02855	15.5
146.03198	1.6
147.95210	1.3
151.03918	12.9
152.04257	6.3
161.29384	1.1
163.03894	1.6
177.01872	2.1
178.16945	1.1
189.01814	3.3
190.02277	3.0
217.01292	3.2
218.01617	1.6
250.31329	1.3
265.07196	1.4
273.07843	1.3
274.07886	5.6
341.06583	6.0
342.06985	15.1
343.07077	1.6
376.23111	1.7
436.11935	4.7
437.18475	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.1
59.01254	100.0
60.01580	1.4
61.98708	0.4
69.58777	1.6
69.59193	0.9
71.01260	4.1
72.99200	0.7
73.02831	0.7
74.99001	0.4
75.00736	0.5
81.03349	0.7
83.01288	1.4
85.02834	1.4
86.56126	0.4
87.00760	0.7
89.02341	1.1
93.03368	0.5
97.02825	0.7
99.00765	0.6
101.02323	2.9
109.02853	1.4
113.02371	1.7
121.55984	0.4
123.04391	1.1
125.02340	18.3
126.02646	0.9
130.29501	0.4
131.03426	0.6
137.02319	0.6
139.03935	1.3
143.08182	0.4
149.02353	2.0
150.02841	0.4
153.01895	1.0
161.02373	0.5
161.04451	2.7
165.01790	0.4
165.05484	0.6
167.03473	1.7
175.03972	0.4
195.06490	0.8
206.02029	0.5
211.06189	0.6
289.07220	0.8
297.06046	0.5
305.16049	0.5
311.07849	1.2
347.07706	1.9
377.14029	0.4
377.18082	2.1
437.11154	2.3
437.20596	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	437.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	8.1
55.94827	0.4
57.03325	6.9
58.00468	5.0
59.01254	85.5
60.01601	1.0
61.98703	0.6
62.42664	0.4
68.99664	0.9
69.03310	2.8
69.37060	3.4
71.01257	100.0
72.01605	1.3
72.99184	7.2
73.02823	28.5
75.00748	1.8
75.58517	0.4
81.03326	1.5
83.01261	21.0
85.02825	41.5
85.99993	2.3
86.03160	0.8
87.00761	5.7
89.02321	46.9
90.02662	1.0
95.01270	4.0
96.95919	0.6
97.02814	4.4
97.66930	0.5
99.00761	13.2
100.94260	0.5
101.02325	89.0
102.02678	2.3
111.00771	9.6
113.02333	27.7
115.03918	2.0
119.03383	1.9
123.04422	0.5
125.02338	6.0
127.03967	0.5
129.01817	1.9
131.03401	34.9
132.03755	1.3
141.12747	0.8
143.03380	4.6
149.04483	13.9
159.02888	3.8
161.04465	23.1
162.04745	0.6
173.04500	0.5
187.05994	0.9
191.05551	2.1
205.03465	0.8
213.14961	0.7
215.05588	2.1
223.87250	0.5
233.06618	6.7
280.00601	0.5
287.18634	1.7
293.08890	0.5
305.19702	94.6
306.20041	8.8
349.18631	0.8
433.91995	0.5
437.23923	63.2
438.24374	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	437.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	6.8
57.03322	6.2
58.00460	2.8
59.01251	47.9
59.94816	1.0
60.86705	0.9
61.98684	1.7
69.03335	1.5
70.41207	2.8
71.01254	70.4
72.01575	1.4
72.99182	4.5
73.02819	37.3
74.03111	1.4
75.00759	2.2
75.66939	0.8
81.03326	1.2
83.01254	15.4
85.02822	39.6
85.99987	2.0
86.03156	1.0
87.00734	4.1
89.02322	14.0
95.01288	5.2
96.95882	1.9
97.02829	4.2
99.00751	16.2
99.04391	1.0
99.53682	0.9
101.02322	75.8
102.02633	1.1
111.00741	2.8
113.02324	24.7
114.02656	1.1
115.03888	2.3
115.09882	0.9
119.03333	1.4
125.02342	4.7
129.01819	1.8
131.03406	4.8
139.09174	0.9
143.03377	3.5
149.04448	1.4
157.56415	0.9
159.02892	5.0
159.90613	1.0
161.04469	20.8
173.04413	1.0
201.75664	1.0
213.14803	1.4
233.06622	3.1
247.84792	1.2
289.25980	1.1
293.08789	1.8
305.19687	100.0
306.19989	10.4
322.33167	0.9
349.18756	1.4
437.23911	95.2
438.24213	12.6
460.15793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
66.96398	0.6
71.22769	0.8
78.95779	9.1
79.95604	2.7
95.61312	0.6
96.95895	100.0
96.96818	19.1
97.95817	1.2
301.72504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44533	0.3
50.45135	0.2
59.01257	0.3
69.19382	0.3
70.70839	0.6
71.01263	0.5
78.95784	6.4
79.95602	1.7
82.81376	0.3
96.95894	100.0
96.96815	17.2
97.95819	0.4
111.00813	0.4
112.98678	0.5
115.00250	0.5
126.41724	0.3
145.01317	0.4
150.64014	0.3
263.05923	0.4
409.79706	0.3
439.08401	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15073	0.4
59.01251	3.5
64.31258	0.4
69.23611	0.5
70.87344	1.2
71.01266	0.9
78.76743	0.4
89.02330	1.1
93.03351	1.7
97.02857	0.4
109.02821	0.7
113.96057	0.4
121.02869	3.0
122.03632	5.7
133.02844	0.5
134.03627	0.4
136.01558	0.8
137.02371	3.5
137.06010	0.7
149.02354	19.2
150.03140	49.2
151.03453	2.5
163.15236	0.5
164.04718	5.9
165.01857	25.7
165.05492	60.6
166.02254	1.0
166.05846	4.2
180.04214	25.2
181.04666	1.5
183.06577	0.7
195.06569	100.0
196.06917	5.7
243.08664	2.4
248.98224	0.5
269.04422	0.4
301.07343	3.1
301.10623	0.8
315.08884	0.7
316.09299	2.3
331.11911	9.5
332.12259	1.2
391.14014	15.2
392.14313	1.7
392.74075	0.6
422.15515	0.5
439.16321	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	439.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.2
61.98709	0.6
63.55061	0.4
69.34049	2.5
69.34469	1.1
69.43629	0.4
75.62711	0.4
83.01224	0.5
83.99628	0.4
84.39609	0.5
89.02328	1.3
93.03343	2.8
93.29340	0.4
95.43057	0.5
96.95864	0.5
109.02846	1.5
113.02307	0.6
121.02828	2.7
122.03637	10.1
123.00784	1.2
123.04395	1.5
124.01556	0.5
125.02341	3.2
130.36516	0.4
131.83310	0.5
133.02895	1.2
135.04437	0.7
137.02348	5.5
139.00270	0.5
139.03886	0.5
141.01843	0.6
149.02348	14.8
149.03548	0.7
150.03134	62.2
151.00298	0.4
151.03560	2.9
161.02380	1.1
162.02956	0.5
163.03799	0.7
164.00972	0.6
164.04700	2.5
165.01852	28.2
165.05490	67.9
166.02229	0.7
166.05820	4.3
167.03412	0.9
171.57283	0.5
177.01860	0.5
179.03426	0.6
180.04199	21.3
181.04608	0.8
191.03418	0.4
195.06563	100.0
196.06917	6.2
243.08707	0.9
285.03949	0.5
289.07126	1.0
331.11783	1.0
391.13968	1.2
439.16296	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	439.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87230	6.8
52.47980	7.2
56.34348	7.3
59.01254	100.0
59.96090	6.9
63.63371	6.9
64.95114	7.8
68.83837	7.1
69.21635	81.0
71.01253	54.4
73.02814	10.4
83.01247	9.8
85.02850	18.5
89.02317	90.2
96.95859	10.2
99.00751	14.3
101.02322	36.5
109.02890	16.5
111.00719	10.5
113.02321	23.9
119.03399	9.7
121.02792	9.3
123.00746	11.9
125.02357	25.6
131.03389	17.2
135.04352	9.7
137.02336	10.0
149.02390	15.6
149.04468	55.5
150.03145	67.9
161.04468	13.1
165.01843	29.8
165.05502	53.4
177.01846	19.5
179.05571	12.4
180.04233	16.0
191.05498	23.8
195.06567	90.1
196.06839	9.4
220.67743	8.1
259.02386	13.7
280.34427	7.9
379.16061	91.7
380.16376	12.9
439.07050	10.8
439.17661	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	441.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.6
57.03327	3.6
57.24571	0.7
58.00453	1.7
59.01254	33.8
60.06781	0.7
61.98713	1.9
67.67718	0.7
69.03326	1.3
70.18721	0.6
71.01257	54.1
71.12604	1.1
72.01614	0.8
72.99192	2.7
73.02819	14.8
75.00741	1.4
78.95821	0.6
83.01267	7.6
83.01732	1.1
84.02065	0.8
85.02825	30.9
85.99971	1.0
87.00755	5.5
87.04412	1.5
89.02323	15.6
95.01269	2.7
96.95874	1.5
97.02841	2.7
98.20488	0.7
98.90523	0.6
99.00774	5.7
99.04414	0.7
101.02326	29.9
101.05976	1.0
103.03911	2.1
111.00743	2.7
113.02332	20.6
115.03889	2.3
115.07508	1.2
119.03395	1.3
123.04426	3.0
124.01528	1.8
125.02334	4.0
129.01825	4.1
130.32611	0.7
131.03389	9.6
131.04909	1.3
132.05719	2.1
133.02849	3.0
133.06494	100.0
134.06816	4.6
137.02338	1.5
139.03889	4.0
143.03381	7.8
147.02882	0.7
147.08029	3.3
149.02328	0.9
149.04494	2.2
151.03920	1.2
157.08586	0.9
159.02876	4.8
160.01553	1.8
161.02409	1.7
161.04471	38.4
162.04840	1.1
163.06076	1.0
173.00677	0.6
175.03886	1.8
177.01860	13.0
178.02271	0.7
179.03394	0.8
191.01915	1.6
195.03012	1.1
205.03485	1.6
205.05505	0.7
205.07143	4.3
219.13841	4.6
233.06660	2.8
291.12253	1.0
295.11774	3.5
309.13422	12.2
310.13864	1.0
399.00317	0.7
441.18185	21.0
442.18118	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	441.1766
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
55.01754	1.4
57.03322	1.7
58.00462	0.9
58.67971	0.4
59.01248	16.6
60.01597	0.5
69.03336	1.2
71.01253	30.9
72.99181	1.4
73.02814	10.2
74.40543	0.4
75.00743	0.7
83.01250	2.8
85.02817	15.1
85.99956	0.8
86.03122	0.5
87.00751	4.0
87.04388	1.0
89.02316	6.0
95.01277	1.9
96.95887	0.8
97.02835	1.2
99.00764	2.9
101.02322	17.2
103.03876	2.0
109.02866	0.6
113.02325	14.1
115.03889	1.7
119.03400	1.7
123.04439	1.3
124.01538	0.8
125.02357	1.6
130.47856	0.4
131.03423	2.4
131.04948	1.2
132.05719	2.4
133.06488	100.0
134.06818	4.8
137.02391	0.5
139.03922	1.4
143.03381	5.6
145.05070	0.4
147.08061	0.8
159.02895	1.9
160.01518	1.1
161.04459	28.2
162.04803	1.5
163.06047	0.8
168.92192	0.4
175.03951	1.7
191.05582	0.7
205.03557	1.1
205.07076	4.3
219.13887	0.7
276.37680	0.4
295.11871	2.7
307.10522	0.5
309.13614	1.2
393.98029	0.4
423.91916	0.5
441.17688	15.6
442.17966	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	441.1768
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
52.84341	1.1
55.01761	2.3
57.03323	2.7
58.00470	4.7
59.01252	100.0
60.01587	1.4
61.98704	1.4
71.01254	77.5
72.99204	5.7
73.02819	5.3
76.21293	1.0
83.01245	5.0
85.02833	15.1
87.00760	3.4
89.02321	69.1
95.01260	5.2
97.02833	2.1
99.00755	2.6
99.04412	1.9
99.42052	1.1
99.96026	1.2
101.02326	52.5
102.02673	1.2
107.04898	2.1
109.02825	10.2
113.02338	26.9
119.03388	36.1
120.03716	1.9
121.06474	1.5
122.03635	2.9
123.04416	2.0
124.05180	3.5
125.02358	1.7
131.03403	3.7
133.06496	14.8
134.03613	1.5
135.03441	1.3
135.04420	4.4
137.05994	2.9
139.03880	1.3
139.07564	17.2
143.03444	2.9
145.02824	3.6
149.04459	2.5
149.06012	3.7
151.07602	2.0
153.05403	2.2
160.01581	1.6
161.04480	10.3
168.05136	1.1
169.08667	2.4
175.03853	1.9
179.03450	3.0
179.05515	7.3
187.11102	1.6
193.05055	3.6
202.10019	2.1
205.12360	4.4
212.21831	1.3
217.12340	6.1
235.06012	2.1
235.13332	3.5
261.11401	1.3
297.16650	1.3
330.13174	35.8
331.13922	19.6
389.25989	1.3
397.18765	7.8
423.16766	1.6
441.17691	98.6
442.18024	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	441.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81225	1.7
53.80888	1.7
55.01770	3.9
57.03321	4.1
59.01253	78.9
61.98711	4.1
69.73064	1.6
70.34686	1.6
70.83124	3.9
70.92245	1.4
71.01256	38.0
72.99194	2.8
73.02823	20.6
75.00751	2.0
83.01254	16.5
85.02834	24.9
87.00768	2.5
89.02337	5.3
90.60223	1.5
95.01266	3.1
96.25826	1.4
97.02829	2.1
99.00756	7.3
101.02332	53.3
113.02342	14.1
114.80763	1.5
114.90639	1.5
121.18511	1.5
125.02368	4.3
129.01834	2.0
143.03400	2.3
153.01817	2.5
159.02876	3.8
161.04474	13.8
191.05434	2.3
235.11850	93.6
236.12221	5.2
373.22504	1.8
381.17694	100.0
382.18069	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	441.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	3.1
59.01254	24.7
61.98705	5.5
69.32638	15.5
71.01258	34.3
73.02824	14.1
75.00759	2.7
77.95207	1.8
83.01273	6.2
85.02821	17.2
89.02313	12.6
96.22518	2.0
97.02837	2.4
99.00795	5.1
101.02325	36.5
101.05953	3.4
104.44346	2.0
111.00803	2.8
113.02327	14.1
115.07541	2.5
119.04916	8.8
123.04420	6.0
125.02359	3.2
131.03442	3.3
133.02864	2.8
139.00383	2.5
145.02869	9.0
153.05487	7.8
159.02946	2.2
161.02415	5.1
161.04468	13.0
163.03932	10.1
184.27045	2.1
201.02187	1.9
249.13411	53.0
250.13675	4.4
292.79822	2.2
381.12781	3.7
381.17676	100.0
382.17892	10.7
441.13834	7.8
441.19678	3.4
442.14850	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	441.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	5.0
57.03324	3.9
59.01255	64.4
60.30850	1.7
61.98705	2.5
62.83309	1.7
66.90206	1.9
70.44964	2.1
70.45280	2.9
71.00850	1.9
71.01255	35.8
73.02824	17.1
75.00733	2.0
81.84619	1.7
83.01279	10.9
85.02825	25.5
87.00740	3.5
89.02319	6.8
91.37210	1.6
95.01277	2.0
99.00770	6.7
101.02325	38.0
111.00768	3.0
113.02332	15.5
116.48742	1.8
119.03395	2.0
122.25947	1.6
125.02328	7.1
143.99307	1.8
146.89215	1.6
151.00192	3.0
153.01840	3.5
156.89450	1.6
159.02899	2.4
161.02383	2.3
161.04520	11.8
163.03880	2.7
163.06001	2.2
177.01830	5.5
187.45950	1.6
203.03394	1.7
235.11847	79.2
236.12061	4.7
335.14825	2.0
381.17676	100.0
382.17957	9.3
446.42444	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04889	0.7
59.01240	2.2
67.27317	0.7
70.50470	0.6
71.01240	1.6
71.20761	1.5
71.21124	0.8
85.02822	1.0
98.90436	0.7
101.02317	1.9
119.22890	0.6
149.05963	1.4
163.06035	3.1
171.10187	1.8
201.62906	0.7
248.14075	0.7
277.21716	100.0
278.22104	10.9
299.22470	1.0
441.32507	1.8
451.47467	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.4
57.03305	0.5
58.00443	0.5
59.01257	8.3
61.98707	13.2
69.59192	1.0
69.59594	2.5
71.01255	9.0
72.99189	0.9
73.02820	1.0
83.01260	1.0
85.02816	2.1
87.00759	0.7
89.02321	4.6
89.35096	0.4
91.75307	0.4
93.03342	1.6
96.95964	0.4
99.04436	0.4
101.02317	4.2
103.03844	0.5
113.02319	2.3
115.00259	4.5
117.03355	24.1
118.03722	1.2
119.03414	1.3
119.04922	24.4
120.05272	0.9
121.02833	0.9
125.02370	0.9
133.01323	2.6
133.02852	3.5
133.06512	1.2
135.04434	1.1
135.06578	0.8
139.89301	0.4
145.02861	100.0
146.03185	4.5
147.04453	0.8
147.61690	0.5
153.01906	0.7
161.01059	0.8
161.02368	11.9
161.05945	2.7
162.02635	0.5
163.03931	31.5
164.04268	1.5
177.05493	1.5
179.03391	1.0
179.72185	0.4
187.03847	0.5
195.04456	0.5
205.05054	4.2
235.05960	2.0
237.09129	2.8
239.10716	1.1
265.06970	2.8
283.09705	4.1
284.10046	0.8
307.08350	0.7
327.08755	28.3
328.08981	3.8
423.30658	0.5
443.15588	60.4
444.15948	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.0
59.01256	9.7
62.05318	0.7
64.08560	0.8
66.59819	0.7
70.02504	3.5
71.01260	8.6
71.14368	0.7
73.02821	2.7
83.01266	2.2
85.02813	4.6
87.00764	1.0
89.02307	2.4
93.03331	1.9
101.02330	5.1
101.05975	1.0
105.05426	1.1
109.02797	0.8
111.00781	1.0
113.02354	4.3
117.03359	1.1
119.04923	2.2
123.04381	1.1
132.02071	20.7
133.01381	0.9
133.02905	4.0
134.02640	1.5
134.03635	22.9
135.04434	14.3
136.04887	0.9
137.02316	1.4
147.04471	1.0
149.05977	2.7
151.00261	1.2
153.01825	6.8
153.05478	1.4
160.01575	96.0
161.01907	6.1
161.04482	1.3
175.03926	100.0
176.04315	6.0
177.01869	1.1
178.02519	1.2
179.03424	1.3
190.02705	1.3
193.05000	28.7
194.05307	2.1
195.06534	0.8
205.05038	2.0
221.61603	0.8
255.02879	2.3
267.10907	1.1
271.02588	5.1
277.06927	0.8
300.02795	6.8
301.03329	2.3
327.08890	1.8
383.46219	0.8
386.76144	0.9
432.78888	0.8
443.15576	81.3
444.15878	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44728	0.7
59.01255	11.3
61.98702	5.3
71.01255	7.7
72.99177	1.3
73.02817	3.4
83.01262	1.5
83.04890	1.0
85.02826	4.6
87.00762	1.6
89.02329	3.2
91.58404	0.8
93.03329	1.3
95.01237	0.7
98.53622	0.8
99.00742	1.2
99.47705	0.7
101.02326	7.1
101.05995	0.8
103.03844	0.9
103.94817	0.7
105.05455	1.8
113.02357	3.9
117.03370	0.8
119.04905	3.5
121.02827	0.9
123.04408	4.2
125.02407	1.2
125.05955	1.4
132.02072	16.9
133.02832	3.4
134.03642	20.7
137.02328	3.3
139.03922	0.9
145.04926	1.3
149.05974	3.7
153.05498	4.2
160.01579	80.1
161.02260	6.1
161.04498	1.3
162.03154	0.8
163.03896	1.9
166.84489	0.7
167.03395	1.3
169.04971	0.8
175.03934	100.0
176.04308	5.7
177.01903	0.9
177.05394	1.2
178.02519	1.1
179.03438	1.8
193.05014	24.6
194.05331	1.4
224.13780	0.7
235.05911	1.2
255.02907	1.2
267.11014	1.0
271.02441	1.4
283.09683	0.8
294.40134	0.7
300.02841	2.2
301.03415	1.0
327.08588	0.7
443.15582	58.9
444.15955	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	443.156
Annotation	Manglieside B
Peak:m/z	Relative Intensity
57.74204	0.2
58.00454	0.2
59.01254	4.5
69.03325	0.4
71.01256	5.5
72.99182	0.3
73.02824	0.8
75.00748	0.2
81.03336	0.3
82.86820	0.1
83.01263	0.3
85.02833	0.6
87.00755	0.2
89.02320	9.9
90.02668	0.2
93.03299	0.2
94.41055	0.1
95.01252	0.2
97.02827	1.0
99.00761	1.5
99.04417	0.2
101.02309	1.5
108.02053	0.4
111.00771	0.2
113.02334	1.0
115.03860	0.7
119.03397	0.3
122.03626	0.7
123.04388	0.2
125.02345	4.7
126.02704	0.2
130.04091	0.3
131.03413	1.2
131.04915	0.3
132.67577	0.1
143.03403	0.4
147.04451	1.4
148.05214	2.5
149.05989	100.0
150.03111	0.2
150.06328	5.4
153.01828	0.3
161.04498	0.3
164.36586	0.1
191.05531	1.3
233.06638	5.4
234.06996	0.2
293.08789	6.7
294.09088	0.5
443.15582	1.7
444.16058	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1923
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
52.32479	0.7
55.01758	1.5
56.41477	0.9
57.03329	1.6
58.00464	2.2
58.52103	0.7
59.01255	35.7
69.44880	5.8
71.01255	28.0
72.99184	1.7
73.02822	4.9
75.00758	3.5
82.66597	0.8
83.01263	4.9
85.02830	10.1
87.00772	1.9
89.01820	1.5
89.02324	17.7
93.03329	0.8
95.01264	3.3
99.00709	1.5
100.58785	0.8
101.02330	21.3
102.02630	1.3
111.04390	1.1
111.83478	0.8
113.02341	9.7
118.44397	0.8
119.03408	8.2
120.48318	0.7
123.04456	0.9
127.00368	0.9
151.03850	0.8
153.05434	0.9
161.04550	2.0
189.12776	1.5
219.13734	1.0
327.08734	3.2
336.57950	0.8
353.03986	0.8
435.00107	0.8
443.19223	100.0
444.19525	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	443.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.5
56.12389	0.5
57.03312	2.8
57.07202	0.5
58.00467	1.4
59.01255	30.2
60.01582	0.7
61.98698	1.4
69.03309	0.6
69.38438	4.0
71.01254	32.1
71.04888	0.9
71.39235	0.6
72.99174	2.5
73.02822	10.8
75.00758	0.7
83.01262	4.8
85.02824	22.2
85.99967	0.9
87.00760	2.8
87.04392	1.5
89.02319	9.7
93.03316	0.6
95.01264	2.5
97.02854	0.6
99.00775	2.6
101.02324	19.6
113.02326	10.5
119.03391	4.6
120.42066	0.5
121.02795	0.6
125.02376	1.1
129.01799	1.6
137.02347	1.9
143.03394	1.0
145.02771	0.6
145.04933	1.8
147.02887	1.0
159.02873	1.4
161.04462	4.7
163.07565	0.6
165.01909	0.6
191.01938	1.8
207.13876	3.3
221.08133	2.6
263.16507	1.6
281.17664	1.4
386.23544	0.7
422.00024	0.6
425.21808	0.9
443.22882	100.0
444.23245	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	443.2288
Annotation	Radiosumin B
Peak:m/z	Relative Intensity
55.01748	2.4
57.03318	3.1
58.00475	1.1
59.01254	61.5
60.28214	0.9
61.98691	3.0
71.01260	34.9
71.09335	1.1
71.09657	1.7
72.99188	2.1
73.02818	8.7
75.00745	2.2
83.01253	4.8
85.02827	16.5
87.00758	3.8
89.02323	16.1
95.01262	3.6
97.02789	1.0
99.00774	3.3
101.02332	23.9
101.06018	1.0
102.02646	0.8
108.17345	0.8
111.00780	1.3
113.02325	10.2
117.03369	2.2
119.03402	5.1
121.02895	1.0
125.02307	2.4
129.01790	1.5
135.04373	1.5
145.02872	8.3
148.05211	4.1
149.04413	1.0
149.05553	2.2
149.09641	1.5
150.05806	1.0
161.04480	4.2
163.03911	2.8
163.07599	5.6
164.04741	2.8
164.07913	3.1
165.08015	1.5
167.03488	1.5
177.01848	1.7
179.05614	1.3
179.07062	6.6
180.07457	1.0
187.46902	1.0
207.13873	1.8
219.06709	1.2
249.03984	1.2
263.16513	2.6
265.07257	1.2
281.17627	1.2
311.14819	1.1
325.49561	1.0
425.21780	2.2
443.13098	2.7
443.22916	100.0
444.23312	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	443.2803
Annotation	Foetidinol
Peak:m/z	Relative Intensity
50.57423	0.7
69.89122	1.7
69.89527	2.7
70.70636	0.8
115.58684	0.9
115.84793	0.9
123.04415	1.7
123.47727	0.9
125.05965	3.8
135.73450	0.8
141.84171	0.8
151.03902	8.1
165.01846	0.9
165.05383	1.3
177.01709	0.9
179.03374	2.6
180.04205	7.0
198.02010	0.8
207.10152	1.7
217.08667	3.4
221.08174	4.7
222.08839	3.4
233.08133	1.3
235.09724	73.8
236.10428	22.0
237.10744	1.0
247.09706	3.6
249.11380	5.3
249.18715	0.9
263.86279	0.9
283.60022	0.8
317.13791	1.1
357.20663	1.1
374.21057	1.3
443.28021	100.0
444.28320	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	445.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18886	0.9
59.01253	10.2
59.66610	0.8
62.53860	0.8
65.12380	0.8
70.44395	2.1
70.44748	2.2
71.01259	4.7
72.06380	0.9
75.00748	72.0
85.02879	1.0
87.00723	1.2
89.02304	6.5
96.95892	0.9
101.02312	3.3
103.00253	100.0
104.00584	1.7
104.03414	1.4
105.01827	1.9
113.02323	2.3
119.03409	2.5
143.03337	1.3
149.04459	0.9
179.05533	4.2
256.15500	0.9
341.10840	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03298	0.4
59.01252	11.2
61.98701	0.5
66.76447	0.3
71.01246	3.4
71.03576	0.8
73.02806	1.0
75.00711	0.5
83.01236	0.4
85.02036	0.3
85.02821	1.7
85.03226	0.3
87.00717	0.5
89.02306	1.0
93.03325	3.8
99.00694	0.6
101.02313	2.3
106.04090	0.5
107.01263	0.6
107.04926	0.6
108.02051	0.8
109.02834	0.5
113.02311	1.3
117.03351	25.2
118.03604	0.9
119.04915	41.9
120.05243	1.9
121.02908	0.7
123.04359	0.6
131.92223	0.3
135.04376	0.8
136.01566	0.7
137.02342	7.9
137.05981	18.6
138.01871	3.1
138.06310	0.8
145.02853	100.0
146.03206	5.3
147.04413	0.5
151.00351	2.2
151.03841	0.4
159.04483	0.4
161.02345	0.5
161.04478	0.7
161.05928	0.6
163.03918	20.0
164.04263	1.2
178.99783	0.8
179.10701	1.5
187.04007	0.9
199.03877	0.6
199.85773	0.4
205.05125	0.4
205.12315	1.2
226.02596	0.5
227.03491	0.7
241.01491	1.6
242.02161	0.7
243.02888	0.8
245.00999	0.9
255.02873	1.9
270.01685	1.9
271.02454	6.4
272.02957	0.6
281.06665	8.3
281.09619	0.4
282.07150	0.8
298.01285	1.0
299.01971	5.2
299.04825	0.4
300.02737	5.5
301.03497	7.8
302.04123	0.6
307.08237	15.2
308.08691	1.4
445.08221	1.0
445.15485	24.9
446.09924	0.4
446.15836	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	445.1507
Annotation	Tiegusanin M
Peak:m/z	Relative Intensity
59.01253	9.3
59.19124	0.4
61.26197	0.4
61.98702	0.9
63.02297	0.4
69.03313	0.4
69.37943	3.1
71.01254	6.3
73.02814	0.5
83.01279	0.4
85.02831	1.8
87.00777	0.7
89.02322	6.7
95.01253	0.4
99.00725	0.7
101.02321	3.5
107.01240	0.4
113.02341	1.7
113.81421	0.5
117.03356	24.0
118.03654	1.1
119.03515	0.5
119.04926	12.4
121.02872	0.9
125.02384	0.7
131.03387	1.5
133.06503	0.4
135.04399	0.5
137.02409	0.7
145.02861	100.0
146.03191	5.3
149.04440	2.5
151.00278	1.7
161.04587	0.5
161.05981	1.4
163.03923	12.5
177.05527	0.5
178.99751	0.8
191.05460	0.5
205.04967	2.3
206.36723	0.4
235.06082	0.5
243.02974	0.7
255.02946	1.9
258.61240	0.5
265.07217	1.2
271.02414	4.6
299.01874	0.8
300.02740	5.9
300.49054	0.4
301.03494	10.8
302.03876	1.1
445.08234	3.3
445.15018	47.7
446.15359	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	445.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88942	0.2
56.83808	0.2
59.01252	10.3
60.01570	0.3
61.98692	0.7
62.39333	0.2
64.68967	0.2
65.04754	0.2
71.01262	1.7
71.54423	0.3
72.99164	0.3
73.02828	0.2
81.03325	0.5
83.01273	0.3
85.02815	0.7
89.02309	1.5
93.03323	0.5
95.01294	0.2
95.04918	0.8
99.00771	0.3
99.79180	0.2
101.02317	1.2
108.02081	0.3
113.02340	0.9
119.03418	0.4
121.02850	0.7
122.03622	0.9
123.04415	75.8
124.04755	2.9
125.02399	0.3
137.02376	0.3
139.07404	0.3
147.04459	1.5
153.05492	100.0
154.05820	4.3
161.04491	0.2
165.09082	0.4
195.06584	0.2
209.11768	0.3
299.01666	0.3
317.73782	0.2
445.14597	0.2
445.24664	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.2
57.03312	2.0
57.39265	0.6
58.00475	2.5
59.01252	100.0
61.98701	1.5
62.49395	0.7
69.88197	3.0
70.99481	2.3
71.01254	57.2
72.01592	1.2
72.99190	3.6
73.02822	10.1
75.00758	1.1
83.01260	5.5
83.04909	1.7
85.02827	17.3
87.00750	7.6
87.04379	0.7
89.02318	47.5
90.02646	1.2
95.01283	2.8
97.02835	1.6
98.20573	0.7
99.00774	2.6
101.02325	33.3
103.03916	1.1
108.02082	1.9
111.00774	0.9
113.02330	26.2
114.02753	0.7
115.72968	0.8
117.03354	0.8
119.03390	21.1
119.04948	1.7
120.99516	1.1
123.04413	7.0
124.19398	0.8
125.02374	2.0
131.03398	9.1
140.28644	0.7
143.03442	5.6
144.03645	0.7
145.02879	2.7
146.03456	2.2
147.03304	0.8
149.04456	2.2
159.02954	2.5
161.04503	19.8
161.06017	4.0
163.03969	1.0
179.05540	29.5
179.10849	1.0
190.07614	0.7
195.04787	9.0
205.12230	1.2
221.06612	27.7
222.07050	1.4
223.13428	1.0
263.07703	5.4
303.73221	0.7
327.08850	1.1
341.12262	1.4
357.10211	1.4
445.11798	1.7
445.16806	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	445.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40239	1.0
55.01756	6.1
56.98315	1.1
57.03323	4.6
58.00468	3.2
59.01252	100.0
60.01559	1.2
61.36540	1.1
61.48338	1.2
69.03309	1.4
71.01254	84.7
72.99184	5.0
73.02819	22.5
73.11384	1.1
75.00738	2.8
80.44598	1.1
83.01256	14.4
85.02824	20.0
87.00762	7.9
87.61099	1.0
89.02319	67.6
90.02675	1.6
93.03328	1.3
95.01272	3.8
97.02843	8.5
99.00758	5.3
99.04370	1.3
101.02325	77.3
102.02680	2.0
113.02329	33.1
115.03880	2.3
119.03391	24.6
122.03637	2.2
123.04400	1.5
125.02297	2.4
131.03395	3.8
143.03409	12.1
149.04449	3.3
151.03896	2.1
152.03441	24.7
153.09059	1.3
154.20464	1.1
159.02878	3.5
161.04469	37.6
162.04767	1.4
168.79976	1.2
175.03938	1.5
176.04216	1.7
179.05536	30.2
179.10672	10.9
195.04863	1.4
197.08191	1.7
205.12363	6.7
206.02174	1.0
221.06599	7.7
223.13171	1.3
263.07675	4.3
283.11801	1.7
385.18781	1.7
445.17157	14.2
446.17273	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	445.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.0
59.01253	100.0
60.01582	1.2
61.98700	3.4
69.80433	0.9
71.01249	2.4
73.23072	1.0
77.61638	0.9
78.95783	4.3
86.11678	1.0
86.58724	0.8
89.02320	1.3
96.95905	2.5
99.08035	2.1
113.02332	1.8
119.03479	1.3
149.00026	5.8
167.07062	10.4
177.03372	1.5
184.26672	1.0
193.04861	1.1
205.15981	3.9
240.82747	0.9
243.41670	1.2
265.17975	1.7
279.19623	1.1
297.11224	3.3
355.16797	19.1
356.17163	1.7
385.17908	11.2
386.18542	1.1
445.16675	3.5
445.26193	2.2
445.32141	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	445.2079
Annotation	Sacranoside A
Peak:m/z	Relative Intensity
55.01763	4.8
57.03325	5.4
58.00473	4.1
59.01251	86.7
61.98695	2.8
66.41016	0.8
69.03333	2.6
71.01253	100.0
72.01589	1.7
72.99181	5.7
73.02821	28.3
75.00746	3.0
81.03340	0.8
83.01258	10.9
85.02824	32.7
85.99988	1.3
87.00757	8.0
89.02317	72.0
90.02640	1.1
95.01254	5.1
97.02818	3.8
99.00764	13.0
101.02320	66.0
102.02641	2.0
111.00739	3.3
113.02332	31.5
114.02669	1.1
114.35239	0.8
115.03900	3.3
119.03407	10.8
125.02353	6.7
129.01823	1.4
131.03397	21.6
137.02351	1.0
143.03400	3.8
145.02875	2.0
149.03285	1.5
149.04460	31.1
150.04759	1.3
151.11205	1.3
159.02904	4.7
161.04457	29.6
162.04753	1.1
179.05511	3.2
190.33151	0.9
191.05539	12.3
192.05830	1.0
205.03456	1.0
209.11732	2.5
215.05429	1.0
233.06653	3.6
253.08902	0.7
293.08713	2.7
295.02298	1.7
299.01895	0.8
313.16562	41.1
313.86374	0.7
314.16974	4.9
445.20654	61.9
446.21033	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47224	0.5
55.01760	1.9
57.03316	2.2
58.00463	3.3
59.01253	62.1
60.01578	1.0
69.03333	2.2
71.01254	72.0
71.39346	0.5
72.01575	0.7
72.99180	2.6
73.02820	20.1
75.00751	1.4
81.03339	0.7
83.01247	4.7
85.02824	16.5
87.00751	2.1
89.02318	100.0
90.02650	1.8
95.01273	3.1
97.02825	3.6
98.03188	0.6
98.20558	1.3
99.00759	23.2
99.04415	0.9
100.01093	0.7
101.02327	41.6
102.02650	1.1
111.00756	0.7
113.02332	14.4
113.94866	0.6
115.03888	2.3
119.03410	4.1
125.02342	11.8
125.03237	1.0
129.49306	0.5
131.03400	19.1
132.03726	0.5
133.10110	1.6
138.00427	0.5
139.03896	0.5
143.03381	2.8
149.04465	46.0
150.04762	1.7
151.11188	7.9
159.02899	1.5
161.04471	8.6
165.09116	0.6
175.06091	0.7
191.05525	12.9
221.06546	0.7
233.06602	7.2
234.06950	0.7
251.07513	1.3
261.46970	0.5
285.22751	0.6
293.08780	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52692	0.7
53.44730	0.7
59.01252	100.0
63.33002	0.7
65.81867	0.9
69.81908	2.8
71.01256	17.4
83.04872	2.1
85.02818	2.6
87.00760	1.4
89.02316	30.1
89.70116	0.8
98.19820	0.8
101.02324	9.0
113.02328	7.9
119.03381	11.6
123.04420	1.1
131.03423	1.4
143.03395	2.1
149.04480	1.7
161.02303	1.0
161.04471	4.2
179.05527	17.8
179.06984	1.4
209.08115	1.7
241.25989	0.8
290.06284	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.7
59.01252	100.0
60.01564	1.2
71.01256	20.4
71.31031	1.8
72.99184	1.6
73.02849	1.0
79.04549	0.7
85.02842	2.1
87.00780	1.6
89.02320	35.7
95.01293	1.6
101.02330	12.0
103.03867	0.8
113.02328	9.8
119.03391	11.6
123.04422	0.9
129.30632	0.8
131.03438	1.8
143.03423	3.4
149.04468	2.0
152.08289	0.7
153.09152	1.2
161.04480	6.9
179.05534	18.0
179.06955	1.4
180.05815	0.9
254.39354	0.8
286.26389	0.8
297.73413	0.8
327.08551	0.8
445.20941	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	4.6
70.74372	0.7
70.74705	0.4
71.01262	0.8
75.11877	0.4
78.95779	20.0
89.02322	0.8
94.98936	0.4
96.95922	1.0
101.02340	0.3
104.97363	0.5
107.54556	0.3
110.97636	0.7
110.98416	14.4
119.14510	0.3
121.02798	0.5
129.76483	0.3
137.00005	0.5
152.99478	0.6
167.01068	14.0
185.02110	3.5
190.13597	0.3
233.22662	0.4
239.37758	0.3
259.20340	0.4
269.79132	0.3
277.21725	100.0
278.22046	10.8
301.06619	0.4
420.95523	0.4
445.23557	16.5
446.23752	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	447.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01318	0.4
59.01254	4.0
61.80309	0.3
61.98703	0.4
71.01254	3.7
71.12616	0.7
73.02810	1.5
83.01258	0.5
85.02800	1.7
89.02314	0.9
94.22978	0.4
95.01241	0.4
95.04866	0.6
99.00751	0.7
101.02319	2.5
109.02833	1.2
110.93504	0.3
113.02316	1.4
122.03603	0.4
123.04422	5.0
124.94267	0.3
127.92178	0.3
131.03394	1.3
139.79559	0.4
145.02863	0.6
148.01604	0.4
150.03107	0.6
151.00214	0.4
151.03908	1.3
151.79463	0.3
161.04446	1.3
163.03897	0.6
167.04950	0.6
178.99823	0.4
183.04504	0.6
195.04462	1.4
196.05222	0.4
198.03168	0.5
199.03847	0.5
211.03920	2.7
212.04675	0.5
213.05376	0.5
223.03929	2.3
224.04662	0.8
227.03459	1.0
237.01877	0.5
239.03468	6.1
240.04123	2.0
241.04945	0.4
251.03494	2.8
252.00630	0.8
254.02072	0.6
255.02882	1.7
257.04633	0.5
265.01450	0.7
265.04800	0.4
266.02170	0.9
267.02948	13.0
268.03708	6.5
269.04276	0.8
271.02478	1.9
279.03052	0.6
281.04370	0.4
282.01749	5.0
283.02512	2.7
284.03177	1.1
285.03989	1.0
293.00873	1.5
294.05319	0.7
295.02469	69.5
296.03140	28.1
297.03906	4.7
298.25674	0.4
300.02740	3.2
301.03540	2.5
309.04108	1.7
310.04398	0.6
315.18204	3.3
321.03922	0.5
322.01245	0.8
323.01929	8.9
324.02347	1.2
325.03586	2.5
328.02277	3.1
337.03629	0.9
338.04291	0.6
403.08051	0.9
410.21814	0.4
429.06186	1.0
437.50629	0.3
447.07202	100.0
447.22098	1.7
448.07556	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	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.3
59.01254	6.2
61.98698	0.4
63.02263	0.4
65.00196	0.4
69.33055	0.7
69.33480	0.6
72.99187	0.3
73.02831	0.3
75.00749	0.2
83.01256	0.4
85.02825	0.5
89.02316	0.8
89.95938	0.2
89.96548	0.2
93.03341	0.7
95.01218	0.2
101.02332	0.9
107.01271	1.0
108.67128	0.2
108.83221	0.2
113.02320	0.7
115.00303	0.2
117.03330	0.4
119.03381	0.5
123.00779	0.2
124.01550	0.3
125.02305	0.6
127.82671	0.2
131.03400	0.2
132.02068	0.3
135.00784	0.5
135.04373	0.3
137.02254	0.2
151.00276	2.6
153.01828	0.5
159.02939	0.3
159.04405	0.5
161.02368	0.2
161.04448	0.6
163.00275	0.9
164.01021	0.3
165.01886	0.2
167.04999	0.2
168.98196	0.2
169.01309	0.5
171.04440	0.2
174.03152	0.6
175.03867	0.5
178.99701	0.5
182.03612	0.3
183.04477	1.2
184.05022	0.2
185.02342	0.2
185.05966	0.4
185.64668	0.2
187.03882	0.5
189.05554	0.3
191.05574	0.4
199.03963	0.3
201.05359	0.2
211.03914	1.9
212.04475	0.3
213.05475	0.5
215.03485	0.3
227.03453	68.6
228.03801	5.5
229.05022	1.7
230.78284	0.2
238.22163	0.2
239.03468	0.9
240.04298	0.3
241.05025	0.4
255.02966	87.7
256.03519	13.4
257.04410	2.2
269.04489	0.3
283.02448	0.4
284.03253	75.8
285.03943	26.5
286.04352	2.2
288.02496	0.2
301.03510	0.3
315.01349	0.5
327.05042	1.2
328.05267	0.2
365.59241	0.2
387.20093	0.6
447.09314	100.0
448.09662	12.1
448.15991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91366	0.7
59.01233	2.4
65.00208	1.1
67.89423	0.7
70.89612	0.7
71.01244	1.9
71.03645	1.6
83.01275	0.8
100.20734	0.7
107.01268	2.3
108.02045	1.2
109.02825	1.2
117.03352	1.6
119.59473	0.7
121.02845	1.9
124.01529	0.7
135.04424	1.2
145.02856	8.3
146.03189	0.7
147.03311	0.8
150.99321	0.8
151.00299	9.8
153.01814	0.7
163.00246	3.0
163.03853	1.1
178.99782	4.1
187.03925	0.9
199.03755	0.9
200.04652	0.8
201.01959	0.7
211.03914	1.2
215.03535	0.8
216.04282	0.8
226.02615	2.6
227.03450	5.2
229.05095	0.8
242.02057	1.2
243.02953	17.3
244.03320	1.0
245.04616	0.9
254.02206	3.0
255.02995	19.2
256.03433	1.4
257.04562	1.8
270.01697	2.0
271.02481	55.5
272.02914	6.8
273.03967	1.2
283.02344	0.9
284.03238	2.1
285.03955	5.0
286.04590	1.4
299.02075	3.2
300.02747	85.8
301.03485	48.3
302.03815	5.8
307.08273	1.1
314.04330	7.3
315.04785	1.3
447.09262	100.0
448.09659	15.9
448.15326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58820	0.3
54.82721	0.3
59.01251	1.6
60.63915	0.3
69.19537	3.0
88.92335	0.3
93.03313	0.5
107.01311	0.5
140.08318	0.3
151.00285	1.7
153.01753	0.6
178.99796	0.5
183.04477	0.6
187.03876	0.5
188.88211	0.3
211.03970	0.7
227.03450	36.3
228.03783	2.8
229.05066	1.1
240.03906	0.5
255.02977	47.6
256.03540	7.4
257.04443	1.1
284.03262	49.4
285.03946	17.7
286.04398	1.4
306.78870	0.3
318.53519	0.3
327.05136	1.5
370.75070	0.3
447.09317	100.0
448.09656	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02279	0.9
65.00188	2.1
69.33009	5.2
75.91365	0.7
80.96530	0.6
83.01260	2.0
91.01769	0.9
91.22468	0.6
98.19855	1.6
104.40823	0.6
107.01255	5.6
108.02055	1.9
109.02850	5.7
115.16425	0.6
119.01227	1.0
121.02852	5.0
124.01517	0.9
135.00792	1.3
138.92201	0.6
148.01550	2.3
151.00276	23.4
152.00612	0.8
153.16431	0.6
159.04419	0.7
163.00276	6.5
164.00946	0.9
169.01291	1.2
178.99785	10.6
181.44243	0.7
183.04408	1.8
187.03941	2.1
190.99680	1.0
198.03146	0.9
199.03873	1.8
201.05502	1.1
211.03925	3.9
215.03319	1.5
226.02716	1.0
227.03456	42.8
228.03856	2.4
229.04880	3.2
239.03508	1.2
243.02969	15.1
244.03419	0.8
245.04474	4.2
254.02222	2.6
255.02968	75.4
256.03503	8.5
257.04593	1.5
271.02472	72.7
272.02872	8.4
273.03915	2.3
283.02490	2.6
284.03265	26.4
285.03976	12.1
286.04608	0.8
299.01971	2.5
300.02747	100.0
300.99649	0.9
301.03491	79.4
302.03891	6.2
447.09308	87.6
448.09683	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84253	0.8
57.53032	0.9
59.01247	3.8
61.98706	1.1
62.85147	1.0
63.02270	1.2
63.25221	0.8
65.00199	1.5
67.47513	0.8
69.30120	7.3
70.80462	0.9
71.01244	1.4
76.85322	0.9
83.01252	2.1
93.03401	1.7
107.01265	5.2
108.02056	1.3
108.24815	0.8
109.02850	4.2
111.65992	0.8
121.02859	4.2
123.00774	1.5
135.00888	1.2
141.24089	0.9
143.93097	0.8
148.01602	1.6
150.99109	1.7
151.00287	23.8
152.01009	1.7
153.01770	1.2
159.04416	1.4
161.02399	0.9
163.00290	6.7
173.05980	1.2
178.99794	11.0
183.04459	2.4
185.05937	1.0
187.03905	2.8
192.00568	1.1
195.04451	1.1
199.03984	3.3
200.04538	1.2
201.05602	1.5
211.03931	4.1
226.02696	1.6
227.03423	9.3
228.03990	1.1
229.05051	2.1
239.03418	1.5
243.02936	15.1
244.03403	1.7
245.04552	3.5
254.02135	2.6
255.02977	37.2
256.03427	3.6
257.04556	6.8
271.02478	54.2
272.03098	10.0
273.03952	3.5
283.02420	6.9
284.03134	3.4
285.04251	1.2
299.01920	1.1
300.02747	65.8
301.03522	100.0
302.03845	10.1
334.11563	0.9
447.09338	56.9
448.09741	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	447.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.3
61.98702	6.7
63.02246	0.6
69.30338	2.0
71.01254	2.0
73.02809	0.6
76.18527	0.2
83.01224	0.4
85.02812	0.9
86.26180	0.2
87.00730	0.3
89.02309	0.5
90.69238	0.2
93.03278	0.3
97.02776	0.3
98.19845	0.6
99.00713	0.3
101.02300	0.8
107.01231	0.4
108.83724	0.3
109.02817	0.4
113.02309	1.0
117.03353	28.5
118.03683	1.2
119.04919	12.3
120.05246	0.7
121.02824	0.8
123.04436	0.4
124.01560	27.4
125.01879	1.1
137.02451	0.3
139.03914	47.3
140.04283	1.5
145.02859	100.0
146.03188	5.6
151.00294	1.3
159.04483	0.4
161.04630	0.3
161.06012	0.9
163.03923	11.1
164.04253	0.3
175.04059	0.4
178.99785	0.7
187.03908	1.3
200.02719	0.4
201.05589	0.4
201.11427	0.3
205.05098	0.7
227.03447	2.3
229.04979	0.3
243.03120	1.1
247.05981	0.6
255.02960	4.6
256.03473	0.5
271.02472	4.6
272.03128	0.7
283.02567	0.2
284.03311	1.6
285.04144	1.1
296.03177	0.2
300.02747	6.8
300.06061	0.5
301.03482	5.6
302.03998	0.7
307.08231	38.5
308.08554	4.0
324.55359	0.3
389.95432	0.3
447.13684	16.4
448.13846	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	447.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01013	3.3
59.01348	15.3
61.98777	0.8
63.02332	0.4
65.00298	1.1
69.80889	0.8
69.81301	1.2
71.00932	0.7
71.01356	5.0
72.99258	0.8
73.02936	1.1
74.79510	0.3
77.85809	0.4
83.00899	0.7
83.01368	1.5
85.02933	1.6
89.02335	2.0
91.01904	0.4
93.03432	0.6
95.01328	0.7
95.06668	0.4
98.19888	0.6
98.33153	0.4
101.02321	2.6
107.01277	2.0
108.02065	3.7
109.02857	4.1
113.02329	2.2
117.03358	29.2
118.03768	1.4
119.03487	0.8
119.04926	7.1
120.05379	0.6
121.02825	2.9
123.00781	6.2
123.04459	0.5
124.01571	11.9
125.02386	1.8
132.02077	2.7
133.02898	1.2
134.03619	2.7
135.00768	0.5
135.04436	0.7
138.03140	1.8
139.03923	5.8
145.02866	100.0
146.03183	4.5
148.01538	0.8
149.06000	0.4
151.00290	9.6
159.04443	0.7
160.01575	13.1
161.02380	2.8
161.04486	0.8
163.00352	1.9
163.03922	6.8
164.04237	0.5
167.05067	0.4
169.01395	0.5
173.06012	0.5
175.03925	14.4
176.04201	0.7
178.99780	4.6
179.03296	0.5
183.04401	0.5
185.05939	0.5
187.03838	1.4
191.05415	0.6
193.01440	0.4
193.04903	1.5
199.03793	0.7
201.05383	0.6
203.03319	0.6
211.03734	1.3
226.02444	0.9
227.03473	11.7
228.03763	0.9
229.04829	0.9
243.02972	4.5
245.04242	1.2
254.01868	0.7
255.02985	26.8
255.05424	1.3
256.03403	3.9
271.02487	26.8
271.05118	1.3
272.02881	2.9
273.03720	0.9
283.02121	1.1
284.03268	8.6
285.03964	4.1
295.24405	0.4
299.01437	0.8
300.02744	37.8
300.05902	2.1
300.07458	1.5
301.03479	32.2
301.06693	1.9
302.03839	3.6
307.08215	10.9
307.11374	0.7
308.08350	0.9
337.08453	2.0
447.07733	25.3
447.12192	5.5
447.18628	2.5
447.21460	1.4
447.25540	0.6
448.07971	3.7
448.12656	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	7.8
60.36973	0.3
61.98652	3.1
63.02242	0.6
65.41281	0.2
69.32835	2.1
70.25862	0.3
71.01257	4.7
72.99187	0.5
73.02828	1.4
75.00704	0.8
83.01208	0.8
85.02827	1.9
89.02315	2.0
93.03309	0.6
95.04919	0.3
96.02016	0.3
99.00725	0.8
101.02327	2.6
107.01237	0.6
108.02040	0.4
109.02789	0.4
113.02328	1.7
114.20345	0.3
115.00238	0.3
117.03350	27.2
118.03654	1.1
119.03406	0.6
119.04918	12.2
120.05219	0.4
121.02821	0.6
123.04385	0.3
124.01556	28.6
125.01898	0.9
131.03381	0.3
133.06520	0.3
135.04413	0.3
137.02307	0.3
139.03912	45.0
140.04245	1.5
140.67285	0.3
145.02856	100.0
146.03188	5.0
147.04517	0.4
148.01566	0.5
149.04454	0.6
151.00296	1.8
151.03882	0.3
159.04393	0.7
161.04500	1.2
161.06026	1.0
161.80795	0.3
163.00313	0.4
163.03926	11.5
164.04247	0.4
172.85493	0.3
173.06053	0.3
178.99860	0.9
185.06046	0.4
187.03909	1.4
203.07123	0.4
205.04944	0.6
211.04013	0.5
226.02840	0.3
227.03386	3.3
228.03909	0.3
229.05095	0.5
243.02901	1.3
247.06311	0.7
255.02953	6.5
255.05391	0.4
256.03653	1.2
271.02451	6.1
272.03088	0.9
283.02612	0.7
284.03287	3.2
284.06039	0.3
285.03946	1.7
295.02426	1.6
296.03372	0.5
300.02722	8.1
301.03476	8.0
301.16821	0.8
302.04031	0.5
307.08237	36.5
308.08572	3.6
315.18170	0.5
323.02249	0.4
387.20624	0.3
429.00644	0.3
430.25974	0.3
447.08853	3.2
447.13989	16.4
447.22348	0.5
448.14365	1.8
470.15894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31865	0.5
55.21526	0.4
59.01258	6.4
62.96277	1.8
70.30280	0.7
71.01225	0.5
78.95782	43.0
82.84346	0.5
96.96836	2.7
98.20390	0.6
101.02289	0.5
115.65238	0.5
131.27322	0.5
149.00003	20.8
150.00369	0.5
154.50699	0.4
158.92465	1.9
179.01076	3.0
202.71375	0.4
205.16005	1.1
243.02931	0.5
255.02997	1.6
271.02505	1.3
284.03265	0.8
285.04050	0.7
300.02783	2.9
301.03424	2.7
366.91391	0.5
417.12521	0.6
431.10352	2.6
447.13467	100.0
448.13803	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	447.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	86.6
70.77437	5.0
71.01255	11.9
71.53565	6.3
72.35331	4.4
73.56695	3.7
82.69764	3.8
85.02844	5.7
89.02338	7.2
89.89948	4.8
109.84106	4.0
115.16087	3.9
124.01586	10.8
137.02391	8.8
139.03903	24.3
151.00319	4.1
195.03021	21.0
210.05263	38.0
225.07645	100.0
226.07962	5.1
254.26483	4.4
320.67416	4.4
447.15042	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	447.1511
Annotation	CHEBI:68964
Peak:m/z	Relative Intensity
55.30883	0.6
59.01249	8.0
70.45332	1.9
71.01263	4.0
73.02837	0.7
81.03326	0.9
85.61593	0.6
89.02328	7.5
96.13274	0.8
99.00778	1.6
101.02345	1.9
113.02390	0.8
123.04420	65.5
124.04732	3.5
125.02357	3.8
131.03418	1.5
148.96344	0.6
149.04442	1.8
153.05489	100.0
154.05794	4.2
161.04410	0.9
191.05557	1.2
194.67087	0.7
233.06729	4.7
289.25900	0.7
293.08795	9.3
294.09186	0.9
415.89087	0.7
447.15073	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	447.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.1
59.01252	100.0
61.98691	2.4
71.01249	7.2
71.53702	1.7
73.02827	1.2
83.01264	2.2
85.02818	3.0
87.00763	1.0
89.02306	3.4
101.02317	4.8
113.02342	2.3
119.03460	1.1
121.02834	1.8
135.50826	1.1
151.00275	5.1
161.04468	2.5
163.00299	2.0
178.99771	3.8
211.04160	0.9
211.13280	2.9
221.81120	1.0
225.14790	1.2
226.11026	3.8
227.03505	9.4
241.13510	6.2
243.02841	3.0
255.00607	1.2
255.03009	16.7
256.03372	2.7
271.02499	16.4
284.03326	8.5
285.03870	4.4
285.12488	12.3
295.02405	1.4
299.14026	1.2
300.02762	23.1
301.03510	21.3
302.03973	1.6
325.16980	1.0
327.13400	2.1
429.24826	2.6
432.05353	1.1
447.09357	30.0
447.16531	2.4
447.25919	3.7
448.09760	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	447.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01598	1.2
61.98711	1.2
66.61065	0.8
71.01258	2.6
74.07337	0.7
78.95777	3.5
85.02819	0.8
89.02311	1.5
96.95908	2.0
101.02319	2.0
104.22322	1.0
107.01315	1.1
108.02036	0.9
109.02841	1.6
113.02328	1.0
113.96651	0.7
117.03348	0.8
119.04909	0.9
121.02838	0.9
137.02373	1.2
145.02872	2.9
151.00302	4.4
152.99484	5.8
161.02422	0.8
161.04482	1.4
163.00165	1.4
169.01405	0.8
178.99799	2.7
183.04518	0.9
199.03926	1.0
211.04050	1.4
211.13393	7.5
225.14957	0.8
227.03461	10.3
228.03920	1.5
229.28702	0.8
243.02989	2.9
255.02974	22.3
256.03470	3.1
271.02484	16.6
272.02921	2.1
283.02582	0.9
284.03271	11.8
285.04062	6.9
295.02386	1.2
300.02744	30.6
301.03485	24.8
302.03885	2.0
313.35785	0.7
432.15851	1.3
447.09265	39.5
447.23486	2.6
448.09628	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	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	5.1
55.63513	0.3
57.03327	4.2
58.00472	2.1
59.01254	39.6
60.01594	0.7
61.98705	0.5
62.76750	0.3
66.05841	0.3
68.99702	0.7
69.03315	1.5
69.31821	1.1
69.32243	1.2
71.01256	73.6
72.01601	1.3
72.99191	2.5
73.02822	24.3
75.00751	1.5
81.03349	0.6
83.01257	9.8
84.02042	0.4
85.02827	28.1
85.99952	0.6
86.03163	0.6
87.00748	3.2
89.02321	27.5
90.02647	0.4
95.01262	4.4
97.02840	2.9
99.00283	0.2
99.00760	10.9
101.02327	46.5
102.02666	1.3
107.46832	0.3
108.02073	0.3
111.00774	2.2
112.01121	0.3
113.02335	25.1
114.02645	0.6
115.03905	1.0
119.03388	3.4
123.00826	0.3
123.04411	0.9
125.02347	3.5
126.02605	0.3
129.01837	1.1
131.03400	11.0
132.03752	0.4
137.02441	0.3
137.95088	0.3
143.03398	2.8
145.92587	0.3
149.04463	7.5
150.04791	0.5
151.00261	0.7
153.09125	0.4
159.02925	5.1
161.04478	31.2
162.04851	1.3
179.05557	0.7
191.05498	1.6
198.43370	0.3
205.03496	0.9
212.70924	0.3
215.05560	0.7
227.03387	0.6
233.06618	2.9
234.06825	0.3
239.03424	0.6
243.02936	0.4
251.03572	0.4
255.02960	1.4
261.77548	0.3
267.02911	0.9
268.03592	0.8
271.02554	1.1
283.02399	0.3
284.03253	0.7
293.08789	1.2
295.02496	7.5
296.03122	2.5
297.03934	0.3
300.02814	1.6
301.03491	1.1
315.18118	51.5
316.18488	5.2
323.01959	0.6
338.04062	0.3
359.17136	0.6
447.07370	12.5
447.22256	100.0
448.07895	2.4
448.22629	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	447.2237
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
51.62272	0.3
55.01762	3.2
57.03328	2.2
58.00461	0.9
59.01251	20.8
60.01605	0.3
64.07857	0.3
67.79728	0.3
69.03328	1.0
69.42639	2.1
69.47646	0.3
71.01254	46.8
72.01575	0.8
72.99181	1.4
73.02820	19.0
74.03182	0.3
75.00760	1.3
75.93188	0.3
81.03332	0.6
81.76190	0.3
83.01259	7.9
84.02067	0.5
85.02822	22.7
85.99994	0.7
86.03150	0.5
87.00734	2.5
87.43434	0.3
89.02318	7.8
89.02829	0.6
95.01258	3.2
97.02832	2.7
99.00758	9.4
101.02323	42.1
102.02678	0.8
109.26855	0.3
111.00742	0.7
113.02329	20.3
114.02634	0.4
114.81901	0.3
115.03907	1.2
119.03365	0.5
123.04404	0.6
124.10395	0.3
125.02323	2.3
129.01849	1.5
131.03397	2.2
131.61192	0.3
137.02318	0.6
143.03404	2.7
149.04491	1.0
151.00224	0.3
153.12651	0.4
159.02899	4.9
161.04462	27.1
162.04854	1.0
191.05411	0.4
205.03473	0.5
223.13379	0.5
227.03391	0.5
233.06787	1.6
243.02924	0.6
255.02980	0.7
267.02924	0.4
271.02527	0.8
293.08716	0.5
295.02420	3.5
296.03073	0.9
300.02771	1.9
301.03186	0.6
315.18118	50.3
316.18478	5.4
323.01797	0.5
331.17719	0.6
359.17126	0.9
401.12534	0.3
431.91147	0.3
447.08356	4.1
447.22281	100.0
448.08026	1.0
448.22638	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	447.2239
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01759	2.3
57.03319	2.4
58.00468	4.1
59.01252	100.0
60.01594	1.2
69.03340	0.7
69.25713	2.0
69.26138	1.6
71.01255	65.2
72.01592	1.2
72.99182	4.5
73.02820	10.0
74.03152	0.5
75.00735	0.6
81.92895	0.4
83.01259	4.6
83.48796	0.4
85.02827	15.6
85.99981	1.0
87.00754	5.7
89.02319	83.0
90.02654	1.7
95.01249	2.1
97.02844	1.2
98.19733	0.8
99.00761	4.4
101.02326	41.3
102.02670	1.0
111.00753	1.9
113.02338	17.5
114.02631	0.5
115.03886	1.0
119.03394	16.1
125.02332	2.4
131.03400	31.8
132.03738	1.2
134.79187	0.4
138.01857	5.4
139.02188	1.6
143.03430	3.3
149.04465	32.3
150.04784	1.1
161.04506	3.8
179.05539	4.2
191.05540	13.2
224.22365	0.5
233.06589	1.2
251.07692	0.6
255.02959	0.5
271.02158	0.8
283.10327	0.4
284.03149	0.4
300.02579	1.2
301.03345	1.0
315.18109	4.2
316.18317	0.7
355.45273	0.4
447.08902	1.1
447.22183	9.1
448.22574	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37403	0.5
54.09661	0.5
55.01760	2.3
57.03328	1.4
58.00467	3.6
59.01251	83.3
60.01575	0.8
60.49542	0.5
69.03339	1.3
71.01254	63.2
71.03104	1.3
72.01583	1.4
72.99185	3.2
73.02821	17.1
83.01253	4.1
85.02817	11.8
85.03283	0.9
87.00751	3.6
89.02317	100.0
90.02679	2.0
95.01263	3.1
97.02785	1.3
99.00752	16.3
101.02322	44.8
102.02689	1.3
111.00742	0.7
113.02335	22.6
114.02672	0.7
114.89056	0.5
115.03888	0.9
119.03391	24.9
120.03817	1.0
125.02304	4.0
131.03397	14.6
138.07327	0.5
138.74550	0.5
143.03392	4.3
149.04462	40.3
150.04790	1.2
159.02888	0.7
161.04471	7.5
179.05539	9.7
180.05765	0.8
191.05528	9.7
211.13298	1.8
221.06651	1.7
233.06662	1.7
251.07726	2.5
255.02867	0.6
271.02426	0.9
284.03159	0.7
293.08786	0.9
300.02701	1.5
301.03424	1.0
310.05130	0.6
315.18137	11.8
316.18222	1.3
378.10721	0.6
447.08899	2.3
447.22308	28.3
448.22604	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.0
57.03313	1.0
59.01253	100.0
60.01600	1.2
61.31159	0.4
69.33409	2.1
69.33823	1.4
71.01256	15.9
72.01605	0.5
73.02824	4.4
75.00777	0.6
83.01253	1.3
85.02818	7.3
89.02303	2.3
91.83596	0.4
95.01254	1.2
99.00758	2.3
101.02328	10.4
113.02336	6.9
119.03421	0.8
125.02364	1.0
140.02013	0.4
143.03439	0.8
159.02882	2.3
161.04468	23.0
162.04849	1.3
173.01721	0.5
183.10289	0.5
191.40500	0.4
200.59828	0.5
289.96750	0.4
300.02695	0.5
387.20294	10.3
388.20764	1.1
391.42004	0.5
447.22656	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61217	0.3
58.00462	0.4
59.01250	100.0
60.01592	1.0
61.98728	0.3
62.49937	0.3
68.39655	0.3
71.01259	6.0
71.11616	0.5
73.02830	0.7
74.89458	0.3
85.02821	1.3
87.00762	0.6
89.02321	5.4
101.02330	3.0
113.02302	2.0
119.03377	2.5
131.03372	0.4
143.03391	0.6
161.04463	2.6
164.61275	0.4
179.05569	1.3
189.12836	1.6
207.13864	0.9
387.20248	2.9
447.22781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31443	0.4
55.01761	0.7
57.03330	1.1
59.01254	100.0
60.01577	1.1
61.98708	1.0
71.01259	17.9
71.40660	0.4
72.01558	0.4
73.02830	5.0
83.01272	1.4
85.02826	6.3
85.03342	0.4
87.00745	0.4
89.02319	2.7
90.26230	0.3
95.01296	0.7
97.02843	0.8
99.00764	1.8
101.02323	10.1
113.02331	7.6
119.03431	0.7
119.49831	0.4
121.04306	0.4
129.01926	0.4
143.03419	1.3
152.03493	1.1
153.03828	0.8
159.02972	2.4
161.04465	24.9
162.04842	0.9
181.05029	0.5
205.03552	0.6
225.14995	0.4
381.44986	0.4
381.81760	0.4
387.15799	0.3
387.20282	8.1
388.20624	1.5
431.19519	0.6
443.66376	0.4
447.22739	0.7
459.85110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.7
59.01253	100.0
60.01599	1.6
61.01686	0.5
61.98707	6.2
61.99007	0.6
70.92558	0.9
71.01254	11.7
72.99184	0.4
73.02820	2.3
75.00767	0.5
83.01286	1.1
85.02817	3.6
87.00747	0.8
88.98735	0.6
89.02320	11.7
90.02625	0.6
95.01294	0.8
99.00784	1.3
101.02327	7.7
102.02686	0.5
104.93432	0.4
108.01994	0.4
109.02830	0.6
113.02344	5.1
116.92741	0.4
119.03391	5.1
123.04384	0.6
131.03424	1.0
131.12123	0.4
143.03494	1.2
149.04498	0.5
155.91899	0.4
159.02951	0.5
161.02460	0.5
161.04520	4.8
161.05925	0.6
163.11258	0.5
179.05557	3.3
190.80989	0.4
197.04472	0.4
223.07106	0.4
225.15034	0.5
301.03378	0.5
387.20465	3.8
394.14423	0.5
447.09256	0.6
447.18619	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	447.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87574	0.7
53.32188	0.8
57.03336	0.9
59.00954	1.0
59.01252	20.2
61.98691	1.7
65.41235	0.8
70.03322	1.2
70.03721	2.2
71.01243	2.0
80.41740	0.8
80.64712	0.8
85.02809	0.9
89.02327	1.2
96.61498	0.8
101.02303	1.7
113.02344	1.3
117.03345	16.7
119.04916	48.4
120.05238	1.7
121.02826	0.8
126.25119	0.9
136.64182	0.8
145.02858	100.0
146.03195	4.3
151.00250	2.3
161.02353	2.2
161.04370	1.3
163.03918	36.8
164.04276	2.0
178.99756	1.0
204.84061	0.8
208.07805	0.8
211.13289	1.0
221.19089	8.8
222.09520	0.8
222.19241	0.8
227.03450	4.2
243.02992	1.6
255.02951	7.3
256.03531	1.0
265.18085	5.3
271.02423	7.1
283.19138	8.5
284.03198	2.7
284.19604	1.0
285.03897	1.9
300.02771	10.3
301.03485	8.7
301.20197	21.3
302.20544	2.4
305.44702	0.9
387.20322	1.1
429.22809	1.0
447.09552	11.9
447.23865	52.5
448.09320	1.7
448.24179	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	447.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53706	0.4
59.01239	1.7
70.22962	1.0
71.71389	0.3
75.07549	0.3
78.95776	5.3
82.28899	0.3
84.30604	0.3
96.37291	0.3
98.01120	0.3
109.55206	0.3
110.95962	0.4
110.98415	4.0
119.39109	0.4
124.97726	0.4
140.99370	0.3
167.01089	1.6
185.02121	4.0
216.46008	0.4
279.23279	100.0
280.23611	11.0
341.71198	0.3
381.05255	0.4
447.25201	4.8
448.25443	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86565	0.4
55.01760	4.8
56.99678	0.3
57.03329	4.0
58.00473	3.4
59.01255	67.4
60.01576	0.8
63.51451	0.3
69.03357	0.4
69.40440	2.4
71.01257	61.9
72.01602	1.2
72.99187	3.4
73.02824	12.5
74.03152	0.3
75.00752	0.7
75.40718	0.3
83.01260	8.7
83.04902	0.8
84.02070	0.5
85.02827	23.1
86.03163	0.8
87.00752	4.2
89.02322	25.9
90.02672	0.5
95.01257	4.3
97.02815	0.7
98.20499	0.8
99.00758	5.0
99.04402	0.4
101.02328	45.3
101.60047	0.4
102.02662	1.1
111.00761	0.6
113.02335	22.8
114.02670	0.7
119.02567	0.7
119.03396	10.5
119.04243	0.5
125.02335	0.8
129.01866	0.8
131.03398	1.0
143.03383	2.1
149.04489	0.8
151.00327	0.5
155.14346	2.2
159.02881	3.1
159.59189	0.3
161.04468	10.8
162.04906	0.5
167.14323	1.3
169.15868	2.3
179.05501	1.3
185.15440	4.1
205.03513	0.4
205.19560	0.8
223.20633	3.4
227.03465	1.0
241.21777	0.5
249.97162	0.3
255.02998	1.8
267.19656	1.7
271.02484	1.9
284.03397	0.7
285.20703	1.5
300.02716	2.6
301.03424	2.2
302.04007	0.5
390.13937	0.4
403.26993	3.0
404.27499	0.5
429.24789	0.9
447.09647	2.8
447.25995	100.0
448.26370	16.1
448.31183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.6
57.03325	1.1
57.54013	0.3
57.62801	0.3
58.00468	2.0
59.01252	45.6
60.01584	0.6
61.98698	0.6
69.03316	1.0
71.01256	26.3
72.99185	2.7
73.02822	1.5
83.01263	1.4
85.02826	6.3
87.00769	1.3
89.02320	30.4
90.02666	0.8
95.01278	1.4
95.04887	0.6
96.95913	0.7
99.00762	0.7
101.02325	18.8
111.04414	0.7
113.02333	11.1
119.03396	15.6
125.02322	0.6
129.01834	0.5
131.03389	1.8
143.03400	2.8
145.02872	0.6
149.04478	0.9
151.00293	1.2
155.14307	1.1
161.04457	2.9
178.61900	0.3
178.99918	0.4
179.05515	4.9
181.15936	2.1
182.16321	0.4
186.05865	0.4
187.14877	0.3
203.17967	0.6
205.19559	100.0
206.19902	9.4
211.13336	0.6
219.17490	2.3
227.03453	2.3
243.02914	0.7
249.18530	0.4
255.02977	4.5
256.03455	0.9
267.19720	0.5
271.02509	3.2
284.03326	2.2
285.03912	1.0
300.02759	6.3
301.03522	4.5
302.03906	0.7
447.09201	7.0
447.26031	17.7
448.09634	1.1
448.26358	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	447.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80780	0.3
55.01761	0.7
57.03325	1.0
58.00473	1.7
59.01253	48.1
60.01591	0.6
61.98707	1.1
69.03336	1.3
70.54678	0.9
71.01257	29.1
72.01599	0.6
72.99186	2.9
73.02839	1.4
75.91388	0.3
78.95784	0.5
83.01274	1.3
83.04904	0.3
85.02827	7.2
87.00768	1.6
89.02319	36.8
90.02641	0.8
93.03340	0.3
95.01244	1.9
95.04932	0.8
96.95914	1.0
97.02842	0.4
99.00756	0.7
99.18034	0.3
101.02330	21.2
102.02696	0.4
107.01325	0.5
111.04387	0.4
113.02337	11.6
119.03392	18.5
121.02825	0.4
125.02352	0.6
128.84932	0.3
131.03384	1.8
131.88362	0.3
141.12816	0.3
143.03423	2.8
149.00027	0.6
149.04482	1.9
151.00252	1.9
155.14333	0.9
161.04472	3.8
163.00345	0.5
167.14333	0.3
178.99811	0.9
179.05534	6.5
181.15918	1.5
196.97827	0.3
205.19562	100.0
206.19904	9.6
211.03786	0.4
211.13274	0.5
219.17482	1.6
227.03432	3.0
227.05106	0.3
243.02979	0.8
255.02979	5.4
256.03522	0.7
267.19711	0.4
271.02496	4.9
272.02911	0.4
283.02597	0.5
284.03296	2.6
285.03979	1.3
285.21027	0.4
287.05853	0.3
295.02625	0.4
300.02771	8.9
300.06137	0.5
301.03494	6.3
301.06900	0.4
387.20093	0.3
417.22607	0.4
426.01190	0.3
447.08978	5.8
447.26059	18.4
447.32785	1.1
448.09647	1.1
448.26440	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	447.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	3.5
57.03328	3.5
58.00486	2.7
58.89394	0.4
59.01252	56.1
60.01573	0.6
61.63020	0.5
61.98697	1.2
69.03317	0.8
71.01254	52.1
71.54746	0.4
72.01595	1.0
72.99182	3.9
73.02821	13.3
75.00725	0.7
81.03352	0.4
83.01250	7.8
83.04887	0.6
85.02822	19.0
86.80376	0.4
87.00764	2.9
87.74496	0.4
89.02319	20.5
95.01261	4.4
95.09473	0.4
97.02811	0.9
99.00762	5.5
99.04379	0.7
101.02324	40.5
102.02652	1.3
107.01308	0.5
111.00692	0.5
113.02332	19.2
114.02680	0.6
119.03399	8.2
121.02871	0.6
125.02325	0.9
131.03403	1.3
135.12215	0.4
141.12766	2.1
143.03407	2.3
148.01524	0.6
149.04482	0.6
151.00250	2.1
155.14359	3.8
159.02943	2.5
159.04135	0.4
161.04466	11.1
167.14333	1.7
169.15912	2.3
171.13815	0.7
178.99753	1.1
179.05504	1.3
183.13910	0.5
185.15422	6.2
192.30617	0.5
205.03404	0.6
205.19487	3.3
211.03879	0.4
223.20613	4.8
225.14903	0.5
227.03461	4.2
228.65974	0.5
241.21681	0.5
243.02937	1.2
255.02969	7.8
256.03430	1.4
267.19638	4.3
271.02460	6.5
272.02969	1.2
284.03238	2.7
285.04089	1.0
285.20724	3.6
286.21002	0.6
300.02731	9.0
301.03522	7.1
302.04013	0.7
338.60641	0.5
387.20148	0.9
403.27234	0.9
439.34695	0.5
447.09409	9.0
447.25995	100.0
448.09512	1.6
448.26346	17.2
474.20236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	8.9
61.98705	100.0
71.01256	3.9
71.54817	0.4
72.99191	0.4
73.02800	0.7
75.04602	0.3
76.60446	0.4
83.01287	0.7
85.02846	1.2
87.00739	0.5
89.02319	2.6
93.03354	1.3
96.81418	0.4
101.02318	1.9
101.05975	1.4
107.01272	0.4
111.00774	0.4
111.69257	0.3
113.02351	1.2
115.07632	0.4
117.03353	0.8
119.03403	1.4
119.04920	0.8
120.54448	0.3
123.04419	5.8
124.01591	1.1
125.02371	0.6
137.02367	0.7
139.03949	1.3
145.02855	2.9
146.03276	1.4
151.00339	1.0
151.03925	0.7
151.94586	0.3
152.00592	0.5
153.05492	7.8
161.04541	1.3
163.03993	0.4
167.03427	0.5
173.04532	0.6
178.99701	0.4
179.05544	0.5
191.05614	1.1
205.05074	0.4
227.03401	0.8
228.03909	0.8
231.10258	0.4
244.03151	0.3
255.02959	1.3
256.03278	2.5
265.07236	0.5
271.02466	1.6
272.02838	3.2
273.03482	0.5
275.09369	0.5
284.03329	0.5
285.03793	1.1
286.04279	0.6
300.02682	2.0
301.03253	6.4
302.03876	5.3
303.04163	0.6
307.08301	0.7
308.08633	0.9
359.20816	0.7
389.21844	1.4
391.59976	0.4
412.24091	0.3
448.09464	6.7
449.09778	1.2
449.14996	0.7
449.23950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86027	0.3
53.58807	0.3
55.01765	0.4
59.01253	9.3
60.01583	0.4
61.98705	100.0
69.28316	3.0
71.01257	4.4
72.99180	0.9
73.02821	1.2
75.00749	2.8
83.01274	0.9
85.02828	2.8
87.00769	0.8
89.02334	1.5
93.03352	3.4
95.63621	0.4
98.20614	0.7
99.00783	0.7
99.13020	0.4
101.02332	2.9
101.06004	0.4
109.02872	0.7
113.02335	1.4
117.03407	0.6
119.03411	0.5
120.83270	0.4
123.04397	0.5
125.02400	0.8
127.03873	0.4
134.03625	0.4
136.99072	0.4
137.02356	1.5
145.02899	1.6
150.67625	0.4
151.00305	0.7
152.00700	0.6
161.04498	1.2
165.01881	0.7
167.03462	0.6
169.40701	0.4
173.04523	1.8
175.03938	0.5
177.01906	0.7
191.05537	11.8
203.03516	0.4
227.03537	0.8
228.03877	0.9
229.08757	0.8
231.10172	0.4
255.02942	1.4
256.03458	2.1
257.08246	1.4
271.02576	0.9
272.02881	2.2
275.09259	0.5
281.04559	0.5
284.03345	0.4
285.03976	2.6
286.04376	3.4
287.22272	0.9
298.04318	0.4
300.02814	1.6
301.03180	5.2
302.03839	3.3
321.04071	0.4
367.11591	0.4
389.21979	0.6
407.07724	1.4
448.09808	5.2
449.09201	2.8
449.14240	0.8
449.27985	0.9
455.72754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.3
57.64204	0.3
59.01252	50.2
60.01583	1.1
61.01684	0.8
61.39960	0.3
61.98703	100.0
69.78230	1.6
71.01259	3.8
72.99195	0.4
73.02827	0.6
75.00737	0.6
78.07161	0.3
83.01248	0.3
85.02820	1.1
85.63932	0.3
86.30152	0.3
87.00750	0.7
89.02317	3.1
91.02744	0.3
93.03359	0.5
95.01244	0.3
97.02842	0.4
98.02356	0.3
98.20537	0.4
101.02317	2.2
102.02666	0.3
109.02775	0.5
113.02300	1.0
119.03354	0.8
120.03598	0.3
121.02830	0.3
123.04320	0.5
125.02363	1.6
131.03387	0.4
137.02330	0.7
143.03354	0.3
149.02313	0.9
150.03035	0.3
151.03835	0.5
151.04912	0.3
161.02315	0.7
161.04425	1.7
165.05414	0.4
175.73087	0.4
177.01743	0.4
179.03247	0.4
179.05411	0.4
181.06075	0.4
227.16464	0.4
233.74593	0.3
259.05881	0.8
269.04294	1.1
287.05536	0.6
385.10919	0.5
389.21872	1.5
401.15848	0.4
435.37308	0.3
435.63718	0.3
449.10223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03351	0.4
58.00480	0.4
59.01254	100.0
60.01588	8.0
61.01690	1.1
61.98707	41.0
64.83727	0.4
69.41721	2.8
71.01261	5.7
72.01611	0.6
72.99176	0.5
73.02827	0.8
75.05630	0.4
83.01266	0.8
85.02841	1.4
85.12006	0.4
89.02312	5.4
90.02686	0.7
90.62439	0.4
93.03368	0.4
95.01317	0.4
99.00780	0.4
101.02321	4.3
102.02615	0.6
107.01311	0.6
111.15503	0.4
113.02356	2.5
114.02657	0.5
119.03405	2.3
120.03773	0.5
124.20570	0.4
125.02333	3.0
135.04436	0.9
143.03407	0.8
151.00298	2.3
151.03983	0.5
152.01027	0.5
161.04434	2.6
162.04837	0.5
173.05971	0.5
179.05591	0.5
180.05946	0.6
189.12843	0.7
190.13084	1.0
259.06116	2.2
269.04407	1.9
287.05634	1.9
294.04718	0.4
329.06876	0.5
388.20596	1.7
389.21896	0.7
448.22794	0.7
449.10999	1.1
470.53735	0.5
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	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
50.81948	0.4
57.03323	6.2
59.01253	100.0
60.01579	1.5
61.01686	0.5
61.98705	4.0
62.94762	0.4
63.02262	0.7
63.33219	0.4
65.00199	2.2
66.17708	0.4
69.49304	1.8
69.49718	0.8
71.01254	7.1
73.02811	2.1
75.00730	0.6
81.03344	1.3
83.01260	4.9
85.02830	2.8
87.00775	0.7
89.02325	4.5
93.03333	2.1
95.01282	1.1
97.02834	1.3
98.20566	0.7
99.00764	0.4
101.02330	5.4
107.01283	2.7
107.04919	0.7
109.02830	1.1
113.02340	3.7
117.03326	0.9
119.03391	2.3
121.02838	3.5
121.04933	0.4
123.00872	0.5
123.04445	1.2
124.01549	0.7
125.02341	52.0
126.02673	1.7
133.02866	1.4
135.04384	1.1
137.02336	1.3
139.03929	1.3
143.03392	0.7
149.02362	6.3
150.03137	1.0
151.00273	14.8
151.03886	0.4
152.01097	2.3
153.01859	4.8
155.10701	1.0
157.06503	0.8
158.03719	0.5
159.02905	0.9
159.04413	0.8
161.02396	0.5
161.04469	6.6
163.00342	0.8
165.01845	8.2
165.05603	0.6
167.03403	0.9
169.06557	0.7
172.05231	0.5
173.05992	2.7
175.03960	0.5
176.01089	0.7
177.01877	1.0
177.05534	1.3
178.98219	0.5
178.99783	9.4
179.03400	3.7
179.05450	1.0
180.00151	0.6
182.03586	0.5
183.10216	2.1
195.06564	0.6
196.05226	0.5
197.06049	1.2
199.04007	0.6
199.07565	0.8
200.04669	0.4
201.05492	2.1
201.58282	0.4
213.05486	0.7
215.07095	2.3
219.06702	0.5
225.05531	1.8
227.16495	1.6
241.05006	1.8
243.06601	3.6
259.06113	55.3
260.06528	4.3
265.09250	0.4
268.03802	0.7
269.04562	50.8
270.04910	4.3
283.05948	0.6
283.10461	2.3
287.05630	38.1
288.05957	3.6
311.05475	1.6
341.05261	1.1
342.05829	1.6
389.21841	6.3
390.22369	0.4
421.11368	1.3
431.09857	1.7
449.10883	42.4
450.11182	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	449.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03366	1.8
58.00495	1.2
59.00967	1.6
59.01251	35.3
60.01630	0.9
61.98707	6.8
63.01992	0.7
63.02262	2.9
65.00194	3.3
68.99754	0.5
71.00893	0.6
71.01254	14.1
71.07584	1.0
72.99223	1.1
73.02818	2.6
81.03368	0.5
82.98206	0.5
83.01257	4.3
85.02820	5.8
87.00807	1.6
89.02312	8.1
93.03337	14.4
95.01254	2.3
96.99255	0.9
97.02911	0.6
99.00789	1.3
99.04426	1.3
99.40642	0.5
101.02325	11.1
107.01267	6.1
107.04989	0.6
108.02057	2.5
109.02845	3.6
111.00818	0.6
113.02332	5.8
117.03368	2.7
119.03374	3.3
119.04942	1.2
121.02908	1.5
122.03631	17.1
123.04420	10.6
123.05260	0.6
124.01633	1.8
125.02332	7.6
125.46591	0.5
127.04003	0.6
131.03513	0.6
133.02907	0.8
134.03661	1.1
135.04471	2.1
136.01634	1.4
137.02344	28.8
143.03441	1.2
147.04449	0.6
149.02399	1.8
149.04456	0.9
151.00278	16.9
151.03961	1.5
152.01064	8.7
153.01860	1.5
159.02875	0.6
159.04420	0.5
161.02504	0.9
161.04459	3.6
165.01913	1.6
167.03429	0.6
169.01384	2.2
169.06453	0.9
173.06068	0.7
177.05513	1.1
178.99782	5.7
179.03430	1.0
179.05640	0.5
181.06558	0.9
191.05597	3.0
197.06035	1.0
201.05571	1.2
225.05640	3.1
243.06589	4.9
259.06082	4.0
269.04553	100.0
270.04889	9.1
281.06677	19.6
282.06982	1.4
287.02258	0.7
287.05576	4.6
297.06339	0.9
316.02087	1.6
317.15930	0.6
327.04144	0.6
329.06854	0.7
389.17435	1.0
389.22192	3.0
405.11908	27.3
406.12366	3.1
431.09753	1.7
449.10660	32.2
449.20648	1.3
450.11111	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	449.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47787	0.7
57.03333	2.8
58.00478	0.8
59.01252	35.8
60.01595	0.7
61.98709	4.3
63.02267	7.3
65.00195	7.2
69.03335	0.9
69.82153	1.7
69.82547	1.6
71.01252	9.8
72.99195	0.7
73.02835	2.0
75.00775	0.7
82.74168	0.6
83.01248	6.4
85.02814	3.4
87.00775	1.0
87.04392	0.8
89.02312	9.1
93.03334	3.2
95.01289	1.5
98.20470	1.0
99.00777	1.2
101.02331	6.7
104.97463	0.7
107.01269	14.8
107.01946	1.1
111.00771	1.8
111.08051	0.6
113.02322	4.2
117.03369	2.7
119.03408	3.9
119.04962	1.4
121.02847	1.0
121.04996	0.8
123.00841	0.8
123.04387	1.0
124.01556	3.8
124.58557	0.8
125.02357	10.2
133.02814	1.0
134.03659	0.9
135.04430	4.2
137.02353	1.7
139.00301	1.0
139.11179	2.2
141.01878	1.5
143.03394	0.9
145.02901	2.5
149.02342	1.3
149.04518	1.0
151.00278	51.0
152.01065	27.2
152.02321	1.2
153.01390	1.2
156.52765	0.7
159.02960	0.8
161.04480	2.6
169.01329	8.1
169.06422	1.1
173.06021	1.1
177.05568	1.0
178.99792	29.4
179.05609	1.5
180.00130	1.9
181.06465	0.9
183.04547	0.7
183.10199	9.2
191.05527	3.9
193.01378	1.1
196.05133	0.7
197.06038	1.6
215.07123	1.2
220.62733	0.7
223.08058	0.8
225.05527	2.9
243.06635	1.6
243.62595	0.7
248.26874	0.7
259.06067	4.4
269.04559	100.0
270.04871	9.1
281.06613	1.4
283.10373	2.0
285.03690	0.7
286.04871	3.5
287.05597	3.7
307.08344	0.9
329.06564	0.8
389.22046	3.3
405.11777	1.0
411.16693	1.1
445.05847	0.7
449.10843	59.8
449.20767	1.7
449.27817	1.5
450.10916	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86933	0.2
55.01743	0.3
57.03316	0.9
58.00477	0.5
59.01252	32.5
59.65209	0.2
60.01579	0.7
61.98706	5.9
65.00190	0.7
67.01759	1.0
69.03287	0.3
70.18842	0.5
70.19178	0.5
71.01255	5.9
72.99191	0.9
73.02843	1.6
74.58557	0.3
81.03341	0.9
83.01257	1.2
83.04890	0.4
84.59291	0.3
85.02827	11.9
87.00759	2.8
89.02316	2.8
91.01774	0.7
93.03329	4.4
95.01254	1.2
96.95867	0.3
99.00732	0.5
99.04421	0.4
101.02322	4.1
101.05933	0.7
103.14421	0.3
107.01270	1.2
108.02081	1.5
109.02849	3.0
111.00748	0.6
111.04399	1.2
113.02341	1.9
117.03369	1.3
119.03403	1.0
119.04929	2.7
120.99537	0.4
121.02831	0.5
123.00789	1.5
123.04412	5.8
124.01572	0.6
124.04760	0.4
125.02347	2.0
127.03913	1.9
129.01830	0.3
133.02876	0.3
134.03633	0.4
135.04431	2.8
137.02341	1.2
137.05966	0.4
137.09712	0.3
139.00270	0.5
143.03419	0.5
145.02850	2.9
146.03192	1.3
150.03108	0.4
151.00282	5.8
151.03900	0.9
152.01064	1.9
153.01843	2.8
155.03435	0.4
155.10683	0.8
159.02980	0.3
159.04382	0.4
159.69879	0.3
161.02327	0.8
161.04474	1.1
163.03937	0.4
165.01866	0.6
166.02609	0.6
166.99702	0.7
167.03409	12.6
168.03731	0.6
171.02994	0.3
172.05174	1.3
173.04457	2.0
173.05827	0.4
177.01839	0.9
178.99815	0.5
179.05544	0.5
181.00050	0.3
181.01498	0.3
181.04980	0.8
183.04419	0.8
186.50145	0.3
187.07588	10.6
188.07872	1.1
189.01872	0.4
191.05540	100.0
192.05888	4.4
194.02107	0.5
195.02908	2.2
195.06572	0.5
199.03929	1.0
200.04756	0.8
201.05577	0.3
209.04507	3.4
211.03929	0.4
213.09189	1.3
215.07112	2.1
217.01273	0.4
217.05042	0.3
223.06128	0.4
225.07440	0.3
227.03519	2.3
228.04173	2.6
229.04228	0.5
229.08694	0.7
231.10207	1.0
239.05592	0.4
243.02940	0.8
245.03720	0.3
255.02780	2.0
255.05298	1.7
256.03351	1.4
257.03912	1.9
257.08163	12.7
258.08524	1.4
269.06787	0.6
271.02481	1.4
272.02847	1.3
273.02975	1.9
275.09274	1.1
281.04660	0.4
284.03152	0.4
285.03882	1.2
285.07605	0.3
286.03979	0.8
287.05621	5.9
288.05981	0.6
297.04224	0.5
299.02151	0.4
300.02744	1.9
301.03229	2.6
302.03421	4.9
303.04129	3.0
303.07251	0.5
304.04428	0.3
309.08771	0.4
317.02975	0.3
339.05032	0.6
354.71133	0.3
356.26907	0.3
359.20743	6.3
360.21027	0.5
374.44901	0.3
389.21692	1.0
407.07632	2.6
408.08057	0.4
431.07629	0.4
449.09344	7.2
449.14575	17.9
449.24304	0.8
449.31546	3.3
450.09619	1.0
450.14914	2.6
450.31674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86933	0.2
55.01743	0.3
57.03316	0.9
58.00477	0.5
59.01252	32.5
59.65209	0.2
60.01579	0.7
61.98706	5.9
65.00190	0.7
67.01759	1.0
69.03287	0.3
70.18842	0.5
70.19178	0.5
71.01255	5.9
72.99191	0.9
73.02843	1.6
74.58557	0.3
81.03341	0.9
83.01257	1.2
83.04890	0.4
84.59291	0.3
85.02827	11.9
87.00759	2.8
89.02316	2.8
91.01774	0.7
93.03329	4.4
95.01254	1.2
96.95867	0.3
99.00732	0.5
99.04421	0.4
101.02322	4.1
101.05933	0.7
103.14421	0.3
107.01270	1.2
108.02081	1.5
109.02849	3.0
111.00748	0.6
111.04399	1.2
113.02341	1.9
117.03369	1.3
119.03403	1.0
119.04929	2.7
120.99537	0.4
121.02831	0.5
123.00789	1.5
123.04412	5.8
124.01572	0.6
124.04760	0.4
125.02347	2.0
127.03913	1.9
129.01830	0.3
133.02876	0.3
134.03633	0.4
135.04431	2.8
137.02341	1.2
137.05966	0.4
137.09712	0.3
139.00270	0.5
143.03419	0.5
145.02850	2.9
146.03192	1.3
150.03108	0.4
151.00282	5.8
151.03900	0.9
152.01064	1.9
153.01843	2.8
155.03435	0.4
155.10683	0.8
159.02980	0.3
159.04382	0.4
159.69879	0.3
161.02327	0.8
161.04474	1.1
163.03937	0.4
165.01866	0.6
166.02609	0.6
166.99702	0.7
167.03409	12.6
168.03731	0.6
171.02994	0.3
172.05174	1.3
173.04457	2.0
173.05827	0.4
177.01839	0.9
178.99815	0.5
179.05544	0.5
181.00050	0.3
181.01498	0.3
181.04980	0.8
183.04419	0.8
186.50145	0.3
187.07588	10.6
188.07872	1.1
189.01872	0.4
191.05540	100.0
192.05888	4.4
194.02107	0.5
195.02908	2.2
195.06572	0.5
199.03929	1.0
200.04756	0.8
201.05577	0.3
209.04507	3.4
211.03929	0.4
213.09189	1.3
215.07112	2.1
217.01273	0.4
217.05042	0.3
223.06128	0.4
225.07440	0.3
227.03519	2.3
228.04173	2.6
229.04228	0.5
229.08694	0.7
231.10207	1.0
239.05592	0.4
243.02940	0.8
245.03720	0.3
255.02780	2.0
255.05298	1.7
256.03351	1.4
257.03912	1.9
257.08163	12.7
258.08524	1.4
269.06787	0.6
271.02481	1.4
272.02847	1.3
273.02975	1.9
275.09274	1.1
281.04660	0.4
284.03152	0.4
285.03882	1.2
285.07605	0.3
286.03979	0.8
287.05621	5.9
288.05981	0.6
297.04224	0.5
299.02151	0.4
300.02744	1.9
301.03229	2.6
302.03421	4.9
303.04129	3.0
303.07251	0.5
304.04428	0.3
309.08771	0.4
317.02975	0.3
339.05032	0.6
354.71133	0.3
356.26907	0.3
359.20743	6.3
360.21027	0.5
374.44901	0.3
389.21692	1.0
407.07632	2.6
408.08057	0.4
431.07629	0.4
449.09344	7.2
449.14575	17.9
449.24304	0.8
449.31546	3.3
450.09619	1.0
450.14914	2.6
450.31674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1501
Annotation	Suvorexant
Peak:m/z	Relative Intensity
52.94781	0.3
59.01258	6.6
61.95407	0.4
62.96284	25.5
71.01252	1.1
71.21169	0.6
78.95780	62.4
80.97347	35.4
89.02319	1.3
96.95894	1.0
101.02351	0.8
109.13905	0.4
119.03395	0.4
120.66020	0.4
149.00008	16.3
179.01009	2.1
181.02658	0.6
205.15923	9.1
205.19481	0.9
206.16333	0.5
206.19968	0.7
242.98293	4.8
243.98483	0.5
269.21237	0.6
285.12665	1.8
330.91486	0.4
355.16797	19.5
356.17133	2.4
367.39612	0.4
385.17859	22.7
386.18192	2.8
449.15005	100.0
450.15369	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	449.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.0
56.26734	0.6
57.03323	2.8
59.01254	100.0
60.01585	2.0
61.98690	3.3
67.01774	2.9
68.99691	1.5
69.03342	1.4
69.48840	4.7
71.01255	28.4
72.99196	1.6
73.02819	8.7
75.00760	1.2
78.38184	0.7
81.03339	4.4
83.01257	5.8
83.04900	1.2
85.02827	19.9
87.00756	3.6
88.90842	0.8
89.02312	8.1
91.01831	1.6
93.03325	5.5
95.01261	5.9
96.99187	0.8
97.02828	1.1
99.00760	4.8
99.04399	1.0
101.02325	19.7
101.06004	0.8
102.02634	1.3
106.04144	2.7
107.01259	6.4
107.04941	1.7
108.02081	8.2
109.02838	5.0
110.00001	2.3
111.00749	3.9
113.02331	11.2
113.03048	0.8
117.03316	1.5
119.03436	2.8
119.04933	6.1
121.02884	0.8
123.00763	8.7
123.04417	12.3
124.01572	2.3
125.02348	16.2
125.40474	0.6
125.94887	0.7
127.03918	2.3
128.61227	0.7
133.02855	3.6
134.03622	1.0
135.04446	4.3
136.98700	1.1
137.02388	3.2
137.05986	89.6
138.06335	4.7
139.00287	2.4
143.03484	1.8
145.02892	1.0
145.78946	0.6
147.04422	0.7
149.02390	1.3
149.04488	0.7
150.03198	0.7
151.00285	16.7
151.04008	1.1
152.01059	14.5
152.04752	0.9
153.01874	5.0
153.05507	1.2
154.38123	0.6
154.41736	0.6
159.02953	1.9
159.04353	1.0
160.01584	1.3
161.02400	7.9
161.04463	18.2
161.05867	1.2
162.03078	0.7
163.00351	1.8
164.01044	0.9
165.01772	1.3
165.99037	2.5
166.02682	2.2
166.99782	0.9
167.03419	33.3
168.03772	1.0
171.04382	0.9
172.05162	1.1
173.04549	2.1
174.03110	1.1
175.03827	1.1
178.99835	3.0
179.03468	2.1
179.05539	1.3
183.04503	0.9
187.03966	2.2
187.07603	5.8
191.05544	76.1
192.05922	3.1
195.02867	1.2
199.03973	2.7
203.03577	1.1
211.03972	1.8
212.04254	0.8
213.09232	1.4
214.02783	0.8
216.04137	0.9
227.03448	33.8
227.16501	1.3
228.03807	25.2
229.03987	26.7
229.08760	1.2
230.04272	1.9
231.03056	1.5
231.05492	1.0
231.10161	1.1
242.02180	1.9
243.03064	3.8
251.05684	0.9
255.00230	1.1
255.02985	32.7
256.03348	28.4
257.03540	42.2
257.07800	6.2
258.03989	5.3
259.02454	2.5
270.01706	2.4
271.02451	11.0
271.05081	1.2
272.03140	2.2
273.03964	1.1
281.06564	0.9
284.03268	17.7
285.03693	21.8
286.03888	37.6
287.01892	4.3
287.04651	11.7
287.15146	1.3
288.02658	2.2
296.05298	3.5
297.06424	1.2
299.02023	6.5
311.07721	47.8
312.08093	4.2
316.02222	20.3
317.02905	7.6
323.07742	2.3
340.29086	0.8
389.21820	16.7
389.89651	0.8
390.22568	2.3
413.13956	1.0
434.12238	1.4
449.09824	71.6
449.14914	31.1
449.23407	3.6
450.09863	7.1
450.15823	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	449.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.5
59.01252	100.0
60.01605	1.2
61.86457	0.4
61.98700	1.2
68.51187	0.5
71.01254	5.1
71.01611	0.5
72.99205	0.6
73.02829	0.7
85.02837	1.0
86.52422	0.5
87.00781	1.0
89.02317	8.3
101.02323	4.9
113.02317	2.8
119.03384	3.6
125.02333	0.6
137.28101	0.5
142.32060	0.4
143.03413	1.0
161.02443	0.5
161.04477	2.1
167.13533	0.5
175.03990	0.8
177.01874	0.7
179.05569	1.6
230.57193	0.6
287.05521	0.8
389.21875	3.9
390.22198	0.7
395.26642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90416	0.2
53.50486	0.2
59.01252	100.0
60.01324	0.2
60.01591	1.3
61.98708	1.3
64.36573	0.2
65.87362	0.2
71.01257	3.7
71.11617	0.5
71.11976	0.2
72.99160	0.2
73.02837	1.2
76.16439	0.2
83.01266	0.5
85.02831	1.4
89.02328	0.7
95.01295	0.2
99.00781	0.6
101.02321	2.7
113.02352	1.6
125.02358	0.8
143.03377	0.3
149.02419	0.3
159.02940	0.5
161.04477	4.4
165.05524	0.3
175.51543	0.2
186.13028	0.2
259.06192	0.6
269.04675	0.7
287.05652	0.3
389.21765	3.6
390.22174	0.4
449.11081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.4
59.01252	100.0
60.01587	1.3
61.98704	6.0
70.87174	0.6
71.01254	3.4
73.02831	1.0
83.01265	1.0
85.02821	1.9
89.02325	0.8
93.03316	0.4
99.00727	0.5
101.02316	3.2
107.01293	0.5
107.04830	0.3
110.21514	0.3
113.02313	1.8
125.02346	9.9
125.03237	0.6
135.04469	0.5
149.02409	1.1
151.00290	2.2
153.01883	1.0
159.02948	0.5
161.04451	4.7
161.05647	0.4
165.01881	0.5
165.05495	0.4
173.06017	0.4
177.05380	0.4
178.99811	1.6
179.03423	0.5
225.05527	0.4
227.16481	0.3
243.06693	0.5
259.06094	9.5
260.06470	1.0
262.83170	0.4
269.04553	9.5
269.07245	0.6
270.05029	1.4
287.05603	7.7
288.06158	1.1
311.05826	0.7
389.21780	3.9
390.22202	0.8
449.10886	8.3
449.17017	0.6
450.11487	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01512	0.7
55.01761	7.3
56.02053	0.4
57.03323	5.7
58.00470	3.7
59.01252	78.4
60.01584	1.3
60.99184	0.6
61.98701	1.2
67.01758	1.4
68.99686	0.5
69.03333	2.1
71.01254	97.3
72.01591	1.7
72.99183	6.3
73.02819	30.0
74.03164	0.5
75.00739	1.3
81.03327	1.6
83.01259	20.2
84.01600	0.5
85.02825	42.3
85.99970	2.8
86.03156	1.0
87.00758	5.7
89.02319	43.5
90.02646	0.5
93.03333	5.9
95.01274	4.9
97.02841	3.6
99.00757	12.6
100.01060	0.5
101.02322	89.5
102.02668	2.1
108.02075	0.6
109.02823	1.1
111.00764	8.8
111.04413	0.5
113.02332	30.0
114.02643	1.1
115.03884	2.4
115.59568	0.5
119.03390	2.3
121.02862	0.9
124.01527	1.4
125.02351	6.4
129.01852	2.4
131.03397	37.3
132.03694	0.7
133.02856	0.9
134.03665	2.5
135.04417	20.0
136.04810	0.6
137.02359	1.9
139.03889	0.4
143.03406	5.3
149.04465	10.8
150.03130	1.0
151.03909	3.3
155.03291	0.6
159.02913	4.7
161.04468	28.0
162.04805	1.2
162.87836	0.4
173.04491	7.3
178.02585	0.7
179.03435	4.5
179.05608	0.4
180.04140	0.8
187.06136	0.6
191.05547	3.6
192.98222	0.4
205.03432	1.5
215.05511	1.5
233.06609	5.6
257.08099	0.5
287.22220	1.4
299.18753	0.8
304.65649	0.5
307.08170	1.3
308.08972	4.6
309.09131	0.6
317.19681	100.0
318.16406	0.7
318.20010	11.5
352.07813	2.9
361.18530	1.6
449.14029	3.0
449.23782	53.2
450.15036	0.6
450.24152	8.7
450.30072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2394
Annotation	Vanoxerine
Peak:m/z	Relative Intensity
55.01759	5.3
56.89619	0.4
57.03324	4.4
58.00472	1.7
59.01250	39.4
60.01595	0.5
61.98700	1.2
66.56778	0.4
67.01771	0.6
68.99673	0.3
69.03317	1.8
71.01254	58.2
72.01585	0.8
72.99185	3.3
73.02818	28.4
74.03173	0.6
75.00764	1.6
81.03359	1.0
82.48827	0.3
83.01258	14.8
84.01591	0.4
85.02824	31.6
85.28578	0.3
85.99969	1.9
86.03159	0.9
87.00754	5.0
89.02319	13.1
90.02673	0.3
93.03344	3.4
95.01272	4.2
97.02839	2.7
99.00762	13.0
99.04410	0.4
100.01125	0.4
101.02323	64.7
102.02637	1.8
103.03860	0.4
108.02048	0.4
109.02841	0.4
111.00774	2.9
111.04424	0.5
113.02333	22.7
114.02664	0.6
115.03903	1.6
117.72255	0.4
119.03372	1.3
124.01537	0.9
125.02361	3.8
129.01849	1.8
131.03410	3.6
133.02866	0.6
134.03618	1.5
135.04425	8.0
137.02295	0.3
141.01845	0.5
143.03409	3.4
149.04486	2.1
151.03941	1.5
159.02898	5.1
161.04466	24.3
162.04814	0.9
163.03983	0.5
173.04480	1.3
179.03438	1.7
189.02248	0.3
191.05548	3.0
199.13319	0.3
205.03531	1.4
215.05449	0.5
225.14882	0.7
233.06633	2.7
265.75180	0.3
293.08838	0.8
308.08902	2.1
317.19678	100.0
318.20041	11.9
352.07904	1.2
361.18399	1.5
362.19507	0.3
449.23880	56.7
450.24191	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	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56331	0.6
53.91519	0.7
59.01252	100.0
60.01594	3.2
61.01681	2.1
61.98704	22.4
65.00195	0.6
70.40881	1.6
71.01256	5.5
71.40524	0.6
73.02841	1.5
75.25095	0.6
79.05024	0.6
82.58927	0.5
83.01249	1.1
84.83416	0.5
85.02827	1.8
89.02338	2.4
95.01324	0.6
99.00780	1.0
101.02322	3.6
104.59319	0.6
107.01250	1.0
113.02339	2.1
119.03410	1.8
123.04417	1.2
125.02346	6.1
129.05621	0.6
135.04428	3.2
150.03172	1.0
151.00288	3.3
152.57605	0.6
153.05505	2.0
159.02956	1.0
161.04477	3.7
165.05420	0.8
178.99733	1.2
195.06544	0.7
197.48019	0.6
227.18929	0.8
242.72462	0.7
259.06119	5.2
269.04520	4.2
283.43265	0.6
287.05563	6.4
287.08035	0.5
329.06662	1.9
389.21655	3.2
449.10910	5.5
469.31879	0.6
471.63162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52739	0.6
53.52227	0.5
59.01260	3.1
78.95772	4.1
80.80989	0.5
89.93943	0.5
96.95875	1.0
97.56101	0.6
102.98401	0.6
110.98395	3.8
158.65529	0.5
161.51076	0.5
163.17839	0.5
167.01054	2.2
168.50400	0.6
185.02074	3.2
186.17879	0.6
281.24850	100.0
282.25214	13.0
332.07437	0.6
405.33908	1.4
449.26685	5.9
449.32422	1.2
450.27002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2757
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01760	1.9
57.03316	1.1
58.00467	1.6
59.01253	46.0
60.01581	0.8
61.98695	2.3
71.01255	21.8
72.99184	2.1
73.02819	3.9
73.21468	0.7
78.95773	1.2
83.01263	3.0
84.50533	0.7
85.02831	6.9
87.00745	0.9
89.02316	13.0
89.75613	0.7
90.53390	0.8
93.03349	0.7
94.00046	0.7
94.01182	0.7
95.01237	1.7
96.95878	1.9
99.00735	1.4
101.01698	1.2
101.02325	18.9
102.02640	0.9
103.02704	0.8
113.02338	8.3
114.02605	1.0
116.17596	0.8
119.03400	5.3
139.07518	3.2
141.31122	0.8
155.14320	2.1
155.15500	0.7
161.04471	1.9
179.05540	0.9
251.20201	2.6
269.21292	8.6
270.21417	1.2
285.20917	0.9
287.22272	5.0
389.21844	0.9
431.26492	14.3
432.26892	3.3
449.27515	100.0
450.27911	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	450.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.4
57.54854	1.6
59.01255	100.0
60.01583	6.3
61.01668	4.9
61.98706	94.6
67.29678	1.6
71.01263	13.5
71.54240	2.0
71.54651	2.2
72.99168	1.9
73.02796	2.8
83.01258	2.2
85.02808	4.2
89.02301	10.6
95.64503	1.6
101.02304	8.3
107.04843	1.7
108.02061	7.3
108.04424	5.1
109.02852	18.8
110.01103	1.8
113.02327	6.9
116.74638	1.6
119.03346	3.7
121.02782	1.7
123.00729	4.0
123.04366	8.2
125.02316	9.7
137.02368	2.8
139.00258	2.3
139.03879	1.7
152.01079	9.3
152.03421	5.6
153.01865	16.9
153.05470	7.2
157.74747	1.5
161.04422	4.9
167.03424	3.0
169.01331	2.3
191.05537	2.9
199.72060	1.6
288.05966	2.4
289.07135	6.3
296.07883	3.8
297.06137	8.0
303.67847	1.5
315.07129	2.6
349.18701	4.3
390.21741	4.8
391.19769	3.8
391.24194	1.6
407.09610	1.7
450.14529	2.1
451.08234	25.8
451.28891	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	450.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.4
57.54854	1.6
59.01255	100.0
60.01583	6.3
61.01668	4.9
61.98706	94.6
67.29678	1.6
71.01263	13.5
71.54240	2.0
71.54651	2.2
72.99168	1.9
73.02796	2.8
83.01258	2.2
85.02808	4.2
89.02301	10.6
95.64503	1.6
101.02304	8.3
107.04843	1.7
108.02061	7.3
108.04424	5.1
109.02852	18.8
110.01103	1.8
113.02327	6.9
116.74638	1.6
119.03346	3.7
121.02782	1.7
123.00729	4.0
123.04366	8.2
125.02316	9.7
137.02368	2.8
139.00258	2.3
139.03879	1.7
152.01079	9.3
152.03421	5.6
153.01865	16.9
153.05470	7.2
157.74747	1.5
161.04422	4.9
167.03424	3.0
169.01331	2.3
191.05537	2.9
199.72060	1.6
288.05966	2.4
289.07135	6.3
296.07883	3.8
297.06137	8.0
303.67847	1.5
315.07129	2.6
349.18701	4.3
390.21741	4.8
391.19769	3.8
391.24194	1.6
407.09610	1.7
450.14529	2.1
451.08234	25.8
451.28891	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60318	1.1
57.03315	2.8
57.10965	1.0
59.01252	25.3
61.98705	9.7
69.03339	2.1
69.49437	7.5
71.01262	17.0
72.01592	1.2
72.99159	2.2
73.02824	3.9
81.03340	2.2
83.01251	5.5
85.02824	8.4
87.00756	1.6
89.02326	7.5
93.03336	40.6
94.03695	2.2
95.01270	2.1
95.04891	1.7
96.95901	3.1
97.02826	6.9
98.19804	2.6
99.00801	2.0
100.29475	1.1
101.02303	10.4
101.05995	1.6
107.04942	1.3
108.02016	2.3
109.02837	23.4
111.00780	1.8
113.02332	4.8
115.18582	1.3
117.03355	3.8
117.52731	1.3
119.03433	3.2
119.04916	3.0
121.02853	4.7
122.03608	1.9
123.00779	7.7
123.04424	21.4
124.01558	19.4
125.02348	46.6
134.03633	8.4
135.04405	4.1
136.01581	2.1
137.02344	80.4
138.02704	2.6
139.03914	6.5
145.02853	16.9
146.03624	1.7
147.04411	3.3
147.14503	1.4
149.02361	9.1
149.05986	5.8
149.99500	34.2
151.00162	2.4
151.03935	12.1
153.05484	1.2
154.02547	1.2
156.74194	1.1
158.02089	1.7
159.02930	1.2
159.04414	4.2
161.02379	7.6
161.04533	2.8
161.06023	5.3
162.03094	2.2
163.00340	1.6
163.03914	6.9
164.01031	2.8
165.01857	7.6
167.03384	2.2
168.00558	67.5
169.01266	6.5
175.03966	2.7
175.07524	1.1
177.01830	4.0
177.05449	1.2
179.03340	3.4
185.06078	1.5
187.03906	3.3
188.04675	2.7
189.01895	3.7
191.03397	4.0
203.07129	8.8
205.05035	6.7
213.05580	1.7
215.07091	10.2
217.01161	1.2
219.02901	1.7
221.08138	2.6
227.03387	6.9
227.07188	1.7
228.10323	3.0
229.10536	2.1
245.08121	8.1
257.08212	3.8
271.09763	1.2
289.07172	39.2
289.20135	1.5
290.07428	3.7
301.07190	20.0
302.07373	1.7
313.05630	18.9
315.08688	7.4
331.06702	39.3
332.07083	3.3
341.06540	5.2
407.15088	1.7
450.23062	1.7
451.08777	100.0
451.14038	18.9
451.19659	17.9
451.24997	3.9
451.29507	3.2
452.08914	14.2
452.14392	3.6
452.19791	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	4.8
68.99677	1.4
71.01253	2.7
71.52841	1.7
72.99176	4.6
75.00751	10.4
83.01269	3.6
85.02821	1.8
96.95896	2.9
99.00775	2.6
100.98623	1.4
103.00248	5.0
111.00763	2.7
112.98698	16.5
117.01804	2.6
125.02338	2.9
129.01802	1.6
143.01454	2.3
143.03288	1.7
145.01338	8.9
203.07198	1.4
231.03114	21.0
232.03499	1.5
245.08362	2.2
263.05777	6.8
289.07187	6.1
303.01620	5.1
335.04459	1.7
359.04343	4.0
391.06879	2.2
419.06335	2.3
451.09027	100.0
452.09552	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	451.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46310	0.3
56.05621	0.3
57.88900	0.4
59.01255	4.7
61.98708	3.0
65.03867	0.4
69.27296	3.5
71.01262	2.4
72.74039	0.4
73.02827	0.6
77.77300	0.4
82.01554	0.3
82.88174	0.4
83.01280	0.4
85.02827	1.0
89.02325	1.0
89.03873	0.4
91.01804	0.8
93.03323	0.9
95.04921	1.1
96.52055	0.4
98.19804	0.6
101.02332	1.5
108.02059	1.0
109.02838	24.2
110.03168	0.7
113.02364	1.6
115.05402	0.4
117.03355	1.1
119.04914	2.2
121.02847	1.0
123.04411	12.2
125.02344	0.7
133.02861	3.3
135.00842	0.3
135.04436	0.7
137.02347	1.8
139.03899	0.4
139.26762	0.3
141.13745	0.3
145.02917	2.1
147.04439	3.5
149.02364	0.8
150.03157	0.9
151.03905	6.2
153.05544	0.5
159.04456	1.1
161.02370	6.6
161.04462	0.8
162.03070	0.5
163.02623	0.4
163.03903	1.4
175.03903	0.6
177.01862	23.9
177.61800	0.4
178.02234	1.8
187.03937	1.2
189.01863	56.4
190.02591	10.9
191.03426	11.1
192.03740	0.9
202.02649	1.5
203.03439	5.8
204.03813	0.7
205.04944	0.5
216.00581	7.9
217.01363	32.3
218.01913	4.0
219.02927	11.5
231.02994	8.6
232.03526	1.2
233.04512	0.9
245.08299	0.6
281.04523	0.6
287.05380	0.5
289.07104	1.9
289.11926	0.9
297.07727	0.7
299.05624	1.5
305.04355	0.4
323.05569	1.3
333.11072	0.7
341.06656	100.0
342.06976	11.3
368.46741	0.4
391.23273	1.1
446.34311	0.4
451.10330	22.1
451.25674	1.1
452.10718	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	451.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27651	0.4
57.64967	0.4
59.01262	0.8
59.28200	0.4
67.01810	0.5
71.31029	0.8
71.31355	0.4
91.01767	0.5
104.23416	0.4
108.02077	0.6
109.02841	18.8
110.03186	0.7
111.31416	0.4
117.03353	0.5
119.04965	0.7
121.02848	0.5
123.04427	8.7
124.01576	0.9
133.02835	3.9
134.03668	0.5
137.02409	0.9
139.03940	2.7
145.02863	0.9
147.04442	2.4
149.02338	0.6
150.03183	0.7
151.03906	3.8
153.75020	0.4
159.04488	0.9
161.02386	5.2
162.03151	1.2
163.03961	1.3
167.03459	1.0
177.01857	18.1
178.02229	1.4
187.03973	1.6
188.04683	0.5
189.01863	35.7
190.02599	8.0
191.03413	6.5
192.03783	0.5
203.03452	3.3
216.00604	5.5
217.01375	22.1
218.01974	2.9
219.02914	8.7
220.03296	0.7
222.01680	0.9
227.07207	0.5
228.42017	0.4
229.08731	0.9
231.02974	6.9
232.03555	1.2
233.04520	1.2
245.08310	0.5
281.04443	2.5
287.05783	1.1
289.07202	1.2
297.07669	1.7
299.05545	5.8
305.04495	0.5
311.07645	1.6
323.05499	1.1
341.06650	100.0
342.06970	12.0
426.79117	0.4
451.10330	18.7
452.10654	3.0
466.08176	0.5
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
59.01257	6.1
61.98429	0.6
61.98701	4.4
62.96568	0.5
65.00191	0.6
67.01746	0.9
68.99696	0.7
69.03330	0.5
69.23812	3.8
69.24236	1.9
71.01252	5.4
73.02813	1.5
75.51920	0.5
81.03330	2.3
83.01285	1.4
83.04879	3.6
85.02832	2.5
85.76788	0.5
87.00768	1.2
87.50388	0.5
89.02301	1.4
89.03867	0.7
89.69334	0.6
91.01775	0.9
93.03325	1.1
95.01283	3.3
95.04893	1.0
97.02796	0.7
98.20515	1.1
99.00782	0.9
101.02328	3.8
102.17838	0.5
103.05473	0.5
107.01276	1.4
108.02074	4.3
109.02834	21.8
111.00769	2.0
113.02365	2.9
114.34959	0.6
116.02649	0.6
117.03346	0.6
119.04940	1.6
121.02856	1.3
122.03648	0.9
123.00771	46.1
123.04411	15.3
124.01575	18.8
125.02324	2.1
131.03287	0.8
133.02852	3.2
135.00816	0.8
136.01517	0.7
137.02325	2.0
138.03130	15.4
139.00275	1.9
139.03935	12.4
145.02853	0.8
147.04408	3.0
149.02304	0.9
150.03134	1.0
151.00281	2.8
151.03912	5.8
152.01068	6.5
153.01834	8.9
153.96384	0.6
154.02574	0.6
159.04387	0.9
161.02359	5.6
161.04445	0.7
162.03114	1.1
163.03897	1.3
166.02625	1.6
167.03409	17.9
168.03818	1.2
175.03825	0.9
176.01118	0.7
177.01859	18.8
178.02231	1.3
181.05016	1.2
187.03912	1.2
189.01860	43.8
190.02608	8.6
191.03397	8.8
193.04993	0.7
203.03450	5.8
206.54430	0.6
216.00604	6.7
217.01375	29.0
218.01944	2.6
219.02916	8.9
224.17619	1.0
225.16069	1.6
229.08907	0.6
231.02956	8.6
232.03569	1.1
233.04462	0.9
281.06693	2.2
288.02664	0.8
289.03378	0.6
289.07104	1.7
292.83606	0.6
296.05383	1.0
297.06088	7.1
311.07715	28.2
312.08020	2.5
314.99985	0.7
319.17706	0.6
323.05524	1.1
341.06659	100.0
342.03238	0.5
342.06985	12.9
433.31735	1.0
451.12305	55.1
451.22296	2.1
451.32889	21.1
451.38055	0.4
452.12750	8.2
452.33344	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55267	0.2
55.86846	0.2
59.01253	1.4
61.98707	0.5
61.99652	0.2
65.00195	0.2
69.53059	1.3
71.01251	0.8
74.63313	0.2
77.94080	0.2
81.03324	0.4
83.01268	0.3
85.02839	0.3
89.02299	0.3
89.03857	0.4
91.01763	0.3
93.03313	0.4
95.04927	1.5
101.02316	0.4
103.05423	0.5
105.03341	0.4
108.02061	0.8
109.02839	24.6
110.03172	0.7
115.05372	0.2
117.03333	1.1
119.04931	1.2
121.02845	1.0
122.03616	0.6
123.04416	13.9
124.04737	0.6
125.02359	0.5
133.02863	3.5
135.00775	0.6
135.04443	0.6
137.02345	0.5
139.03940	0.3
145.02844	1.8
146.03531	0.4
147.04433	4.2
148.01578	0.2
149.02299	0.7
150.03142	1.0
151.03925	6.2
159.04457	1.6
161.02362	6.3
161.06085	0.2
162.03032	0.9
163.00342	0.2
163.03992	0.5
175.03917	0.5
176.01103	1.1
177.01860	22.8
177.99080	0.2
178.02222	1.1
187.03941	1.6
188.04640	0.3
189.01869	53.7
190.02599	12.0
191.03430	11.4
192.03737	0.7
201.01915	0.5
203.03442	5.8
204.03770	0.6
205.04979	0.3
213.01881	0.3
214.02632	0.3
216.00612	7.9
217.01370	33.8
218.01875	3.6
219.02942	12.7
220.03287	0.9
231.02954	10.5
232.03401	1.0
233.04501	1.2
245.08096	0.3
281.04556	0.9
289.07288	2.1
290.62994	0.3
297.07700	0.5
299.05469	0.3
305.04739	0.4
323.05545	1.9
327.04846	0.2
341.06653	100.0
342.06985	11.7
375.68063	0.2
404.88104	0.2
451.10349	19.9
452.10651	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	451.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88781	0.5
54.05381	0.5
54.52113	0.6
58.75355	0.5
59.01252	5.6
61.98709	3.2
64.68248	0.6
67.01767	1.5
68.99710	0.9
69.22532	6.0
71.01261	6.2
73.02805	1.3
81.03310	2.0
83.01253	2.1
83.04875	1.8
85.02827	2.9
87.00751	1.7
87.27903	0.5
89.02306	1.7
91.01754	1.6
93.03324	1.5
95.01262	6.3
95.04872	1.7
95.79358	0.6
96.99200	0.7
101.02344	3.6
103.05457	0.8
107.01265	1.8
108.02061	5.5
109.02841	28.9
110.03164	1.0
110.31293	0.7
111.00748	2.6
113.02306	2.6
119.04927	1.4
121.02827	2.2
123.00774	59.9
123.03525	1.2
123.04405	19.4
124.01573	25.8
124.04749	0.7
125.02390	2.8
131.03270	0.6
133.02873	3.5
137.02306	1.7
138.03130	21.5
139.00266	2.5
139.03926	15.4
145.02840	1.8
147.04416	3.4
149.02338	1.3
150.03137	1.3
151.00270	3.7
151.03931	7.3
152.01067	9.1
152.04306	0.6
153.01839	10.4
159.04404	2.1
161.02373	7.3
161.04477	1.0
162.02988	0.7
163.03821	0.9
166.02629	1.7
167.03426	22.1
169.68291	0.6
177.01862	21.1
181.04924	1.6
187.03886	1.8
189.01866	53.1
190.02594	12.2
191.03418	11.1
193.04982	0.6
203.03421	5.4
216.00610	7.3
217.01378	32.8
218.01872	3.7
219.02945	11.9
220.03322	0.9
231.02899	9.7
232.03583	1.4
233.04523	1.7
259.81763	0.6
289.07178	1.9
296.05295	1.4
297.06104	8.0
311.07718	26.9
312.08090	2.1
323.05441	1.7
341.06653	100.0
342.06982	10.5
451.12430	48.3
451.22211	1.2
451.32953	8.1
452.12225	6.5
452.18878	0.8
452.21487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1245
Annotation	Curculigoside B
Peak:m/z	Relative Intensity
51.26820	0.4
52.85480	0.5
55.49034	0.5
57.03313	1.3
58.00447	0.6
59.01254	7.6
60.30935	0.5
61.03482	0.4
61.98695	2.2
65.00200	1.0
69.48904	1.5
69.49328	1.8
71.01252	6.6
72.99170	0.6
73.02812	2.5
81.03342	1.0
83.01263	1.9
85.02830	2.8
87.00757	0.9
89.02319	4.2
91.01768	1.2
91.37794	0.6
93.03319	1.0
95.01248	1.2
95.04913	1.1
96.99174	0.7
97.02858	0.6
98.19820	0.9
101.02329	6.0
107.01286	1.6
108.02094	0.7
109.02840	50.4
110.03136	1.4
111.00752	1.2
113.02345	3.8
119.03391	1.0
121.02857	1.3
123.04412	85.9
124.01511	0.7
124.04736	3.2
125.02340	4.3
135.00761	0.7
135.04393	1.0
137.02342	2.5
139.00296	2.8
149.04395	0.5
151.00284	6.6
151.03894	1.3
152.01019	2.1
153.01851	100.0
153.05481	86.4
154.02167	4.1
154.05818	4.1
161.02402	0.7
161.04410	1.0
163.03928	0.8
165.01839	0.9
167.03403	0.9
169.01341	1.6
170.99747	0.5
177.01871	1.4
179.05522	0.6
195.02962	3.2
195.06430	0.7
201.09479	0.7
225.03963	1.2
235.26820	0.6
237.03909	0.8
269.04474	1.0
270.04755	0.9
271.05151	1.4
289.07181	1.1
289.20236	0.6
297.06149	74.4
298.06485	5.6
315.10864	1.8
451.12555	55.9
451.25562	1.5
452.13010	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84102	2.5
57.03338	2.5
59.01256	43.9
61.98708	13.8
66.28430	2.4
66.30985	2.1
71.01257	15.7
76.12199	2.5
83.01315	3.6
85.02868	4.8
89.02334	25.7
89.31267	2.3
95.04901	4.2
97.02845	4.3
101.02335	10.2
109.02842	24.2
113.02340	9.3
119.03423	12.7
121.02812	4.9
123.04411	17.7
124.21233	2.8
125.02323	22.3
137.02339	15.8
137.05928	2.6
139.03931	4.9
149.02322	6.1
151.03896	10.3
161.02403	4.9
161.04576	4.5
161.05975	6.0
164.01068	3.3
165.01810	4.2
175.03960	4.4
179.03400	6.4
179.05595	5.6
187.03944	3.5
188.04620	4.2
195.02107	2.4
203.07109	13.7
204.07407	3.4
205.05013	7.4
208.48843	2.6
213.05557	4.4
221.08249	2.8
237.08284	2.4
241.05008	14.1
245.08127	14.6
247.06210	3.3
256.07413	7.1
271.09821	9.2
289.07178	100.0
290.07483	10.0
303.13071	2.8
331.08087	4.2
378.18130	3.0
451.10272	5.1
451.21976	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	451.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	6.9
57.03332	4.8
58.00447	2.0
59.01253	41.6
61.98697	2.4
68.99670	0.8
69.03328	2.1
69.21862	4.0
69.22278	2.4
71.01257	69.6
72.01591	1.5
72.99178	4.0
73.02825	38.4
75.00745	2.4
76.93663	0.6
79.95642	0.7
81.03328	1.5
83.01257	17.1
85.02827	37.0
85.99972	3.3
87.00751	5.0
89.02320	17.1
91.61749	0.7
95.01260	5.0
96.95888	4.6
97.02847	3.9
98.20497	1.4
99.00761	15.0
99.04408	0.8
101.02326	74.9
102.02625	1.4
109.02832	1.3
111.00771	3.5
113.02332	25.2
115.03894	2.7
119.03439	1.1
119.20847	0.8
123.04401	1.3
125.02357	5.5
129.01810	1.9
131.03392	4.5
137.02370	1.0
143.03404	3.3
149.04436	1.8
159.02913	5.5
161.04465	24.8
161.05812	1.4
170.99307	0.9
191.05486	0.9
201.14830	1.0
205.03444	1.4
233.06589	3.7
243.17973	0.9
289.07162	2.7
293.08795	1.4
319.21246	100.0
320.21570	10.2
363.20090	1.5
451.25467	97.3
452.25833	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	451.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	6.6
56.22940	0.5
57.03327	6.6
57.49464	0.6
58.00467	5.0
59.01252	76.7
60.01597	0.6
61.98712	1.7
68.99711	0.8
69.03326	1.8
70.92070	0.9
70.92398	0.8
71.01254	100.0
72.01590	2.1
72.99184	7.6
73.02818	27.0
73.03241	0.8
75.00754	1.6
78.01646	0.5
81.03323	1.3
83.01259	18.1
85.02825	38.9
85.99970	1.8
86.03159	1.6
87.00748	4.7
87.04414	0.7
89.02319	55.5
95.01262	5.2
96.95887	2.0
97.02838	2.9
99.00766	10.5
99.04361	0.6
101.02322	89.5
102.02656	2.0
109.02865	1.0
111.00775	7.9
113.02332	26.8
114.02637	0.7
115.03871	1.8
117.63526	0.5
119.03394	5.2
123.04414	0.8
125.02335	5.8
129.01797	2.4
131.03397	29.9
132.03706	1.1
137.02351	1.5
141.01886	0.8
143.03421	5.8
149.04453	11.1
155.14281	1.4
159.02884	4.2
161.03212	1.1
161.04468	21.5
161.05797	1.2
162.04814	0.8
174.66129	0.6
179.05495	1.4
190.96942	0.6
191.05530	0.9
205.03349	1.8
215.05482	1.4
230.52325	0.6
233.06616	5.5
244.25754	0.7
264.48828	0.8
289.07129	1.5
289.23770	4.6
290.07651	0.7
293.08777	0.7
301.20099	0.8
319.21243	78.0
320.21585	8.1
363.20001	1.6
413.33002	0.6
451.25153	54.4
452.25485	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	451.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.3
59.01252	100.0
60.01603	1.3
61.98705	5.3
65.42068	0.6
69.03328	1.0
69.07072	0.6
70.88386	1.1
71.01250	21.4
72.97173	0.6
72.99208	2.2
73.02798	4.2
75.00739	0.9
82.73708	0.8
83.01267	2.7
85.02820	8.4
87.00769	2.2
89.02315	13.1
89.02827	0.9
93.03342	1.5
95.01263	2.1
95.04916	1.1
96.16444	0.6
97.02885	1.1
99.00771	1.9
101.02319	17.0
105.11651	0.7
108.02057	1.1
109.02841	14.9
110.03235	1.1
111.00784	1.5
113.02341	9.4
117.03354	1.9
119.03395	6.3
119.04937	2.7
121.02828	1.3
123.00774	1.2
123.04420	19.1
123.05305	1.4
124.01536	3.8
124.04749	1.6
124.30809	0.6
125.02354	3.6
129.01831	0.8
133.02855	2.4
135.04462	1.4
137.02380	2.7
139.03909	5.6
143.03436	1.6
143.05127	0.7
145.02887	5.3
147.04428	2.1
149.02423	1.1
151.00337	1.0
151.03917	4.5
152.01001	1.7
153.01855	2.9
159.02994	2.0
159.04494	1.0
161.02391	5.9
161.04478	8.8
161.05931	1.5
162.03099	1.0
163.03926	2.6
167.03412	14.6
167.04706	1.3
168.03845	0.9
176.01125	0.9
177.01855	16.7
177.03296	1.3
177.05470	0.7
178.02254	1.5
179.03485	1.1
179.05577	2.3
181.04980	0.8
187.03954	1.2
189.01852	26.0
190.02641	8.0
191.03554	5.4
191.05305	4.7
192.05894	1.6
193.06070	2.7
199.04082	1.1
203.03479	3.2
205.05118	1.5
216.00620	4.5
217.01358	17.5
218.01939	2.0
219.02924	7.0
229.18175	1.5
231.02959	4.9
232.03644	0.9
265.07230	1.4
281.04828	1.7
287.05557	0.8
289.07236	3.1
297.07764	1.4
299.05692	1.6
311.07855	2.1
323.05673	0.8
328.06018	0.8
341.06647	53.7
342.07077	5.7
391.23376	35.9
392.23746	5.1
409.08420	0.9
451.10223	11.1
451.15729	2.9
451.25491	6.8
452.10538	2.2
452.15924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58121	1.4
54.70141	1.5
59.01253	4.0
59.67216	1.6
61.56562	1.8
69.03323	2.5
96.95884	1.5
98.20537	6.0
112.01558	7.3
113.02345	9.8
180.79286	1.7
224.10336	1.7
257.15494	7.2
329.28302	2.4
343.30130	26.3
344.30469	3.3
344.64960	1.7
345.31619	39.1
346.31909	8.2
363.32645	3.3
371.29495	3.9
389.30597	42.0
390.31259	8.0
401.42508	1.9
415.28333	6.0
433.29575	100.0
434.29861	16.3
436.26077	8.8
451.30609	49.0
452.30585	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	451.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60602	1.0
59.01256	100.0
61.98695	2.4
67.61624	0.9
71.01255	2.6
71.04890	3.1
71.54438	1.6
78.95773	3.0
81.03333	2.3
83.04903	15.5
83.60661	1.1
85.83782	1.0
96.95892	3.4
139.29913	1.2
213.14473	1.1
221.22153	1.1
307.23987	1.6
313.22012	1.2
315.23297	29.4
316.23715	2.8
317.24832	12.1
340.60553	1.2
345.27988	6.1
349.23846	2.7
361.23914	2.8
389.26978	25.2
390.27383	3.0
391.29700	32.4
392.30121	6.0
407.28082	1.9
451.16141	2.3
451.27008	46.1
452.27399	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	452.2782
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
50.49429	0.1
70.11100	0.6
71.01244	0.2
73.05562	0.2
78.95778	19.0
96.96806	0.2
98.50528	0.2
101.26754	0.1
105.28754	0.2
122.00043	0.9
134.98456	0.2
140.01080	5.3
146.30519	0.2
152.99506	1.8
160.13574	0.1
166.02589	0.2
171.00511	0.2
184.17441	0.2
196.03741	9.4
197.04083	0.4
214.04805	2.2
237.22099	0.2
242.93456	0.2
255.23271	100.0
256.23615	10.5
256.26358	0.4
322.84412	0.2
452.27829	23.3
453.28061	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97411	2.7
58.00468	4.2
59.01255	97.6
59.88327	2.8
60.01554	2.5
61.98704	6.3
63.51825	2.6
65.83270	2.4
71.01260	61.2
72.99192	5.4
73.02831	11.0
83.01287	3.1
85.02840	9.4
87.00775	7.5
89.02325	100.0
98.19775	6.9
98.22206	3.2
99.00768	2.9
101.02334	42.7
101.78944	2.6
113.02325	13.7
116.37125	2.5
119.03416	8.2
120.86910	2.6
123.04418	28.7
124.04760	3.5
125.02324	6.9
127.97146	3.2
131.03412	41.1
147.65137	2.7
149.04462	86.1
149.05652	6.1
150.04778	3.3
153.05479	35.4
154.05824	4.8
161.04468	4.1
167.81120	3.1
179.05611	3.6
191.05595	18.4
194.15401	2.8
258.42902	2.9
259.28647	2.8
298.76556	3.0
393.17737	43.2
394.17841	5.4
404.36221	2.7
415.16138	5.1
441.24716	3.6
453.13541	6.0
453.19006	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64220	1.6
55.01750	1.4
57.03321	2.0
58.00473	2.8
59.01250	100.0
61.01665	2.0
61.98698	3.1
64.10671	1.4
65.58409	1.5
71.01256	38.7
72.99187	4.3
73.02822	12.8
74.86878	1.4
75.00728	1.7
81.03352	3.0
83.01264	6.0
85.02825	11.4
87.00756	6.8
87.04406	2.5
89.02321	38.1
93.03303	3.0
97.02811	2.9
101.02322	38.3
103.03882	12.0
109.02835	12.2
113.02280	9.5
115.03873	3.7
117.42105	1.5
119.03406	14.3
119.04916	15.5
120.99516	2.1
121.02872	3.5
122.03647	2.2
123.04408	10.5
125.02326	12.7
131.03383	7.5
133.04924	2.1
133.06560	1.6
135.04349	2.7
137.02370	5.2
139.03912	2.7
143.03403	8.9
143.43492	1.7
145.02901	2.2
145.04974	5.9
149.02405	3.9
151.03917	5.1
152.01015	1.7
153.01750	2.0
159.04436	2.0
159.08052	1.9
161.04605	2.7
161.05998	5.9
163.03964	2.9
163.06033	55.0
164.06419	1.5
165.01889	7.6
165.05508	1.6
167.03563	1.8
179.03404	3.2
179.05540	6.0
180.04256	3.5
187.03900	1.9
195.06563	3.8
203.07109	12.2
205.05020	5.5
205.07117	17.4
245.08118	8.4
247.11903	2.7
265.09299	5.0
289.07178	40.6
290.07541	4.4
315.08707	9.4
341.06793	4.1
393.17599	25.2
394.17859	3.8
453.11725	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	453.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.2
61.98703	2.1
62.44526	1.5
64.63161	1.4
76.50610	1.7
78.95773	39.9
86.42870	2.0
96.96825	4.1
98.19744	2.9
109.02867	2.7
127.07550	1.6
136.05186	3.2
146.33827	2.0
147.08218	1.7
147.15488	1.6
151.07578	6.3
152.99495	65.5
153.99820	1.7
165.01956	1.8
171.00540	17.1
207.54163	1.7
216.98192	1.6
225.18562	64.0
226.18861	4.0
227.03214	4.8
245.04298	100.0
246.04636	4.0
372.46274	1.6
435.34860	2.4
453.22589	35.2
453.35931	2.0
454.22830	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	454.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93471	0.7
59.01258	6.4
61.98707	100.0
68.27801	0.7
71.01263	2.1
71.54033	1.4
83.57650	0.7
89.02339	3.3
97.06492	0.7
100.28349	0.8
101.02342	1.4
103.09074	0.8
104.75280	0.7
115.63221	0.6
119.03386	1.0
121.02870	1.0
123.16881	0.7
123.80813	0.9
309.24484	0.7
454.25537	1.0
455.26691	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	455.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.5
57.03330	2.7
58.00465	2.1
59.01254	97.1
61.98706	7.4
71.01254	36.1
71.01651	1.2
72.99184	2.8
73.02824	15.6
82.09971	1.5
83.01244	9.3
85.02818	21.3
87.00763	1.9
89.02327	9.2
95.01277	2.6
97.02856	1.6
98.20590	2.0
99.00765	8.5
101.02330	47.1
101.03005	2.5
113.02329	15.4
123.04400	1.2
125.02313	2.3
131.03403	40.1
143.03412	2.3
145.02808	1.9
149.04495	2.4
153.05490	2.3
159.02892	2.6
161.04469	10.9
178.02522	1.4
181.05191	1.4
193.04950	2.4
253.70778	1.3
263.14990	100.0
264.15259	8.0
379.68326	1.4
395.13956	2.8
395.19202	46.9
396.19528	6.8
455.15125	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	4.5
56.71914	1.1
57.03326	2.9
59.01252	60.0
61.98698	2.3
71.01259	39.9
71.34099	1.5
72.01594	1.2
72.99201	1.3
73.02816	19.6
83.01262	15.4
85.02824	22.8
89.02308	4.5
95.01260	2.1
96.00448	1.2
97.02827	1.8
99.00744	7.9
101.02327	53.6
103.03884	2.5
109.02864	1.0
111.00787	1.7
113.02334	18.3
122.03644	1.2
123.04445	1.3
125.02322	2.7
129.01823	1.9
132.75665	1.1
143.03433	1.9
153.05501	1.6
159.02841	5.8
161.04475	15.7
218.28403	1.3
249.13402	81.8
250.13765	4.5
273.83963	1.2
395.19229	100.0
396.19504	10.5
459.97931	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	455.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36589	2.3
55.01774	4.8
57.03318	3.7
59.01253	76.0
61.98700	6.9
69.03320	2.8
71.01254	44.4
71.53939	3.4
72.99184	7.4
73.02824	20.2
75.00745	2.9
81.45518	2.2
83.01266	9.9
83.13081	2.2
83.75211	2.2
85.02818	20.8
87.00764	4.8
89.02308	6.9
93.03294	2.7
95.01263	4.0
96.96865	2.3
97.02866	2.8
98.02313	3.1
99.00760	8.9
101.02316	50.1
108.02068	2.3
111.00785	2.7
113.02329	21.3
119.04904	3.3
123.04424	4.1
125.02338	5.4
133.02847	7.3
135.04427	4.8
137.02365	4.5
143.03456	2.6
145.02878	7.5
153.01903	2.9
159.02925	4.1
161.02368	29.3
161.04393	12.9
163.03857	2.5
167.03435	2.6
177.01904	12.8
179.03383	3.9
191.05609	2.9
223.33220	2.3
249.13402	76.0
250.13753	5.2
388.69617	2.6
395.19208	100.0
396.19489	9.6
439.17923	2.5
455.11221	12.3
462.78870	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3531
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
55.42668	1.0
55.98466	0.9
61.98693	1.4
66.60625	0.8
73.03874	1.0
74.55713	0.9
80.57203	0.8
86.62918	1.0
92.10179	0.9
96.95915	1.5
98.20671	2.3
115.62724	1.2
125.48901	1.0
128.43069	0.9
174.13338	1.0
211.79785	1.2
229.62965	1.0
406.66199	1.0
455.35300	100.0
456.35660	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.1
61.28656	0.3
70.69057	0.7
71.01255	1.6
72.99158	0.3
73.02819	0.8
85.02838	0.3
86.87853	0.3
89.02325	1.0
93.03338	0.6
99.00216	0.2
99.00750	1.3
101.02339	0.6
111.11771	0.3
113.02352	0.5
119.04920	100.0
120.05246	5.2
131.14233	0.3
133.06523	0.5
145.02876	0.8
161.05933	0.6
163.03926	48.9
164.04239	3.4
205.05023	0.9
325.09250	1.1
329.58374	0.3
354.12042	0.3
457.13525	74.5
458.13873	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	457.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90002	3.0
58.00455	4.3
59.01257	89.1
61.98695	11.8
64.03355	2.7
70.00041	13.2
71.01260	51.0
72.00759	3.8
72.99183	7.6
74.02343	9.3
83.01276	10.1
85.02830	20.2
87.00759	6.0
89.02325	57.8
93.03346	10.1
95.01242	5.4
96.95889	5.0
97.02876	3.1
100.00283	3.5
101.02328	27.2
111.00748	13.2
113.02316	20.6
117.03352	9.1
118.04975	18.1
119.03419	22.4
119.04913	65.2
123.04430	16.0
125.02335	5.8
132.02127	4.7
133.02855	26.1
133.06450	5.6
135.04393	13.4
137.02287	4.8
143.03362	3.9
145.02870	8.3
145.06491	5.3
147.04413	35.6
148.04926	3.1
149.02359	3.6
149.05978	6.0
157.06480	5.1
159.04425	8.3
160.05177	3.6
161.02335	29.3
161.04573	5.9
161.05971	35.0
163.03897	7.5
169.32652	3.0
172.05171	6.5
173.06007	35.7
175.03931	30.9
175.07581	6.8
177.05496	7.4
179.03409	7.5
179.05522	11.4
185.05983	16.9
187.07599	3.7
188.04814	3.6
189.05614	7.4
201.05431	9.3
203.03496	8.7
203.07039	44.9
205.05086	4.5
215.07031	26.9
217.05017	30.7
233.08147	9.5
235.06050	5.6
247.06117	45.3
248.06223	3.8
251.05646	5.4
265.07147	2.9
277.04102	4.9
277.07184	100.0
278.07498	8.7
280.79501	3.0
281.06616	9.5
295.08115	8.5
341.08548	5.4
397.11411	5.1
457.07617	4.8
457.13535	61.1
458.13913	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	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.1
57.03340	2.0
58.00462	3.1
59.01254	78.2
61.98700	1.8
69.64913	1.6
69.82092	3.4
69.82487	4.2
71.01256	44.5
72.99177	5.5
73.02814	3.2
83.01254	4.8
83.04870	1.6
85.02803	10.0
87.00732	3.0
89.02320	47.1
95.01278	3.7
96.95885	1.8
98.19853	2.2
99.00703	2.5
101.02331	38.9
107.04891	1.7
107.24378	1.8
107.70251	1.7
109.02868	2.4
111.04370	3.1
113.02328	14.0
119.03492	19.8
119.04917	94.4
120.05223	3.1
121.06451	5.4
123.08025	6.1
133.06508	3.0
161.05995	2.2
163.03932	49.8
164.04352	2.0
171.11734	4.3
179.05510	3.6
189.12738	12.2
205.04999	4.3
215.10585	3.3
229.68253	1.7
233.11722	2.8
277.10773	13.2
457.17877	100.0
458.18259	13.5
474.65668	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	457.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.7
57.03326	1.3
58.00473	4.3
59.01253	88.2
60.01582	1.0
61.98703	1.7
63.64134	0.5
69.03328	9.7
69.34057	5.1
71.01256	86.0
72.01599	1.3
72.99167	4.6
73.02822	11.7
75.00747	3.8
79.01756	0.7
80.73354	0.6
81.03338	4.8
83.01259	6.4
85.02828	10.1
87.00750	3.1
89.02320	100.0
90.02676	1.8
93.03348	0.6
95.01289	3.1
97.02832	12.5
98.19827	1.1
99.00761	17.4
99.04395	2.7
101.02328	15.3
109.02808	0.8
111.00764	2.6
113.02325	9.1
115.03896	10.0
119.03389	2.0
119.04951	0.9
121.02853	0.7
123.00760	0.8
123.04440	1.6
125.02338	47.8
126.02644	1.3
127.03894	1.8
131.03395	8.2
135.04315	0.8
143.03387	3.3
147.04405	1.3
148.05208	69.8
149.04431	9.9
149.05617	3.9
153.05409	1.3
155.03397	1.1
161.04436	2.2
163.03972	3.2
163.07556	17.6
164.07860	1.1
173.04410	0.7
175.00284	0.6
190.02568	0.8
191.05559	7.8
193.05106	0.7
205.04991	1.0
215.05417	0.6
233.06612	34.1
234.06847	1.8
240.43060	0.6
286.63095	0.6
293.08783	21.7
294.08957	1.4
457.17419	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	457.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89479	0.9
55.01752	1.9
58.00470	1.6
59.01255	69.8
66.47102	1.0
69.03325	7.6
69.33429	7.8
71.01257	68.9
72.01584	2.5
72.99193	2.4
73.02824	10.2
75.00735	1.8
76.59294	1.0
77.00963	0.9
81.03339	3.5
83.01258	3.4
85.02834	9.2
87.00784	1.3
89.02322	100.0
90.02687	1.3
90.68507	0.9
95.01273	3.0
97.02837	10.5
98.19759	1.9
99.00771	16.3
99.04391	2.4
101.02330	13.7
109.02858	1.0
111.00752	2.0
113.02328	7.4
115.03893	8.8
119.03383	1.2
125.02345	47.8
126.02739	1.8
127.03875	1.7
131.03409	10.5
131.19640	1.0
143.03421	3.9
145.38628	1.0
148.05208	77.4
149.04453	11.6
149.05641	3.8
161.04454	2.0
163.07565	29.8
164.07907	1.8
173.04593	1.3
191.05566	7.9
214.92294	1.1
231.94803	1.1
233.06633	39.7
234.06862	1.6
293.08853	26.1
294.09015	2.6
307.62790	1.2
377.23889	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
57.03316	0.6
59.01254	11.1
61.98703	3.6
68.64156	0.4
68.99657	0.4
69.03316	0.8
71.01258	9.8
72.99181	0.6
73.02823	2.6
75.00751	0.7
81.03367	0.4
83.01257	1.6
85.02834	5.6
85.49006	0.4
87.00758	1.4
89.02322	1.8
91.01776	1.4
93.03333	1.9
95.01293	0.9
99.00761	1.6
101.02333	6.1
107.04931	1.0
108.02061	1.2
109.02833	1.6
113.02317	3.1
119.01269	5.0
119.04929	1.5
121.02857	3.6
123.04414	1.6
125.02324	1.5
131.03435	0.4
133.02872	0.8
134.03618	1.8
135.04420	2.2
137.02339	2.3
139.03918	0.8
145.02863	0.9
147.00777	5.8
147.04428	0.7
149.02345	10.7
149.05991	15.5
149.07188	0.7
150.03151	1.1
150.06366	0.7
151.03926	1.5
152.01057	2.5
153.01770	0.6
161.02374	1.1
161.04462	1.7
162.03171	0.7
163.03946	4.6
164.03430	0.7
164.04713	8.6
165.01860	3.2
165.05362	0.8
169.04973	0.8
173.09772	0.4
175.00296	32.7
176.00734	1.6
177.01852	0.8
177.05527	0.4
179.03450	0.9
179.07088	1.9
181.05025	0.7
189.01906	1.0
190.02649	82.3
191.03059	5.5
192.04211	0.4
193.01366	0.8
194.02119	0.4
203.07083	0.7
205.05008	99.0
206.05345	6.9
207.02957	1.2
207.06590	0.7
208.03683	1.8
209.04526	2.3
223.06071	16.3
224.06346	0.8
225.07497	0.5
235.13144	0.6
247.06212	0.6
251.05383	0.7
267.03510	0.4
392.81607	0.4
427.12466	1.9
439.18036	0.6
442.14883	3.2
443.15125	0.5
457.17224	100.0
458.17520	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	457.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96394	0.1
57.03342	0.2
59.01250	2.4
61.98706	2.4
64.57012	0.1
67.58610	0.1
69.03316	0.1
69.29724	0.9
71.01257	1.0
73.02818	0.4
81.03326	0.1
83.01249	0.2
85.02827	0.5
86.65072	0.1
87.00744	0.4
89.02328	0.7
92.50220	0.1
93.03345	0.4
94.80981	0.1
95.86391	0.1
97.02845	0.2
101.02304	0.7
103.03903	0.4
104.00576	0.1
108.02057	0.4
109.02879	0.1
113.02352	0.2
118.93316	0.1
119.03409	0.3
119.04913	0.3
121.02841	0.2
121.06484	0.2
122.03646	0.8
123.04419	0.5
124.01583	0.2
124.04779	0.1
125.02344	0.4
131.04955	0.2
134.03661	0.1
137.02347	0.4
139.03883	0.3
145.02882	0.2
147.04401	1.2
148.05217	2.2
149.05992	100.0
150.06332	5.1
153.05475	0.4
154.05775	0.2
156.97760	0.1
163.05994	0.2
168.72453	0.1
175.00323	0.2
190.02650	0.4
191.07080	0.2
191.30644	0.1
205.04959	0.6
217.54657	0.1
290.66678	0.1
307.10526	0.2
337.07251	0.2
457.17740	1.4
458.18005	0.1
482.68701	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76406	0.2
55.64023	0.3
55.64778	0.3
56.85469	0.2
59.01252	100.0
60.01585	1.4
61.98699	1.1
71.01258	2.9
71.55209	0.3
72.99204	0.3
73.02829	1.0
83.01271	0.5
85.02834	1.2
87.00776	0.8
89.02332	2.2
95.01270	0.3
97.06460	0.3
99.00729	0.5
101.02319	2.4
103.66630	0.3
109.02847	0.5
113.02328	1.7
119.03392	0.7
119.04949	0.5
123.04394	0.6
125.02384	0.5
129.21330	0.3
129.69023	0.3
135.04497	0.4
138.85519	0.3
139.03915	0.4
145.02870	0.4
153.05438	0.3
161.04486	1.2
163.03888	1.8
170.66953	0.3
178.06322	1.3
193.08694	2.3
308.39447	0.3
325.16565	0.9
397.22592	0.8
457.14087	0.4
457.20410	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.4
59.01252	18.6
61.98707	4.1
61.98978	0.8
71.01260	10.4
71.54427	1.4
73.02814	3.1
83.01269	1.5
85.02814	6.2
87.00751	1.4
89.02304	4.8
93.03360	1.5
95.01229	1.2
96.69136	0.8
101.02316	6.1
108.02045	1.1
108.04438	1.2
109.02814	1.5
111.00766	4.6
113.02341	4.2
117.03355	3.1
119.04921	2.7
121.02911	1.3
121.24159	0.8
123.04406	3.1
124.04779	1.4
132.02065	21.7
133.02872	4.1
134.03639	21.3
137.02391	4.3
139.03917	2.0
145.02844	5.1
149.06007	3.6
151.03966	1.3
151.05830	1.0
152.01019	1.1
153.05525	2.0
154.05730	1.3
160.01576	96.4
160.14162	0.9
161.02040	4.5
161.04498	0.9
163.03874	1.4
175.03926	100.0
176.04248	7.2
177.05540	1.4
179.07092	1.7
190.02618	0.8
191.05608	1.3
193.05006	30.6
194.05376	1.1
195.06509	1.8
211.07523	1.1
235.05977	1.3
235.09807	0.8
307.08121	1.2
457.17206	83.7
458.17789	11.4
482.18375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.3
57.03307	3.1
58.00461	2.2
59.01254	52.1
59.54570	1.4
61.98701	11.9
69.03334	2.3
69.53982	9.4
71.01259	43.8
72.99168	3.4
73.02837	9.8
75.00764	3.3
81.03311	2.7
81.14558	1.4
83.01231	4.4
85.02827	23.9
87.00779	7.4
89.01820	2.4
89.02323	33.1
93.03312	2.9
95.01247	3.3
96.95882	1.9
97.02825	2.8
98.20628	1.7
99.00738	6.9
101.02335	19.5
107.04926	1.6
109.02797	1.6
113.02361	12.2
119.01246	5.8
119.03351	4.0
119.04873	5.1
121.02782	3.5
123.04406	3.5
125.02328	12.3
131.03366	4.7
133.02849	2.3
134.03587	4.0
135.04370	6.5
136.01529	1.5
137.02335	8.4
139.00232	1.9
139.80252	1.7
147.00749	6.7
149.02377	10.1
149.04451	1.6
149.05934	2.5
150.02982	1.7
151.03821	1.4
153.05441	3.7
153.63940	1.7
160.01544	4.0
161.02327	3.1
161.04483	8.0
163.03836	6.3
164.04671	8.9
165.01784	2.7
175.00291	40.1
175.03885	7.0
177.01784	2.2
179.03375	2.8
179.06967	2.5
190.02661	84.4
191.02965	4.8
191.05525	2.5
193.04938	2.9
205.05011	100.0
206.05215	6.1
209.04469	2.1
221.06584	1.7
223.06100	15.5
224.06352	1.7
233.06665	8.9
293.08749	8.1
379.09958	1.6
418.76074	1.5
427.11978	2.5
442.14465	4.5
457.16898	93.7
458.17276	11.5
468.21051	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	457.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80183	0.5
59.01254	100.0
60.01583	1.1
61.98710	2.4
71.01250	8.8
72.99198	0.8
73.02826	1.2
76.09622	0.5
85.02840	2.0
87.00770	1.2
89.02324	11.2
90.02664	0.6
101.02328	5.9
113.02325	4.4
119.03394	4.8
119.04933	1.1
124.36050	0.5
125.02309	0.8
131.03413	0.6
143.03421	1.2
149.04604	0.6
161.04507	0.9
163.03964	1.5
179.05614	0.8
209.11777	0.8
215.69878	0.5
270.98337	0.6
287.85803	0.5
300.49500	0.5
397.22620	0.7
457.11536	1.2
457.24780	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30154	1.1
57.64915	1.1
59.01270	2.0
62.10072	1.1
66.90900	0.9
70.39701	2.8
71.01266	1.0
73.02827	32.7
84.45214	1.1
89.02313	1.8
99.00761	4.2
106.92202	1.0
116.92757	7.1
117.01838	100.0
117.92884	1.1
118.02201	1.6
156.26945	1.3
200.56044	1.1
341.10773	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.5
58.00463	2.2
59.01250	42.8
61.98705	4.5
67.64996	1.4
71.01256	24.9
72.99186	2.5
73.02840	3.7
75.00745	1.9
79.06945	1.5
81.03376	1.6
83.01268	3.7
85.02827	14.8
87.00770	5.3
87.04414	2.4
89.02338	11.7
95.01222	2.3
99.00734	2.0
101.02312	12.9
101.05966	100.0
102.06309	2.6
113.02362	9.1
113.05944	2.6
115.07539	88.3
116.07906	2.3
117.03349	7.7
119.03404	4.5
119.04912	4.3
121.02850	4.1
122.03599	1.7
123.04405	3.1
125.02342	4.9
128.67030	1.4
129.01854	1.7
133.02832	9.1
134.03647	1.6
135.04425	24.9
137.02362	4.8
137.05952	2.1
143.07042	11.1
145.01804	2.6
145.02864	27.6
146.03673	10.0
147.04427	9.3
149.02325	3.1
151.03882	3.1
153.01857	10.7
159.06506	1.5
161.02361	50.9
161.04506	5.1
161.05911	2.3
162.03148	35.6
163.03851	5.3
165.05464	2.2
173.08099	3.3
177.05510	19.7
178.02669	1.9
179.03461	3.7
179.07025	1.5
180.04167	2.5
189.01904	3.0
191.01854	2.5
191.03433	2.7
195.06595	4.7
203.09238	3.9
205.05026	43.1
206.05353	3.9
215.03429	2.6
219.06635	3.4
221.04614	2.1
233.04523	54.4
234.04820	3.5
245.04620	2.6
255.03026	2.2
323.07739	4.8
339.08554	32.6
339.11926	1.8
340.09128	4.8
364.19254	1.5
409.15317	1.5
459.12918	34.7
459.18613	2.5
460.13678	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	459.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06449	0.7
54.70345	0.7
55.01749	0.9
58.00456	0.9
59.01255	100.0
60.01589	2.5
61.13902	0.7
61.98704	5.8
64.28909	0.8
66.25512	0.6
69.03320	1.4
71.01257	28.8
71.54536	1.1
72.99194	3.0
73.02820	5.8
75.00748	1.3
77.48496	0.7
78.15608	0.8
79.44030	0.7
79.72842	0.7
81.03307	1.1
83.01266	1.6
83.04900	0.8
85.02827	6.5
87.00759	2.7
87.04383	0.7
89.02319	28.5
93.03324	0.8
95.01265	1.9
96.39536	0.7
96.95881	7.3
97.02834	3.6
99.00751	1.7
101.02317	13.9
109.02841	0.9
111.00783	1.1
113.02336	7.5
115.04022	0.8
117.03329	1.9
119.03394	2.0
119.04877	1.3
121.02834	1.0
125.02351	7.5
131.03389	7.6
135.04446	1.3
136.01561	2.0
138.01897	1.4
143.03395	2.5
145.02855	6.8
146.03154	2.1
148.05206	39.5
149.04453	9.0
149.05591	2.3
151.03955	4.2
151.07536	1.0
161.02327	1.7
161.04480	5.7
163.03922	1.7
163.07556	56.0
164.07925	4.3
165.09132	77.5
166.09483	5.8
166.10648	1.0
179.03386	0.8
191.03418	6.7
191.05464	3.0
201.05521	0.9
223.13335	2.2
233.06599	1.2
235.08263	1.2
243.35223	1.0
267.12335	1.9
293.08771	7.1
297.07645	3.4
307.08047	1.1
323.07513	0.9
337.20230	0.9
399.16003	0.9
399.23932	1.7
459.17020	1.3
459.22720	7.7
460.22659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1876
Annotation	Apiosylepirhododendrin
Peak:m/z	Relative Intensity
52.80875	0.6
55.01756	2.5
57.03323	2.4
58.00475	3.3
59.01253	78.0
60.01581	1.2
61.98705	4.6
69.03328	2.8
70.41386	1.6
71.01257	78.0
72.01585	1.4
72.99184	5.1
73.02819	15.1
75.00745	0.9
75.33154	0.6
81.03342	1.9
81.06954	1.5
83.01267	7.6
83.55633	0.6
85.02824	17.8
85.99956	0.7
87.00761	4.6
89.02320	80.5
90.02664	1.3
95.01261	3.0
97.02813	4.6
99.00764	3.3
99.04386	1.0
101.02325	44.9
102.02665	0.8
103.03909	3.3
108.04343	0.6
111.00786	1.1
113.02341	16.0
115.03897	1.0
116.84517	0.7
117.03343	0.8
119.03393	6.9
119.04939	1.0
121.10124	97.5
122.10464	5.4
125.02352	14.6
131.03397	21.5
143.03371	3.5
145.02855	3.3
145.04921	0.7
147.04449	2.1
149.04468	31.2
150.04794	1.0
151.03922	1.0
159.02888	1.2
161.04491	13.4
161.05861	1.2
163.03836	1.0
163.06052	6.0
163.07452	0.9
163.11137	0.7
165.09131	100.0
166.09473	6.4
187.07088	0.6
191.05551	9.6
192.05885	0.7
205.07091	3.2
233.06631	1.8
247.08237	1.1
293.08789	11.2
307.08188	1.2
313.16586	18.6
313.60165	0.7
314.16898	2.1
411.74939	0.6
459.22568	9.7
459.29559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47103	0.5
55.01747	1.1
57.03329	1.0
58.00466	2.9
59.01252	100.0
60.01598	1.4
60.59996	0.5
61.98706	6.0
68.40011	0.5
69.03339	2.4
69.33450	3.6
70.53790	0.5
71.01256	47.9
72.01598	0.7
72.62591	0.5
72.99200	3.5
73.02819	9.8
75.00751	1.6
81.03339	1.4
83.01266	4.1
83.04930	0.9
85.02827	8.8
87.00763	2.3
87.04393	0.6
89.02318	71.2
90.02680	1.3
95.01266	2.2
96.95909	1.3
97.02839	4.9
99.00760	15.8
99.04419	1.1
101.02325	24.8
111.00765	1.2
113.02340	8.4
115.03893	2.6
119.03387	3.9
121.10117	24.7
122.10460	1.5
125.01438	1.1
125.02337	21.2
131.03398	9.6
137.33607	0.5
143.03403	3.3
145.02829	2.1
149.03299	1.2
149.04469	24.0
151.03940	4.2
161.04483	4.5
163.06111	0.8
165.09126	16.0
166.09462	0.8
167.01491	0.5
179.10712	0.5
191.03632	1.0
191.05531	7.4
192.05844	0.6
207.10153	1.4
221.06537	0.8
233.06627	10.8
237.11250	1.0
271.02267	0.8
275.07535	0.8
293.08792	13.2
294.09134	0.7
297.07599	0.7
307.08255	0.7
313.16626	1.0
399.23718	1.7
459.08936	1.1
459.21674	3.6
459.29303	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17970	0.6
57.03322	1.4
58.00467	2.7
59.01252	100.0
60.01598	1.4
61.98701	4.6
66.27502	0.5
69.03336	3.7
71.01256	51.4
71.55133	0.8
72.01595	1.1
72.99194	3.6
73.02823	11.8
73.03198	1.2
75.00745	1.5
81.03345	2.0
83.01268	1.7
83.04884	1.0
85.02815	9.6
87.00763	2.8
89.02318	73.3
90.02666	1.2
95.01291	2.1
96.95885	1.0
97.02811	5.7
99.00761	16.1
99.04443	1.7
101.02322	27.5
101.74869	0.5
101.85603	0.7
102.02640	0.8
109.02847	0.7
111.00782	1.3
113.02328	9.3
115.03878	3.0
117.03315	1.0
119.03395	3.3
119.04941	0.8
121.10124	27.5
121.11000	1.4
122.03619	0.9
122.10490	1.7
125.02336	23.8
125.03244	1.2
131.03401	10.8
143.03461	3.1
145.02872	2.3
149.04469	25.4
150.04866	1.4
151.03893	3.7
161.04486	4.9
163.03915	0.7
165.09126	14.7
165.10474	1.0
166.09480	0.8
179.05736	0.7
191.03688	1.1
191.05544	7.9
193.12350	0.7
200.75557	0.7
207.10249	2.5
207.35672	0.7
221.06680	0.7
233.06609	11.8
237.11349	2.4
243.03149	0.7
265.54279	0.6
285.03915	0.8
285.14996	0.6
293.08786	12.6
297.07907	0.8
307.08084	0.8
327.18628	1.0
399.24075	2.0
459.09476	1.6
459.22394	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	459.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18478	0.3
53.68302	0.3
55.01762	1.7
57.03327	1.8
58.00463	1.0
59.01251	100.0
60.01586	1.2
61.78970	0.3
61.98706	2.9
69.03336	1.2
71.01254	37.4
71.50665	0.5
72.01596	1.0
72.99168	1.5
73.02817	10.6
75.00757	0.9
81.03349	1.0
83.01257	3.9
83.04904	1.3
84.02039	0.4
85.02827	12.5
86.03185	0.4
87.00730	1.8
89.02319	21.5
93.03340	1.0
95.01251	1.9
97.02843	1.7
97.06472	3.4
99.00756	7.3
99.04369	0.5
99.35297	0.4
101.02325	21.0
101.05986	0.5
102.02680	0.4
109.06470	3.2
111.00798	0.6
113.02331	12.4
115.03901	1.1
119.03409	2.2
123.04411	0.9
125.02343	6.6
131.03407	6.4
137.02367	1.5
137.03349	0.3
143.03400	2.1
145.02821	1.0
149.04471	10.3
149.09691	0.4
151.03928	1.0
159.02908	1.9
161.04468	15.9
162.04799	0.4
163.03925	0.4
165.09138	0.6
165.12772	14.7
166.13110	0.9
170.94904	0.3
171.51422	0.3
177.01863	4.8
179.05495	0.8
191.05504	3.4
201.39409	0.4
205.03467	0.7
209.11723	0.6
211.07562	0.3
233.06633	4.6
237.14964	4.8
238.15314	0.6
279.90805	0.3
293.08777	7.8
327.18152	6.1
328.18451	0.7
391.05750	0.3
399.23975	3.6
400.24371	0.3
441.73761	0.3
443.22760	0.9
459.22366	14.0
459.29535	1.4
460.22571	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01587	1.4
61.98715	1.1
68.42954	0.4
69.22081	4.5
71.01253	10.1
72.99198	0.6
73.02829	2.1
80.75137	0.5
81.03336	0.5
83.01278	1.1
83.04920	1.3
85.02805	3.0
87.00741	0.7
89.02312	10.2
89.02834	0.7
97.02872	0.5
98.20562	1.1
101.02322	7.1
113.02331	3.9
118.95425	0.5
119.03388	5.4
131.03409	0.7
143.03397	0.9
145.04959	0.6
151.06285	0.4
160.01578	1.2
161.04468	3.3
175.03970	1.5
179.05553	1.7
189.82379	0.5
192.01237	0.5
217.00502	0.5
231.57675	0.4
255.03159	0.6
269.92462	0.5
312.03009	0.6
313.03738	0.9
343.31094	0.5
378.01367	0.5
399.23846	5.7
420.30701	0.6
459.16553	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.9
57.03326	1.5
58.00475	0.5
59.01254	100.0
59.83393	0.3
60.01590	1.4
61.98710	2.4
65.06406	0.3
69.03324	0.6
69.26995	2.6
71.01257	15.0
72.99197	1.1
73.02820	3.8
83.01272	1.6
83.63667	0.4
85.02824	4.8
87.00769	1.1
89.02323	10.3
95.01294	0.7
96.95876	0.5
97.02840	0.8
98.20583	0.7
99.00779	1.6
99.04396	0.9
101.02331	9.6
102.02673	0.4
107.04934	1.3
109.06526	0.5
111.00820	1.0
113.02335	4.5
113.90321	0.3
117.03325	0.4
119.03413	1.9
119.04901	0.5
121.10122	0.8
123.04391	0.4
125.02335	3.0
131.03397	3.3
143.03471	1.2
145.02864	2.8
149.04457	3.9
151.11267	0.4
159.02948	0.6
161.04475	4.8
163.03932	0.6
163.06041	0.5
165.09155	1.3
165.12781	2.6
179.05559	0.4
191.05597	1.6
202.12642	0.3
233.06731	1.0
293.08853	1.4
296.98154	0.3
307.08313	1.2
327.18204	1.0
399.23892	3.2
400.24316	0.6
415.30750	0.4
417.25000	1.0
443.23007	0.5
459.22446	2.0
459.29758	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	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60734	0.3
55.01764	0.4
57.71523	0.3
59.01251	100.0
59.22152	0.3
60.01587	1.1
60.43397	0.3
61.98700	0.9
63.45696	0.2
69.27975	2.0
71.01250	5.2
72.99184	0.4
73.02825	2.1
75.00739	1.1
75.76481	0.3
75.82878	0.3
76.65864	0.3
83.01264	0.9
85.02824	2.8
89.02332	1.1
95.01259	0.5
99.00768	0.9
101.02325	5.2
113.02317	2.2
119.03363	0.6
125.02312	0.4
136.09605	0.3
143.03430	0.4
145.02869	0.4
159.02921	0.5
161.04457	4.3
170.37831	0.3
205.03560	0.5
238.07933	0.2
270.40073	0.3
297.21042	0.3
302.18732	0.3
311.09830	0.5
370.30176	0.3
399.23862	11.4
400.24301	1.4
459.18961	1.0
459.26141	2.7
460.26654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2906
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
56.21301	0.7
57.09179	0.8
57.84257	0.8
70.85579	0.7
70.85898	1.3
101.88480	0.7
107.04905	33.3
108.05255	1.6
116.92714	1.0
132.25882	0.7
158.62531	0.8
163.11192	100.0
164.11536	7.5
174.16942	0.7
189.76616	0.7
207.55502	0.7
238.09737	0.7
283.17026	27.9
284.17422	3.0
292.80743	0.7
295.17020	13.9
296.17313	2.1
459.29034	79.7
460.29456	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	461.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77200	0.5
57.04947	0.5
59.01252	13.7
65.88390	0.4
69.41204	3.5
71.01247	3.7
75.05453	0.4
85.02913	0.4
89.02316	5.8
101.02319	1.6
107.01266	1.0
110.30414	0.4
113.02342	1.8
114.86343	0.4
119.03410	3.0
125.02380	0.7
131.03418	0.7
143.03377	0.7
145.02965	0.6
151.00250	2.2
171.04398	0.8
175.03906	0.8
178.99767	0.5
179.05502	2.2
183.04486	0.6
187.03928	0.6
199.03983	4.3
200.04239	0.7
201.01855	1.6
203.03342	0.5
215.03462	3.9
225.01868	0.8
226.02557	0.6
227.03465	5.1
229.01514	0.7
239.07567	0.4
242.02168	8.7
243.02968	34.8
244.03400	2.9
255.02956	3.1
257.04572	8.5
258.04831	1.3
269.97113	0.5
270.01666	10.0
271.02484	37.2
272.02856	3.6
285.04053	16.1
286.04791	4.7
299.01987	11.5
300.02713	9.1
301.03305	1.0
314.04324	44.5
315.05072	35.2
315.08951	1.0
316.05542	3.1
357.06161	1.1
461.10916	100.0
462.11267	17.0
465.49655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26664	0.6
59.01254	7.4
59.98460	0.6
64.58797	0.6
69.03320	1.2
71.01251	7.9
71.49051	0.7
73.02823	3.4
81.03336	1.7
83.01286	1.5
85.02837	5.2
88.52251	0.6
89.02322	1.0
95.01264	2.7
97.02826	1.6
99.00752	1.0
101.02320	4.4
102.46094	0.6
103.03915	0.8
108.02056	49.0
109.02848	36.2
110.03165	1.1
113.02300	0.9
121.02845	1.0
123.00750	1.9
123.04380	0.9
125.02325	1.9
143.03358	0.8
151.03870	0.9
152.01064	70.2
153.01852	16.9
154.02251	0.9
163.03882	1.3
165.01868	1.5
214.80002	0.7
258.60736	0.7
268.19623	0.6
328.89468	0.7
383.33542	0.7
461.13007	100.0
462.13348	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	461.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	1.6
57.03326	2.7
59.01254	76.5
61.98698	5.7
65.00190	2.4
71.01257	32.2
71.49649	1.1
72.99189	2.6
73.02824	7.3
81.03342	1.2
83.01270	6.3
85.02822	17.9
85.03278	1.4
86.03222	1.5
87.00755	3.0
89.02319	15.7
93.03329	5.9
95.01275	4.7
96.95905	2.3
96.99242	1.2
97.02806	1.9
99.00759	3.6
101.02337	23.9
107.01290	2.5
108.02092	1.5
109.02866	2.4
109.99989	2.7
111.00797	1.9
113.02348	11.9
117.03360	20.5
119.03415	4.7
119.04918	16.5
121.02856	4.5
123.00771	4.0
123.04423	55.3
124.04773	2.2
125.02353	3.2
130.04080	1.5
131.03467	2.2
131.04881	1.6
133.02855	8.5
133.06512	1.8
134.03658	1.5
135.04433	6.6
137.02356	9.6
137.06018	2.5
139.00258	1.7
139.11197	4.9
143.03426	2.0
143.04918	1.2
145.02863	100.0
146.03214	4.9
149.02319	1.4
149.04491	1.5
151.00282	6.9
152.01038	2.7
153.05487	52.8
154.05800	2.6
157.02841	2.7
159.02924	2.2
159.04285	1.5
160.01668	1.2
161.02379	20.2
161.04483	14.7
161.05859	2.7
163.00330	1.8
163.03920	11.7
164.04655	6.9
164.57509	1.3
164.98187	1.6
165.98985	2.2
166.99780	1.7
171.04378	1.4
173.02451	1.6
174.03062	1.9
175.03917	1.8
178.99753	2.9
179.03452	1.9
179.05598	1.7
179.07036	5.4
181.12262	1.9
183.10210	7.9
185.02432	1.9
186.03168	2.0
187.03960	4.4
191.01962	2.2
193.98428	1.2
194.99329	1.2
198.06723	2.4
199.03978	3.8
201.01913	1.6
202.02615	3.9
203.03511	2.5
213.01993	1.2
214.02737	3.2
215.03400	7.1
227.03534	3.4
229.01422	1.5
230.02046	2.0
231.03056	2.2
241.01430	11.2
241.07246	13.2
242.02158	5.8
242.07988	3.7
243.02960	9.5
245.00909	6.7
255.03011	5.4
255.10287	1.7
257.00955	1.9
258.01730	3.3
259.02429	4.0
269.00931	4.1
269.13876	1.6
270.01712	6.9
271.02454	19.0
281.06641	7.1
283.02444	3.4
284.03195	1.7
285.03897	3.3
286.01163	4.4
287.01962	18.2
297.00461	5.9
298.01147	4.4
299.01999	20.3
299.05338	2.7
300.02679	8.5
301.03516	1.5
307.08273	41.3
308.08557	4.0
314.01010	2.2
314.04340	3.1
315.01474	21.8
315.05139	7.4
316.02203	2.7
317.02969	2.7
323.07709	1.5
365.19739	16.0
366.20163	2.0
377.14514	1.5
383.20825	12.2
384.21292	1.4
401.21967	6.9
433.07550	1.9
461.07333	27.2
461.14392	21.4
461.20477	23.5
462.07855	5.8
462.14697	3.4
462.20047	2.0
471.98538	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	461.1456
Annotation	CHEBI:65664
Peak:m/z	Relative Intensity
52.44024	0.2
57.03321	0.3
57.93789	0.2
59.01251	3.9
69.03329	0.2
69.80764	0.4
69.81177	0.7
71.01259	3.0
73.02821	0.6
75.00759	0.2
81.03326	0.3
82.92757	0.2
83.01271	0.5
85.02816	2.2
87.00784	0.4
89.02331	0.8
93.03333	1.1
95.01318	0.2
95.04899	0.9
99.00721	0.2
101.02334	1.7
108.02003	0.2
113.02344	1.0
117.03354	20.7
118.03658	1.0
119.04920	14.1
120.05213	0.7
121.02838	0.9
122.03647	0.9
123.04414	80.6
124.04742	3.1
124.87644	0.2
132.02037	0.3
134.03654	0.3
135.04416	0.3
137.02328	0.6
145.02858	100.0
146.03188	5.3
149.02400	0.2
152.04639	0.3
153.05484	74.6
154.05824	3.8
159.04445	0.5
160.01573	1.1
161.02251	0.3
161.04581	0.4
161.05997	1.3
163.03931	12.2
164.04362	0.8
175.03934	1.9
187.03896	1.0
192.57607	0.2
205.04973	0.7
241.01387	0.4
247.06139	0.8
271.02347	0.4
281.06772	0.4
289.07083	0.2
297.09778	0.3
299.01941	0.4
307.08228	55.6
308.08582	5.1
315.10712	1.1
337.09207	0.4
394.36441	0.2
398.26166	0.2
461.07858	0.3
461.14578	5.3
461.24377	1.5
462.14801	0.7
462.24448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40726	0.4
59.01257	5.0
69.39202	3.0
71.01254	3.2
73.02827	1.2
81.02006	0.4
85.02821	2.0
89.02320	0.9
93.03326	0.7
95.04934	0.9
98.52043	0.4
101.02332	1.9
113.02333	1.4
117.03351	19.1
118.03692	1.2
119.04916	12.1
121.02861	0.7
122.03659	1.0
123.04413	71.4
124.04747	2.6
137.02342	0.7
143.69200	0.4
145.02855	100.0
146.03210	4.7
153.05481	79.0
154.05821	4.0
161.04445	0.6
161.06003	0.9
163.03926	14.6
164.04262	0.9
187.03931	1.1
189.05299	0.5
195.06464	0.5
203.07095	0.6
205.04965	1.0
247.06042	1.2
270.01810	0.5
271.02502	0.7
299.01807	1.1
307.08228	83.2
308.08575	8.1
315.05087	1.1
315.10870	2.3
318.39420	0.4
339.52444	0.4
365.19592	1.5
383.20621	0.6
461.07666	0.6
461.14590	7.6
461.20276	0.5
461.24408	0.9
462.14804	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99506	1.5
55.01751	3.3
57.03315	1.6
58.00471	2.1
59.01252	65.6
61.98700	1.4
71.01257	51.9
71.53754	1.3
71.54119	1.5
72.99199	1.9
73.02825	16.5
75.98715	1.6
77.21243	1.4
83.01266	8.7
85.02831	22.8
85.99969	1.4
87.00754	3.1
89.02334	7.9
95.01261	3.9
97.02853	1.9
99.00773	7.2
101.01693	2.8
101.02325	41.2
109.02827	1.8
113.02332	19.6
121.02792	1.8
125.02348	4.2
129.23120	1.3
131.03387	26.8
143.03319	2.3
153.05440	1.3
159.02892	4.0
161.04478	27.0
177.56834	1.6
187.06902	1.5
210.75671	1.6
225.07689	3.0
226.01749	1.3
269.10306	100.0
270.10666	7.8
286.91028	1.6
311.45370	1.5
390.34644	1.5
401.14438	15.3
402.15067	1.5
461.15720	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14664	3.3
59.01255	27.4
61.98711	4.1
68.31748	3.3
69.66508	13.1
71.01266	25.7
72.99182	4.6
73.02823	11.2
75.00746	100.0
83.01271	5.2
85.02840	12.4
87.00772	4.4
89.02345	9.2
96.83673	3.0
99.00768	8.8
101.02345	23.3
108.56921	3.2
110.38333	2.9
113.02332	11.1
116.77979	2.8
119.03385	4.9
124.01605	3.6
124.05463	3.1
125.02390	4.7
150.37984	3.3
154.01376	40.1
161.02440	3.2
161.04456	14.1
181.04944	3.3
187.17531	2.8
269.10284	36.4
401.09863	4.2
401.14554	53.2
402.14737	7.8
461.13531	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	461.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.0
55.19458	1.3
57.03326	3.2
58.00479	2.4
59.01252	53.0
61.98700	1.9
69.03325	1.7
69.61378	7.9
71.01250	52.9
72.01618	1.7
72.99156	2.9
73.02815	17.4
75.00747	2.3
83.01249	8.4
85.02823	18.5
87.00751	2.9
89.02321	28.7
89.02834	2.4
95.01339	1.5
97.02820	2.9
98.19782	1.6
99.00763	5.8
101.02322	38.3
102.02723	1.9
111.00768	7.3
111.01412	1.3
113.02342	16.6
115.03919	2.3
124.28854	1.3
125.02345	5.3
129.01834	1.4
131.03391	14.1
143.03410	3.1
149.02312	1.8
149.04440	7.4
153.05521	2.5
154.01396	1.8
159.02861	1.9
161.04466	13.8
163.89133	1.2
191.05565	1.7
233.06648	4.9
269.10303	34.8
270.10608	2.5
270.16129	1.2
293.08908	3.3
401.14493	100.0
402.14792	13.1
461.13657	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	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86699	0.8
55.01753	1.8
57.03312	1.6
58.00464	3.8
59.01250	85.0
60.01590	1.6
61.98709	7.2
63.87551	0.8
65.09438	0.8
69.03333	5.7
70.93969	2.1
71.01254	72.0
72.01598	1.2
72.99184	5.9
73.02817	16.3
74.02351	0.9
75.00754	3.7
81.03321	4.2
83.01256	6.3
85.02818	11.6
87.00724	4.4
88.98689	1.3
89.02319	100.0
90.02662	1.6
93.03323	1.0
95.01251	2.7
97.02828	9.4
99.00753	20.5
99.04392	1.4
101.02326	41.2
103.03902	1.7
109.02843	1.7
111.00752	1.4
113.02345	10.5
115.03897	4.1
117.01892	0.8
119.03386	4.4
121.02848	1.3
122.03516	1.0
123.00719	1.0
123.04427	1.7
125.02341	30.6
126.02683	1.1
127.03843	1.0
131.03401	12.7
133.02768	0.9
138.01837	2.0
143.03397	5.4
145.02820	1.4
145.04881	0.9
149.04462	29.9
150.03105	1.4
150.04834	1.3
154.01331	1.3
159.02882	1.2
161.04422	5.5
163.06027	2.7
165.05426	1.0
167.10680	16.8
168.11060	1.0
177.12834	1.2
181.04985	0.8
181.12311	1.2
191.05556	12.5
191.10677	2.2
195.06645	1.0
205.07152	2.7
209.11771	3.3
221.06583	0.9
221.11781	3.1
233.06616	17.4
234.06902	1.2
239.12866	1.6
241.01401	2.3
245.00830	1.4
270.01724	2.7
271.02457	2.8
284.03195	5.3
293.08777	23.3
294.09119	1.2
299.01913	3.4
299.05588	10.2
299.22348	1.0
300.02325	0.8
329.19727	4.2
401.21500	1.2
412.29721	0.9
461.06671	2.1
461.12152	1.5
461.23788	5.0
461.31155	1.2
462.27127	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	461.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.1
61.98705	0.7
62.42390	0.4
67.45937	0.3
69.56134	2.2
71.01284	0.5
78.95782	8.2
78.96213	0.6
84.23526	0.4
85.02840	0.5
89.02350	0.4
95.04935	0.5
110.98416	7.4
111.08060	0.5
113.09624	0.5
117.03507	0.4
119.28471	0.4
123.18547	0.4
150.47841	0.4
152.99445	0.5
161.35017	0.3
163.55490	0.3
167.01077	2.7
167.10689	0.5
173.12103	0.4
179.14366	1.5
181.12303	0.5
185.02141	6.9
195.13849	8.9
196.14372	0.9
205.12306	0.8
205.16087	0.7
207.10191	0.8
211.13394	0.9
219.21097	0.4
223.13359	8.1
224.13800	0.7
225.11287	0.5
228.13754	0.6
241.01456	1.7
242.02135	0.6
245.00787	0.5
256.13217	2.0
265.21567	0.4
270.01752	1.6
271.02414	1.3
275.20184	5.6
276.20239	0.4
293.21231	100.0
294.21512	10.0
298.01212	0.5
299.01917	1.6
330.31934	0.4
347.48080	0.4
461.07208	1.8
461.23056	17.5
462.23532	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	461.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.8
57.03338	2.2
58.00468	5.0
59.01250	100.0
59.98393	0.8
60.01596	1.7
61.98709	4.0
69.03323	2.3
70.87821	0.9
71.01253	69.4
72.01598	1.1
72.99182	8.4
73.02819	16.4
75.00736	1.7
81.03342	1.1
83.01255	6.1
83.04894	0.5
84.02013	0.5
85.02821	22.6
85.99952	2.7
86.03164	0.9
87.00751	12.3
87.04388	3.7
89.02317	64.3
90.02673	1.5
93.03329	0.9
95.01273	3.3
97.02829	2.6
99.00748	2.5
99.04373	2.1
101.02322	47.6
102.02660	1.3
103.03896	10.4
104.04176	0.4
109.02849	1.0
111.00747	0.9
113.02328	22.6
114.02676	0.7
115.03889	5.2
117.04955	0.5
119.03391	24.5
120.03751	0.5
120.99538	0.7
123.00762	0.9
123.04418	0.8
124.01523	1.5
125.02343	11.5
126.02615	0.5
127.03867	1.4
131.03398	18.2
135.04265	0.5
137.02379	2.0
137.03253	0.5
138.01799	0.5
143.03400	21.1
145.02844	0.5
145.04953	4.7
149.04469	5.7
149.99437	1.6
153.01801	0.5
157.38405	0.4
158.79996	0.4
159.02921	0.4
161.04460	5.5
163.06036	31.1
164.04659	3.7
164.06296	1.1
167.10692	51.6
168.00504	3.1
168.10991	3.1
169.01080	0.5
179.05450	3.1
179.07033	1.4
191.05443	1.2
191.72849	0.4
205.07109	30.8
206.07417	1.8
233.06508	1.2
241.01317	1.3
242.66008	0.4
245.00813	0.6
247.08180	5.9
270.01675	2.0
271.02429	1.4
281.06650	2.1
283.02420	0.8
285.03702	0.5
293.08780	3.4
298.01062	1.0
298.04462	0.8
299.01779	1.6
299.05435	1.3
315.17990	2.1
401.21503	1.7
405.72366	0.4
422.39417	0.6
434.01578	0.5
461.11383	3.9
461.23581	7.5
461.28961	0.6
462.11362	0.7
462.23853	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	461.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57411	0.4
57.03316	0.6
58.00467	1.3
59.01252	67.8
60.01593	0.8
63.02299	0.6
69.66797	2.8
71.01254	14.8
72.99198	1.0
73.02836	0.8
79.44279	0.5
83.01289	1.1
85.02831	2.9
87.00767	1.1
87.38287	0.5
89.02319	25.5
95.01270	0.9
101.02320	8.1
107.01295	0.7
113.02336	7.4
114.38761	0.5
117.03358	0.5
119.03397	10.2
123.04420	0.8
125.02332	0.7
131.03383	1.9
143.03410	2.3
145.02846	2.1
148.01488	0.5
149.04498	0.8
151.00275	4.2
151.88242	0.5
153.01860	0.4
153.05446	0.5
161.02420	0.7
161.04463	2.6
163.00226	0.5
164.01018	1.0
165.01881	0.5
166.36337	0.4
171.04425	1.4
172.04778	0.5
179.05531	7.9
183.04517	0.6
187.03838	0.8
197.02264	0.7
199.03947	6.2
201.01891	1.9
203.03398	1.6
214.02766	0.5
215.03436	5.6
216.04008	0.7
226.02728	0.7
227.03452	6.0
229.01471	0.8
241.01427	0.6
242.02168	10.2
243.02959	54.8
244.03342	4.8
255.02997	4.8
256.03418	0.7
257.04526	14.9
258.04962	1.2
270.01691	15.2
271.02472	57.9
272.02859	7.6
285.04050	33.6
286.04660	11.6
287.02158	0.9
287.05188	1.1
299.01971	22.0
300.02679	17.0
301.03210	2.3
314.04324	72.4
315.05026	41.7
316.05453	4.4
357.06308	1.5
370.63943	0.5
461.10910	100.0
462.11279	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	462.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.4
57.03336	0.3
58.00464	0.4
59.01256	7.5
60.01596	0.3
61.98706	100.0
65.00202	0.4
69.03323	1.8
70.94753	0.5
71.01259	3.9
72.99191	0.6
73.02836	0.9
78.83874	0.2
83.01270	0.5
85.02831	1.6
87.00763	0.6
89.02326	2.5
93.03345	3.0
95.01245	0.5
97.02859	0.8
99.00790	0.9
101.02320	2.6
102.13103	0.3
107.01270	0.3
108.02045	0.3
109.02848	0.6
111.00790	0.3
113.02335	1.6
117.03374	0.7
119.03415	0.8
119.04919	0.6
120.99509	0.3
121.02866	0.7
123.04453	0.7
124.01529	1.4
125.02351	0.4
131.03447	0.5
133.02873	1.1
135.04456	0.3
137.02353	7.1
139.03908	3.7
139.04921	0.3
140.01048	0.3
145.02846	1.7
146.03221	0.4
148.01624	0.3
149.02420	0.3
149.04483	0.3
149.06067	0.3
151.00287	2.0
151.03954	0.9
153.01834	0.5
153.05505	1.0
159.52083	0.2
160.01563	0.3
161.02405	1.6
161.04494	0.6
162.61484	0.2
163.00230	0.4
163.03963	0.5
165.05452	0.3
167.10818	0.5
168.11028	0.4
178.99850	0.7
179.03477	1.1
179.05528	0.6
185.00880	0.9
189.12813	0.9
199.03831	0.3
203.01947	0.6
211.04089	0.3
216.04257	0.3
221.06654	0.7
226.02690	0.5
227.03465	0.8
238.03186	0.3
239.05614	0.6
242.02180	0.4
243.02945	3.8
244.03252	1.2
255.02962	4.4
258.04852	0.3
270.01761	0.4
271.02469	10.9
272.02954	1.4
285.04129	0.5
286.04562	1.0
299.01855	1.2
300.02750	14.7
301.03513	7.4
307.08545	0.3
314.04504	0.8
315.04663	1.7
316.05167	0.3
323.07764	0.4
403.23373	0.4
404.95117	0.3
462.11288	5.0
462.24240	1.3
463.09052	10.8
463.16229	6.2
463.25787	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	462.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06026	1.5
55.01757	3.8
57.03322	3.6
59.01253	54.9
60.01594	2.4
60.30838	1.3
61.98705	100.0
62.10806	2.0
65.00223	1.9
71.01257	74.8
71.54745	1.5
72.99176	2.7
73.02822	21.8
83.01250	10.6
85.02821	36.5
85.03290	3.0
87.00755	3.4
89.02312	14.2
95.01274	6.4
97.02830	3.4
99.00777	9.4
101.02327	47.7
107.01266	3.0
108.02032	1.7
111.00764	3.8
113.02333	29.2
119.03400	3.8
121.02778	1.8
125.75815	1.6
128.45313	1.4
129.01826	2.4
131.03450	1.4
143.03398	4.1
145.02834	3.3
151.00328	7.7
156.85378	1.5
159.02913	6.5
161.04469	33.1
163.00316	2.0
169.01324	1.8
178.99854	3.8
205.03407	2.1
209.11749	1.9
226.02705	2.2
227.03549	3.4
243.02948	9.8
254.02266	3.0
255.03003	19.1
271.02487	46.6
273.03891	1.5
299.01834	4.4
300.02740	81.5
301.03516	36.2
301.27591	3.2
462.07599	2.0
462.31970	1.8
463.08878	61.7
463.32907	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0882
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.96872	0.2
57.53566	0.3
59.01232	0.3
61.20300	0.2
63.02289	0.4
65.00185	0.8
65.18100	0.2
67.53729	0.3
68.93545	0.2
69.20142	1.9
69.20548	0.5
71.01261	0.8
73.94539	0.3
83.01254	0.8
91.01778	0.2
93.03320	0.3
94.02650	0.2
98.19769	0.6
101.02311	0.7
107.01280	1.7
108.02067	1.1
109.02828	0.6
109.99496	0.2
113.02338	0.3
121.02834	1.7
131.03474	0.3
135.00778	0.9
140.13010	0.2
148.01575	0.9
151.00281	10.9
152.00600	0.7
159.04433	0.5
161.04504	0.8
163.00273	2.0
164.01073	0.5
169.01329	0.8
174.03160	0.3
178.39503	0.2
178.99786	5.9
186.63718	0.2
187.03925	0.3
190.99825	0.4
192.00514	0.3
199.03963	0.6
201.05374	0.3
203.03474	0.6
211.03963	0.7
215.03470	0.5
216.04231	0.5
226.02629	1.3
227.03471	2.4
228.04044	0.3
229.04948	0.7
239.03381	0.3
243.00462	0.5
243.02954	8.5
244.03391	1.0
245.04482	1.1
254.02130	2.3
255.02954	21.4
256.03287	1.9
271.02478	47.0
272.02930	5.3
273.04083	1.2
283.02585	1.2
299.02179	1.2
300.02744	100.0
301.03467	56.3
302.03876	4.5
312.32126	0.3
331.17603	0.8
343.04517	0.7
463.08820	71.0
464.09085	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	463.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.9
58.00445	0.7
59.01253	17.5
63.25903	0.6
65.00188	2.1
67.01700	0.6
71.01259	15.6
71.31503	0.7
72.99189	1.0
73.02800	2.8
74.24894	0.6
83.01244	1.8
85.02833	5.2
87.00767	1.0
89.01820	1.1
89.02325	12.6
89.54594	0.5
93.03331	2.5
95.01256	2.2
97.02793	0.8
99.00763	1.2
101.02330	9.4
105.50237	0.6
107.01279	2.9
107.87114	0.6
108.02052	0.9
109.02826	2.2
109.99980	2.4
111.00752	2.1
113.02319	3.6
116.79902	0.6
117.03402	0.7
119.03357	1.2
121.02847	1.1
123.00798	3.1
123.04440	1.0
124.01584	1.2
125.02321	2.3
131.03401	2.7
135.00748	1.8
136.98723	1.1
137.02379	1.0
137.99532	1.0
139.00269	3.5
145.02856	1.0
147.04353	0.7
148.01540	0.8
149.04416	2.0
151.00275	7.2
152.01042	2.6
153.01807	1.5
153.05484	1.9
159.03101	0.7
159.04369	1.1
161.02313	0.7
161.04491	3.9
163.00276	3.5
164.01045	1.2
165.99010	4.0
166.99768	2.3
171.04430	1.4
173.06041	0.9
178.99780	4.9
181.01323	0.9
183.04459	2.0
187.03886	2.1
191.03282	0.8
191.05528	1.0
193.01271	0.7
198.03139	0.7
199.03905	2.7
200.04532	1.1
201.01872	0.9
201.05450	1.1
209.11801	7.6
211.03970	1.8
214.02669	0.7
214.75989	0.7
215.03444	2.4
216.04172	1.2
225.71021	0.6
226.02733	1.0
227.03435	8.6
228.04041	0.9
229.05066	1.4
239.03452	0.8
242.01994	1.0
243.02966	14.8
244.03543	3.0
245.04570	1.2
252.25459	0.6
253.09348	1.2
254.02094	1.7
255.00232	1.0
255.02977	32.2
256.03415	4.8
257.04565	6.2
271.02487	47.0
272.03149	14.4
273.03906	2.6
283.02490	6.8
284.02969	1.2
285.04025	1.0
287.01965	2.6
299.01996	6.0
300.02747	47.3
301.03491	30.2
301.06952	1.5
302.03793	2.8
315.01608	0.7
316.02200	11.8
317.02960	13.6
318.03275	1.3
331.17627	5.4
343.06796	1.7
445.07764	1.7
463.08826	100.0
463.21872	7.3
464.09189	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	463.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35511	0.2
55.01749	0.2
57.03315	0.3
58.00460	0.3
59.01251	5.7
60.89355	0.2
61.98693	0.2
63.02278	0.6
65.00188	1.5
68.87402	0.2
70.84964	0.1
71.00887	0.4
71.01254	3.8
71.33961	0.3
72.99167	0.2
73.02818	1.2
77.63826	0.2
82.51947	0.2
83.01266	1.3
85.02813	1.2
87.00755	0.3
89.02317	4.4
91.01772	0.4
93.03349	0.4
99.00772	0.4
100.02666	0.2
101.02326	2.9
107.01277	3.5
108.02042	1.6
109.02837	1.7
110.25349	0.2
111.00780	0.3
113.02346	1.6
119.01282	0.3
119.03387	0.4
121.02840	1.9
123.00791	0.3
124.01553	0.9
125.02335	0.9
131.03397	1.7
135.00775	1.1
137.02338	1.0
141.32849	0.2
143.03423	0.3
145.02896	0.2
147.00841	0.2
148.01575	1.6
149.02361	0.3
149.04463	3.0
151.00281	11.3
151.03958	0.3
152.00990	0.4
153.01834	0.3
155.04984	0.2
159.04414	0.4
161.02435	0.2
161.04471	1.5
163.00307	2.7
163.03934	0.2
164.01108	1.3
167.04893	0.2
169.01360	0.5
174.03052	0.2
178.99789	6.7
180.00189	0.4
183.04431	0.5
183.10193	0.2
185.45741	0.2
187.03946	0.5
188.04762	0.2
189.05453	0.2
190.02567	0.2
190.99811	0.5
191.03770	0.2
191.05545	0.8
192.00583	0.7
195.04765	0.2
198.03145	0.5
199.03897	1.2
201.05481	0.4
203.03406	0.7
211.03954	0.9
214.02658	1.2
215.03418	0.8
216.04182	0.9
217.04668	0.3
226.02682	1.9
227.03444	3.8
229.01398	0.4
229.05040	0.8
231.02974	0.2
239.03491	0.3
242.02180	1.3
243.02966	13.1
244.03419	1.3
245.04471	1.3
254.02194	2.8
255.02977	25.8
256.03363	2.3
259.02466	1.3
260.02963	0.2
270.01709	1.2
271.02481	68.3
272.02911	7.5
273.03973	1.0
283.02460	1.1
287.01990	3.5
288.02518	0.5
299.01993	1.5
300.02747	100.0
301.03458	51.8
301.10571	0.3
302.03833	3.9
313.03503	0.3
316.02228	17.4
317.02866	4.8
318.03372	0.4
331.17615	2.6
343.04453	0.6
463.08817	96.8
463.22125	2.6
464.09134	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	463.0884
Annotation	Quercetin 3-O-glucoside
Peak:m/z	Relative Intensity
55.01757	3.0
57.03326	3.6
58.00469	4.4
59.01253	100.0
60.01582	1.2
61.98701	4.3
63.02271	2.0
65.00191	5.2
69.03335	2.1
69.42721	5.2
71.01257	81.0
72.99188	5.3
73.02823	15.4
81.03344	1.2
83.01256	8.8
83.21655	0.7
85.02826	19.3
85.99960	1.3
87.00754	8.7
87.04405	2.7
89.02320	98.6
90.02644	1.4
91.23707	0.6
93.03355	2.6
95.01258	2.6
97.02845	2.8
99.00770	4.6
99.04362	1.0
101.02327	53.6
102.02659	0.7
107.01272	7.4
108.02077	1.0
109.02845	2.0
111.00770	9.6
113.02329	16.9
115.03907	2.0
116.96315	0.7
117.03395	1.2
119.03387	6.8
119.04942	0.8
121.02831	5.1
123.00789	1.9
123.04427	2.3
124.01559	1.2
125.02322	7.1
126.02649	0.7
129.01840	0.8
131.03404	44.1
135.00751	0.9
137.02368	3.0
139.00287	4.0
139.03873	0.8
139.11166	1.1
143.03410	2.2
143.04871	0.8
145.02853	2.2
146.03192	0.8
148.01585	0.8
149.02499	1.4
149.04468	54.6
150.04776	1.4
151.00282	29.5
151.03947	0.8
151.11174	0.8
152.00790	2.5
153.05521	2.0
157.06633	0.7
159.04414	1.3
161.04495	3.0
163.00278	2.1
163.03836	0.8
164.01056	1.4
169.01343	2.6
169.12222	0.8
171.04449	1.6
175.03944	1.7
178.98228	0.8
178.99796	16.1
181.12300	0.9
183.04451	1.1
183.10188	2.2
187.03941	1.7
191.05548	23.5
192.00534	1.7
192.05855	1.0
199.03906	1.6
201.01752	0.9
203.03442	1.4
211.03886	1.1
215.03453	1.4
216.04158	0.8
217.04993	6.3
226.02792	1.1
227.03467	2.2
231.02940	2.2
233.06677	2.7
242.02054	1.4
243.02988	7.8
245.04489	1.8
255.02965	11.4
256.03320	1.5
259.02457	2.4
270.01569	1.1
271.02490	37.1
272.02951	5.1
273.04178	4.5
287.02026	4.7
288.02634	1.0
289.03583	0.9
293.08936	0.9
299.01965	14.9
300.02731	28.7
301.03510	36.2
302.03928	3.7
308.08929	0.8
316.02283	15.1
317.02979	12.6
318.03375	1.8
331.17551	2.5
360.18954	0.8
418.14615	0.7
445.07474	1.4
463.08810	47.0
463.21451	5.5
463.26056	3.5
464.09070	6.7
473.42319	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0886
Annotation	Quercetin 4'-galactoside
Peak:m/z	Relative Intensity
58.27018	0.6
59.00997	0.7
59.01254	9.1
60.21796	0.6
61.98680	0.9
63.02264	1.2
65.00186	1.6
71.01233	2.2
71.54265	1.0
83.01254	1.5
84.94012	0.8
87.00761	0.9
96.95891	2.3
101.02313	1.3
107.01272	2.7
108.02071	1.3
109.02834	2.7
113.02342	1.2
117.03307	0.9
121.02841	6.5
121.52933	0.8
131.96793	0.6
135.00778	1.0
136.01547	0.8
137.02339	2.5
148.01541	2.2
148.99106	0.7
149.02336	1.2
151.00276	11.3
151.03926	1.7
161.02350	1.7
163.00258	3.2
163.03787	0.8
164.01022	1.0
165.01750	1.6
169.01308	1.4
171.10167	1.5
175.03905	1.0
178.99792	6.7
188.04495	0.7
197.11780	2.7
198.03047	0.9
199.03960	1.6
203.03461	0.8
203.07292	0.7
209.11754	3.7
211.03944	2.4
211.13277	1.0
226.02635	2.5
227.03461	3.8
243.02998	12.9
244.03442	1.4
245.04555	1.3
254.02191	3.7
255.02974	28.5
256.03409	2.7
271.02493	69.4
272.02884	7.7
273.03979	1.2
299.01987	2.5
300.02753	100.0
301.03476	54.0
302.03967	4.7
334.81128	0.7
377.11957	0.7
463.08847	67.0
463.22308	2.6
464.09146	8.3
464.30154	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	463.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54023	0.7
53.13731	0.6
57.27732	0.7
59.01259	5.5
66.02651	0.6
71.01260	1.2
71.08704	1.2
76.50265	0.6
80.58015	0.6
89.02325	2.0
89.96037	0.7
90.65904	0.7
91.31977	0.7
101.59693	0.7
113.02355	1.4
120.99550	100.0
121.99912	2.2
167.03458	0.8
167.07060	1.7
195.04807	0.8
227.09062	0.9
312.17358	0.7
463.76172	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.7
58.00470	10.9
59.01251	35.6
61.98703	49.6
71.01255	26.6
71.54143	1.6
72.99182	4.4
73.02829	8.7
75.00750	25.4
78.94082	1.7
83.01284	2.2
85.02833	10.2
87.00760	2.7
89.02308	16.1
89.02782	2.0
93.03326	1.5
97.02837	2.7
99.00742	4.2
101.02333	17.6
111.00797	2.6
113.02314	7.8
117.03331	4.0
119.03391	5.2
119.04898	2.4
122.05967	1.9
123.04442	3.0
125.02275	2.9
131.03395	2.5
132.04466	2.6
134.07797	1.6
135.96629	1.7
137.02348	2.0
145.02884	13.0
146.06023	8.5
148.07600	3.7
149.04482	2.8
150.03122	1.6
151.00314	3.1
161.04506	7.6
161.05637	1.6
163.03848	2.2
165.05573	2.0
167.05740	3.8
172.08751	1.9
174.05539	2.2
179.05634	6.8
191.05608	3.2
198.06665	8.2
204.06589	7.8
205.07251	3.6
207.05304	2.3
214.09770	2.2
216.06572	2.4
223.13388	2.2
227.08054	1.6
237.06296	3.4
241.07292	66.1
241.09589	2.6
241.14424	1.6
242.07838	14.9
243.08795	6.9
245.53508	1.6
249.06451	1.7
255.02948	3.3
256.09644	2.6
257.10483	3.3
271.02448	4.9
271.14474	8.4
285.10062	8.3
297.12378	2.5
299.14111	2.4
300.02771	12.2
301.03488	10.6
307.08194	4.8
311.11542	3.1
329.15152	13.3
330.15479	2.3
331.17645	9.2
343.13000	7.1
355.13013	5.2
359.18927	1.6
373.14035	76.4
374.14413	7.3
376.13977	4.2
377.14682	5.3
385.14114	5.6
401.14633	6.6
403.14832	9.1
403.19705	4.7
409.14029	3.2
419.15701	100.0
420.15924	15.0
427.15182	3.4
463.08685	6.9
463.16376	20.7
463.22064	15.7
464.17447	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13467	0.9
57.16453	0.8
58.00468	9.6
59.00995	1.1
59.01254	13.5
61.98706	5.4
69.03303	1.1
69.95837	0.7
69.98572	2.3
71.01255	8.3
72.99166	1.5
73.02807	4.3
75.00739	2.2
83.01257	1.0
85.02803	2.9
87.00749	2.0
89.02319	6.8
93.03351	6.7
98.19849	0.9
99.00757	1.2
101.02345	4.4
111.00742	3.4
111.01432	0.9
113.02319	1.9
118.06532	1.3
119.03366	1.6
122.06016	2.1
124.07628	1.8
131.03392	0.8
132.04448	2.5
133.05232	1.0
137.01382	1.3
137.02347	14.6
138.02666	1.0
146.06018	12.6
148.07597	6.4
150.05502	1.1
151.00351	0.8
151.03975	0.9
154.01387	3.6
155.01668	2.7
158.05977	1.6
161.04549	4.7
162.05515	0.9
165.04211	1.5
167.05807	4.7
168.06514	1.4
174.05516	4.8
175.06310	1.2
176.07030	1.1
178.95381	0.8
179.05751	3.2
186.05545	0.8
188.06987	0.9
191.05479	1.2
193.03674	1.3
195.05315	1.0
204.06596	7.4
205.07184	2.1
207.05254	2.8
216.06516	0.9
219.05315	1.0
221.06895	1.0
227.08221	1.9
229.13467	1.1
237.06430	4.9
239.08121	1.1
241.07321	2.1
241.09785	2.0
243.11372	1.3
249.06354	2.5
255.02905	1.3
255.11324	3.2
269.12933	1.7
271.14514	8.2
273.56860	0.9
283.02362	1.2
283.10916	6.2
297.12460	1.0
299.13925	2.2
300.02737	1.3
313.12112	1.0
313.15598	1.3
327.13321	1.1
329.15082	14.1
330.15488	1.3
331.17590	1.2
337.11984	0.9
341.14835	1.1
343.12933	7.8
347.16928	0.9
355.12857	2.7
373.14035	100.0
374.14328	14.4
385.09897	1.0
385.14142	8.8
386.14050	1.1
403.15109	8.8
403.19775	1.9
404.15289	1.4
409.14014	3.6
419.09830	0.9
419.15741	2.1
427.14871	3.3
445.16046	2.7
463.17157	38.1
464.11533	0.8
464.17267	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	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	4.3
56.99704	0.4
57.03328	4.3
58.00468	4.6
59.01252	86.9
60.01581	1.2
61.98708	3.5
65.00200	0.4
65.72278	0.2
67.01765	0.3
68.99687	0.7
69.03327	4.0
69.57188	1.3
71.01255	100.0
72.01594	1.7
72.99184	5.4
73.02821	19.6
74.03180	0.3
75.00753	1.2
81.03326	2.1
83.01260	10.6
83.04896	0.8
84.01598	0.2
84.02044	0.3
85.02826	27.7
85.99963	2.6
86.03165	0.6
87.00753	14.1
87.04401	0.8
89.02320	88.1
90.02674	1.4
93.03322	0.5
95.01269	3.8
96.32932	0.2
97.02836	5.3
98.19817	0.4
99.00761	6.1
99.04414	0.4
101.02326	59.2
102.02647	1.4
103.03873	0.2
107.01266	0.6
107.04905	0.3
109.02814	0.7
111.00764	11.5
111.04380	0.2
113.02334	23.7
114.02662	0.9
115.00223	0.3
115.03912	2.6
117.03323	0.4
119.03396	7.2
119.04877	0.3
120.03701	0.3
121.02844	0.7
123.00777	2.8
123.04393	0.5
124.01583	0.4
125.02343	10.7
127.03870	0.5
128.01028	0.3
129.01854	1.2
131.03398	51.3
132.03719	1.5
133.02844	0.5
135.04407	0.4
136.42624	0.2
137.02348	0.7
138.03093	0.9
139.00238	0.2
139.03915	0.8
140.01051	0.8
141.01807	0.6
143.03404	5.2
145.02864	1.3
148.01506	0.3
149.04466	55.4
150.04787	1.3
151.00291	1.6
151.11189	1.8
153.05489	0.2
155.03406	0.8
155.56877	0.3
159.02895	1.9
161.02525	1.1
161.04465	13.9
162.04819	0.5
163.00237	0.3
163.03960	0.4
164.01054	0.2
167.03421	0.4
173.04428	0.7
178.99733	0.8
179.03407	0.6
179.05522	1.4
187.05882	0.2
191.05548	19.1
192.05890	0.7
192.42361	0.2
203.05498	1.0
205.03468	0.3
207.02699	0.2
215.05528	0.9
219.19249	0.2
221.06615	12.4
222.06915	0.7
226.02614	0.2
227.03429	0.4
233.06627	9.2
234.07008	0.5
243.02866	1.8
251.07774	0.6
255.02922	2.9
256.03308	0.5
271.02463	6.7
272.02823	0.8
280.25507	0.2
293.08789	5.1
294.09021	0.3
299.01868	0.4
300.02750	8.4
301.03473	6.2
302.03934	0.6
307.08356	0.5
313.16507	0.5
313.50562	0.2
331.17642	9.1
332.17950	1.1
353.10883	7.7
354.11081	0.6
445.07581	0.4
454.45520	0.2
463.08545	5.8
463.21634	10.2
464.08923	1.0
464.21902	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.2
57.03320	1.6
58.00237	0.3
58.00471	3.1
59.01253	76.5
60.01579	1.1
61.98707	0.6
63.02276	0.5
65.00191	1.1
69.03320	0.8
69.25908	3.0
69.62072	0.4
71.01257	58.6
72.01600	0.9
72.99184	3.1
73.02821	19.1
77.49377	0.4
83.01250	3.7
85.02824	8.6
87.00761	1.6
88.41515	0.3
89.02319	100.0
90.02673	1.5
95.01278	1.0
97.02825	1.7
99.00760	27.9
99.04389	1.7
100.01102	0.6
101.02325	41.2
102.02662	0.9
107.01265	2.2
109.02856	0.3
111.00800	0.6
113.02329	9.6
115.03900	0.8
117.03336	0.8
119.03399	3.9
120.99496	0.4
121.02851	1.7
123.04382	0.9
124.01555	0.8
125.02338	5.2
129.01768	0.6
131.03398	18.8
132.03679	0.4
135.00854	0.4
137.02426	0.4
139.00298	0.6
143.03397	2.4
145.02843	0.8
149.04465	59.2
150.04799	1.8
151.00288	10.0
151.03909	3.3
153.05495	1.0
159.02881	0.5
160.01619	0.7
161.02412	0.7
161.04463	4.9
163.00294	0.7
165.05563	0.5
169.01370	0.8
175.03973	0.9
176.04327	0.4
178.76962	0.4
178.99780	3.8
191.05547	14.8
192.05910	0.7
201.14903	0.5
209.11734	1.8
221.06625	1.7
226.02753	0.4
227.03433	0.6
228.10587	0.4
243.03053	1.9
245.04642	0.6
251.07768	2.2
254.02357	0.7
255.02963	5.0
256.03513	0.7
271.02478	12.1
272.03055	1.5
273.03979	0.7
293.08975	1.2
300.02753	18.0
301.03506	23.1
301.20435	0.4
302.03790	2.6
316.02313	0.7
331.17606	2.8
445.07947	1.2
463.08853	10.6
463.25909	16.2
464.09238	1.4
464.26239	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.6
57.03326	3.8
57.63615	0.4
58.00472	3.4
59.01253	70.1
60.01583	1.0
61.72120	0.4
68.99702	0.9
69.03336	2.6
71.01257	100.0
71.04899	0.5
71.31564	0.7
72.01587	2.0
72.99190	3.2
73.02822	30.1
75.00743	2.5
81.03345	1.4
83.01259	8.4
83.04893	1.0
84.02056	0.8
85.02827	28.5
85.99982	1.0
86.03176	0.7
87.00755	11.4
87.01270	0.8
89.02321	85.5
90.00916	0.4
90.02665	1.7
95.01260	4.6
97.02846	5.7
99.00762	23.6
99.04413	1.0
100.01147	0.5
101.02328	66.3
102.02664	1.2
103.03886	0.4
111.00782	1.6
113.02335	31.7
114.02690	0.8
115.03913	3.8
119.03394	12.7
120.97158	0.4
124.01531	0.6
125.02345	11.9
126.02676	0.5
127.03960	0.4
129.01839	1.4
131.03403	31.1
132.03749	0.6
139.03922	2.2
141.01823	0.7
143.03410	5.7
149.04471	43.0
150.04810	1.7
151.00302	0.5
151.11177	2.8
159.02914	5.0
161.04469	34.5
162.04828	1.4
179.05554	4.1
191.05554	11.9
192.05911	0.7
195.83080	0.4
215.05605	0.5
221.06630	31.2
222.06921	1.5
233.06644	9.8
234.07004	0.5
243.03110	0.5
251.07693	2.9
255.03119	0.8
271.02451	2.6
293.08795	6.2
300.02744	4.5
301.03522	2.3
302.03900	0.5
331.17633	27.2
332.17972	3.4
353.10916	7.3
354.11224	0.9
381.16098	0.4
445.90097	0.4
463.08749	3.8
463.21805	36.5
464.09128	0.5
464.22067	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	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80524	0.4
55.01759	2.4
57.03331	2.8
58.00469	3.3
59.01251	99.2
60.01599	1.1
61.01672	0.5
61.98706	6.7
62.08092	0.5
65.00203	3.2
69.03333	1.6
71.01254	86.5
71.03803	1.1
72.01588	1.7
72.99192	4.3
73.02818	16.8
81.03324	1.2
83.01253	8.8
85.02825	21.1
85.99981	0.6
86.03184	0.7
87.00751	4.2
87.04392	3.0
89.02319	100.0
90.02658	1.5
93.03342	2.1
95.01260	3.5
97.02848	2.2
98.47770	0.5
99.00763	5.1
101.02323	54.3
102.02673	1.6
107.01250	3.6
108.02053	0.9
109.02834	1.6
110.00017	0.6
111.00774	3.9
113.02329	23.1
113.13561	0.5
114.02660	1.1
115.03880	0.8
116.87180	0.6
117.03320	1.2
119.03387	15.4
119.04815	0.6
121.02837	2.4
123.00796	1.3
123.04401	1.5
124.01572	1.2
125.02351	7.0
125.77184	0.5
129.01862	0.8
131.03398	31.1
132.03754	0.6
133.02864	0.7
134.03650	0.9
135.00917	0.7
136.07585	2.0
137.02339	9.4
137.99503	0.7
139.00266	2.5
143.03404	4.4
143.04961	0.8
145.02838	0.9
148.01581	0.6
148.05200	0.6
149.04466	55.7
149.99443	0.6
150.04779	1.8
151.00282	13.0
151.11246	0.9
152.01022	0.6
153.01854	1.0
159.02884	1.5
159.04364	1.0
160.01578	2.4
161.02304	1.6
161.04469	10.4
163.00293	1.3
164.01091	1.1
165.01878	0.5
165.98993	0.6
169.01357	2.1
169.12285	1.7
171.04443	2.2
173.02328	0.6
173.06070	0.5
174.03160	1.1
175.03973	3.0
178.99776	8.1
179.05530	3.9
183.04359	0.9
187.03958	1.3
189.05536	0.6
190.06300	0.6
190.99893	0.8
191.05545	15.5
192.00497	0.6
199.03973	1.7
199.06023	0.5
201.01953	0.9
203.03424	0.8
205.08626	0.7
208.00211	0.6
209.04523	1.2
215.03430	1.9
217.04979	4.1
218.01866	0.6
221.06619	1.2
226.02641	0.7
227.03523	3.2
231.02956	1.7
233.06668	1.4
242.02229	0.9
243.02968	5.4
244.03300	1.0
245.04515	1.9
247.54228	0.5
254.02252	1.1
255.02946	8.9
256.03467	0.7
257.12915	5.8
258.13251	0.9
259.02463	2.1
260.02786	0.6
269.06506	0.7
270.01779	1.2
271.02472	27.4
272.02820	3.9
273.03949	2.4
281.06723	0.6
287.01974	3.0
288.02411	1.5
289.03479	0.7
293.08679	1.0
299.01917	10.4
300.02722	24.1
301.03485	19.4
301.11853	3.2
302.03787	1.7
315.13544	1.2
316.02231	10.1
317.02972	11.0
322.16525	0.5
331.17596	6.7
337.09177	1.6
343.06540	0.7
343.12939	1.1
359.15027	3.6
360.15555	0.6
445.07608	1.5
463.08713	36.2
463.26300	5.3
464.09006	6.9
464.26208	0.8
483.13403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.6
57.03314	1.9
58.00470	3.0
59.01252	71.9
60.01591	1.2
61.98703	6.5
63.02289	1.1
65.00198	2.0
69.03332	1.4
69.26077	4.5
70.36408	0.5
71.01255	61.4
72.01588	1.5
72.99186	4.1
73.02821	21.5
75.00739	0.8
81.03311	0.8
83.01250	4.0
85.02826	10.8
87.00748	1.6
87.04374	1.6
89.02318	100.0
90.02670	1.6
91.48216	0.4
93.03336	1.9
95.01249	2.0
97.02846	2.7
99.00758	31.4
99.04381	0.6
100.01114	1.0
101.02323	45.2
102.02647	1.1
107.01270	4.4
109.02859	0.7
111.00713	1.1
113.02327	12.4
115.03898	2.3
117.03339	1.6
118.03683	0.6
119.03387	5.4
119.04884	1.6
120.05239	0.6
121.02840	3.8
123.00840	0.6
123.04405	6.5
124.04771	2.7
125.02332	6.9
125.04903	1.4
129.01897	0.5
129.25771	0.5
131.03401	19.2
132.03677	0.6
136.01466	0.6
137.02365	2.4
143.03378	2.6
145.01820	0.7
145.02856	8.3
146.03201	4.9
147.03354	1.8
149.04463	57.4
150.04749	2.1
151.00284	16.8
151.03825	0.5
152.00612	1.0
153.05466	6.1
154.05826	3.2
155.05934	1.9
161.04500	4.5
163.00266	1.1
163.03876	1.1
164.00996	0.8
165.04256	0.5
169.01306	1.2
169.12161	0.6
178.99805	7.7
179.05548	0.8
180.00053	0.9
181.08659	0.6
183.10123	0.6
191.05542	17.4
192.05818	0.9
221.06644	1.2
227.03252	0.8
233.06589	1.1
243.02821	1.9
245.04251	0.5
251.07829	3.3
255.02985	3.4
257.04327	0.7
271.02478	7.9
272.02835	0.9
273.03979	0.9
274.70309	0.5
283.02396	0.5
293.08554	0.7
299.01706	0.6
299.99503	0.8
300.02737	13.2
301.03525	39.2
302.03912	3.7
306.40192	0.5
307.08105	2.2
308.08511	2.9
309.06024	0.4
309.08795	4.9
331.17569	1.3
445.07266	0.6
463.08405	16.5
463.15234	2.4
463.20392	1.4
463.25092	4.0
464.09509	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.5
55.34062	0.4
57.03325	2.0
58.00467	1.0
59.01251	22.2
61.98707	1.8
64.81744	0.3
65.00204	0.6
68.99675	0.3
69.03346	1.3
70.31077	0.9
71.01254	27.4
71.04893	0.4
71.93179	0.4
72.01620	0.5
72.99191	1.7
73.02820	7.3
83.01257	3.1
85.02827	8.9
85.99979	0.7
87.00759	6.6
87.04400	0.7
89.02319	12.7
93.03344	0.5
95.01269	1.7
97.02853	1.3
97.06495	0.4
99.00768	2.7
101.02322	19.4
101.05977	2.0
102.02608	0.5
107.01273	1.1
108.02053	1.0
109.02842	1.1
111.00778	0.5
111.08037	0.6
113.02328	9.3
113.03061	0.6
115.03922	0.6
117.03354	0.5
119.03376	3.0
119.04888	0.5
121.02839	0.9
123.40217	0.3
125.02361	2.5
129.01787	0.5
131.03398	1.9
133.02837	0.9
133.04919	0.6
135.04399	0.6
137.02341	1.5
138.01880	3.6
139.02202	1.7
139.03839	0.4
143.03363	1.7
145.02843	1.3
148.01549	0.6
149.04475	2.6
151.00285	4.1
151.03943	0.7
152.00648	0.4
153.01782	0.5
153.05470	0.5
159.02884	1.4
161.02336	1.4
161.04477	11.0
162.02618	0.6
162.04893	0.5
163.00299	1.1
163.03990	0.4
165.01736	0.4
165.12773	7.3
166.13203	0.4
167.03430	0.5
169.01324	0.5
169.06436	0.6
178.11089	0.4
178.99832	2.0
179.05582	1.2
180.71144	0.4
181.04971	0.4
183.13831	100.0
184.14163	7.0
191.05550	0.9
209.11813	2.3
216.04240	0.5
226.02722	0.9
227.03453	1.0
227.12837	9.1
228.13200	0.5
233.06618	0.8
235.08205	1.1
241.14482	2.9
243.03030	3.6
244.03415	0.5
245.04358	0.4
253.09274	8.7
254.02242	0.8
254.09631	0.5
255.02963	8.2
256.03323	1.0
271.02478	18.8
272.02869	1.9
283.02545	0.6
293.08826	0.5
300.02744	31.4
301.03448	16.9
301.10925	0.5
301.16110	0.4
302.03821	1.0
323.07806	0.4
324.08127	1.0
331.17664	10.1
332.17743	0.9
403.19064	0.5
408.80826	0.3
445.20493	0.8
463.08804	21.0
463.21725	65.8
464.09006	3.5
464.22162	9.7
488.61493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.9
59.01254	4.9
61.98676	0.8
71.01266	0.9
71.36835	0.5
73.02761	0.7
78.95784	5.5
96.95865	1.0
98.19764	1.5
106.20531	0.5
108.02058	0.9
109.02806	0.8
110.98426	5.0
113.09627	2.6
121.02808	0.7
145.16386	0.5
151.00278	2.4
163.00163	0.7
167.01048	2.6
169.34512	0.6
178.99753	1.1
179.14343	0.8
185.02126	4.9
195.13853	17.0
196.14211	1.2
197.07509	0.5
209.11806	1.1
215.91516	0.6
226.02637	0.7
227.03410	1.0
235.67650	0.6
243.02966	2.2
248.23816	0.6
255.02959	8.5
271.02493	16.3
272.02960	2.1
277.21713	15.4
278.21912	1.5
295.22781	100.0
296.23141	10.9
299.02139	0.6
300.02740	22.2
301.03458	13.5
302.03909	1.3
463.08890	16.1
463.24634	17.7
463.30582	0.8
464.09296	2.6
464.25024	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	5.8
56.07888	0.3
57.03324	4.9
58.00469	1.8
59.01255	25.3
60.01606	0.5
61.98704	0.9
68.99692	0.7
69.03337	0.9
71.01254	69.7
71.04883	0.4
72.01600	1.0
72.99184	2.4
73.02819	23.2
73.15051	0.3
74.03172	0.5
75.00747	1.3
81.03326	0.5
83.01259	13.8
84.02045	0.5
85.02823	39.4
85.06450	0.4
85.99972	2.2
86.03159	0.8
87.00755	3.3
89.02320	6.2
91.95599	0.3
95.01262	5.6
97.02819	1.7
99.00095	0.3
99.00275	0.2
99.00759	10.7
101.02324	55.1
102.02667	1.3
107.01245	0.4
108.02034	0.4
109.02831	0.5
111.00764	6.0
113.02331	29.3
114.02693	0.8
115.03864	0.5
119.03422	1.4
125.02315	1.5
129.01845	2.2
129.09125	0.5
131.03427	0.8
139.00331	0.4
141.01836	1.7
143.03407	2.5
148.01479	0.3
151.00258	1.7
159.01631	0.6
159.02910	8.4
161.04468	29.8
162.04823	1.0
163.00299	0.5
178.05014	0.4
178.99814	0.4
196.65051	0.3
205.03468	1.4
209.11751	1.5
211.16771	0.4
213.18494	0.8
243.02940	1.3
254.02396	0.3
255.02998	3.4
271.02454	6.5
272.02917	1.1
299.26022	0.5
300.02753	12.5
301.03445	7.3
301.15408	0.5
301.27435	5.3
302.03790	0.3
302.27908	0.6
331.21350	0.7
343.28729	0.5
369.84232	0.4
371.28036	0.5
463.08881	7.1
463.32751	100.0
464.09152	1.8
464.33099	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	6.7
57.03326	5.3
57.03760	0.3
58.00474	1.9
59.01254	27.3
60.01604	0.4
61.98701	0.8
68.25752	0.3
68.99707	0.5
69.03339	1.3
71.01257	74.5
71.04863	0.3
72.01591	1.2
72.99195	2.6
73.02821	25.0
74.03174	0.4
74.15636	0.3
75.00741	1.5
83.01262	14.3
84.02038	0.6
85.02827	37.6
85.06469	0.5
85.99979	2.7
86.03165	1.1
87.00761	3.6
89.02313	6.4
95.01268	6.2
97.02839	2.3
98.20581	0.6
99.00760	10.5
101.02327	58.8
102.02665	1.6
107.01299	0.6
109.02833	0.3
111.00777	6.0
111.01541	0.2
112.03905	0.3
113.02337	29.3
114.02686	0.9
115.03895	0.4
119.03416	1.1
121.02876	0.4
125.02323	1.7
128.28325	0.3
129.01843	1.9
129.09109	0.6
131.03407	0.7
135.97614	0.3
139.00264	0.4
141.01822	1.6
143.03423	3.5
151.00272	1.3
153.01904	0.3
159.02905	7.6
161.04477	29.0
162.04761	1.4
178.99767	0.6
191.82747	0.3
205.03526	1.8
205.21843	0.3
209.11731	1.6
211.16904	0.4
213.18520	0.9
227.03441	0.6
243.02943	1.7
244.03584	0.3
255.02992	2.8
271.02487	8.7
272.02908	0.8
285.24362	0.5
300.02750	11.4
301.03448	6.2
301.15363	0.9
301.27509	4.9
302.03836	0.9
302.27756	0.6
331.21255	1.3
371.27963	0.3
463.08884	7.4
463.32770	100.0
464.09061	1.4
464.33096	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	463.3432
Annotation	2,3-Diepicastasterone
Peak:m/z	Relative Intensity
51.91770	0.3
54.25203	0.4
59.01250	1.0
59.54667	0.4
69.61231	0.4
98.19751	0.9
100.71109	0.5
115.92014	0.4
121.02847	0.8
122.03618	0.8
123.04404	7.4
135.04396	1.8
136.05212	7.3
137.05954	0.6
143.25677	0.4
151.00342	0.6
151.07559	55.5
152.07906	2.7
161.06059	0.5
163.03944	2.4
164.04692	3.1
165.05240	0.5
177.05258	0.4
178.06299	1.1
179.07065	48.3
180.07446	2.5
196.98906	0.4
222.08856	0.4
222.56104	0.4
243.02960	0.6
255.03041	1.6
256.03348	0.5
271.02576	2.2
300.02759	4.6
301.03378	2.6
333.76254	0.4
345.31253	0.4
357.31866	0.6
370.68448	0.4
375.32697	1.3
419.31674	1.5
435.34778	9.9
436.35214	1.7
445.33469	2.2
463.09088	3.2
463.34387	100.0
464.09369	0.8
464.34671	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.141
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86082	1.2
59.01249	11.2
60.61508	1.3
61.98705	100.0
67.71960	1.4
71.01254	13.7
71.53866	1.5
72.18084	1.2
72.99171	2.1
73.02852	2.1
75.00764	2.6
85.02833	1.7
87.00811	1.4
89.02316	4.5
101.02334	2.5
107.01301	1.7
109.02828	2.3
113.02338	2.1
115.00289	3.1
119.03392	1.7
137.02269	1.4
151.00278	2.9
151.03897	2.2
154.01436	1.2
161.04482	1.9
166.04979	2.3
168.06326	1.3
196.64911	1.3
208.11708	1.3
259.05945	1.8
284.11218	2.0
285.04062	1.6
303.05081	1.3
303.08896	1.8
349.18619	1.6
374.14258	4.5
415.41248	1.4
421.11520	2.4
464.18201	4.8
465.09998	1.8
465.19357	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	465.1039
Annotation	Taxifolin 3-galactoside
Peak:m/z	Relative Intensity
52.69035	0.6
57.03325	12.0
59.01253	16.3
59.01541	1.4
61.98706	1.9
63.90361	0.6
65.00211	3.1
67.24567	0.7
69.03333	1.4
69.62193	4.1
71.01264	7.4
71.04578	0.6
72.99188	0.9
73.02842	2.6
75.00764	0.9
81.03338	1.3
83.01250	5.4
85.02837	2.7
89.02338	5.5
93.03380	1.4
95.01254	4.4
96.36033	0.7
98.19853	1.0
99.00772	1.9
101.02340	4.7
102.04895	0.7
107.01266	4.6
107.04917	1.0
108.02074	2.3
109.02843	8.2
111.00788	2.8
113.02357	2.6
119.03385	1.5
119.04914	2.1
121.02843	2.1
122.03648	1.7
123.00803	3.5
123.04419	6.3
124.01579	8.5
125.02341	100.0
126.02651	2.9
133.02838	1.8
135.04436	1.9
137.02330	4.6
139.00258	1.8
139.03905	2.0
143.08469	0.7
145.02718	0.9
145.05090	0.7
147.04428	2.0
149.02347	3.5
149.04437	1.4
150.03093	3.4
150.99127	1.2
151.00288	17.9
151.03906	7.8
152.01067	14.6
152.04660	1.9
153.01848	12.0
153.05505	2.0
161.02425	0.8
161.04413	1.3
163.00349	2.1
163.03944	1.2
165.01828	1.2
165.05440	0.7
167.03444	1.3
167.07037	0.9
171.04492	1.0
172.05081	0.8
173.05994	1.5
174.03149	1.6
175.03886	5.9
176.01091	2.4
177.01843	5.0
178.99763	9.2
181.01297	1.6
185.05836	0.7
187.03970	1.0
188.04720	2.7
189.05475	5.1
191.03424	1.7
191.05586	1.1
193.05026	3.9
195.06465	1.0
199.03976	2.5
203.03351	0.9
213.05571	0.9
215.07043	1.4
216.04227	1.0
217.05006	8.7
218.05505	0.7
219.02957	1.3
229.05019	0.8
231.06543	2.2
241.04977	2.6
257.04514	2.5
259.06097	13.8
273.13220	0.8
274.04816	2.9
275.05630	8.6
276.05713	0.8
284.03174	1.4
285.04013	29.2
286.04355	2.1
297.06119	3.3
303.05151	12.5
304.05457	0.8
311.07745	1.7
349.18826	0.8
405.21243	0.8
421.11246	2.5
437.10901	21.0
438.10983	2.5
447.09357	8.8
448.09445	1.7
465.10223	82.4
465.30341	2.9
466.10550	11.3
471.66989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69934	0.7
57.03325	5.2
58.00461	1.4
59.01255	36.5
60.01582	1.2
61.98714	3.8
68.99721	0.8
69.03333	3.4
69.71243	3.8
71.01257	25.8
72.01598	2.3
72.99189	3.2
73.02818	5.1
75.00743	0.9
81.03354	1.1
83.01285	2.6
85.02827	7.5
86.03177	1.2
87.00766	3.0
87.84239	0.9
89.02321	17.6
89.03831	1.2
90.02650	1.7
90.99535	0.6
91.02766	0.9
93.03337	15.5
95.01276	2.0
95.04928	1.7
97.02836	1.6
99.00772	2.3
101.02329	14.0
102.02678	1.0
103.02789	1.1
105.03350	0.9
108.02071	12.3
109.02852	20.7
110.03157	1.4
111.00800	1.2
113.02338	6.0
117.03367	2.6
119.03413	3.9
119.04916	7.2
121.02880	2.7
122.03644	1.5
123.00775	1.4
123.04424	31.3
124.01559	4.0
125.02351	16.3
126.02724	1.0
131.03404	4.6
131.09239	0.9
132.03766	1.0
133.02888	3.2
134.03630	1.0
135.04395	0.9
136.01640	0.8
137.02357	21.2
137.05978	1.9
138.03087	2.2
139.03937	4.3
139.07587	1.7
143.03473	1.3
145.02841	7.9
147.04385	4.5
149.02396	3.1
149.04448	4.8
150.03152	2.7
150.04849	1.3
151.03914	11.9
152.72079	0.7
153.01845	1.7
153.05489	5.2
158.03726	1.3
159.04466	2.6
160.01569	3.5
161.02342	7.3
161.04465	4.0
162.03035	1.1
163.03923	1.9
164.01028	1.2
165.01866	2.6
166.02634	1.9
167.03413	4.1
175.03920	5.6
176.01172	2.1
177.01865	29.2
178.02199	1.1
179.05568	2.1
183.10194	9.9
185.00914	1.3
187.03993	2.7
189.01884	57.3
190.02625	13.8
191.01746	1.2
191.03467	12.7
191.05452	1.8
192.03770	1.3
193.01390	1.4
201.01872	0.9
202.02708	4.0
203.03516	6.7
203.07202	1.0
205.01379	0.9
205.05098	0.9
212.04871	0.9
216.00601	10.5
217.01373	41.9
218.01987	5.2
219.02965	18.7
220.03253	0.9
221.06528	1.0
225.11266	1.4
227.03513	0.9
231.02971	13.3
232.03656	1.9
233.04565	1.0
241.05054	1.1
243.02933	1.1
245.04688	1.4
245.08333	1.4
256.03595	0.8
257.04507	1.0
271.06131	3.4
273.03134	0.8
281.04578	2.5
281.10214	0.8
285.04086	0.8
289.07214	5.7
297.04248	1.5
297.07437	1.5
299.11456	2.6
301.07166	1.3
302.03668	1.7
303.09119	1.4
303.21954	1.3
313.03723	1.2
313.07263	1.7
323.05853	0.9
333.19321	1.2
341.06671	100.0
342.06976	12.2
355.08246	9.3
405.25192	1.1
447.07306	1.6
447.25836	1.0
465.12091	39.5
465.27164	11.4
466.12613	6.9
479.21988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21903	0.6
54.87255	0.5
55.03087	0.5
55.03403	0.5
57.03308	1.0
59.01247	6.9
59.28597	0.6
61.98694	0.8
67.93202	0.6
69.42921	4.9
71.01259	3.8
73.02785	1.2
81.03328	0.7
83.01228	1.5
84.58314	0.7
85.02821	1.4
88.10378	0.6
89.02295	2.3
93.03324	1.2
95.04897	1.4
97.02774	0.8
101.02303	2.7
108.01361	1.1
108.02054	12.8
108.42268	0.7
109.02169	1.0
109.02848	16.8
113.02313	0.7
117.03320	1.3
119.03399	0.8
119.04897	1.3
121.02835	1.5
122.03629	1.1
123.04415	24.1
123.25908	0.6
124.01563	3.2
124.04703	1.2
125.02328	4.2
130.78125	0.6
132.02005	0.8
133.02846	3.6
134.03589	0.8
137.02344	7.5
139.03873	1.8
145.02829	3.4
147.04382	3.9
149.02344	2.0
149.05923	0.8
150.03116	2.2
151.03929	11.7
159.04364	2.5
160.01561	3.0
161.02388	4.8
161.04443	0.9
161.05916	1.3
163.03922	1.8
165.01823	0.7
167.03377	0.8
175.03935	4.7
176.01030	1.7
177.01862	25.9
178.02188	1.1
179.03325	0.8
187.03952	2.4
187.26109	0.7
188.04683	1.3
189.01863	56.2
190.02628	12.4
191.03439	12.9
203.03400	4.9
203.07063	2.0
205.05023	1.5
215.03574	0.7
216.00594	8.4
217.01376	39.9
218.01955	3.4
219.02933	14.1
227.07220	0.8
231.02962	10.7
232.03499	1.6
233.04443	1.5
245.08110	2.5
251.50737	0.7
261.52347	0.8
271.03436	0.7
271.06079	3.8
281.04477	1.2
289.07199	9.5
297.04196	1.2
297.07410	1.3
298.04648	1.0
301.06912	1.2
313.07376	0.8
323.05453	1.9
333.13284	0.8
341.06653	100.0
342.06943	10.6
355.08148	8.4
356.08826	0.9
465.11902	38.5
465.17419	2.0
466.12219	7.0
479.22711	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	465.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.4
59.01253	11.6
61.01686	0.4
61.98703	1.5
64.24938	0.4
67.01765	0.4
68.31719	0.4
69.03323	1.5
70.83858	0.9
71.00645	0.4
71.01258	5.3
72.99179	0.5
73.02834	1.8
74.02396	0.4
75.00753	1.9
77.85943	0.4
81.03349	1.0
83.01268	1.5
85.02825	2.6
87.00733	0.7
89.02321	4.4
90.02660	0.6
91.02744	0.9
93.03329	1.2
95.01268	7.4
95.04909	1.0
97.02817	0.9
99.00764	1.3
101.02330	3.1
107.01305	0.6
108.02045	8.7
109.02840	10.8
110.03191	0.4
111.00779	0.8
113.02350	2.4
114.74801	0.4
119.03357	0.5
119.04916	1.5
121.02855	3.2
122.03622	1.3
123.00774	100.0
123.04406	21.1
124.01524	2.7
124.04778	0.7
125.02377	3.2
130.46098	0.5
131.03432	0.8
133.02859	2.7
134.03656	0.6
135.04434	1.2
136.01553	1.2
137.02351	19.5
137.05940	0.7
138.03133	49.2
139.00269	0.9
139.03981	2.4
145.02887	2.3
147.04417	2.0
148.01552	0.5
149.02370	3.6
149.04472	1.4
150.03137	1.6
151.00249	0.9
151.03925	6.5
152.01051	3.6
153.01839	1.8
153.05496	1.7
159.04445	1.1
160.01561	1.9
161.02412	3.1
161.04521	0.6
161.06042	0.7
162.03101	0.6
163.00237	0.5
163.03886	2.1
164.01106	0.5
165.01776	0.7
165.05635	0.5
166.02647	2.5
167.03412	47.6
168.03751	1.8
175.03957	2.9
176.01077	1.0
176.04436	0.5
177.01845	12.9
178.02602	2.1
179.03424	0.8
181.04980	10.9
185.00798	0.6
187.03938	1.1
188.04604	0.6
189.01857	28.7
190.02638	6.4
191.03450	7.4
191.05298	0.8
192.03813	0.5
193.04976	2.3
203.01888	0.5
203.03470	3.0
203.07045	1.0
204.03737	0.6
205.04958	1.0
209.04585	0.6
216.00598	4.7
217.01384	22.1
218.01979	2.7
219.02956	8.1
220.03183	0.5
231.02954	7.0
232.03551	0.6
233.04509	0.8
245.08008	1.0
253.10829	0.6
271.06067	1.7
281.04471	1.0
289.07184	5.6
290.07440	0.6
297.07852	0.5
298.04568	0.5
301.03268	0.8
301.07205	0.6
302.03214	1.0
303.04367	0.6
303.21722	1.9
311.07727	7.2
312.08362	0.6
313.07114	0.8
323.05573	0.8
326.04095	0.5
333.19363	0.8
341.06650	50.6
342.07028	5.8
355.08243	4.1
356.08325	0.6
447.07507	1.2
447.26294	0.4
450.12012	0.4
465.11688	21.2
465.26855	7.6
466.12073	3.8
466.27359	0.7
479.22852	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	465.1418
Annotation	Saccharumoside B
Peak:m/z	Relative Intensity
55.01752	0.3
57.03327	0.3
57.15917	0.2
58.00483	0.2
59.00958	0.2
59.01253	4.4
60.01603	0.2
61.98717	0.4
65.00214	0.3
67.01757	0.8
67.97074	0.2
68.99682	0.2
69.03345	0.2
71.01254	7.5
71.12811	0.2
71.34491	0.2
72.01596	0.2
72.99181	0.3
73.02820	1.3
81.03342	0.8
83.01244	1.1
85.02827	2.3
87.00779	0.5
89.02305	1.5
91.01762	1.1
93.03339	0.5
95.01293	1.4
95.04889	1.2
96.61732	0.2
96.99213	0.6
97.02840	0.4
99.00765	0.6
101.02324	4.1
105.03336	0.5
107.01254	1.5
108.02051	3.2
109.02837	0.9
111.00797	0.5
113.02334	2.6
114.21593	0.2
119.67838	0.2
121.02869	0.7
122.03610	1.5
123.00845	1.8
123.04412	100.0
124.01577	0.6
124.04752	3.8
125.02369	1.0
133.02835	0.3
136.01567	0.2
137.02364	0.4
143.03380	0.2
145.02873	0.4
147.48145	0.2
149.04381	0.4
150.03165	0.2
151.00269	4.8
151.03899	0.6
152.01070	7.1
153.02052	1.9
153.05484	83.8
154.05830	4.4
161.02342	0.6
161.04507	0.7
162.02979	0.4
165.05428	0.2
166.02620	1.0
167.03413	31.1
168.03766	1.6
179.03419	0.6
181.04985	0.8
191.05605	0.4
195.02956	0.9
209.04388	0.3
251.05426	0.5
255.03079	0.3
256.03091	0.4
257.03589	0.3
266.60437	0.2
271.02429	0.5
272.02762	0.8
273.03006	1.2
278.54648	0.2
296.02457	0.1
296.05371	4.4
297.05920	0.4
300.02863	1.1
301.03232	1.6
302.03409	2.8
303.03955	1.2
303.08786	0.5
311.07721	75.0
312.04379	0.4
312.08054	6.9
405.20975	0.3
409.10538	0.2
465.09238	1.7
465.13876	1.7
466.14856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64424	0.3
55.01754	0.4
57.03313	0.6
59.01249	5.6
60.45837	0.3
61.98697	1.4
66.06431	0.3
69.03346	0.3
69.20009	2.9
71.01255	12.7
72.01566	0.4
72.99178	0.6
73.02821	3.7
78.95748	0.3
83.01264	1.8
85.02820	5.5
87.00735	0.6
89.02327	1.1
93.03344	0.3
95.01241	0.9
96.95878	0.6
97.02830	0.6
99.00741	1.4
101.02325	6.7
107.04899	1.1
109.02837	0.8
113.02335	5.8
119.03374	0.4
121.02829	0.3
122.03623	5.3
123.04446	1.7
123.08024	0.4
125.02332	1.2
126.13628	0.3
129.01817	0.3
133.02803	0.4
134.03668	0.6
135.04420	21.9
136.05217	12.8
137.02379	2.1
137.06000	8.6
138.06320	0.4
143.03342	0.4
148.05232	4.3
149.05981	4.9
150.03212	0.5
150.06358	0.5
151.03935	1.7
154.02596	0.6
159.02907	1.2
159.04431	0.4
161.04472	6.8
162.06783	0.5
164.01093	0.6
165.01811	2.9
167.03365	0.7
173.05965	0.4
174.06772	1.1
174.90390	0.3
175.07521	2.1
176.08334	0.5
177.09122	0.8
179.03311	0.4
184.27293	0.3
189.09155	2.3
207.13901	0.6
229.12469	0.4
244.14688	7.9
245.15254	1.3
258.16229	1.4
259.17026	100.0
260.17368	10.4
263.16483	0.7
265.75247	0.4
273.14993	5.2
274.15390	0.5
280.63785	0.3
291.16061	2.5
302.03271	0.4
303.15970	0.8
341.10327	0.5
463.16440	0.4
465.09918	0.4
465.19376	1.9
465.26907	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49860	0.3
57.03325	0.9
58.00476	0.4
59.01254	100.0
60.01588	0.8
61.98706	0.4
69.65923	1.5
69.75561	0.2
71.01255	6.9
76.18652	0.3
85.02846	1.0
88.13521	0.3
89.02324	9.0
90.02673	0.3
101.02324	3.7
113.02343	2.7
119.03390	3.1
131.03415	0.3
140.67029	0.3
161.04482	0.6
167.10782	0.5
179.05565	1.8
282.18451	0.3
335.74875	0.3
351.47034	0.3
356.91400	0.3
405.21201	1.6
465.23972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40485	0.6
57.03331	0.7
59.01251	100.0
65.94280	0.7
70.92069	1.6
71.01258	6.0
83.22329	0.7
84.57692	0.7
84.73981	0.7
85.02836	0.9
85.48010	0.7
88.84887	0.7
89.02315	8.1
89.33669	0.6
96.40562	0.7
101.02321	3.9
113.02335	2.5
117.16753	0.7
119.03397	3.6
121.13577	0.6
124.84969	0.8
131.03351	0.7
161.04475	1.1
179.05510	2.1
393.32697	0.7
405.21545	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00379	1.3
52.36443	1.2
55.01755	2.1
57.02465	1.1
57.03318	2.0
59.01250	100.0
60.01577	2.4
61.98701	4.3
69.59683	5.5
71.01254	34.6
72.99179	3.4
73.02814	8.3
75.00751	3.6
83.01264	5.5
85.02818	14.0
87.00753	5.3
89.02316	21.2
93.03320	2.1
95.01263	1.6
99.00757	3.1
101.02324	22.9
102.02623	1.4
109.02846	4.6
111.00755	3.1
113.02322	15.0
114.98733	1.2
118.53468	1.3
119.03432	6.6
119.04910	2.5
122.03644	1.5
123.00750	2.6
123.04411	37.6
124.01550	5.0
124.04736	2.0
125.02364	10.4
125.09657	1.5
129.01874	2.2
131.03386	3.6
133.02895	2.8
137.02380	3.1
139.00253	1.6
139.03938	7.5
145.02815	2.7
149.02318	2.0
149.04492	3.0
150.03171	1.6
151.00346	1.8
153.01915	1.6
153.05481	28.4
159.04480	1.3
161.02347	6.1
161.04375	6.4
165.05403	1.6
167.03421	9.7
177.01843	12.3
179.03331	2.0
179.05524	3.5
182.56543	1.2
189.01797	2.7
191.03433	3.2
191.05530	1.5
215.03561	2.2
217.01366	3.6
217.39372	1.4
218.01289	1.2
225.14873	1.3
239.03410	1.3
243.03001	2.7
255.02919	2.2
257.03610	1.5
271.02524	4.4
272.02917	3.0
273.03067	4.6
282.01746	2.6
283.02469	1.8
285.20697	2.7
292.71747	1.4
295.02481	6.6
296.03131	5.2
297.03943	2.7
300.02878	6.0
301.03326	6.7
302.03342	9.6
303.04028	3.7
303.13519	2.3
303.21768	9.0
311.07617	2.1
315.01306	2.2
323.02036	2.0
333.19125	7.2
339.04993	3.4
341.06735	1.4
346.44089	1.6
354.83813	1.3
379.07648	1.6
380.32837	1.3
404.24554	1.3
405.21158	4.1
430.94278	1.6
447.07211	25.3
448.07492	4.5
460.39420	1.5
465.08936	12.2
465.27454	37.9
466.09070	2.1
466.27371	5.8
486.52225	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	465.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74661	0.5
55.01758	2.0
57.03316	2.2
58.00469	1.1
59.01254	68.3
60.01591	1.8
61.01675	0.7
61.98707	11.3
69.03333	2.3
69.43022	3.3
71.01257	21.6
72.01606	1.0
72.99182	1.6
73.02820	8.3
75.00749	2.4
79.51511	0.6
79.55381	0.5
81.03316	0.7
83.01259	5.3
84.01592	0.5
85.02829	10.5
87.00756	1.9
87.02622	1.0
89.02316	12.3
90.02657	1.5
91.02737	1.3
93.03339	1.4
95.01269	7.3
97.02840	0.8
97.51193	0.5
98.19793	1.1
99.00767	5.0
100.01083	0.6
101.02328	16.7
102.02637	1.2
103.02703	0.7
107.01254	1.0
108.02059	2.4
109.02857	3.1
111.00765	1.6
113.02339	7.7
119.03369	1.9
119.04945	0.8
121.02862	2.6
122.03705	0.7
123.00775	77.7
123.04399	8.9
124.01003	1.6
124.01543	2.3
125.02317	2.7
131.03442	2.0
133.02870	1.0
136.01585	1.1
137.02353	10.6
137.05959	2.6
138.03133	36.8
139.00322	0.7
139.03957	3.9
145.02852	1.6
149.02373	2.4
149.04482	4.6
150.03110	0.7
150.04826	2.0
151.00290	2.1
151.03897	3.2
151.04939	1.4
152.01054	1.9
153.00781	0.6
153.01895	0.9
153.05499	1.5
159.02893	1.1
160.01526	0.9
161.02347	0.8
161.04510	3.5
163.03896	1.8
166.02663	1.5
167.03423	29.8
168.03783	1.3
175.03915	1.3
177.01888	3.0
178.02626	0.6
178.99783	0.7
181.04997	9.6
182.05338	1.3
185.00819	1.0
189.01849	4.7
190.02611	1.1
191.03448	1.5
191.05571	0.9
193.05017	2.0
203.03389	0.6
211.57149	0.5
216.00674	0.9
217.01434	2.9
219.02951	1.2
231.02979	1.3
239.05449	0.8
243.19597	0.8
245.08266	0.7
289.07217	2.1
300.02841	0.7
301.03448	1.9
302.03726	2.3
303.03992	4.0
303.21811	2.6
311.07681	6.5
312.07980	0.8
333.18796	0.7
341.06577	8.6
342.07028	1.1
355.08304	0.8
405.25015	3.2
436.09744	0.6
447.07294	1.6
447.25818	4.8
448.26712	1.1
465.10654	3.2
465.13461	3.9
465.27023	100.0
466.13303	0.8
466.27432	17.4
479.22946	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.0
57.03318	2.5
58.00459	1.2
59.01252	69.0
60.01589	1.6
61.01652	0.5
61.98705	16.3
63.02281	0.5
65.00202	0.7
67.01768	0.4
68.99686	0.5
69.03336	0.9
71.01254	19.9
72.01611	0.8
72.99184	1.5
73.01675	0.5
73.02823	7.1
75.00757	2.0
81.03331	0.7
83.01270	4.5
85.02820	10.9
85.03285	0.8
85.99979	0.8
87.00764	2.1
87.02609	1.9
89.02316	9.6
89.02837	0.9
90.02673	1.5
91.02757	0.9
93.03360	1.4
95.01267	5.8
97.02854	0.5
99.00748	4.4
99.04401	1.0
99.79391	0.5
100.01065	0.9
101.02325	17.5
101.05968	0.7
102.02669	1.2
107.01269	0.9
107.04906	0.7
108.02070	1.2
109.02853	3.1
111.00774	1.5
113.02335	7.5
117.03338	0.6
119.03370	1.5
119.04931	1.0
121.02848	1.7
123.00770	41.7
123.04412	5.1
124.01644	3.7
125.02329	2.5
129.01776	0.5
131.03343	0.9
132.03699	0.6
133.02785	0.6
137.02338	5.5
137.05975	4.3
138.02039	0.8
138.03127	19.1
139.00330	0.4
139.03970	3.5
139.07552	0.7
143.03377	0.8
145.02852	0.6
147.04472	0.7
149.02380	2.1
149.04480	2.9
150.03043	0.6
150.04814	1.1
151.00293	3.2
151.03911	3.4
151.04955	1.1
152.00978	2.0
153.00720	1.1
153.01855	1.1
153.05463	1.1
159.02969	1.0
160.01575	0.9
161.02328	2.3
161.04456	3.4
163.03888	1.4
166.02574	0.9
167.03418	17.6
168.03766	1.2
175.03979	1.0
177.01840	2.4
178.99866	1.5
179.05614	0.5
181.00330	1.0
181.04982	5.3
189.01852	2.8
190.02570	0.7
191.03473	1.2
191.05548	1.2
192.05908	0.6
193.04959	1.1
205.01343	0.5
209.04605	0.6
216.00607	0.6
217.01454	2.2
219.03003	0.6
231.03017	0.6
243.19673	0.7
252.20982	0.5
256.03336	0.7
271.02557	0.7
273.03049	0.5
285.20776	0.9
289.07272	3.4
290.07581	0.6
300.02637	0.5
301.03442	2.8
302.03641	3.2
303.04059	6.3
303.21844	1.6
311.07684	3.2
337.09412	0.5
341.06671	3.5
378.93909	0.5
405.25186	2.7
447.07352	2.1
447.25992	4.1
448.07626	0.7
448.26807	0.6
465.08658	3.9
465.27020	100.0
466.09705	0.7
466.27313	15.3
479.22687	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.322
Annotation	tetraHCA
Peak:m/z	Relative Intensity
59.01257	13.5
62.06511	1.4
68.18427	1.5
69.88992	7.0
71.01240	2.0
85.74541	1.3
98.20472	1.9
109.02858	1.4
116.64076	1.4
128.74309	1.4
137.23863	1.5
262.67264	1.3
299.95255	2.0
357.31635	10.6
359.33209	14.6
360.33765	2.7
403.32153	100.0
404.32532	15.2
447.31244	4.4
465.32220	75.9
466.32626	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	465.3222
Annotation	tetraHCA
Peak:m/z	Relative Intensity
55.01541	1.2
55.01826	12.5
57.03366	0.6
59.01325	7.5
59.58844	0.5
59.63755	0.6
71.01344	9.4
71.04978	2.6
83.05007	2.2
85.02904	0.5
89.02427	0.9
94.61719	0.5
96.95975	1.1
99.89887	0.5
99.90516	0.6
101.25691	0.5
109.06577	1.9
137.06079	0.6
144.35815	0.7
147.08131	0.6
179.56866	0.6
222.06487	0.6
261.22348	1.6
291.26932	2.8
329.28647	2.1
331.30063	71.3
332.30453	10.2
343.30200	1.2
349.31125	1.1
355.29651	0.8
357.31699	5.2
358.31958	0.9
359.28809	0.9
359.33194	15.5
360.33655	1.9
375.29041	56.6
376.29367	9.4
377.34241	10.1
378.34720	1.9
385.31519	0.6
403.32153	30.9
404.32550	5.2
421.33075	4.6
447.31155	87.9
448.31555	14.9
465.32184	100.0
466.32495	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	467.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.5
59.01255	9.2
70.10715	3.8
71.01249	5.5
83.01225	1.6
85.02824	21.3
87.00775	1.8
89.02315	3.2
93.03328	9.2
99.00764	1.7
101.02338	3.9
105.07890	1.2
113.02385	2.3
123.04416	4.1
124.01579	2.1
125.02314	6.6
133.02824	1.4
134.03645	1.9
135.04408	2.3
137.02339	3.5
139.03923	3.0
142.56039	1.2
142.80060	1.4
147.02933	2.7
153.05481	3.4
160.01561	2.7
160.66061	1.2
161.02335	1.6
161.04500	1.4
163.00218	2.0
173.04424	4.6
173.25391	1.5
175.03928	4.5
177.01859	1.7
179.03357	2.9
185.05989	2.8
187.03918	3.0
189.01797	1.4
191.01875	5.5
191.05650	3.2
227.03458	33.2
229.05008	6.4
255.02980	50.7
256.03476	5.6
257.04541	5.2
267.03012	1.5
284.03244	60.6
285.04025	79.1
286.04517	6.8
341.06519	1.6
371.97079	1.4
431.09830	100.0
432.10150	14.0
449.14529	2.2
467.19412	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	467.0986
Annotation	Epigallocatechin 3-O-caffeate
Peak:m/z	Relative Intensity
52.34229	1.6
57.03321	3.2
59.01256	16.7
61.98691	3.4
66.88978	1.3
69.03352	1.6
69.52328	3.5
69.52744	6.2
71.01256	12.0
73.02805	3.9
73.47856	1.3
74.96099	1.4
81.03331	1.7
83.01256	4.1
85.02840	11.9
87.00758	2.9
89.02303	8.8
91.01758	1.7
93.03333	6.6
95.01278	2.6
95.04908	3.2
97.02842	1.8
99.00764	4.5
101.02299	5.8
108.02035	3.4
109.02130	2.5
109.02840	41.8
109.03587	2.2
110.03136	2.3
111.00759	4.6
113.02308	4.3
117.03313	2.2
118.96668	1.4
119.04888	3.5
121.02861	8.7
123.00745	3.8
123.04414	20.0
124.01570	3.5
125.02351	35.8
133.02853	16.0
134.03633	3.5
135.00722	1.9
135.04414	10.3
136.01538	3.3
137.02356	32.7
138.03011	3.0
139.00250	7.9
139.03951	11.1
140.01059	8.8
141.00119	1.7
142.55930	1.5
145.02893	8.9
147.04399	4.2
149.02324	7.4
149.05946	1.9
150.03053	3.0
151.03922	39.8
153.01846	7.8
155.03358	6.0
159.04401	4.6
161.02353	52.9
161.04367	2.8
162.03049	3.5
163.00305	6.7
163.03949	8.3
164.01036	3.7
164.04164	1.4
165.01810	6.2
166.02628	7.1
167.03357	6.6
173.04468	3.1
173.05922	1.6
174.46536	1.4
175.00371	1.7
175.02495	1.4
175.03903	5.1
176.01086	2.0
177.01855	51.8
178.02255	3.8
179.03401	7.3
181.04813	1.7
183.02989	1.4
187.03966	1.9
188.04613	1.7
189.01862	52.9
190.02544	11.8
190.99800	25.3
191.01729	2.5
191.03496	17.7
191.05368	3.4
192.00549	22.5
193.01337	16.1
194.01723	1.7
195.02904	2.9
201.01846	4.0
203.03438	8.5
205.01396	12.3
205.04956	4.7
206.02023	4.0
207.02777	2.4
213.05507	1.7
216.00574	9.4
217.01389	33.8
218.01768	4.0
219.02924	19.5
227.03526	2.7
231.02954	9.9
233.00922	2.8
233.04410	7.3
239.05554	2.1
241.04825	2.0
243.02867	2.2
245.08086	2.2
247.02370	3.4
253.05014	2.9
255.02948	4.8
256.03699	2.6
257.04483	4.5
269.04602	3.9
269.08185	1.8
271.05951	2.4
275.14978	2.6
281.04660	2.9
283.02521	2.4
285.03992	2.3
287.05463	8.3
289.07175	18.9
299.05530	6.3
299.08926	2.0
301.03488	10.8
303.04730	1.4
305.06665	23.8
306.06885	1.8
311.07608	2.6
313.07092	8.7
315.05051	11.9
316.05185	1.7
321.04086	3.0
327.05038	2.2
329.07031	2.2
335.20602	2.3
339.04984	9.8
341.06653	48.4
342.06863	6.6
346.08392	2.3
357.06161	100.0
358.06439	12.3
361.10538	1.7
374.08044	8.0
389.10352	24.3
404.12775	10.9
405.09491	2.5
407.07666	14.2
407.18988	5.5
419.09720	2.6
419.15042	47.7
420.15320	6.4
423.10596	8.5
449.08514	6.3
450.08688	1.6
467.09686	48.6
467.19943	6.8
467.24765	3.5
468.10025	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52465	0.9
55.01745	2.2
57.03326	22.7
58.00460	1.1
59.01252	14.6
60.38714	0.8
61.98698	4.5
67.01749	1.4
69.03305	1.6
70.83869	2.1
71.01252	30.9
72.99188	1.5
73.02815	9.3
75.00738	1.4
81.03338	1.4
83.01255	8.1
83.41630	1.1
84.02029	1.6
85.02824	38.8
87.00742	3.0
89.02324	5.9
90.77608	0.8
93.03342	8.7
95.01264	5.7
96.95891	0.8
97.02813	2.8
98.02323	0.9
99.00774	4.2
101.02330	21.1
108.02045	1.5
109.02823	1.6
111.00743	7.4
113.02346	14.4
119.03408	1.3
121.02797	1.3
123.00771	47.9
123.04424	5.2
124.01558	100.0
125.02293	8.5
129.01831	3.6
131.03400	2.8
132.02168	1.3
133.02824	2.6
134.03622	2.7
135.04445	2.0
137.02336	6.7
137.99477	1.8
138.03131	6.4
138.51337	0.9
139.00276	14.6
139.03911	80.3
139.07492	2.1
140.04219	3.6
143.03351	3.5
145.02869	2.8
147.02876	4.0
147.04468	1.1
149.02202	1.1
151.03909	1.0
152.01024	1.1
153.01808	2.6
153.05441	4.6
159.02934	2.2
160.01564	2.8
161.02345	4.0
161.04463	26.3
173.04510	5.7
175.03918	2.8
177.01848	2.2
178.02629	1.3
179.03424	2.7
183.10191	54.9
184.10489	3.1
191.01936	7.8
191.05548	6.2
205.03534	1.4
209.02892	1.1
251.44754	0.9
275.14966	5.5
283.08304	1.0
301.09308	2.5
327.14447	1.9
335.20743	1.7
389.10495	1.1
407.19315	1.2
419.14890	1.2
449.14087	1.7
467.14346	3.1
467.19232	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	467.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.3
57.03327	21.2
59.01250	16.9
61.98698	4.9
65.91298	0.9
67.01776	0.9
69.03345	1.6
70.83768	1.3
70.84107	1.5
71.01253	29.5
72.99214	0.9
73.02818	8.6
75.00745	1.5
75.13808	0.9
81.03331	1.8
83.01266	6.1
85.02822	19.1
87.00748	2.4
87.04342	0.9
89.02321	6.1
89.40508	0.8
93.03329	6.8
95.01263	5.5
96.58429	0.7
96.95901	0.9
99.00762	4.6
101.02325	22.1
108.02049	1.7
109.02829	1.9
109.82442	0.8
111.00769	7.3
111.04457	0.9
113.01536	0.9
113.02333	16.2
119.03354	1.1
119.04976	1.3
121.02868	1.7
123.00771	48.0
123.04420	3.0
124.01562	100.0
125.02411	10.6
125.05968	1.6
126.02737	1.0
129.01802	1.7
131.03362	4.7
133.02858	2.0
134.03587	2.3
135.04391	1.8
137.02359	5.6
138.03143	6.7
139.00288	19.5
139.03912	89.6
139.11313	1.1
140.04256	3.8
141.01872	0.8
143.03397	3.2
145.02834	2.8
147.02939	1.3
149.02364	1.9
149.04482	1.4
151.10185	0.8
153.01808	3.3
153.04410	0.9
153.05507	3.9
159.02930	2.2
160.01538	3.4
161.02493	4.7
161.04472	30.4
161.05823	1.7
162.04854	1.5
163.03963	1.3
165.05544	1.0
173.04477	2.7
175.03954	3.2
177.01842	1.8
178.02672	1.5
179.03441	1.4
181.01286	0.9
181.05101	1.3
183.10197	66.3
184.10555	3.9
191.01982	2.5
191.05544	3.9
205.03566	1.3
275.14975	6.4
283.08359	1.2
289.06943	1.2
301.09311	2.5
327.14523	2.0
335.20517	2.1
343.07443	1.1
378.28955	0.9
407.18988	1.5
419.14771	1.3
467.20132	9.0
468.18640	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	467.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.9
59.01257	2.4
60.99197	0.2
61.17276	0.2
61.98705	2.0
62.02713	0.2
62.28558	0.2
63.02272	0.9
63.52362	0.2
63.93789	0.2
67.01763	0.6
69.03313	1.0
70.31193	0.6
71.01248	2.3
71.04927	0.4
73.02815	0.4
80.15414	0.2
85.02834	2.9
87.00755	0.9
89.02313	0.5
93.03339	3.5
95.01268	0.3
95.04899	0.4
97.02840	0.7
99.00762	0.3
101.02333	1.9
102.52288	0.2
111.00798	0.2
111.04411	0.6
113.02337	1.0
116.48087	0.2
119.04940	0.6
121.02840	0.3
123.04436	0.2
124.01558	48.4
125.01810	1.5
129.01884	0.3
133.02864	0.3
134.03650	0.5
135.04425	1.0
137.02367	0.6
139.03912	100.0
139.11179	4.1
140.04250	4.1
140.11511	0.3
143.03423	0.5
145.02884	0.5
149.66615	0.2
151.03969	0.5
151.22395	0.2
161.04503	1.4
163.03897	0.7
173.04469	1.9
173.07074	0.2
177.01628	0.2
178.02583	0.4
179.03453	0.5
183.10187	12.9
184.10567	0.8
191.01927	0.7
191.05534	1.4
192.70361	0.2
206.15793	0.2
283.08301	0.6
301.09293	0.3
305.17590	1.2
324.68683	0.2
356.94318	0.2
449.14651	2.2
450.15314	0.3
454.97025	0.2
467.15576	0.7
468.16989	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43209	0.2
57.03332	3.0
59.01255	2.7
61.98705	1.3
63.02266	0.7
67.01781	0.4
71.01254	2.2
73.02835	0.7
80.78831	0.2
83.01241	0.3
85.02826	2.3
87.00760	0.5
89.02337	0.7
93.03338	2.2
97.02817	0.6
98.20593	0.4
99.00761	0.5
99.32836	0.2
101.02319	1.8
102.98870	0.2
108.02078	0.3
109.02832	1.1
111.00779	0.4
113.02350	1.3
117.03352	0.3
119.01936	0.2
119.03407	0.2
119.04928	0.8
123.04447	1.0
124.01561	45.6
125.01820	1.4
125.05961	0.3
131.03387	0.2
134.03604	0.5
135.03116	0.2
135.04446	0.6
137.02357	1.4
138.02667	0.2
139.03917	100.0
140.04253	4.9
145.02861	1.0
151.03932	0.6
153.01805	0.3
153.05482	0.4
159.02895	0.2
159.06509	0.2
160.01546	0.8
161.02321	0.8
161.04526	1.8
163.03931	1.2
165.01939	0.2
167.03389	0.3
173.04483	1.3
175.03911	1.0
177.01855	0.8
178.02428	0.2
179.03497	0.3
181.05043	0.3
183.06686	0.3
183.10188	7.9
184.10603	0.5
189.01883	0.7
190.02357	0.5
191.01947	0.4
191.05542	1.1
193.04993	0.3
209.02901	0.2
217.01346	0.5
218.01703	0.3
229.27707	0.3
252.13377	0.2
276.73315	0.2
283.08389	0.4
301.09314	0.4
327.14532	0.5
341.06915	0.4
342.06989	0.6
343.07211	0.9
357.06012	0.5
407.26038	0.3
449.14371	0.5
467.13565	0.3
467.19037	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	467.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	5.4
59.01249	6.7
61.98700	3.1
63.02277	0.8
66.01656	0.5
66.26526	0.4
67.01759	1.1
71.01250	4.5
71.55250	0.6
73.02815	0.7
81.03343	0.8
83.01260	0.8
83.90164	0.4
85.02813	2.2
87.00755	1.4
89.02313	1.9
93.03335	7.8
94.44928	0.4
101.02327	2.0
107.42185	0.4
107.69276	0.4
109.02843	2.1
111.00799	0.9
111.04419	1.0
113.02324	1.7
117.03368	2.7
123.04431	4.1
124.01555	44.2
125.01841	0.7
125.02386	0.5
133.02852	0.6
134.03629	1.6
135.04405	1.6
137.02339	3.3
139.03914	100.0
139.11186	1.6
140.04234	3.9
145.02861	16.3
146.03236	0.6
151.03949	0.7
153.01845	2.0
153.05496	1.5
160.01581	1.4
161.02371	0.6
161.04492	1.9
163.03966	1.0
167.03424	6.5
173.04543	3.9
173.05920	0.8
175.03967	0.8
177.01848	1.0
179.03409	1.0
181.04948	0.5
183.10193	19.7
183.11829	1.0
184.10603	1.1
191.01904	0.5
191.03462	1.4
191.05563	2.6
195.02968	0.9
255.05138	0.7
283.08249	0.9
289.07315	0.7
321.15530	1.2
407.26331	0.6
408.85596	0.4
449.14502	3.9
467.19992	6.8
468.20044	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	467.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.0
57.03322	2.5
58.00476	1.0
59.01254	54.9
61.98714	2.8
69.64500	3.0
71.01257	33.6
72.01600	0.7
72.99186	1.5
73.02826	14.1
73.16158	0.6
79.26914	0.5
81.03360	0.5
83.01262	9.6
85.02828	17.7
87.00745	1.9
89.02332	3.8
93.03323	1.3
95.01264	1.8
97.02826	1.5
98.20527	0.9
99.00751	6.6
99.08038	0.6
101.02327	34.7
102.02676	1.5
103.03867	1.1
109.02856	1.5
111.00771	1.2
113.02332	14.7
113.55959	0.6
119.03400	1.1
123.04444	0.8
124.01604	0.9
125.02334	3.7
129.01836	1.3
134.03653	0.9
135.04393	0.8
135.19026	0.5
137.02322	1.4
139.00273	1.1
139.03949	0.6
143.03442	1.3
143.70694	0.5
153.01796	0.6
154.02650	0.8
159.02895	3.0
161.02417	0.8
161.04471	14.8
162.04776	0.6
165.01749	0.6
169.01328	0.5
173.04486	0.7
176.74814	0.6
177.01772	0.6
179.03433	0.7
183.02948	1.0
184.03436	0.6
191.05563	3.8
196.71564	0.5
205.03477	1.0
209.72983	0.6
247.06050	0.6
261.13434	60.5
262.13791	4.5
285.07654	0.7
305.12253	0.8
407.19232	100.0
408.19601	12.1
467.11856	1.9
467.29126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	31.1
61.98702	100.0
70.74003	29.9
92.05432	12.6
135.96158	12.0
214.84319	11.8
221.01746	11.8
342.02414	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	467.2438
Annotation	Withametelin K
Peak:m/z	Relative Intensity
54.94100	5.6
59.01252	15.5
68.99689	14.8
70.72841	16.3
78.95766	7.2
88.24179	7.3
93.03313	5.9
96.95863	11.6
107.21662	6.1
108.02048	10.2
109.02827	9.5
119.25385	5.9
121.02820	13.6
123.04418	11.4
124.01533	14.1
124.24417	6.8
125.06034	7.3
135.04433	9.1
136.01610	7.2
137.02330	20.6
145.02919	6.4
147.04419	8.2
148.05171	8.6
149.02354	18.9
149.06041	7.7
152.01109	14.0
159.04489	9.3
161.05959	17.3
163.07536	7.1
164.04723	14.1
165.01843	20.3
174.06738	7.4
175.03929	9.5
175.07533	8.0
185.06003	12.4
187.04120	6.6
189.05551	7.5
191.07120	13.8
201.05403	8.8
203.07082	10.5
207.13850	11.8
213.05530	7.9
218.86386	7.2
229.08629	42.9
243.13690	6.2
259.13348	8.7
260.14169	11.6
261.14920	25.6
289.14514	37.6
297.07791	11.0
301.18051	9.7
304.99753	6.1
312.10092	12.7
313.10794	17.4
326.11652	13.5
337.14590	7.3
347.12494	8.5
365.13782	15.5
375.19641	11.3
380.16241	18.9
390.21823	8.9
421.23785	18.9
423.25592	9.5
435.25604	8.5
449.23264	93.0
450.23483	18.9
467.24307	100.0
467.30560	10.3
468.24155	10.0
482.63824	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	468.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	15.2
60.01599	2.0
61.01682	2.2
61.98705	100.0
64.46351	0.6
66.10249	0.6
66.81930	0.6
70.45274	2.2
71.01259	1.8
75.90897	0.7
77.59927	0.7
89.02327	1.9
98.84556	0.9
109.02831	1.9
123.04494	0.9
125.02335	0.9
135.04443	2.5
137.02361	2.6
142.77696	0.7
151.03941	1.1
163.03920	1.6
164.01056	1.0
165.01837	9.1
165.05284	0.8
179.03439	2.6
180.04198	6.9
195.06596	10.0
203.07028	1.2
205.04996	1.1
225.07747	3.4
245.08192	1.5
289.07199	8.7
315.08792	2.6
315.12424	0.8
361.12656	1.0
404.48538	0.7
421.15155	1.3
469.18283	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	468.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81594	1.3
54.46318	1.2
59.01245	4.6
61.98705	100.0
65.94318	1.2
69.68932	6.0
71.01234	3.8
72.97109	1.2
77.48019	1.2
83.61743	1.2
85.02840	1.4
89.02326	2.4
101.02293	1.8
113.02362	1.3
138.01866	4.2
149.10637	1.4
191.05518	2.4
206.01694	1.3
214.05428	1.4
285.03214	1.3
465.97644	1.3
469.17325	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	469.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57396	1.7
55.01750	6.4
57.03317	8.3
59.01252	15.1
60.99176	2.2
61.00867	2.2
68.99680	9.5
69.44201	12.4
69.44592	3.0
71.00890	3.5
71.01253	37.5
72.01591	1.9
72.99178	21.1
73.02802	3.8
75.00739	10.5
75.02442	5.6
83.01263	23.1
84.99134	2.9
85.00902	6.6
85.02818	7.8
87.00759	9.5
88.98658	5.7
89.02316	2.3
89.04064	1.9
96.95904	11.6
96.99192	2.4
98.20559	2.8
99.00764	36.5
100.98685	3.0
101.02330	5.4
103.00238	3.8
111.00774	37.1
112.98695	100.0
114.98336	4.1
115.00266	14.0
115.01996	4.0
117.01837	12.5
122.09885	2.0
124.98704	2.8
127.00251	3.2
127.38676	2.2
129.01831	15.1
142.99754	19.1
143.01483	6.7
143.03389	4.4
145.00168	4.5
145.01332	91.8
145.03038	4.1
146.01614	3.0
154.99808	3.8
157.01326	6.3
159.02873	3.0
171.00963	13.6
173.00835	24.5
187.02357	2.8
203.03658	3.7
205.03516	10.5
217.05249	2.4
231.03146	15.3
239.10251	2.3
245.04694	2.8
254.74370	2.1
263.05786	56.0
264.06128	3.7
326.84601	2.2
333.06497	3.6
365.08972	5.8
377.05276	2.6
391.06894	4.1
393.08731	3.3
409.08139	4.0
424.38629	2.1
451.09021	11.9
469.10052	93.1
470.10196	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	469.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26893	1.8
57.43684	1.6
59.01254	6.1
61.98708	19.9
69.74140	2.0
71.01254	3.1
71.53243	3.2
72.87401	2.3
75.00726	1.9
89.02354	2.2
103.57108	1.9
104.62907	1.9
109.02833	5.2
118.13574	2.4
120.99540	3.4
123.04422	2.6
125.02338	3.7
135.04439	8.3
137.02327	18.3
148.97044	1.8
151.03963	4.8
165.01849	96.8
166.02180	5.6
179.03395	18.9
180.04211	46.1
194.05779	2.5
195.06573	100.0
196.06902	6.6
210.05316	8.0
225.07668	31.9
226.08081	3.0
238.84436	2.0
243.08644	2.9
245.08325	2.0
289.07153	19.0
290.07474	3.3
315.08743	4.5
361.12964	6.5
421.15143	15.2
422.15533	2.5
469.17609	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.9
55.88741	0.6
57.03312	2.7
58.00467	1.4
59.01252	59.4
60.01590	0.7
61.98706	10.3
66.51687	0.7
69.03332	1.2
71.01256	34.4
71.54195	1.2
72.99171	2.2
73.02821	17.0
75.00767	1.7
81.03314	1.2
83.00809	0.9
83.01263	14.0
85.02825	20.2
85.99952	0.9
87.00756	2.6
89.02309	7.3
91.98644	0.7
93.03337	2.9
94.03690	0.9
95.01258	2.5
97.02816	3.5
99.00770	6.0
101.02325	44.1
102.02684	1.0
103.03920	0.9
108.02050	1.8
109.02843	4.8
109.06512	0.8
111.00782	1.7
113.02335	13.9
113.99451	1.0
114.02725	0.9
116.12315	0.7
117.03345	1.4
119.03413	1.5
119.04923	1.9
121.02824	1.8
123.00787	1.6
123.04416	14.2
125.02351	5.3
127.07522	2.4
129.01802	1.2
131.03397	0.8
135.04407	1.1
137.02348	9.4
138.02658	1.0
139.00237	0.9
139.03886	1.9
140.01028	0.9
141.01855	5.2
141.02763	0.9
143.03389	1.8
145.02841	6.8
147.00841	1.4
149.02344	2.7
151.03947	2.3
153.05478	12.9
159.02914	3.6
159.04231	0.9
160.01527	1.0
161.02399	1.2
161.04489	12.0
161.05881	1.7
163.03941	4.1
163.05975	1.8
164.04707	0.9
165.01866	2.5
171.06528	2.3
175.00336	2.1
175.03975	2.2
177.05530	1.4
178.18178	0.8
179.03418	3.1
181.04961	0.9
190.02643	6.2
191.03267	0.9
201.05406	0.7
203.07069	2.5
205.03346	1.0
205.05051	9.8
220.22742	0.7
223.06068	1.1
229.07143	1.5
235.05971	1.0
237.07649	0.9
245.08148	3.1
247.06116	1.3
255.08890	1.0
263.14984	88.1
264.15359	6.2
289.07205	18.9
290.07629	2.1
304.10507	0.7
307.13882	0.9
315.10934	2.5
323.13504	2.6
327.09106	1.0
345.09750	2.9
409.20786	100.0
410.21060	12.1
433.24063	0.8
451.14301	1.4
469.15585	8.6
469.21317	5.1
470.17282	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	471.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55394	0.5
52.86082	0.5
59.01250	5.9
61.98695	0.8
62.44725	0.4
65.75977	0.4
67.62926	0.4
69.42488	1.1
69.42896	1.7
69.63449	0.5
71.01255	4.1
73.02825	1.3
73.39243	0.5
77.52700	0.4
85.02829	1.3
89.02316	1.9
93.03356	0.7
95.01260	0.7
98.19793	0.9
101.02320	2.2
103.03929	0.7
113.02342	1.3
117.03352	19.5
118.03708	1.0
119.04915	100.0
120.05252	4.4
121.02805	0.5
123.04379	0.6
125.02330	1.1
134.03629	1.0
135.04433	1.7
138.01878	0.5
145.02852	58.6
146.03169	3.0
148.05205	4.0
153.05492	0.7
161.04610	0.7
161.05945	0.6
163.03917	78.4
163.07486	2.2
164.04237	3.9
178.97266	0.5
205.05051	1.2
228.02173	0.5
237.35733	0.5
304.93118	0.4
307.08240	29.5
308.08405	2.5
423.37289	0.5
471.12943	15.1
471.19205	1.0
472.13336	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	471.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.3
57.03312	0.3
59.01251	3.7
61.98704	1.6
69.74491	1.4
71.01252	2.9
73.02823	1.0
83.01271	0.8
84.11486	0.3
85.02814	1.6
89.02340	0.9
93.03323	1.0
95.01272	0.5
97.02831	0.3
99.00756	0.5
101.02308	2.3
113.02351	1.5
113.39476	0.3
117.03348	13.4
118.03709	0.4
119.04919	100.0
120.05253	4.6
121.02869	0.8
123.04421	1.5
125.02421	0.3
133.06494	0.3
137.02386	0.4
143.03352	0.3
145.02858	62.0
146.03203	3.0
147.08043	0.3
148.05157	0.3
153.05475	1.9
156.72870	0.2
158.03603	0.3
161.04469	0.7
161.06015	0.7
163.03923	57.3
164.04276	2.7
165.01880	0.3
165.05432	1.3
175.03940	0.3
179.05727	0.3
187.03964	0.9
190.02657	0.6
205.04997	1.7
225.07663	1.5
247.06134	0.9
249.14961	0.6
265.07364	0.4
307.08228	42.3
308.08563	3.7
309.13339	0.7
338.11661	0.4
353.14059	0.6
471.12946	15.5
471.18668	1.3
472.13232	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	471.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.6
57.03316	0.3
58.00462	0.5
58.95957	0.1
59.01251	9.1
60.01609	0.2
60.40675	0.1
70.28167	0.2
71.01254	8.4
72.99189	0.7
73.02822	3.0
75.00748	0.3
81.03335	0.2
83.01257	1.1
85.02820	4.5
85.99985	0.4
87.00752	1.8
87.04399	0.7
89.02316	2.4
95.01283	0.5
97.02821	0.4
99.00773	0.8
101.02325	7.1
103.03910	1.4
113.02333	5.0
114.02605	0.2
115.03903	0.8
119.03403	0.7
121.06564	0.2
125.02346	0.4
127.03860	0.2
131.03392	1.4
143.03397	3.3
145.04993	0.3
148.05202	100.0
149.05530	5.3
149.61221	0.2
155.41798	0.2
159.02890	0.5
161.04471	5.2
161.05824	0.3
162.04796	0.3
163.07553	85.6
164.07887	5.2
203.05602	0.3
205.05261	0.3
205.07132	3.1
307.10388	0.6
325.12857	0.7
364.28381	0.2
432.60635	0.2
471.18671	6.5
472.19318	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.3
57.03335	1.3
58.00485	1.0
59.01254	17.9
60.01586	0.3
60.75521	0.4
61.97221	0.3
61.98702	3.8
61.98951	0.3
69.03354	0.9
71.01257	27.6
71.55002	0.6
72.99194	1.7
73.02822	8.9
75.00748	0.4
81.03341	0.3
83.01257	3.6
85.02828	12.1
85.99996	0.7
87.00755	3.9
87.04394	1.4
89.02320	5.7
93.03359	0.7
95.01259	3.2
96.95914	0.4
97.02863	0.9
99.00774	3.1
99.04425	0.5
101.02326	17.5
103.03902	2.6
106.86153	0.3
109.02901	0.5
111.00805	0.9
113.02332	13.1
114.02630	0.4
114.61424	0.3
115.03874	1.8
117.03344	5.5
117.04086	0.5
118.03651	0.5
119.03466	1.5
119.04922	32.4
120.05276	1.3
121.02869	0.8
123.04446	0.5
125.02345	1.6
127.03967	0.4
131.03401	3.0
132.24413	0.3
134.03662	0.7
135.04391	1.6
137.02322	0.6
138.01921	0.7
139.00290	1.2
143.03406	7.0
145.02869	17.9
146.03207	0.9
147.04419	1.1
148.05208	100.0
149.05534	4.7
151.03845	0.5
153.05522	0.8
159.02936	2.2
160.01613	0.6
161.04472	21.4
162.04871	0.7
163.03931	27.4
163.07555	75.8
164.04243	1.4
164.07909	4.3
175.03981	0.6
177.01813	0.5
177.05408	0.5
193.04996	0.5
203.05530	0.9
205.03395	0.6
205.05228	0.6
205.07088	6.2
206.07355	0.5
207.06674	0.5
247.09641	0.3
285.03821	0.4
307.08124	9.3
307.11346	0.5
308.08429	0.9
325.12885	1.2
471.12564	5.0
471.18448	12.8
472.12900	0.9
472.18719	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	471.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.2
57.03332	1.6
59.01252	43.4
59.84972	0.9
61.98707	8.5
69.03354	1.0
70.48634	0.8
71.01254	18.5
71.12242	1.6
72.99187	1.6
73.02837	5.5
78.95776	2.4
83.01267	2.8
85.02822	7.4
87.00741	3.3
87.04401	1.7
89.02310	7.6
89.02800	1.2
93.03307	0.9
95.01284	3.1
96.12500	0.7
96.96863	2.3
98.02361	4.6
99.00764	1.8
101.02321	14.0
103.03912	1.4
109.02892	1.9
110.02412	1.8
113.02326	10.6
117.03352	1.0
119.03389	3.1
119.04948	1.4
120.49470	0.9
121.25172	0.8
123.04404	3.8
125.02334	7.8
131.03392	2.1
137.02338	2.7
139.07541	1.0
143.03389	4.1
145.02849	1.6
148.05206	99.8
149.05536	6.4
149.99460	1.7
151.03893	2.1
152.04724	1.7
153.05473	2.6
159.02887	1.0
161.02362	0.9
161.04462	9.4
163.03880	2.2
163.07561	100.0
164.07867	6.2
165.05527	0.9
168.00569	3.6
169.01329	0.9
179.05486	1.5
193.05124	1.1
205.07068	4.2
249.14946	1.5
271.06421	0.9
289.07211	1.0
298.60330	0.8
341.06754	2.4
435.11301	1.2
471.14197	2.7
471.18704	9.9
471.25922	1.7
471.34805	1.2
472.15674	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.109
Annotation	Kaempferol 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
51.94758	0.4
52.86911	0.4
55.29393	0.4
59.01252	38.1
61.98702	3.0
69.19675	2.6
69.20089	1.0
72.99185	0.9
73.02830	2.0
80.89195	0.3
80.96380	0.4
83.01260	1.2
85.02835	1.9
87.00793	0.6
87.04365	0.4
89.02323	2.8
93.03360	0.7
97.06477	1.1
98.19716	0.5
99.00785	0.9
101.02331	4.0
103.03892	0.7
107.01272	1.2
109.02836	0.9
113.02340	1.4
117.03316	0.6
119.03387	1.3
120.51588	0.4
121.02837	0.5
121.10122	4.5
124.01501	0.5
125.02321	1.6
131.03500	0.5
132.02089	1.0
135.00781	0.9
137.02287	0.4
143.03406	0.5
143.04855	0.5
145.02878	3.1
151.00327	2.2
151.03886	0.6
153.01849	0.5
159.04381	0.4
161.04437	0.6
163.00294	0.8
163.03926	0.7
163.06029	1.7
164.01073	0.5
165.05495	9.6
165.09132	4.6
166.05707	0.6
169.06630	0.5
178.99724	0.7
181.29057	0.4
183.04442	1.7
185.02460	0.5
185.05962	0.8
187.03903	1.5
189.05376	0.6
189.19688	0.4
199.03996	0.6
211.03865	2.2
213.05466	0.7
227.03456	56.0
228.03825	4.5
228.74098	0.4
229.05086	2.5
239.03384	1.4
251.16519	15.2
252.16826	0.7
255.02977	85.6
256.03448	10.2
257.04581	2.6
259.09750	0.4
265.18231	0.5
283.02466	1.0
284.03265	100.0
285.03983	47.0
286.04413	3.7
307.08240	0.9
413.08719	1.2
413.21771	1.0
473.10910	65.3
474.11176	11.3
474.17938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.7
59.01254	15.1
61.98706	5.1
65.00190	0.5
68.99700	1.0
71.54671	0.6
73.02839	1.1
74.19285	0.5
79.95647	0.6
83.01260	0.6
85.02831	1.8
87.00760	0.6
89.02340	1.7
93.03358	1.0
96.95908	0.6
99.00755	3.3
101.02305	2.5
107.01280	1.7
113.02354	1.1
115.16501	0.5
117.03336	1.1
119.03416	0.9
119.04931	1.0
123.04456	0.5
125.02336	0.9
132.02081	1.7
134.03607	0.6
135.00774	1.8
135.04422	1.4
138.01865	0.6
143.04926	0.9
145.02855	2.3
149.99995	0.4
151.00284	1.4
155.04955	0.5
160.01584	2.4
161.04443	1.9
163.00256	1.0
163.03880	0.7
165.05434	0.6
165.09055	0.9
171.04402	0.7
175.03922	1.7
182.03627	0.5
183.04440	1.8
185.02361	0.8
185.06131	0.5
186.46819	0.5
187.03943	1.2
193.04919	0.8
199.03935	0.8
211.03983	3.0
213.05431	0.8
227.03452	36.6
228.03838	2.2
229.05038	3.7
239.03490	1.2
241.05156	0.5
251.16475	1.4
253.13881	0.5
255.02971	67.5
256.03513	7.6
257.04413	1.7
263.51831	0.5
283.02481	10.1
284.03259	100.0
285.03967	43.6
286.04395	3.6
288.72202	0.5
306.85858	0.6
343.13702	0.5
348.72412	0.5
393.22891	1.1
413.08774	7.8
414.08591	0.7
463.98297	0.5
472.25861	0.6
473.10837	32.1
473.18219	1.4
473.24765	0.8
473.27148	1.5
474.11078	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	473.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.1
57.03336	6.1
59.01252	65.1
60.01573	1.3
61.98682	2.7
69.77419	5.4
71.01255	25.8
72.99194	2.7
73.02821	8.5
83.01255	3.6
83.04877	3.0
83.42241	1.2
85.02821	11.7
87.00764	11.6
89.02318	5.6
93.99717	1.1
95.01273	3.0
95.04911	1.6
97.06452	4.3
99.00745	3.1
101.02322	25.6
102.22627	1.3
107.04904	13.1
113.02338	9.0
117.03299	1.8
119.03437	1.4
119.04919	5.8
120.05676	4.3
123.04385	2.8
125.02350	3.6
133.10136	1.6
135.04416	5.6
135.11661	3.1
137.02315	1.3
141.05420	2.4
143.52301	1.5
145.02815	5.3
146.07335	1.3
147.03461	1.3
148.33125	1.3
149.05893	1.4
151.03917	2.6
159.02890	2.6
159.11566	1.7
161.02397	1.7
161.04478	9.7
161.08426	2.0
161.09645	26.1
161.12061	1.8
161.13268	15.2
162.09912	1.9
163.03864	3.1
163.11215	3.6
163.57780	1.3
164.04324	1.5
179.05580	1.6
179.10724	8.7
180.06506	3.0
187.11214	30.9
188.11533	3.5
189.09123	19.1
191.03345	1.7
203.10716	1.8
205.12267	17.5
207.10242	5.4
223.08156	17.0
231.10155	1.9
249.11357	9.0
255.02980	4.3
267.10446	2.3
267.12778	2.1
284.03232	5.0
285.03918	1.9
289.07285	2.3
293.13879	1.3
329.12552	2.7
455.18948	1.7
473.20242	100.0
474.20670	15.1
495.22174	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.8
57.03323	12.7
59.01254	100.0
61.98706	5.3
69.41506	9.0
71.01258	35.6
71.04877	1.5
73.02821	11.7
75.00759	1.6
83.01268	7.1
83.04894	5.0
85.02827	19.6
87.00751	17.6
89.02328	11.6
91.18425	1.3
93.03328	5.4
95.01253	2.7
97.06480	6.5
98.20598	2.8
99.00765	4.2
100.96988	1.5
101.02329	31.1
101.05951	1.8
102.02624	1.4
107.04926	17.2
109.02760	1.2
109.69287	1.6
110.04206	1.4
113.02324	15.1
115.07534	2.7
119.03384	2.3
119.04898	2.4
120.05690	7.1
121.03688	1.3
121.35435	1.2
123.04425	4.6
124.01523	1.3
125.02357	9.6
129.01831	1.6
131.03410	1.8
133.06471	1.2
133.10188	1.5
135.04419	11.1
135.11713	2.6
137.02328	6.1
137.64076	1.5
141.05513	2.8
143.03413	2.0
143.08681	1.5
145.02832	3.9
151.03922	2.8
152.04716	3.8
157.06470	2.3
159.02931	3.5
159.08102	2.1
159.11679	1.5
161.02382	4.5
161.04478	13.2
161.09628	33.8
161.13280	20.0
162.09943	2.2
162.13617	1.4
163.03847	2.7
163.11212	3.0
164.04759	6.9
165.01959	1.9
165.05453	2.7
166.05009	1.5
176.01067	13.5
179.03351	1.6
179.07057	5.5
179.10696	6.2
187.11215	42.5
188.11526	3.3
189.09145	25.0
190.09576	1.8
191.03423	13.8
191.05511	7.5
203.10725	2.4
205.12279	22.1
206.12651	1.5
207.10191	5.5
223.08185	22.5
231.10089	2.9
233.06615	1.6
249.11360	9.6
267.12366	6.8
304.32004	1.5
308.96677	1.4
403.12445	1.4
413.22260	2.2
424.70847	1.5
455.89630	1.6
473.20300	88.5
474.20724	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	473.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.8
57.03315	5.3
58.00446	0.9
59.01254	63.5
60.01591	0.9
61.98699	2.8
63.07149	0.8
69.77280	1.9
69.77688	2.9
71.00895	1.4
71.01264	20.6
71.04909	0.8
72.91268	0.8
72.99194	1.6
73.02828	7.7
75.00740	1.4
79.05421	1.5
83.01257	4.6
83.04902	4.6
85.02831	13.3
87.00757	9.7
89.02327	5.8
90.07715	0.8
95.01267	1.2
95.04921	1.3
97.06465	4.7
99.00761	3.8
101.02333	21.8
104.36419	0.9
107.04906	11.8
113.02332	8.2
117.03380	0.9
119.04929	5.8
120.05674	3.9
122.03666	1.3
123.04409	1.9
124.01527	1.0
125.02323	3.3
125.64072	0.9
133.10086	1.1
135.04410	5.3
135.11682	2.3
137.02327	2.4
141.05487	1.5
143.03441	1.8
143.08595	1.1
145.02829	5.6
145.10101	1.0
146.03169	1.0
146.07263	1.5
151.03912	2.3
152.04675	0.9
159.02934	2.2
159.08128	1.0
161.02328	1.9
161.04478	10.4
161.09641	22.7
161.13280	14.4
163.03902	3.0
163.11191	2.1
176.66994	0.8
179.03793	0.8
179.05501	1.2
179.10692	11.1
180.06593	1.0
187.03870	0.9
187.11215	34.7
188.11487	2.2
189.09138	17.7
190.09360	1.7
191.03482	0.9
203.10716	2.0
205.12280	19.5
206.12604	1.9
207.10190	6.3
223.08174	16.4
223.13304	1.4
231.10237	1.6
245.08192	1.1
249.11310	12.0
255.02953	2.3
267.12341	4.7
284.03253	2.3
285.03986	2.4
289.07123	2.4
309.08835	2.4
311.14984	0.9
329.12302	1.5
455.19208	3.1
473.20251	100.0
474.20773	17.2
474.27423	0.9
495.22318	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91666	0.5
59.01254	100.0
60.01591	0.8
61.98716	0.8
66.98473	0.5
70.10388	1.0
70.10780	1.0
93.31506	0.6
126.61184	0.5
155.24905	0.5
212.46214	0.6
278.83746	0.5
364.30807	0.6
382.81561	0.6
393.17520	0.6
447.08307	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.9
61.98696	0.3
62.96258	0.2
70.68536	0.4
71.01255	0.4
78.95778	28.8
85.02325	0.2
96.95914	0.2
96.96829	1.7
101.64764	0.2
122.00027	0.3
127.07549	0.2
140.01088	2.6
152.99501	3.9
165.66379	0.2
171.00563	3.7
191.55905	0.2
196.03769	1.5
206.13705	0.2
214.04816	3.3
225.59605	0.2
259.20639	0.3
275.20264	0.5
277.21719	100.0
278.22061	12.0
292.61325	0.2
318.17361	0.2
357.85706	0.2
400.22382	0.3
474.26245	18.3
475.26608	3.2
498.24036	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83058	0.3
55.30953	0.3
59.01239	0.5
60.02088	0.4
61.07650	0.3
71.01927	0.6
74.58683	0.3
78.95780	100.0
82.29174	0.4
96.62610	0.4
96.96845	7.6
122.00037	0.9
140.01103	3.7
149.96503	0.4
152.99495	15.9
157.95671	0.4
171.00565	16.6
192.62732	0.4
196.03749	7.4
214.04848	2.0
265.20325	0.4
265.23962	0.4
277.21735	49.4
278.22079	5.9
367.11444	0.4
400.22699	1.4
474.26279	54.3
475.26611	7.9
475.33105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76049	0.4
57.03324	1.2
59.01252	28.0
60.01576	0.8
61.98694	1.1
69.75183	2.2
71.01255	8.9
72.99181	1.0
73.02825	1.5
75.00768	0.9
76.29234	0.4
81.03330	0.6
83.01272	0.7
85.02816	4.4
87.00735	0.9
89.02319	3.6
91.01778	0.5
93.03342	3.6
95.01289	1.2
97.02814	0.7
98.19844	0.6
99.00792	0.9
99.04348	0.5
101.02328	4.6
107.01281	0.8
107.04925	0.8
108.02056	1.5
109.02841	8.4
113.02328	3.4
117.03338	2.4
119.04920	100.0
120.05258	4.2
121.02833	1.9
122.03654	0.7
123.00764	1.6
123.04403	6.9
124.01591	0.6
125.02350	2.0
127.07539	0.7
129.05479	0.8
132.02058	2.9
133.02850	2.8
134.03644	8.2
135.04488	2.4
136.01566	0.6
137.02357	14.9
137.05991	4.7
138.03137	0.9
139.03909	1.2
143.03403	0.6
145.02856	4.2
147.04466	0.6
149.02373	1.1
149.05977	3.1
150.03151	2.5
151.00305	2.1
151.03926	1.6
152.01091	2.7
153.01842	13.8
153.05487	1.2
154.02248	0.6
160.01576	9.4
161.02397	4.2
161.04431	1.9
162.03085	0.5
163.03922	52.2
164.04260	2.4
165.05496	1.6
166.02612	0.7
167.03421	12.3
168.03748	0.9
175.03926	11.5
176.04289	0.9
177.05502	7.9
178.02640	4.1
179.03394	2.3
179.05612	0.6
181.04967	2.3
183.10272	0.5
193.05011	7.4
194.66350	0.4
195.02921	1.0
195.06575	1.1
203.37895	0.5
209.04530	0.7
221.04283	0.8
224.96951	0.5
234.05298	0.6
251.05576	0.7
281.06656	7.7
282.06961	0.7
296.05344	1.2
297.06137	18.3
298.06522	1.8
307.08105	0.8
309.12009	1.5
311.07709	25.8
312.07947	2.5
313.09586	1.0
329.08698	0.8
337.09229	5.5
415.23422	3.4
427.13794	0.8
431.13242	0.7
443.09909	1.3
475.12601	25.7
475.22028	4.4
475.29388	1.7
476.12338	5.4
476.22440	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44874	0.2
57.03326	1.1
59.01252	8.6
61.40238	0.2
61.98704	1.8
64.02343	0.2
65.00205	0.6
69.26225	1.8
71.01257	3.3
72.99163	0.4
73.02831	0.6
74.93925	0.2
75.00751	0.2
81.03334	4.9
83.01258	2.9
85.02821	1.0
87.00762	0.6
89.02316	2.0
93.03336	0.9
95.01264	0.4
95.04901	1.2
97.02854	0.6
98.20550	0.3
99.04413	0.5
101.02315	1.8
105.03357	0.3
107.01266	0.6
107.04897	0.2
108.02087	0.3
109.02865	0.2
113.02332	1.2
115.00241	0.2
117.03381	1.4
117.41265	0.2
119.03384	0.9
119.04913	1.3
121.02838	0.5
123.04417	34.6
124.04749	1.2
125.02343	7.3
126.02684	0.3
131.03384	0.4
133.06436	0.2
135.00832	0.3
135.04466	0.6
137.02351	1.0
139.03915	0.3
143.03392	0.6
145.02856	5.3
146.03185	0.3
149.02374	1.4
151.00290	1.1
151.03905	0.8
161.04474	0.6
161.06004	0.5
163.03920	2.0
163.05980	0.5
166.02628	0.4
166.05891	0.2
166.40540	0.2
167.03418	100.0
168.03763	4.9
168.04851	0.1
175.00317	1.0
175.01685	0.2
175.03955	0.2
177.05487	0.2
179.03461	0.8
179.05539	0.4
180.04195	0.3
181.04980	1.8
191.03441	16.5
192.03815	1.1
193.05020	0.4
205.05058	0.3
205.07039	0.3
209.04489	6.4
210.04814	0.4
221.04555	1.3
233.04514	1.5
247.08110	0.3
255.69925	0.2
265.07129	0.7
307.08194	1.7
311.07785	0.2
319.35995	0.2
415.23126	1.0
457.12241	0.2
475.12430	8.6
475.29221	0.9
476.12973	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	475.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85875	0.2
57.03316	0.9
59.01250	4.7
61.98702	1.8
65.00208	0.4
69.03339	0.3
69.44164	0.7
69.44567	0.6
71.01256	1.7
73.02830	0.4
81.03328	5.0
83.01251	2.5
85.02841	1.2
89.02338	0.9
93.03349	0.5
95.04918	0.9
95.58937	0.2
96.95853	0.2
97.02824	0.6
99.00803	0.2
99.04401	0.4
101.02314	0.9
107.01300	0.7
109.02847	0.3
109.12476	0.2
113.02319	0.5
117.03348	0.7
119.03358	0.3
119.04929	1.3
121.02831	0.6
123.04413	35.8
124.04744	1.3
125.02336	6.3
126.02644	0.4
127.03919	0.2
131.01253	0.3
132.02069	0.2
133.06430	0.2
135.04399	0.7
137.02338	0.7
139.03986	0.4
145.02852	3.3
147.04393	0.2
149.02328	1.1
149.06015	0.2
151.00273	1.4
151.03918	0.6
160.01543	0.6
161.04465	0.7
161.05986	0.4
163.03940	1.8
165.01913	0.3
166.02676	0.4
167.03412	100.0
168.03749	4.4
175.00308	1.0
175.03931	0.7
179.03397	0.8
180.04156	0.3
181.05020	1.6
181.92113	0.2
183.54201	0.2
187.04044	0.2
191.03424	17.6
191.05486	3.1
192.03851	1.0
193.04990	0.5
205.04965	0.6
209.04492	5.7
210.04840	0.4
213.53201	0.2
221.04524	1.5
233.04459	1.7
237.14574	0.2
242.89595	0.2
245.80101	0.2
265.07147	1.0
285.03949	0.2
307.08154	1.0
311.07831	0.2
312.02847	0.2
313.03497	0.5
415.23309	0.5
457.11551	0.3
475.12369	7.8
475.28989	0.3
476.12711	1.6
476.19189	0.2
476.21231	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71495	5.8
57.03305	7.1
59.01246	13.6
69.59596	6.2
70.47415	6.8
70.66714	10.8
71.01254	28.5
72.99157	6.6
85.02843	6.2
86.37333	7.5
87.00752	10.5
89.02332	10.5
106.50092	4.6
115.00241	27.0
132.47986	5.7
133.01326	48.1
133.04955	100.0
161.02356	8.4
266.27512	6.2
347.81189	6.1
412.89905	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	475.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01684	1.3
57.03323	1.5
59.01252	27.0
61.98711	1.6
63.08552	1.2
69.87051	4.5
71.01262	11.3
72.99178	1.4
73.02828	4.0
83.01264	2.4
85.02831	4.3
89.02320	4.6
93.03320	1.6
98.19853	1.6
99.04350	1.7
101.02326	5.4
105.03333	1.7
106.04120	1.7
108.02065	1.7
109.02844	3.7
112.90913	1.2
113.02318	4.9
117.03343	4.1
119.04916	80.7
120.05264	3.1
121.02831	1.7
121.65841	1.2
123.00766	1.6
123.04382	5.0
125.02305	3.3
132.02086	19.5
133.02844	4.6
134.03639	16.6
135.04379	4.5
137.01474	1.2
137.02362	6.8
137.05981	37.7
137.06966	2.4
138.06326	2.6
145.02850	8.2
149.02306	1.8
149.05965	3.5
151.00290	3.1
152.01105	1.9
153.01849	8.7
159.06891	1.3
160.01572	95.6
161.02011	6.2
161.04518	2.4
163.03915	32.8
164.04320	1.6
165.05453	2.0
167.03374	7.4
175.03926	100.0
176.04245	6.4
177.05511	6.8
179.03426	3.8
189.05737	1.3
191.07060	1.5
193.04973	15.2
194.05511	1.3
195.06548	1.3
205.82623	1.5
221.04529	1.5
255.02765	1.2
281.06702	2.6
297.06110	14.0
309.11899	1.7
311.07745	19.1
312.08090	1.6
331.82294	1.3
337.09277	41.2
337.13293	2.0
338.09598	4.3
415.23630	5.1
420.64499	1.1
431.30060	1.4
453.60257	1.2
475.16736	46.7
475.21979	3.3
475.29214	9.7
476.17014	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	475.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.7
58.00459	0.3
59.01254	26.1
60.01594	0.3
61.98708	1.3
69.03310	0.3
70.94343	0.4
70.94676	0.5
71.01256	8.3
72.99187	0.8
73.02834	1.7
83.01264	1.0
85.02827	4.1
87.00755	1.3
87.04448	0.3
88.98674	0.3
89.02313	4.9
90.58614	0.3
93.03318	0.5
95.01276	0.8
97.02850	0.4
99.00758	1.1
99.04433	0.7
101.02327	5.8
101.05983	0.6
104.04956	1.2
107.04897	0.8
109.02849	0.5
111.00772	0.4
113.02348	3.1
117.03358	29.8
118.03704	1.7
119.03480	1.7
119.04928	10.2
120.05252	0.4
121.02888	0.6
122.03633	0.5
123.04444	0.6
125.02388	0.8
131.03413	0.4
132.02071	4.9
133.02866	2.2
133.06448	0.6
134.03638	6.7
134.54578	0.2
135.04431	1.1
137.02377	0.7
137.06024	0.8
143.03406	0.6
145.02866	100.0
146.03214	4.5
147.04478	0.6
148.03979	2.6
149.02348	0.9
149.04425	0.4
149.05968	1.2
150.03157	2.4
151.00371	0.3
151.03929	0.8
152.01089	0.3
153.05402	0.4
159.02907	0.4
160.01581	22.1
161.02376	2.9
161.04486	2.4
161.06006	2.0
163.03925	13.2
165.05539	2.4
166.05013	6.1
167.03453	1.2
167.06996	0.3
175.03929	22.9
176.04361	1.9
177.05493	1.7
179.03436	1.1
179.05540	0.5
179.10617	0.3
180.05740	1.1
187.03996	0.5
191.03433	0.5
191.07091	0.9
193.05005	5.0
195.04819	0.3
195.06540	1.7
205.05066	2.0
209.04579	0.6
210.04028	3.8
219.02879	0.6
234.05168	0.4
235.06023	1.8
249.07632	0.5
253.18146	0.4
265.07123	2.1
265.72266	0.3
265.75500	0.3
279.08762	0.8
295.08377	0.3
297.09869	0.7
307.08264	0.7
311.07709	0.4
337.09348	0.9
343.11896	1.5
415.23380	4.3
416.23911	0.5
475.16086	61.5
476.16281	10.9
476.23389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91548	0.9
57.03320	1.5
59.01254	30.4
61.98694	2.3
66.57507	0.9
71.01252	10.8
71.54255	1.4
73.02829	3.1
81.03371	0.9
85.02847	4.8
87.00769	1.2
87.85813	0.9
89.02337	4.1
93.03349	1.1
95.01275	1.3
96.95899	0.9
99.04403	3.0
101.02331	7.8
105.03332	1.1
106.04145	1.2
107.04964	1.0
108.02065	1.9
109.02837	4.2
113.02316	4.9
115.85404	0.8
117.03350	3.0
119.04924	47.2
120.05247	1.6
121.02827	1.8
123.04429	4.2
124.01563	1.0
125.02332	3.6
132.02075	20.4
133.02866	4.7
134.03644	15.9
135.04411	2.7
137.02365	3.8
137.05984	41.4
145.02843	6.2
147.04474	1.2
149.02350	3.2
149.05972	3.5
151.00319	1.4
151.03917	1.1
152.01059	1.6
153.01852	5.7
160.01575	86.2
161.02083	4.7
161.04506	3.0
163.03931	21.4
164.04263	1.5
165.05464	1.4
167.03430	5.2
175.03928	100.0
176.04282	6.1
177.05528	4.0
178.02528	1.4
179.03500	1.8
193.05008	13.4
241.55107	0.9
281.63843	1.0
285.04236	1.1
297.06210	6.3
298.06622	0.9
307.08246	1.4
309.11923	1.5
311.07678	10.3
312.08084	1.2
329.05225	1.2
337.09283	35.7
338.09775	2.9
415.23456	5.1
431.30307	1.6
475.16492	43.0
475.21600	2.9
475.28763	11.1
476.16776	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.8
58.00463	0.9
59.01253	28.1
59.34095	0.7
60.01594	0.9
61.30610	0.7
61.98716	3.4
65.47562	0.6
69.68064	2.6
69.68493	1.6
70.32158	0.5
71.01254	13.8
72.99184	1.5
73.02816	1.5
75.10390	0.6
83.01270	1.4
85.02836	4.2
87.00767	1.5
89.02335	6.9
93.03331	3.4
95.01271	1.2
99.00768	0.8
101.02322	7.8
104.04933	2.7
106.06495	7.3
108.08073	15.2
113.02326	4.8
117.03304	0.9
119.03386	1.7
123.04419	4.3
125.02368	1.7
137.02379	5.8
145.02856	1.8
147.03159	1.0
148.03947	35.1
149.04404	1.6
152.07092	6.6
159.02951	0.8
160.01706	1.1
160.03951	22.9
161.04720	25.5
162.05507	4.5
164.03436	1.5
165.09172	3.2
166.08661	2.5
167.03413	10.0
174.05490	1.4
175.02658	1.5
175.03983	1.0
191.03435	2.0
192.02982	3.1
193.03735	12.8
231.65659	0.8
240.10214	2.0
242.11871	2.7
267.11356	5.4
269.12943	63.6
270.13303	6.1
271.06131	0.9
295.10870	51.0
296.11185	5.3
311.13971	2.4
312.14362	0.8
313.11942	62.4
314.12152	7.3
355.13019	10.5
356.13486	1.4
384.93549	0.8
402.51080	0.7
415.15353	1.3
415.23438	1.3
430.33798	0.7
450.09531	0.7
475.17224	100.0
476.10999	1.2
476.17636	16.1
476.24747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.1
57.03325	3.0
58.00462	1.0
59.01250	100.0
60.01590	2.0
61.98703	4.0
69.03324	0.7
71.01254	25.4
72.99197	1.7
73.02818	13.7
74.34632	0.7
75.00749	0.9
79.95142	0.6
83.01276	1.9
85.02829	9.5
87.00777	3.1
89.02318	14.0
89.02836	1.1
95.01280	1.9
96.95889	1.3
97.02857	1.3
99.00779	2.9
99.04427	3.0
101.02326	19.3
103.02842	0.6
106.06516	2.3
113.02329	9.5
117.01801	0.8
117.03377	1.3
119.03393	5.8
119.04914	1.4
121.02879	0.9
121.10143	2.3
123.04506	1.3
125.02348	3.5
131.03394	1.5
137.02383	2.4
137.09679	0.7
139.03896	1.5
143.03427	2.8
145.02869	4.4
146.03171	1.8
150.03186	1.9
150.05551	2.1
151.03857	2.2
159.02917	2.1
160.01575	1.2
161.02406	1.2
161.04454	11.7
163.03923	1.4
163.07600	0.7
163.11168	3.6
165.09157	3.0
165.12746	1.0
167.10687	2.9
175.03973	1.5
179.05544	4.4
179.06961	1.1
179.10706	1.7
181.12303	1.5
183.10260	1.5
207.10213	4.1
207.13928	0.9
209.11824	2.3
221.06667	0.8
227.07053	0.7
237.11356	1.0
253.18130	1.2
255.27158	0.7
267.12436	1.1
285.03903	1.1
286.03931	1.3
307.08252	1.0
315.63272	0.6
327.09436	1.1
373.26016	0.8
399.30417	0.8
415.23392	16.7
415.28735	1.3
416.23703	2.7
457.20786	0.8
475.16473	1.9
475.22943	6.5
475.29028	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	475.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.5
57.03329	7.8
58.00475	1.2
59.01254	100.0
60.01602	1.2
61.98707	4.4
69.03331	1.3
71.01251	25.0
71.04913	1.2
72.99197	1.2
73.02823	7.3
75.00749	1.0
81.03345	2.2
82.44366	0.7
83.01279	3.3
83.04921	2.8
84.47069	0.7
85.02819	11.9
87.00789	2.0
87.04388	5.4
89.02316	11.2
89.02827	1.0
93.03350	3.0
95.01273	2.1
97.02837	1.2
98.20538	1.9
99.00736	3.7
99.04393	7.0
101.02322	16.3
107.04916	2.1
112.01588	2.1
113.02340	10.7
117.05490	0.8
119.03394	5.8
123.04429	1.1
125.02361	2.9
129.01758	0.9
131.03426	1.4
137.02405	2.6
143.03436	1.5
145.02924	1.7
145.05028	0.9
149.09679	1.3
150.05553	0.7
161.04463	10.1
161.48546	0.8
167.03531	1.1
175.03952	1.1
179.05605	2.4
179.07132	1.5
181.12350	0.9
191.05540	11.7
191.07086	0.8
195.13982	1.0
205.03450	1.0
235.08221	1.2
235.17018	2.0
243.16327	0.9
247.08545	1.0
260.73273	1.0
269.17630	2.1
274.66678	0.8
283.19247	1.9
313.20313	2.8
313.23727	1.2
331.24844	1.2
415.23331	18.8
415.28662	1.2
416.23871	2.7
475.15927	1.4
475.23236	1.3
475.29633	9.2
476.29767	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44642	0.1
59.01251	3.2
59.33460	0.1
61.98706	1.5
64.41670	0.1
68.96371	0.1
70.85738	0.3
71.01250	1.0
73.02831	0.3
75.00744	0.1
85.02825	0.5
87.00726	0.2
89.02326	0.7
101.02333	0.5
104.58360	0.1
108.02055	8.9
109.02383	0.3
109.31007	0.1
113.02370	0.4
117.03374	0.7
119.03406	0.2
119.04873	0.1
121.02821	0.2
123.04388	0.2
131.56827	0.1
132.02081	1.6
134.03659	0.9
138.01874	100.0
139.01271	0.2
139.02226	3.3
139.87587	0.1
145.02863	2.5
146.03142	0.1
149.06038	0.1
151.02664	0.3
158.07330	0.1
160.01575	6.1
161.01962	0.2
161.04488	0.2
163.03990	0.3
168.02902	0.2
175.03929	4.5
176.00824	0.1
176.04417	0.3
179.05486	0.2
189.45557	0.1
190.02605	0.4
191.03033	0.2
191.07069	0.1
193.05087	0.4
205.04967	0.3
206.05292	0.3
235.06085	0.1
239.32019	0.1
255.06642	0.3
271.02335	0.2
272.02731	0.1
295.08267	0.4
301.03406	0.2
314.04388	0.2
329.02710	0.6
330.03329	0.4
337.09253	0.9
475.29358	0.2
476.09308	0.3
476.16656	0.4
476.29828	0.3
477.09888	0.4
477.21240	1.2
477.27527	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.9
59.01503	0.2
69.21621	1.7
78.95777	12.5
96.96848	0.5
98.20574	0.4
122.00037	0.2
140.01082	2.0
152.99484	1.8
155.95776	0.2
171.00500	1.0
183.06477	0.2
191.83679	0.2
196.03728	1.2
214.04814	2.9
240.20428	0.3
261.22324	0.5
279.23285	100.0
280.23630	11.4
347.52267	0.2
467.21347	0.2
476.27832	12.1
476.70496	0.2
477.28043	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	476.2782
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.83977	0.3
56.97973	0.3
59.01241	0.7
62.51429	0.3
62.96295	0.4
65.40967	0.3
69.21797	2.9
72.94489	0.3
78.95778	38.0
94.19051	0.3
96.96841	1.4
98.19842	0.8
122.00003	0.9
136.64049	0.3
140.00034	0.3
140.01089	5.9
152.99509	4.5
171.00557	3.1
196.03749	10.8
214.04817	2.9
257.56171	0.3
261.22293	0.3
279.23285	100.0
280.21219	0.3
280.23618	10.9
476.27832	32.8
477.28159	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	476.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27388	0.2
59.65681	0.2
62.96272	0.4
63.20519	0.2
78.95779	100.0
96.96848	8.4
98.19719	0.3
106.55915	0.2
112.21714	0.2
121.30983	0.2
129.81699	0.2
140.01094	0.5
152.99495	18.0
153.99780	0.4
171.00558	20.1
172.00912	0.4
177.14041	0.2
214.04797	0.5
219.37109	0.2
221.50891	0.2
252.47151	0.2
279.23264	1.4
280.23581	0.2
402.24133	1.5
444.35272	0.2
476.27835	57.1
477.28159	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	477.0674
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
57.03321	0.3
59.01258	3.1
61.98705	0.6
63.02267	2.2
65.00193	3.6
69.63722	1.4
71.01255	3.3
72.99200	0.5
73.02856	0.3
74.74049	0.2
75.00758	0.6
83.01253	2.7
85.02818	2.0
87.00739	0.4
89.02332	0.5
91.01794	0.3
92.25635	0.2
93.03349	0.9
95.01239	0.6
98.19747	0.5
99.00778	0.8
101.02338	0.4
103.00262	0.7
107.01274	7.8
108.02087	0.4
109.02844	4.5
111.00794	0.3
113.02329	2.0
115.00314	0.3
117.01833	0.4
119.01325	0.5
121.02850	7.3
122.03151	0.3
123.04454	0.3
133.02872	0.3
135.00737	0.7
136.68555	0.2
139.03920	0.5
140.00917	0.2
147.04475	0.4
148.01590	0.5
149.02390	1.4
151.00278	29.1
152.00658	1.1
156.17430	0.3
157.06493	0.3
159.04425	0.8
161.02367	0.7
163.00290	4.2
163.03883	0.3
164.01086	0.6
169.01329	2.0
171.04390	0.4
173.05951	0.4
175.02376	1.2
175.03966	0.8
178.99779	13.3
180.00183	0.5
183.04448	0.5
185.05949	0.6
186.29344	0.3
187.03928	1.0
190.99756	0.4
192.00513	0.3
193.01479	0.3
195.04588	0.3
201.05554	1.2
203.03493	0.7
205.04887	0.3
211.03926	2.6
212.04594	0.5
213.01884	0.4
215.03418	0.3
217.05058	0.3
227.03418	2.2
228.04166	0.5
229.05023	1.7
239.03484	0.9
243.02879	0.6
245.04510	3.5
246.04855	0.4
255.03008	5.0
256.03580	0.7
257.04523	0.7
266.02213	0.3
271.02448	1.1
272.02927	0.3
273.04065	2.5
283.02481	2.8
284.03110	0.6
300.02823	0.4
301.03522	100.0
302.03876	8.3
427.37363	0.3
477.06683	11.3
478.07025	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	477.1039
Annotation	Ranupenin 3-rhamnoside
Peak:m/z	Relative Intensity
55.01742	1.7
57.03307	2.6
59.01252	100.0
61.98708	6.6
65.00188	2.8
68.44255	1.0
68.99644	1.1
69.32892	2.3
69.33297	5.8
71.01253	23.3
72.99143	2.4
73.02504	1.0
73.02822	11.5
75.00729	4.0
75.37382	1.0
83.01248	2.9
85.02817	10.5
87.00739	1.9
89.02314	11.9
93.03310	1.4
95.01254	3.1
99.00742	2.6
99.04361	1.3
101.02327	14.7
107.01249	2.3
108.01370	1.8
108.02059	22.4
109.02856	8.7
109.99964	1.7
111.00741	4.1
113.02335	8.9
117.03345	10.9
119.03368	3.7
119.04905	4.5
120.99513	4.6
121.02783	2.2
122.03621	2.2
123.00735	1.9
123.04377	6.0
124.01471	1.3
125.02319	4.2
133.02859	1.6
135.00723	3.5
135.04378	2.1
136.98669	1.5
137.02322	3.0
137.99438	1.4
139.00288	11.5
139.03912	1.4
143.03304	1.2
145.02856	36.6
146.03181	1.1
149.02290	1.2
151.00281	5.9
151.03839	1.4
152.01059	16.3
153.01862	9.8
153.05406	3.0
154.02615	9.6
159.02885	1.2
161.02316	4.8
161.04460	11.4
163.00232	2.1
163.03896	6.8
165.05534	1.2
165.98926	2.9
167.03436	10.7
168.00542	1.0
169.04933	4.6
171.04398	3.3
175.03882	2.1
177.01830	1.7
178.99734	3.1
179.03314	1.6
179.05455	2.9
181.01337	1.5
183.10168	4.0
186.02901	1.1
187.03888	3.4
189.01886	1.2
198.03047	1.2
199.03877	2.6
200.04649	1.7
202.02637	2.0
203.03319	3.0
207.06633	1.2
209.04405	1.2
214.02563	3.1
215.03381	6.2
216.04114	1.5
227.03503	2.1
231.02863	3.1
241.01450	2.3
242.02107	6.4
243.02951	12.1
244.03575	1.2
251.11360	1.3
254.01981	1.1
255.07031	1.1
257.04520	3.3
258.01746	5.0
259.02527	9.9
260.02924	1.1
261.04214	1.2
270.01672	8.6
271.02478	12.6
272.03159	6.9
273.03922	3.9
274.04581	1.2
285.04031	17.2
286.01114	5.4
286.04208	2.6
287.01871	37.8
287.05478	9.5
288.02179	4.2
298.01132	1.7
298.08206	1.7
299.01978	5.1
301.03540	11.5
302.04300	11.1
303.04883	4.2
307.08252	10.0
312.09802	1.5
313.03497	4.2
313.10678	1.5
314.04279	6.5
315.01505	6.8
315.17978	1.5
316.02194	9.5
316.49463	1.3
327.12283	4.1
328.13086	1.3
329.03070	1.3
330.03751	28.2
331.04572	35.6
332.04724	3.3
333.23682	1.1
358.10403	1.7
372.12268	1.1
373.12958	3.2
385.12756	1.8
417.25067	13.2
447.15768	1.2
477.10175	89.4
477.22296	8.3
478.10428	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	477.1037
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
68.95178	0.4
69.53592	2.7
70.79016	0.3
75.12815	0.4
107.01286	0.4
125.02316	0.6
146.19714	0.4
151.00243	2.3
161.15538	0.4
169.01286	0.6
171.04419	0.5
178.99802	0.9
197.02428	0.5
199.03928	2.8
201.01854	1.0
203.03349	0.7
204.04228	0.4
215.03438	3.0
215.58801	0.4
225.01973	0.4
226.02745	0.7
227.03484	2.7
229.01326	0.5
237.28474	0.4
242.02177	6.5
243.02965	29.2
244.03381	2.2
255.03072	0.8
257.04553	7.8
258.05005	0.5
270.01706	8.3
270.04611	0.5
271.02475	30.0
272.02780	2.7
273.04245	0.3
283.75949	0.4
285.04041	18.1
286.04703	5.7
287.05338	0.6
299.02005	5.9
300.02637	3.4
301.03070	0.4
314.04318	39.6
315.04968	9.0
316.05432	0.9
357.06293	1.1
477.10370	100.0
478.10742	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	477.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.1
59.10407	0.6
66.54710	0.5
69.03320	2.5
69.75196	1.9
69.75613	1.3
71.01257	0.7
72.58732	0.6
78.79427	0.6
83.01266	1.1
89.02318	1.1
95.01246	1.0
97.02818	2.5
97.03417	0.5
98.19888	1.1
107.01289	0.9
109.02805	0.7
118.97993	2.2
123.00771	3.7
123.04394	0.7
124.01555	12.8
125.02335	47.3
126.02664	1.7
135.04387	0.7
137.02373	1.3
145.23523	0.6
149.99492	20.6
151.00294	3.1
151.03908	0.6
167.03413	2.0
167.72960	0.6
168.00558	50.8
169.01311	4.3
178.70680	0.6
193.01337	1.2
216.82404	0.6
234.27281	0.6
315.10837	2.8
432.49783	0.6
459.11420	1.7
477.12479	100.0
478.12784	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	477.1402
Annotation	Calceolarioside B
Peak:m/z	Relative Intensity
56.43764	0.2
57.03335	0.5
59.01252	4.4
61.98700	1.0
69.28752	2.2
71.01253	3.0
71.59228	0.2
72.99192	0.4
73.02821	0.8
80.19573	0.3
83.01272	0.6
85.02840	1.2
87.00763	0.5
89.02322	0.9
89.03864	0.3
93.03338	0.6
95.01281	0.4
95.04910	0.4
97.02837	0.3
101.02305	1.6
105.03324	0.4
107.01237	0.5
107.04901	0.4
108.02057	0.4
109.02805	1.2
113.02343	0.9
117.03362	1.2
120.99531	0.4
121.02834	0.7
122.03672	0.4
123.04415	38.4
124.01544	0.7
124.04774	1.5
125.02334	0.9
131.03400	0.3
132.02086	1.3
133.02853	25.4
134.03258	1.0
135.04419	15.0
136.04747	0.7
137.02348	1.2
139.03889	0.5
145.02852	1.9
146.03574	0.3
149.02382	0.3
149.05977	0.7
151.00302	2.1
153.01849	1.0
153.05484	41.5
154.05824	1.8
159.04398	0.4
161.02354	100.0
162.02702	5.3
163.03984	0.4
165.05400	0.4
168.02943	1.3
169.01396	0.6
169.03300	0.8
169.04971	0.7
175.03897	0.6
177.01903	0.4
177.05490	2.2
179.01819	0.5
179.03421	10.5
179.06987	0.3
180.03833	0.5
183.10184	0.6
193.05008	0.3
197.11723	0.4
203.03423	0.9
221.04465	3.0
221.10669	0.3
233.04575	0.5
251.05579	0.5
263.05783	0.5
280.06079	0.5
286.00873	0.4
287.01956	0.4
291.27512	0.3
297.06180	0.7
301.03485	0.9
307.08020	0.5
315.01532	0.7
315.10870	2.6
316.11078	0.3
323.07706	35.4
324.08115	3.2
327.11948	0.3
344.18100	0.3
345.13290	0.6
477.14014	33.2
478.14395	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1404
Annotation	Calceolarioside B
Peak:m/z	Relative Intensity
57.03328	0.7
57.27491	0.3
59.00949	0.4
59.01251	8.1
61.98709	2.3
69.03336	0.3
69.24760	0.3
69.25112	2.4
71.01257	3.7
72.99171	0.3
73.02821	1.3
75.00746	0.6
81.03326	0.4
83.01266	0.7
85.02822	2.2
87.00751	0.6
89.02333	1.5
93.03360	0.7
95.04903	0.3
99.00765	0.7
99.04403	0.5
101.02320	2.6
101.53653	0.3
105.03312	0.4
107.04950	0.4
108.02108	0.5
108.81961	0.2
109.02838	0.7
111.00798	0.8
113.02345	1.4
117.03358	1.3
119.04910	0.6
121.02898	0.8
122.03651	0.5
123.04416	43.0
124.04729	1.7
125.02354	0.9
131.03456	0.3
132.02046	1.4
133.02856	28.9
134.03581	1.2
135.04424	15.7
136.04784	0.9
137.02327	0.8
139.00262	3.3
139.03993	0.3
143.03419	0.4
145.02852	1.9
149.02386	0.2
149.05974	0.6
150.03134	0.3
151.00296	0.7
151.03906	0.4
153.02014	1.3
153.05484	39.6
153.98840	0.3
154.02608	0.3
154.05780	1.8
159.04407	0.3
161.02356	100.0
162.02698	5.8
163.03931	0.3
169.01364	0.4
175.03979	0.6
177.01817	0.5
177.05461	2.0
178.99841	0.5
179.03424	10.9
180.03799	0.5
180.15234	0.3
181.05063	0.5
183.10144	0.6
195.06541	0.3
199.03983	0.3
203.03453	0.7
215.03447	0.5
220.03676	0.5
221.04494	2.5
225.32455	0.3
251.05685	0.5
255.03165	0.4
257.01013	0.3
258.01614	0.3
259.02356	0.4
263.05637	0.9
269.00851	0.4
271.02612	0.7
287.01917	1.2
289.07346	0.5
299.01929	0.7
301.03671	1.1
307.08148	0.6
314.04196	0.5
315.01569	1.4
315.04803	0.4
315.10974	1.9
323.07715	36.0
324.07996	3.8
331.04575	0.4
331.17633	0.5
416.29550	0.3
417.24466	0.3
477.14038	33.8
478.07996	0.5
478.14450	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	477.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.9
59.01253	41.1
60.01585	1.3
60.14408	1.3
61.98707	8.6
62.29313	1.2
65.70907	1.4
69.34203	10.4
71.01262	14.7
72.99200	1.5
73.02824	4.1
78.73247	1.2
83.01260	2.9
85.02823	7.0
87.00742	1.4
87.04375	1.6
87.31274	1.5
89.02332	6.2
93.03342	1.7
95.01259	1.5
95.04929	2.1
101.02323	12.7
113.02338	8.9
117.03371	1.6
119.04900	1.4
120.99528	1.1
122.03628	1.6
123.04408	76.4
124.01560	54.2
124.04717	2.7
131.03383	2.1
132.01128	2.3
132.02063	20.2
133.02841	3.2
134.03662	15.2
135.04410	1.8
137.02339	3.4
139.03915	88.3
140.04236	4.6
145.02841	1.4
149.04526	1.5
149.05978	3.8
151.00191	1.5
153.05484	100.0
154.05823	4.8
160.01572	75.5
161.02275	7.8
161.04456	3.5
175.03926	89.5
176.04298	4.4
179.03389	5.4
181.41989	1.2
183.10144	5.0
193.04982	21.1
217.04976	2.3
243.02899	2.6
251.11578	1.5
271.02405	2.4
301.03436	2.8
314.04260	1.8
323.07773	2.3
337.09265	80.4
338.09604	9.1
398.55673	1.3
417.24796	5.0
477.13989	30.9
477.23083	4.8
477.30588	2.7
478.14337	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	477.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.5
59.01250	5.1
60.01565	0.4
60.67015	0.2
61.98709	1.4
71.01251	2.0
71.55023	0.4
72.99185	0.5
73.02822	1.0
81.03355	0.2
81.82653	0.2
83.01241	0.3
85.02825	0.8
87.00738	0.6
89.02312	1.0
90.55579	0.2
93.03349	0.8
95.01321	0.2
95.04910	0.9
99.00788	0.2
99.04401	0.6
101.02331	2.0
103.03882	0.3
108.02089	0.2
109.02801	0.2
113.02348	0.6
117.03394	0.3
119.03378	0.3
119.04907	0.4
120.99522	0.3
121.02800	0.5
122.03614	0.9
123.00856	1.3
123.04410	70.2
124.01565	1.1
124.04749	2.7
124.35483	0.2
125.02299	0.4
132.02048	0.8
132.63994	0.2
133.02838	0.5
134.03606	0.9
135.04390	0.4
135.08087	1.2
137.02319	1.1
138.03117	0.7
139.03906	0.7
145.02892	1.6
146.03210	0.2
150.30005	0.2
151.00294	0.5
151.03928	0.3
153.05481	100.0
154.05821	4.9
160.01572	4.0
161.02396	2.0
161.04405	0.5
163.03911	0.4
163.05983	0.5
165.83055	0.2
169.01273	0.3
175.03937	4.4
175.18477	0.2
177.01833	0.5
177.05516	0.4
179.03435	0.6
179.07056	2.6
193.04988	0.7
195.96887	0.2
243.02925	0.9
254.43172	0.2
270.01611	0.4
271.02472	0.7
273.41226	0.2
285.03998	0.5
300.02664	0.3
301.03598	0.5
314.04379	0.9
315.04993	0.6
323.07751	0.7
337.09320	1.1
417.25006	0.6
477.09857	1.3
477.14740	2.5
478.14459	0.5
486.77643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63902	0.7
55.01759	1.1
55.68692	0.8
58.00466	1.0
59.01250	100.0
60.01580	1.4
71.01248	19.9
71.01611	1.3
71.02138	1.5
72.99178	1.1
73.02817	5.5
75.89060	0.9
83.01253	1.7
85.02824	6.0
87.00751	0.7
89.02319	10.3
95.01283	0.9
96.95887	1.1
97.02830	1.8
98.02407	0.7
99.00780	2.2
101.02301	6.9
103.03880	1.0
113.02327	5.4
114.74919	0.7
119.03432	1.3
121.02847	15.4
121.15212	0.8
122.03156	0.9
125.02348	5.1
133.04993	4.1
135.04420	2.2
153.01839	4.4
157.04985	1.3
159.02930	1.1
161.04448	12.8
166.06264	85.1
167.06558	4.9
168.04210	3.0
181.08621	82.2
182.08958	5.1
191.05487	1.3
233.06677	3.3
235.08157	7.2
293.08884	1.2
342.13815	0.8
417.17575	4.0
474.01746	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2132
Annotation	Divaricin B
Peak:m/z	Relative Intensity
53.74469	0.1
54.14738	0.2
55.01755	0.3
57.03315	0.2
59.01253	3.5
61.08760	0.2
61.98702	0.4
69.29737	1.2
71.01251	2.4
72.87062	0.1
73.02820	0.7
78.95770	0.2
82.96427	0.1
82.99649	0.1
83.01236	0.3
85.02826	1.2
87.00729	0.4
89.02323	0.6
93.03326	0.2
93.32073	0.2
95.01271	0.2
98.19798	0.3
99.00754	0.4
101.02314	1.4
101.78960	0.2
113.02348	1.1
117.03351	29.5
118.03668	1.3
119.04917	8.2
120.05247	0.5
121.02863	0.3
123.04401	0.2
125.02342	0.1
135.77826	0.1
137.02425	0.1
145.02856	100.0
146.03197	5.2
156.27032	0.2
161.04472	0.5
161.05901	0.3
163.03925	10.8
164.04230	0.6
182.64972	0.2
197.11794	0.6
205.05022	0.5
235.06111	0.2
243.03040	0.2
261.96793	0.1
265.07175	0.4
271.02441	0.3
278.53088	0.2
285.04065	0.2
307.08261	0.3
309.20856	0.7
333.40433	0.2
367.10037	0.2
459.20529	0.7
477.21292	40.3
478.21631	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	477.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51646	0.2
55.01754	0.4
55.87284	0.2
57.03310	0.3
59.01252	16.8
61.98707	7.1
69.76941	1.1
71.01257	4.8
72.99191	0.4
73.02825	2.9
83.01268	0.7
85.02831	2.4
89.02309	2.0
93.03327	0.4
95.01267	0.6
95.70980	0.2
97.02874	0.3
97.80084	0.2
98.19857	0.4
99.00758	0.3
101.02345	2.1
103.03865	1.2
108.02083	0.3
113.02341	1.6
116.04320	0.3
117.03356	30.0
118.03678	1.4
119.03431	0.6
119.04918	7.6
120.05255	0.4
121.02859	0.6
123.04403	0.4
138.01875	1.4
145.02861	100.0
146.03201	6.0
151.00290	0.3
161.04472	1.1
161.06013	0.8
163.03922	8.2
164.04259	0.4
169.28571	0.3
174.38977	0.3
177.05486	0.5
193.94614	0.3
205.04959	1.6
206.05540	0.2
235.06136	0.5
243.02950	0.3
265.07089	1.3
301.03522	0.3
314.04156	0.3
417.28775	1.5
435.29614	1.1
477.21298	46.8
478.21692	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	477.2133
Annotation	Divaricin B
Peak:m/z	Relative Intensity
57.03334	0.4
58.00463	0.3
59.01254	20.3
61.98703	6.9
65.85535	0.3
71.01258	5.1
71.54788	0.3
72.99189	0.4
73.02820	7.5
83.01261	0.8
85.02825	3.5
86.60783	0.2
87.00772	0.4
89.02313	2.1
89.03849	0.3
93.03394	0.3
95.01274	0.5
99.00780	0.3
101.02328	2.7
103.03897	2.5
113.02325	1.5
117.03352	29.4
118.03655	1.2
119.03472	0.5
119.04922	7.8
121.02843	0.6
123.04372	0.6
125.02305	0.3
133.06503	0.3
135.04407	0.3
138.01875	2.2
139.02167	0.2
144.83798	0.3
145.02858	100.0
146.03200	5.2
147.04448	0.3
150.05591	0.3
153.05531	0.3
159.02922	0.4
161.04485	1.1
161.05971	0.7
163.03925	8.4
164.04300	0.4
177.05417	0.3
179.05415	0.3
205.05032	1.5
235.06209	0.6
243.02930	0.3
265.07141	1.1
271.02310	0.4
301.03259	0.3
314.04214	0.5
331.17752	0.3
338.08875	0.3
417.19620	0.3
417.28568	1.2
435.29587	1.3
477.21289	50.2
477.29623	1.8
478.21622	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	477.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00027	1.1
55.01754	5.9
56.60918	0.9
57.03315	6.8
58.00459	2.4
59.01253	100.0
60.01576	2.2
61.98705	9.8
69.03322	1.6
69.75845	0.9
71.01256	84.8
72.01593	1.7
72.99184	4.6
73.02822	29.6
75.00748	2.8
81.03323	1.1
83.01262	14.0
85.02826	41.1
86.03130	1.1
86.24609	1.1
87.00771	5.6
87.01202	1.0
89.02312	24.1
93.03324	2.4
95.01259	6.7
97.02852	4.7
99.00767	11.5
101.02324	74.9
102.02664	1.4
107.04923	2.0
108.08052	3.0
109.02838	4.4
111.00762	1.6
113.02335	36.2
117.03362	5.3
119.03395	10.0
119.04893	2.1
121.02811	2.6
123.00769	1.1
123.04431	6.2
124.01461	1.1
125.02326	4.3
125.70618	0.9
129.01802	2.3
131.03389	4.8
132.04417	1.3
133.02823	2.0
135.04416	6.7
137.02321	2.4
139.00290	5.6
139.03940	1.9
139.11150	2.8
143.03410	6.2
145.02859	15.5
146.03166	1.3
147.04387	1.4
149.02356	3.0
149.06091	1.1
150.03123	1.6
150.05566	2.0
150.32571	1.0
151.00258	2.1
151.03899	3.8
152.07074	2.8
153.01828	1.1
153.05469	4.3
154.02609	5.5
159.02913	7.1
161.02316	3.4
161.04471	43.1
161.05821	1.9
162.04877	1.9
163.03897	2.8
165.01912	1.1
165.09114	1.6
167.03398	1.7
169.01207	1.2
169.04919	1.4
175.03967	1.7
177.01869	2.1
177.05481	1.9
179.03455	7.6
179.05530	5.9
181.04936	1.3
183.10214	4.3
188.04823	1.3
195.06535	1.2
203.07069	3.2
205.05063	2.8
225.11163	1.2
227.03528	1.1
243.02946	5.6
245.08212	1.4
255.19922	1.1
257.04602	2.4
257.08209	1.6
270.01785	1.6
271.02490	6.7
285.04044	3.4
287.01880	1.5
289.07202	19.3
300.02621	2.4
301.03534	4.1
307.08255	4.5
314.04361	7.2
315.04883	2.7
315.08743	5.0
315.13666	3.4
315.18118	33.2
315.25528	1.1
316.18350	4.7
330.03848	2.0
331.04459	2.8
345.19113	4.6
361.09317	1.4
417.24963	19.3
418.25253	2.8
477.09567	10.6
477.23444	95.8
478.10654	3.0
478.23859	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	477.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29441	0.7
58.00467	2.2
59.01253	100.0
60.01575	1.6
61.97593	0.7
61.98707	1.6
70.40440	1.5
71.01256	35.0
72.01579	0.8
72.99187	2.8
73.02821	1.0
75.00746	7.7
83.01295	1.5
85.02820	5.5
87.00757	2.9
89.02320	61.5
90.02683	1.5
94.30080	0.7
95.01293	2.0
101.02325	19.6
113.02336	17.4
119.03397	24.0
119.04243	1.2
124.62641	0.6
125.02295	1.3
125.17451	0.6
131.03403	3.6
143.03392	5.1
149.04483	2.4
161.04472	7.9
179.05539	29.7
182.49512	0.7
231.11931	0.8
379.76587	0.8
386.44949	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	4.3
59.01252	100.0
61.98704	25.2
69.66397	6.1
69.66829	6.8
71.01254	54.8
71.91824	2.3
72.99194	10.4
73.02814	3.7
75.00726	3.5
83.01226	3.7
85.02824	11.5
87.00748	8.5
89.02323	54.8
91.00249	8.9
93.30209	2.0
95.01318	4.9
98.20562	3.0
101.02328	29.8
103.78561	1.9
109.02846	2.2
113.02331	24.4
113.77507	2.0
119.03400	27.4
123.04398	4.2
125.02345	2.3
137.02332	6.7
143.03416	9.2
161.04433	15.1
165.05443	2.8
166.13908	2.5
169.02513	10.5
179.05530	27.4
189.12764	8.7
195.87384	2.3
207.13849	7.5
265.59106	2.3
315.08847	2.9
381.19183	16.3
399.20358	14.6
400.20297	3.0
417.16360	3.5
417.21310	15.8
477.19275	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	477.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85551	1.0
59.01254	34.7
61.20628	0.9
70.97977	0.9
74.44678	0.9
97.06454	1.8
192.58641	0.9
192.62660	0.9
373.34503	4.5
374.34967	1.0
415.35800	25.0
416.36121	5.4
417.33734	27.3
418.34085	3.2
433.37155	1.0
477.35892	100.0
478.36206	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	478.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.2
60.01588	0.4
61.98705	100.0
67.33497	0.3
69.47703	1.5
69.48131	0.9
71.01260	2.0
72.99197	0.7
73.02834	0.4
85.02828	1.2
87.89787	0.3
89.02318	2.1
93.03329	0.4
100.92265	0.4
101.02331	1.0
115.19177	0.4
119.03432	0.4
121.02869	0.4
123.04436	1.4
125.02351	0.8
131.03470	0.8
137.02357	1.0
149.02380	0.5
149.04411	0.4
150.03160	1.4
151.00301	0.9
153.05533	1.3
155.41951	0.4
164.04729	1.6
165.05479	2.0
165.65532	0.3
167.03415	0.5
167.61740	0.4
178.99797	0.4
179.05606	0.4
179.07108	0.6
191.01881	0.6
195.06683	1.1
214.02675	0.8
243.02814	0.5
253.10703	0.4
259.02548	1.0
270.01852	0.6
271.02463	3.0
281.06723	1.2
287.01993	2.5
293.07849	0.4
294.75464	0.4
315.01617	1.0
316.02222	9.2
316.05682	0.5
317.03040	1.2
406.66379	0.4
431.17337	1.3
478.24249	0.4
479.08307	6.8
479.15482	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37838	0.2
57.38359	0.2
58.19348	0.2
59.01250	1.7
61.98705	100.0
62.98415	0.2
65.08789	0.2
71.01249	1.9
72.99200	0.4
73.02834	0.3
83.01273	0.3
85.02831	0.7
89.02303	1.0
95.01250	0.3
96.05461	0.2
99.00783	0.3
99.04376	0.2
101.02322	1.1
107.01271	0.3
108.02056	1.2
109.02864	1.2
109.56200	0.2
111.00792	0.6
113.02365	0.8
121.02896	0.2
122.03627	6.6
123.00752	0.5
123.04417	4.1
124.01556	0.5
125.02373	0.5
131.03427	0.2
135.04408	0.2
137.02373	1.1
139.00264	0.4
149.04442	0.4
150.03180	0.2
151.00307	0.9
152.01071	1.1
153.01842	2.0
161.02420	0.3
161.04477	0.3
164.04738	0.8
165.05450	0.3
166.02663	0.2
167.03409	4.4
167.52800	0.2
176.04880	0.2
181.05040	0.3
183.10223	0.2
271.02582	0.6
281.06659	0.6
287.02182	0.3
296.05490	0.4
297.06302	0.8
311.07782	5.1
311.11264	0.4
316.02249	0.9
317.06812	0.3
435.12961	12.0
447.09570	0.3
479.07751	0.4
479.12305	0.7
479.25272	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.5
57.58245	0.4
59.01250	6.2
61.98705	100.0
69.47480	1.7
69.47881	1.0
71.01262	3.9
72.99199	1.1
73.02834	0.9
75.00765	0.7
80.44601	0.4
83.01254	0.8
85.02835	1.5
87.00787	0.7
89.02323	3.2
97.02845	0.5
98.14854	0.5
99.00768	0.7
101.02324	2.8
113.02329	1.3
119.03433	0.6
123.04405	1.4
125.02342	1.2
137.02356	1.1
138.02606	0.5
149.02451	0.7
149.04507	0.5
150.05508	0.8
151.03918	0.8
153.01825	0.7
153.05566	0.6
161.04482	0.8
163.05019	0.5
164.79950	0.4
167.03455	0.6
204.08900	0.6
244.80678	0.5
270.10706	0.9
271.11050	0.6
273.11215	1.0
299.01883	0.6
316.02304	0.6
316.08997	0.8
418.16992	2.3
478.20206	0.8
479.08722	1.4
479.16342	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0849
Annotation	Gossypin
Peak:m/z	Relative Intensity
50.79594	0.7
57.03332	0.8
57.55667	0.6
59.01252	7.9
61.98703	4.6
63.02267	1.6
65.00200	5.6
67.01747	0.8
68.99665	1.3
69.03328	0.8
69.35078	1.0
69.35483	4.7
71.01261	6.1
72.99174	1.8
73.02802	1.0
73.04966	0.7
75.00751	0.8
76.68457	0.6
83.01276	3.3
85.02840	1.6
89.02316	3.3
91.01762	0.8
91.55112	0.7
93.03332	6.4
93.24815	0.6
95.01262	4.2
99.00740	1.6
101.02319	3.7
106.03939	0.7
107.01270	5.9
107.04855	1.0
108.02032	3.2
109.02831	3.7
109.99991	1.4
111.00765	11.3
113.02336	1.5
117.03371	3.4
119.04935	1.1
120.99593	0.9
121.02865	1.5
123.00766	4.7
123.04413	7.3
124.01591	3.4
124.04755	2.0
125.02354	5.6
127.00343	0.8
129.03316	0.8
130.04117	0.8
131.04929	1.0
132.02092	1.3
133.02856	5.1
134.03226	0.9
134.85263	0.7
135.00769	3.0
135.04384	2.5
136.01572	1.5
136.98715	2.2
137.02365	8.3
138.03094	1.6
139.00278	13.5
141.01843	1.2
141.03221	0.8
143.04935	2.6
145.02904	5.0
146.03207	1.0
147.00763	0.8
147.04417	1.1
149.02362	1.8
149.99487	2.4
150.99113	1.3
151.00276	17.6
151.03909	1.6
152.01079	4.3
153.01863	4.0
153.05490	5.2
154.05789	1.7
154.99765	1.7
155.04918	2.4
155.06056	1.0
155.10666	1.7
157.02852	0.9
158.03592	0.8
159.04469	5.0
161.02365	10.8
161.05963	1.5
162.02693	3.8
163.00240	3.5
163.02789	1.1
163.03987	0.8
164.01068	3.9
164.98215	1.7
165.01805	2.4
165.99005	1.5
166.99768	3.4
167.03433	1.3
168.00536	2.4
169.01335	2.6
171.04445	7.4
172.04832	0.6
173.02371	0.9
173.06068	1.1
174.03145	3.4
175.00310	1.0
175.03923	2.9
177.01819	1.0
177.99016	2.2
178.99782	15.2
179.03328	2.0
180.00270	0.9
181.98466	0.9
182.03664	1.0
182.05818	0.9
183.04434	2.7
185.02327	1.4
187.03957	5.6
188.04623	2.7
189.01872	3.8
189.05473	2.8
190.02705	0.9
190.99806	1.0
191.03320	0.9
192.00519	2.8
193.01340	2.1
194.99352	1.8
197.08049	1.5
198.03177	1.0
199.03917	6.1
199.09755	1.2
200.04404	0.9
201.01840	1.3
201.05612	1.6
203.03476	4.1
203.05075	0.7
205.01445	1.2
205.05016	1.1
206.99315	1.4
208.00021	2.2
209.00885	1.9
211.03876	1.3
213.01857	1.4
214.02606	3.6
215.03438	7.4
216.04224	4.8
217.01477	1.5
217.05002	15.6
218.02173	1.5
218.05405	1.4
219.02902	1.0
226.02573	1.0
227.03479	6.5
229.01501	0.8
229.05037	1.7
231.02971	5.6
232.03685	3.3
241.01419	1.3
242.02174	4.5
243.02982	13.2
244.03438	3.0
245.00890	1.9
245.04553	2.8
255.02962	9.1
256.03308	0.9
258.01657	0.8
259.02454	15.7
260.03030	2.0
266.60168	0.8
269.04648	1.1
270.01654	6.3
271.02472	48.3
272.03030	8.3
273.04071	4.5
281.06744	3.0
283.02502	2.7
284.03180	1.7
285.04050	3.6
285.07587	0.9
287.01978	19.7
288.02594	5.6
289.03543	2.3
295.08231	1.5
298.01212	1.1
299.01968	41.9
300.02472	7.4
301.03647	3.3
315.01541	1.2
316.02246	45.8
317.02933	26.3
317.10306	2.5
318.03369	2.2
323.07657	0.9
324.08041	1.4
325.08243	2.0
331.06592	0.7
359.06296	1.9
371.06311	1.1
379.10419	9.5
380.10623	1.0
419.22336	0.8
435.09393	1.5
451.09100	3.7
461.07199	3.2
462.07712	1.3
479.08310	100.0
479.14334	5.4
479.21490	6.0
480.08710	14.2
480.15173	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27985	0.7
59.01240	1.6
59.69926	0.7
63.02271	1.1
63.18989	0.7
65.00207	2.7
69.32129	4.9
69.32546	1.5
71.01259	1.6
72.93754	0.8
78.41817	0.7
83.01281	1.4
91.44250	0.8
91.58215	0.8
93.03378	1.1
95.01263	2.1
99.00765	0.8
101.02277	1.0
107.01263	3.1
108.02054	1.6
109.02843	4.0
109.99979	6.7
111.00766	3.2
123.00782	3.5
124.01588	3.7
125.02349	1.7
133.02844	0.9
136.01552	1.1
136.98708	2.3
137.02348	2.3
137.99471	0.8
138.03099	0.9
139.00290	7.3
139.03906	1.0
143.04890	0.9
146.02661	0.8
146.03664	1.5
148.01564	1.6
149.02345	2.0
151.00293	9.7
151.03893	1.4
152.01070	4.7
153.01846	1.6
155.04927	1.0
159.04428	1.3
161.02327	2.4
163.00272	4.1
163.03853	1.0
164.01035	3.2
165.01811	1.2
165.99020	5.3
166.99762	3.5
171.04414	2.0
173.02361	1.3
174.03152	1.7
175.03925	1.6
177.01845	1.0
178.99783	9.4
181.01445	1.1
183.04437	1.5
186.03188	1.3
187.03958	4.3
188.04546	0.9
189.01868	2.0
194.99388	0.9
197.02359	0.9
198.03133	1.7
199.03836	4.3
201.01878	2.7
201.05608	1.0
203.03415	2.5
205.01382	0.8
206.99315	0.8
208.00215	1.3
210.69156	0.9
213.01855	1.6
214.02625	4.1
215.03419	5.1
216.04276	1.4
217.01534	0.8
219.02879	0.8
221.77252	0.8
226.02728	1.2
227.03387	6.1
229.01370	1.5
230.01985	0.8
231.02907	4.2
232.03682	1.0
241.01381	1.8
242.02228	3.4
243.02974	11.1
244.03653	1.5
245.00917	1.0
246.01755	1.0
255.02954	5.5
259.02496	4.8
260.03229	0.8
270.01639	5.3
271.02487	33.7
272.03058	8.2
273.03973	4.5
285.07578	1.4
287.01993	18.4
288.02664	9.9
289.03210	1.8
298.01138	2.0
299.01953	23.3
300.02380	3.5
315.01462	1.5
316.02228	53.5
317.02960	33.8
317.10406	3.3
318.03311	2.9
435.09192	0.9
461.07404	2.6
479.08292	100.0
480.08722	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	3.8
61.73630	0.8
63.02279	1.2
65.00192	3.7
66.43011	1.0
67.01755	1.3
68.99686	1.2
69.37820	7.5
71.01273	2.2
77.12792	1.0
83.01269	2.2
87.00719	1.2
89.02323	2.1
91.01748	1.0
93.03334	1.3
95.01283	6.1
98.20496	1.8
101.02274	1.0
107.01283	5.5
108.02087	2.2
109.02846	8.3
109.99969	8.8
111.00777	5.9
119.01201	1.1
123.00792	6.7
123.04379	1.3
124.01607	5.8
125.02323	4.8
133.02841	2.4
135.00804	2.1
136.01555	1.0
136.98694	3.1
137.02341	4.9
137.99464	3.6
138.99359	1.5
139.00281	12.7
145.02808	1.5
146.03564	3.2
148.01559	3.1
149.02315	4.0
150.03133	3.5
151.00266	20.1
152.01064	9.1
153.01849	2.9
159.04407	2.6
161.02359	3.0
163.00301	5.3
164.01057	5.5
165.01859	0.9
165.05470	3.6
165.98962	9.5
166.99803	6.8
171.04430	2.3
173.02330	2.2
174.03111	2.7
175.03876	3.1
176.01006	1.0
178.99802	16.6
180.00223	1.4
183.04469	2.7
186.03067	2.3
187.03955	4.6
188.04355	2.0
189.01869	2.1
190.02551	1.9
190.99962	1.1
192.00562	1.6
193.01286	1.0
194.99387	1.0
195.06601	2.6
197.02344	1.2
198.03185	2.7
199.03940	8.0
201.01834	3.3
201.05505	1.6
203.03430	5.6
205.01270	1.1
207.99901	1.1
214.02626	5.0
215.03415	7.9
216.04137	2.3
217.04970	1.4
218.02055	1.2
219.02940	1.4
226.02705	2.9
227.03447	10.9
229.01381	2.4
229.05203	1.4
230.02219	2.0
231.02982	5.4
232.03566	1.3
241.01344	1.3
242.02122	9.3
243.02977	17.3
244.03540	3.2
245.00769	1.6
254.02136	1.2
255.03015	8.7
259.02493	7.5
260.03165	2.3
270.01700	11.0
271.02478	63.6
272.03113	12.2
273.03979	6.6
287.02008	31.6
288.02670	12.2
289.03278	1.2
298.01147	3.4
299.01971	48.5
300.02405	4.9
301.03674	2.1
303.04050	2.1
315.01416	2.8
316.02237	97.5
317.02942	46.2
318.03275	5.5
331.78012	1.0
343.06879	2.7
366.52121	1.2
461.07278	2.2
479.08267	100.0
480.08627	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	479.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20175	0.3
59.01255	1.5
61.98697	0.9
63.02232	0.3
65.00206	0.7
71.01246	0.6
71.11511	0.5
72.99168	1.1
77.46721	0.3
83.01271	0.3
85.02816	0.8
89.02339	0.4
91.01751	0.3
100.12528	0.3
101.02306	0.6
107.01276	1.3
109.02837	0.7
123.00779	0.5
124.01564	2.6
125.02334	0.7
135.00809	0.7
135.04465	0.3
136.01552	0.7
137.02383	1.9
145.02806	0.4
148.01595	0.6
149.02348	0.4
150.03148	0.7
151.00278	6.9
152.01006	1.1
153.05539	0.6
163.00247	1.6
164.01074	1.7
165.01804	0.6
165.05486	0.9
175.03824	0.3
178.99792	7.3
187.03951	0.4
189.02055	0.3
192.00499	0.5
195.06613	0.5
199.03845	0.4
203.03401	1.0
204.04121	0.6
213.01837	0.3
214.02641	6.9
215.03220	0.7
227.03535	0.8
231.02887	0.4
241.01414	0.4
242.02177	6.1
243.02989	3.5
244.03619	0.6
259.02475	6.4
260.02908	0.7
268.50583	0.3
270.01697	7.9
271.02469	40.3
271.38110	0.3
272.02850	3.9
287.01971	23.1
288.02448	3.0
299.01917	0.7
299.09222	0.5
315.01489	0.7
316.02231	100.0
317.02829	22.7
317.06711	0.7
318.03418	1.3
479.08313	58.0
480.08704	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	479.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42670	1.3
50.46129	1.2
57.03320	3.6
58.45202	1.3
59.01251	33.8
61.98703	9.4
65.00188	2.7
67.49841	1.3
68.99667	1.6
71.01255	20.6
71.54446	1.9
72.99162	2.8
73.02805	6.5
75.00719	2.0
81.03333	3.0
83.01246	5.0
85.02821	6.7
87.00726	1.8
89.02319	10.7
91.01764	2.1
93.03337	2.8
95.01284	6.7
96.99212	1.6
97.02848	1.4
99.00743	4.2
101.02322	12.6
101.05881	1.6
107.01294	4.2
108.01372	2.5
108.02058	40.5
109.02856	18.9
109.99962	4.9
111.00786	7.7
113.02317	8.2
115.07539	1.5
119.03397	1.8
119.04960	2.0
120.99508	3.0
121.02845	3.5
122.03516	1.7
123.00793	6.9
123.04406	42.5
123.08071	1.5
124.01570	6.7
125.02353	9.4
131.03326	2.2
133.02844	2.4
134.03679	1.9
135.04388	3.3
136.01576	3.1
136.98730	1.6
137.02330	15.8
137.05972	1.8
138.03087	2.9
138.05484	4.3
139.00255	6.0
139.03871	3.2
140.01042	1.7
145.02872	2.4
147.00868	1.5
147.04385	1.8
149.02338	4.8
149.04494	1.9
150.03087	2.8
151.00272	20.1
151.03879	5.8
152.01054	72.6
153.01872	25.6
153.05487	23.2
154.01294	3.1
155.03381	1.7
159.04391	1.8
160.01555	2.4
161.02408	7.9
161.04449	4.3
161.05846	1.6
163.00269	3.6
163.03922	2.5
164.01048	3.9
164.03441	8.9
164.04601	1.5
165.01839	3.4
165.05457	1.7
165.98936	6.6
166.02589	6.5
166.99692	3.9
167.03410	100.0
168.03740	3.8
174.03169	1.9
175.03940	4.6
177.01843	5.3
178.99802	8.4
179.03410	4.3
181.05002	8.4
183.10190	2.2
187.03885	2.7
191.03342	1.3
191.05481	2.8
195.03110	1.6
196.23004	1.9
196.57140	1.8
199.03877	4.1
201.01871	2.3
203.03349	3.1
211.03802	1.9
213.01744	1.6
214.02550	4.4
215.03427	4.1
221.04378	1.8
225.14914	1.5
227.03426	6.0
227.12746	4.9
231.03024	1.7
241.01375	1.9
242.02168	5.7
243.02962	4.9
244.03523	3.8
245.00742	1.6
255.02988	3.3
257.04510	2.8
259.02405	3.2
260.03110	2.1
270.01736	8.7
271.02472	29.4
272.03137	9.5
273.03931	4.4
285.07596	1.7
287.01965	14.8
287.14944	9.8
288.02533	5.8
289.03479	1.5
296.05450	2.4
297.06140	42.9
298.01114	3.4
298.06342	2.6
299.01959	24.6
300.02310	4.4
311.07700	34.5
312.08041	2.7
315.10904	3.7
315.98480	3.2
316.02209	50.9
317.02939	32.6
317.06781	2.4
317.10220	9.9
318.03351	1.8
343.06842	2.6
391.46045	1.5
461.06607	3.2
479.07230	70.8
479.22247	7.8
479.32254	5.5
480.07828	13.2
480.22418	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	479.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50059	0.2
59.01258	4.2
61.98704	2.5
64.17839	0.3
69.03323	0.5
69.45080	0.6
69.45496	1.2
71.01253	3.3
71.79888	0.2
72.99181	0.5
73.02824	1.0
75.00771	0.4
81.03332	1.3
83.01250	0.6
85.02830	1.6
87.00762	0.3
89.02325	2.6
93.03341	1.1
95.01270	1.0
97.02839	0.3
99.00761	0.8
101.02341	1.8
107.01268	0.4
107.04859	0.5
108.02057	100.0
109.02896	13.5
110.03201	0.6
111.00773	0.5
113.02335	0.8
117.03352	0.6
119.04947	0.3
121.02835	1.1
123.00768	0.9
123.04421	4.8
125.02341	1.4
131.03415	1.0
133.02873	0.8
134.06007	0.9
135.00789	0.4
135.04443	0.8
137.02339	0.9
139.00247	0.3
139.03893	0.5
145.02867	1.7
146.03142	0.4
149.02373	0.4
149.04471	1.2
149.06015	0.3
150.03009	0.3
151.00256	0.9
151.03951	2.0
152.01062	53.2
153.01854	17.1
153.05450	0.7
154.02176	0.7
161.02318	0.6
161.04482	0.4
163.03949	1.5
165.01869	1.5
166.02580	0.4
167.03413	11.3
168.03699	0.5
177.01860	1.0
178.04987	0.6
178.99805	0.6
179.03383	0.7
181.05028	2.4
185.11681	0.4
191.05501	0.6
192.06491	0.3
205.04950	0.4
209.04483	0.3
225.04059	0.4
227.03473	0.3
243.02811	0.4
255.02931	0.4
266.28250	0.3
270.01761	0.3
271.02521	0.5
297.06006	0.4
299.02042	0.4
309.09140	0.3
311.07874	1.8
316.02081	0.4
317.02982	0.4
435.12997	0.3
479.11948	68.6
480.12308	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	479.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45648	0.8
51.93044	0.9
57.03313	1.9
59.01254	26.3
61.98704	4.8
63.02255	0.8
65.00195	1.2
65.42408	1.0
67.01782	1.0
67.63890	0.8
67.96921	0.8
68.99696	1.2
71.01257	20.3
71.54340	0.8
72.99187	2.1
73.02833	4.9
74.02339	1.7
75.00783	1.2
81.03339	1.5
83.01277	3.2
85.02822	8.8
87.00741	2.0
89.02325	8.8
91.01793	1.3
93.03336	44.3
94.03667	1.4
95.01257	4.6
95.04910	1.9
99.00766	2.7
101.02326	12.7
107.01259	1.6
107.04956	1.4
107.48609	0.9
108.02061	4.5
109.02842	21.7
111.00764	2.9
113.02319	6.9
119.03396	1.9
119.04874	2.1
120.99519	3.4
121.02859	7.1
122.03601	3.7
123.00796	7.1
123.04407	41.8
124.01556	2.9
124.04742	2.0
125.02359	4.3
131.03400	1.5
133.02870	2.0
135.04416	3.8
136.01567	8.5
137.02348	82.7
137.05977	15.3
138.02731	3.0
139.00267	3.1
139.03915	5.9
146.03638	3.5
147.04398	1.8
149.02351	5.5
149.04385	1.1
150.03091	1.2
151.00281	5.0
151.03931	10.0
152.00999	2.7
153.01845	22.0
153.03064	1.2
153.05489	8.6
155.03490	0.9
161.02368	3.7
161.04482	6.3
161.05893	1.6
163.03951	1.2
164.04645	2.9
165.01828	1.7
165.05507	8.2
165.98958	1.1
166.02654	1.0
166.06271	8.9
167.03413	100.0
168.03802	4.0
173.02298	1.0
175.03902	1.0
177.01877	2.1
178.99792	3.0
179.03423	24.3
179.07042	2.8
180.03993	1.1
181.01343	3.1
181.08620	4.0
182.02089	2.4
182.05792	1.6
183.02899	2.5
185.11630	1.0
191.03329	0.9
191.05620	1.7
193.04980	2.1
197.04460	4.6
199.03870	1.3
209.04459	5.9
225.04147	1.0
225.06624	0.9
225.11302	1.5
227.03465	1.7
239.05576	15.9
240.08841	0.8
242.02046	1.3
243.02968	2.3
255.02898	1.6
255.11353	4.7
259.02496	1.1
270.01727	2.0
271.02448	8.0
272.03168	2.7
273.03897	0.9
281.06717	1.7
287.02066	3.3
287.14890	2.3
297.06131	11.8
299.02118	5.7
311.07764	4.5
316.02209	12.3
317.03064	7.8
326.06451	1.1
327.07181	2.7
327.10825	2.8
329.08994	2.7
341.08710	9.2
342.09067	1.4
347.17014	2.9
416.51086	1.1
461.20108	1.5
468.35391	0.9
479.08380	14.4
479.15500	79.8
479.21570	3.6
480.08710	2.3
480.15897	13.2
481.08246	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75827	0.2
59.01253	1.5
61.98688	0.3
69.39390	1.3
71.01257	0.9
73.02814	0.4
79.96160	0.2
81.03326	0.4
83.01252	0.3
85.02826	0.2
89.02342	0.5
93.03337	0.7
94.36987	0.2
95.01286	0.7
95.04893	1.4
98.19875	0.4
101.02328	0.5
101.05972	0.4
108.02077	0.3
121.02850	0.6
122.03634	1.4
123.04414	88.9
124.01575	0.2
124.04752	3.7
131.03386	0.2
134.06015	0.2
135.04460	0.2
137.02350	0.5
146.57881	0.2
149.04469	0.3
150.24237	0.2
151.00299	0.4
153.05484	100.0
154.05832	4.5
154.07034	0.3
154.99751	0.5
166.99765	0.2
170.52432	0.2
177.01878	0.3
181.04988	1.6
194.99428	0.2
195.06541	0.3
233.04582	0.2
243.02974	0.2
297.10190	0.2
315.01520	0.5
333.02652	0.2
359.06467	0.2
394.29803	0.2
479.07907	0.4
479.15326	0.4
479.32260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45648	0.8
51.93044	0.9
57.03313	1.9
59.01254	26.3
61.98704	4.8
63.02255	0.8
65.00195	1.2
65.42408	1.0
67.01782	1.0
67.63890	0.8
67.96921	0.8
68.99696	1.2
71.01257	20.3
71.54340	0.8
72.99187	2.1
73.02833	4.9
74.02339	1.7
75.00783	1.2
81.03339	1.5
83.01277	3.2
85.02822	8.8
87.00741	2.0
89.02325	8.8
91.01793	1.3
93.03336	44.3
94.03667	1.4
95.01257	4.6
95.04910	1.9
99.00766	2.7
101.02326	12.7
107.01259	1.6
107.04956	1.4
107.48609	0.9
108.02061	4.5
109.02842	21.7
111.00764	2.9
113.02319	6.9
119.03396	1.9
119.04874	2.1
120.99519	3.4
121.02859	7.1
122.03601	3.7
123.00796	7.1
123.04407	41.8
124.01556	2.9
124.04742	2.0
125.02359	4.3
131.03400	1.5
133.02870	2.0
135.04416	3.8
136.01567	8.5
137.02348	82.7
137.05977	15.3
138.02731	3.0
139.00267	3.1
139.03915	5.9
146.03638	3.5
147.04398	1.8
149.02351	5.5
149.04385	1.1
150.03091	1.2
151.00281	5.0
151.03931	10.0
152.00999	2.7
153.01845	22.0
153.03064	1.2
153.05489	8.6
155.03490	0.9
161.02368	3.7
161.04482	6.3
161.05893	1.6
163.03951	1.2
164.04645	2.9
165.01828	1.7
165.05507	8.2
165.98958	1.1
166.02654	1.0
166.06271	8.9
167.03413	100.0
168.03802	4.0
173.02298	1.0
175.03902	1.0
177.01877	2.1
178.99792	3.0
179.03423	24.3
179.07042	2.8
180.03993	1.1
181.01343	3.1
181.08620	4.0
182.02089	2.4
182.05792	1.6
183.02899	2.5
185.11630	1.0
191.03329	0.9
191.05620	1.7
193.04980	2.1
197.04460	4.6
199.03870	1.3
209.04459	5.9
225.04147	1.0
225.06624	0.9
225.11302	1.5
227.03465	1.7
239.05576	15.9
240.08841	0.8
242.02046	1.3
243.02968	2.3
255.02898	1.6
255.11353	4.7
259.02496	1.1
270.01727	2.0
271.02448	8.0
272.03168	2.7
273.03897	0.9
281.06717	1.7
287.02066	3.3
287.14890	2.3
297.06131	11.8
299.02118	5.7
311.07764	4.5
316.02209	12.3
317.03064	7.8
326.06451	1.1
327.07181	2.7
327.10825	2.8
329.08994	2.7
341.08710	9.2
342.09067	1.4
347.17014	2.9
416.51086	1.1
461.20108	1.5
468.35391	0.9
479.08380	14.4
479.15500	79.8
479.21570	3.6
480.08710	2.3
480.15897	13.2
481.08246	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.8
59.01250	22.1
61.98710	10.8
65.00188	1.7
67.01749	2.4
68.99683	2.4
69.03330	1.4
69.23128	5.1
69.23552	8.9
71.01258	20.7
72.99171	2.4
73.02798	6.1
75.00714	1.4
81.03320	3.9
83.01242	4.6
85.02819	8.4
87.00746	3.0
89.02306	6.1
91.01751	3.0
93.03341	21.7
94.03592	1.3
95.01250	5.8
99.00724	2.8
101.02334	11.0
107.01270	6.6
108.02076	9.5
109.02846	6.9
111.00782	6.9
113.02303	5.4
119.03412	2.4
120.99543	2.6
121.02853	5.1
122.03647	10.9
123.00755	8.0
123.04408	23.8
124.01532	2.4
125.02334	8.3
125.35274	1.3
135.04367	2.1
136.01515	4.4
137.02351	51.5
138.03137	2.1
139.00264	3.1
145.02849	1.9
151.00279	16.3
151.03812	3.6
152.01076	16.3
152.04706	59.1
153.01915	10.3
153.05205	4.3
154.02513	1.3
161.02374	2.0
161.04440	2.1
163.00252	1.5
163.03993	2.4
164.01019	3.3
165.01808	2.8
167.02121	2.9
167.03419	38.4
167.07079	40.7
170.01660	1.4
178.99751	2.4
179.03438	4.5
179.06999	1.4
181.04730	1.6
182.05772	12.2
183.46713	1.3
187.03920	2.2
188.04718	1.4
191.05467	2.5
195.02855	2.4
197.08138	8.6
209.04529	2.2
217.04909	2.0
243.02972	2.8
252.06435	1.5
255.02798	3.0
259.02441	3.0
271.02417	6.3
272.02969	2.0
281.06653	11.4
282.07169	2.2
287.01935	3.4
296.05450	3.3
299.02005	8.3
300.02438	1.9
311.04236	3.1
311.07727	58.1
312.08041	5.3
316.02225	9.6
317.03027	8.1
317.06647	2.2
317.10226	16.9
327.10834	3.4
379.10510	2.1
464.13370	1.5
479.08295	19.9
479.15463	100.0
479.21472	5.2
479.25977	3.7
479.32449	2.7
480.08731	3.9
480.15781	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	479.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	1.2
61.42122	1.1
69.51604	7.7
78.76644	1.2
83.90444	1.1
96.95909	2.7
108.02020	1.2
119.05112	1.1
121.02849	4.3
123.04435	1.4
128.68628	1.1
135.04425	5.1
136.05165	1.5
147.04462	2.4
148.05234	3.7
149.05957	2.1
159.04448	2.6
159.08052	1.1
161.06004	3.5
162.06758	2.1
163.07495	1.7
168.36040	1.2
173.05963	4.0
174.06760	2.2
175.07498	2.2
186.06805	1.7
187.07642	5.5
188.08331	2.7
189.09064	1.7
213.08949	1.3
215.10768	3.2
257.15491	10.8
258.15927	1.6
259.19229	1.3
279.26563	1.1
282.09055	2.1
284.17841	2.2
285.18509	1.4
297.11371	2.2
337.14514	1.8
388.20551	2.1
405.20850	2.0
420.23059	4.2
435.25406	100.0
436.25757	15.7
437.32617	2.0
479.34116	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.2
60.56774	1.5
61.98679	1.7
63.66265	1.6
71.53819	2.2
80.59458	1.7
96.95889	4.8
99.04422	1.7
100.85936	1.8
109.02777	1.7
121.02859	3.2
123.04403	1.7
134.62697	2.1
135.04408	8.4
136.05226	4.8
137.02348	2.7
147.04398	1.8
148.05197	5.9
152.99522	4.3
159.04419	3.5
160.05234	1.9
161.05974	2.6
162.44206	1.7
163.07605	5.9
173.05959	3.4
174.06723	2.1
186.06816	2.9
187.07568	12.5
188.08344	6.9
189.09193	2.1
211.13283	5.8
215.10779	2.6
244.14761	2.1
245.04337	3.8
251.20099	3.3
255.23280	5.1
257.15509	15.6
258.16034	2.9
270.16162	14.2
271.16571	1.9
285.18634	17.4
286.18848	2.4
297.11096	1.8
382.20499	1.9
405.20761	3.5
420.22849	9.3
421.23325	2.1
435.25427	100.0
436.25760	23.6
479.24146	4.8
479.33612	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.4
57.03324	1.2
58.00472	0.7
59.01253	28.9
61.98700	5.2
65.00171	0.5
71.01254	21.9
71.54638	0.7
72.99176	2.0
73.02822	3.0
75.00748	1.2
81.03298	0.7
83.01244	3.1
83.04881	0.6
85.02827	5.1
87.00753	2.7
89.02316	11.4
93.03349	4.9
95.01257	2.6
97.02863	0.6
99.00764	1.4
99.08021	1.5
101.02334	12.6
108.02061	1.5
109.02837	3.2
111.00731	1.0
113.02326	6.3
113.09641	1.4
114.02638	0.9
114.31342	0.5
117.03399	0.6
119.03420	3.9
120.80114	0.5
121.02840	0.8
122.03640	0.8
123.00771	2.8
123.04410	12.9
124.01537	2.1
124.04753	0.7
125.02327	2.3
131.03381	1.0
132.02107	0.7
133.02867	0.8
134.03619	1.5
135.04384	0.9
137.02339	8.2
137.05972	1.2
139.00246	0.6
139.03874	0.8
145.02879	1.6
149.02344	1.1
149.05974	1.0
151.00291	1.6
151.03908	1.1
152.01047	1.1
153.01875	2.7
153.05482	15.9
154.05884	0.7
155.64598	0.6
160.01579	3.3
161.02200	3.0
161.04379	0.8
161.99657	0.6
163.03951	1.1
167.03401	2.3
175.03969	3.1
176.04321	2.0
177.01939	0.6
177.04399	0.9
178.99797	1.8
181.04950	1.6
185.11707	0.9
189.01895	0.8
191.05507	0.8
193.05038	0.9
205.04959	0.8
223.04289	0.5
237.18597	2.8
239.16515	10.3
243.03175	0.6
255.19621	11.1
256.19836	0.6
257.17575	29.5
258.17807	2.6
269.17520	0.6
271.02499	2.1
287.02020	1.6
299.01971	1.3
315.01486	1.2
315.10617	0.8
316.02277	1.6
317.02948	1.1
339.10144	0.9
401.21814	0.9
417.24976	4.7
418.25052	0.9
419.22867	27.4
420.23117	3.2
443.22742	0.9
461.23895	4.4
479.08655	2.9
479.14798	5.0
479.24991	100.0
480.15298	0.8
480.25314	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	479.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	4.7
57.03325	5.0
58.00464	2.0
59.01252	37.3
60.01590	0.7
61.01678	0.4
61.98705	8.6
67.01758	0.3
69.03331	1.4
69.20867	0.9
69.21268	2.5
71.01254	56.0
72.01620	0.7
72.99185	3.2
73.01698	0.4
73.02822	19.2
74.03178	0.4
74.89996	0.4
75.00749	1.7
83.01259	10.4
85.02825	28.0
85.99978	1.3
86.03172	0.5
87.00755	4.3
87.83037	0.4
89.02317	13.1
93.03343	1.4
95.01261	4.8
96.95919	0.5
97.02836	2.0
98.02340	0.4
99.00763	9.7
101.02325	46.9
101.05947	3.5
102.02663	1.5
107.01331	0.4
108.02067	1.0
109.02853	1.6
111.00771	5.6
113.02338	21.7
114.02681	1.0
115.03920	0.5
117.03382	0.5
119.03411	3.6
119.04912	1.3
121.02801	0.5
123.00800	0.5
123.04426	4.1
124.01566	2.0
125.02348	3.2
129.01833	1.7
129.09125	1.0
131.03400	2.4
132.02058	0.9
133.02829	0.9
134.03601	0.4
135.04437	0.8
137.02350	1.6
139.00278	0.7
139.03912	2.6
140.01068	0.6
141.01837	1.2
143.03398	2.8
143.10703	0.9
145.02882	2.6
149.02333	1.1
149.04474	1.5
150.03159	0.4
151.00313	0.6
151.03909	1.1
152.01093	0.8
153.01846	0.7
153.05482	4.8
154.99797	0.4
155.03363	0.5
159.02901	6.4
160.01579	1.4
161.02379	0.9
161.04463	19.3
161.27249	0.4
162.04793	0.7
163.03894	1.6
175.03979	2.4
177.01862	5.2
179.03419	0.8
179.05594	0.4
181.01262	0.4
185.11806	0.5
191.05539	1.3
193.04997	0.8
195.71867	0.4
203.06978	0.4
205.03510	0.9
255.02899	0.9
257.17667	0.8
271.02463	1.1
282.01569	0.4
289.07205	1.2
290.07541	1.7
293.08975	0.5
295.02426	0.9
296.03140	0.5
298.49509	0.4
315.25562	0.5
316.02219	0.5
316.18314	0.5
317.02911	0.4
317.26923	9.7
318.27332	1.0
337.09561	0.5
347.17035	1.7
347.20898	0.6
359.27853	0.4
407.72568	0.4
419.22745	5.3
447.07114	2.3
448.07935	0.6
479.09631	1.2
479.32251	100.0
480.25745	0.6
480.32623	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	479.3379
Annotation	24-epi-Brassinolide
Peak:m/z	Relative Intensity
51.30338	0.4
57.03322	1.1
59.01243	1.6
62.10609	0.5
69.34305	1.5
69.34728	2.0
71.01247	1.8
84.02844	0.4
96.65078	0.4
96.95836	0.7
109.06469	1.1
121.06496	0.7
140.36884	0.5
154.64861	0.4
341.28436	7.2
342.28876	1.4
343.30042	59.0
344.30380	8.3
345.31592	20.2
346.31927	3.5
357.27872	2.2
357.31799	0.8
363.32623	0.7
371.33102	0.6
373.34692	12.0
374.35117	1.8
375.29037	0.9
377.30615	4.5
378.31271	0.5
389.30630	4.5
390.31274	0.8
391.35843	1.6
399.32794	0.6
417.33725	41.6
418.34088	7.2
435.34921	2.4
479.33777	100.0
480.34131	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25156	0.6
55.01760	0.8
56.60505	0.6
57.03324	1.9
59.01254	26.6
61.48262	0.7
61.98705	100.0
62.63937	0.6
66.39413	0.8
71.01259	13.0
71.55010	1.0
72.99194	1.0
73.02829	3.5
83.01262	3.0
85.02822	5.0
87.00767	1.7
87.18851	0.7
89.02322	4.4
93.03350	0.6
93.44228	0.7
95.01287	1.4
99.00748	1.4
101.02332	8.8
102.02685	1.0
109.02863	0.9
111.00766	0.8
113.02322	4.5
123.04432	2.7
125.02348	2.4
131.03462	1.5
135.04401	1.1
137.02396	2.6
139.03925	1.5
142.83070	0.7
143.03442	0.8
145.02881	2.1
149.04492	1.3
151.03952	2.8
152.04326	1.2
153.01860	4.5
153.05525	3.0
159.02895	1.0
161.02393	0.9
161.04471	2.5
162.04752	0.7
163.03905	0.9
165.01907	1.3
167.03471	1.1
175.03995	1.3
177.01910	0.8
221.06726	1.1
225.03377	0.6
243.52931	0.7
275.16629	0.9
317.27011	0.8
331.17621	2.4
390.14017	1.2
479.32193	9.2
480.22318	1.2
480.32602	10.5
481.16818	0.6
481.21146	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	480.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.6
61.98703	100.0
69.53597	3.1
71.01271	3.0
73.02824	1.0
85.02816	1.1
89.02286	0.6
95.04943	0.9
97.77627	0.4
101.02332	1.9
109.02873	0.6
113.02313	1.0
122.03587	0.8
123.04411	52.7
123.76873	0.6
124.01561	0.7
124.04721	0.5
125.02357	0.5
130.22021	0.4
131.03444	0.8
137.02379	0.8
138.01881	2.2
139.03896	0.7
151.03961	0.7
153.05484	87.3
157.92955	0.5
161.02400	0.7
161.04482	0.8
167.03444	1.6
168.03763	0.8
175.03984	0.4
177.01868	0.7
194.84291	0.5
220.30824	0.5
255.15242	0.5
278.81467	0.4
289.16718	0.6
297.09903	0.8
315.10864	1.0
421.20547	0.8
445.20795	2.1
468.88031	0.6
481.18622	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	480.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.4
59.01251	4.0
61.98703	100.0
62.98405	0.5
67.01773	0.8
71.01265	2.9
71.03957	0.8
73.02832	0.7
83.01248	0.6
83.45076	0.3
85.02828	1.5
87.00771	0.6
89.02350	1.5
93.03336	3.2
98.47028	0.5
101.02325	2.4
111.04425	0.6
113.02335	1.3
123.04409	2.1
124.01599	0.5
125.02358	0.6
131.03482	0.4
134.20702	0.4
137.02361	1.2
139.03934	1.2
145.02844	0.7
146.82077	0.6
149.04454	0.7
153.05481	2.3
153.08896	0.4
157.50327	0.4
161.04486	0.9
165.01880	0.7
173.04468	2.6
198.40273	0.4
216.00504	0.4
257.68265	0.4
284.03354	0.5
309.40826	0.4
421.28448	0.6
437.23825	0.4
449.14688	1.5
479.32327	0.5
480.32913	2.2
481.17270	1.0
481.23587	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0997
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
59.01258	5.5
61.98684	1.1
64.57768	0.6
65.00194	0.6
69.03320	2.7
69.21856	0.9
69.22264	4.8
71.00967	0.5
71.01256	5.9
73.02798	0.9
75.00755	0.7
77.16311	0.6
79.96318	0.5
81.03318	1.4
83.01216	1.7
85.02834	3.3
87.00735	0.7
89.02323	3.0
93.03307	1.7
95.01289	2.9
95.01752	0.5
97.02789	2.2
100.22343	0.6
101.02322	3.8
107.01252	2.6
108.02039	2.2
109.02792	2.2
109.99878	0.7
111.00699	2.2
112.98615	0.6
113.02299	2.3
115.40380	0.5
119.03354	1.1
119.04826	1.0
120.99479	1.9
121.02793	2.2
122.99931	1.0
123.00771	17.0
123.04430	4.5
124.00681	0.7
124.01569	20.3
125.02349	34.0
126.02616	1.1
127.00220	1.4
135.04391	0.7
136.01564	1.0
137.02368	5.1
138.03143	4.4
139.00212	1.8
139.03929	3.6
145.02829	2.8
149.02330	1.0
149.99498	27.3
151.00270	3.7
151.03787	2.5
152.00983	2.3
152.04359	0.9
153.01898	3.0
153.05423	1.3
154.02512	1.4
155.03314	1.1
161.02293	0.8
161.04512	0.8
163.03975	0.9
163.92255	0.7
165.01740	1.7
165.05283	0.6
166.02585	0.7
166.99696	1.3
167.02144	0.7
167.03424	11.4
168.00557	48.3
169.01289	5.2
169.04968	0.9
180.00024	0.6
181.01346	1.0
182.02065	2.2
183.02798	2.0
191.03726	0.8
191.05527	10.4
193.04988	1.0
197.04448	3.6
209.04390	0.9
211.02350	0.6
227.12830	0.8
269.06424	0.9
271.02570	0.9
272.02783	0.6
273.02927	0.7
287.01758	0.7
287.08011	1.1
300.02472	0.8
301.02707	1.0
311.07712	6.0
312.07870	0.8
313.05423	2.4
316.02112	0.7
317.02597	1.4
317.10156	1.8
318.02808	3.2
318.10596	1.3
319.03293	1.3
319.10687	2.6
327.07037	2.6
331.06842	5.2
341.08881	5.9
349.18298	0.6
449.08298	0.7
463.08395	2.5
463.25110	0.8
481.09525	100.0
481.22498	2.7
481.26651	2.7
482.09857	12.2
482.21017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.7
57.03323	1.7
59.01255	5.5
61.98705	2.6
68.99693	0.5
69.03322	1.8
69.78081	0.5
69.78400	2.3
71.01252	8.0
72.99194	0.4
73.02815	2.6
75.00742	0.7
75.72800	0.4
81.03349	2.2
83.01270	1.3
85.02824	6.1
87.00741	0.4
89.02322	1.8
93.03344	2.0
95.01265	4.0
95.04916	0.9
97.02813	0.8
99.00771	1.5
101.02325	4.4
101.05951	0.5
101.13040	0.4
102.86716	0.5
103.33972	0.4
108.02055	76.9
109.02848	49.4
110.03156	1.8
113.02343	3.3
113.05943	0.6
119.04909	0.5
121.02866	1.1
122.03617	1.2
123.00779	2.5
123.04410	68.7
124.01526	0.6
124.04749	2.7
125.02347	1.3
133.02901	0.6
134.03595	0.6
135.04388	0.7
137.02350	1.4
139.03883	0.8
139.11224	2.5
145.02888	2.0
149.02425	0.4
151.03923	1.4
152.01060	73.5
153.01878	19.7
153.05481	82.1
154.02223	0.9
154.05833	3.5
160.01578	1.0
161.02362	1.1
161.04460	1.6
163.03886	1.6
165.01820	1.2
175.03949	1.3
177.01785	0.6
183.10187	3.1
189.01945	0.6
266.66629	0.4
289.16589	1.8
315.07175	2.3
315.10690	0.9
341.06693	0.6
349.22427	0.6
364.03757	0.4
380.23773	0.4
407.07248	0.5
421.20715	1.3
480.32550	1.0
481.17105	100.0
482.17468	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	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25627	0.4
57.03320	1.9
59.01252	6.3
61.98702	5.3
68.99684	0.5
69.03313	1.0
71.01256	11.2
71.54681	0.4
72.99197	0.7
73.00960	0.4
73.02817	3.3
73.91953	0.5
75.00742	0.6
81.03339	1.5
83.01270	1.7
85.02824	8.4
87.00762	1.7
89.02312	4.2
93.03352	1.6
95.01268	4.0
97.02833	0.6
99.00762	1.6
101.02332	6.2
108.02056	56.2
109.02850	39.2
110.03188	1.5
111.00790	0.8
111.04395	0.4
113.02321	4.6
114.05511	0.6
117.03354	1.5
119.03384	0.6
119.04916	1.3
120.99545	3.8
121.02871	1.5
123.00770	2.9
123.04421	6.7
125.02377	2.4
131.03377	0.9
133.02859	0.6
135.00706	0.8
135.04446	2.8
137.02385	2.6
137.05971	0.7
139.00327	0.6
139.03915	0.6
145.02855	3.7
149.04460	1.6
149.05960	2.9
151.03932	2.1
152.01064	64.9
153.01857	16.5
153.05493	6.9
154.02228	0.7
161.02353	1.8
161.04495	1.8
161.05894	0.6
163.03960	1.7
165.01842	1.3
165.05473	0.6
175.03972	0.6
177.01923	1.2
179.03418	1.8
180.10098	0.5
181.04922	1.0
183.10194	1.7
187.03992	0.5
189.01845	1.0
191.03560	0.6
191.05551	6.6
202.06339	0.5
275.16501	0.8
284.02499	0.5
315.07242	5.2
315.10684	0.9
443.15414	0.6
481.17126	100.0
482.10687	1.0
482.17484	15.8
482.24387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60535	0.7
55.01765	1.1
57.03326	5.9
59.01259	6.9
61.98693	3.3
62.72747	0.7
70.38161	0.8
71.01257	11.1
71.31534	1.3
72.01558	0.8
73.02841	3.7
80.65581	0.7
81.03318	1.8
83.01256	2.7
85.02823	8.4
86.03163	1.1
87.00766	1.0
89.02312	3.2
93.03333	1.4
95.01278	3.9
95.04899	1.1
97.02821	1.1
98.49327	0.7
99.00768	2.5
101.02322	6.9
107.04897	0.7
108.02055	80.0
109.02849	45.5
110.03169	1.7
111.00742	1.7
113.02363	4.5
119.04913	1.0
121.02846	1.5
122.03631	1.6
123.00752	2.2
123.04413	38.3
124.01537	1.0
124.04719	2.5
125.02319	0.9
127.50539	0.7
134.03615	1.3
135.00735	0.8
135.04404	2.4
137.02361	1.4
139.07555	1.5
139.11255	1.2
145.02826	1.3
145.06479	1.0
151.03906	1.8
152.01062	77.1
153.01872	23.7
153.05478	42.0
154.05798	2.2
160.01579	1.3
161.02396	0.9
161.04440	1.8
163.03897	1.5
163.07582	1.3
165.09077	1.0
175.03888	0.9
181.08542	1.2
183.06470	1.2
183.10211	4.2
189.05505	1.3
190.95811	0.8
191.05511	1.5
199.01111	0.8
207.06517	1.3
225.07642	1.6
249.07733	2.0
275.16608	2.4
289.16724	0.9
310.18396	0.7
315.07248	6.1
315.10648	1.7
316.07501	0.9
327.10797	2.8
349.18277	0.8
363.02042	0.8
421.20758	1.8
480.32687	5.0
481.17160	100.0
481.32407	2.9
482.17493	16.2
489.43463	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22437	1.7
53.59634	1.6
54.02825	1.6
59.01256	10.6
61.98704	100.0
63.99156	1.8
67.01739	3.1
69.03326	1.7
69.41767	10.3
71.01241	8.1
73.02806	2.8
85.02837	3.1
87.00739	4.3
89.02315	5.4
89.57846	1.9
93.03343	20.5
97.16768	1.7
101.02327	7.1
102.39600	1.8
109.02815	3.0
111.04402	1.8
113.02324	2.5
117.03304	2.0
122.03614	2.3
123.04409	10.3
124.01525	4.7
125.02282	2.4
137.02342	5.4
138.01839	3.2
139.03903	6.1
145.02794	2.0
149.04446	2.7
149.85118	2.1
153.05499	14.3
154.15562	2.0
161.04446	2.0
165.01866	5.2
173.04466	14.7
174.73920	1.8
178.02641	3.3
189.01764	2.0
394.60986	2.8
449.14343	6.4
450.15277	2.2
481.17133	6.7
481.22202	13.2
482.22437	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.1
58.71231	0.1
59.01254	0.5
61.98707	0.3
69.24164	1.3
71.01260	0.5
81.03329	0.2
91.49226	0.1
93.03350	0.5
95.01266	0.2
95.04908	0.6
101.02331	0.3
106.60329	0.1
108.02077	0.3
109.02853	0.2
113.02365	0.3
121.02859	0.3
122.03650	0.8
123.04417	70.6
124.04746	2.7
125.02326	0.1
125.05966	0.2
131.03395	0.1
137.02354	0.4
139.00308	0.2
140.01056	0.2
145.02913	0.3
147.46999	0.1
151.03889	0.2
153.05490	100.0
154.05826	5.3
155.03360	0.2
161.02412	0.2
161.04500	0.3
183.10222	0.6
289.16699	0.2
297.09857	0.2
315.10867	0.8
316.11179	0.1
407.07675	0.4
421.20938	0.2
481.21344	1.6
482.21118	0.2
505.14771	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00920	0.2
54.30309	0.2
57.03335	0.5
59.01259	0.7
61.98719	0.4
69.44355	1.5
71.01250	1.0
73.02819	0.4
81.03349	0.5
83.34510	0.2
85.02835	0.7
88.53410	0.2
91.01936	0.2
93.03341	0.3
95.01283	0.6
95.04912	0.5
101.02337	0.7
101.06001	0.5
108.02052	7.3
109.02856	6.3
110.03178	0.3
113.02339	0.3
121.02881	0.4
122.03634	0.8
123.04417	62.0
124.04750	2.7
137.02373	0.3
139.11198	0.4
145.02855	0.3
152.01065	8.8
153.02022	2.7
153.05487	100.0
154.05815	4.8
163.03870	0.3
183.10197	0.6
297.09857	0.4
315.07382	0.4
315.10831	1.0
481.16919	15.1
482.17337	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	481.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89289	0.4
59.01250	6.7
61.98705	6.8
65.55389	0.4
71.01262	3.8
71.54475	0.5
71.54874	0.5
72.73818	0.4
72.99190	0.7
73.02833	1.0
83.01270	0.7
85.02850	1.9
89.02334	2.1
93.03343	1.0
95.01266	0.7
95.04911	1.3
99.00725	0.5
101.02308	3.1
105.01971	0.4
108.02060	0.6
109.02859	0.8
111.00813	0.5
113.02354	1.8
119.04913	0.4
121.02843	1.0
122.03651	1.0
123.04416	75.8
124.01572	0.7
124.04758	3.7
125.02353	1.3
133.02800	0.4
134.03615	0.9
135.04446	0.8
137.02274	1.0
138.01840	0.6
139.03905	2.7
145.02884	1.1
149.04448	0.7
150.00642	0.4
151.00380	0.5
151.03880	0.4
153.05489	100.0
154.05820	5.3
160.01608	1.8
161.02373	1.8
161.04510	1.0
163.03911	0.6
167.03339	0.9
175.03903	1.6
179.03459	1.0
179.07152	0.9
183.10193	0.9
191.05496	0.6
193.05014	0.6
284.90845	0.4
297.09998	0.5
315.10989	1.5
349.22293	1.7
421.20782	0.6
421.28195	0.9
445.20969	0.9
481.21368	4.3
482.21487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.8
60.08999	0.1
60.36579	0.1
61.98694	0.6
69.03338	0.1
69.29777	1.1
71.01252	0.5
75.63501	0.1
80.02545	0.1
81.03324	0.3
83.22205	0.1
85.02818	0.3
93.03342	0.9
95.01254	0.4
95.04906	1.2
98.20604	0.3
101.02320	0.4
105.03349	0.2
108.02041	0.2
108.98665	0.1
111.04484	0.1
113.02328	0.2
121.02828	0.3
122.03618	1.2
123.04408	87.4
124.04739	4.3
134.03615	0.2
137.02393	0.3
140.01057	0.1
148.26129	0.2
149.29694	0.1
153.05479	100.0
154.05818	5.3
173.04445	0.2
177.01840	0.2
183.10193	0.3
289.16510	0.2
297.09775	0.4
315.10867	0.4
335.70529	0.1
421.20651	0.3
461.22690	0.1
481.21625	0.8
499.07294	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2233
Annotation	Withaphysalin M
Peak:m/z	Relative Intensity
57.03311	0.9
59.01246	9.2
61.98706	4.5
69.03317	1.0
71.01250	5.9
71.04903	0.5
71.54877	0.6
73.02806	2.0
76.02832	0.4
81.03349	0.7
83.01248	4.5
85.02817	2.3
85.18421	0.5
89.02333	3.8
93.03331	1.3
95.01279	1.4
95.04899	1.1
97.02836	4.5
99.00748	1.2
101.02317	3.6
108.02029	1.4
109.02139	1.0
109.02838	14.7
113.02335	1.8
117.03407	0.6
121.02842	4.5
121.06482	0.5
122.03629	11.6
123.00769	0.7
123.04414	10.5
124.01573	5.7
125.02334	2.7
133.02821	1.0
133.06407	0.7
135.04381	3.0
136.01538	1.4
137.02342	28.8
138.01846	4.4
138.03040	2.6
139.03925	4.1
145.02806	1.6
146.03587	1.9
149.02342	4.7
149.04430	1.8
150.03122	1.5
151.03941	4.6
153.01828	0.7
153.05504	1.0
154.01344	6.9
154.02631	2.5
154.03796	0.5
159.04407	2.4
161.02330	2.4
161.04643	0.9
161.05959	4.8
162.03178	2.8
163.00351	0.7
163.03891	2.1
164.01068	5.5
164.04655	0.9
165.01840	36.8
165.05504	1.7
166.02174	2.0
167.03419	0.7
173.06012	0.7
175.03876	2.3
175.07513	1.2
177.01912	0.7
177.05518	2.6
178.02672	0.9
179.03426	5.1
185.05992	0.6
187.03886	3.0
188.04622	2.3
189.01917	0.7
189.05545	1.0
190.02594	0.8
191.05576	0.7
201.05492	1.4
202.06233	1.5
203.03549	0.8
203.07074	9.9
204.04134	1.4
204.07419	0.7
205.03082	0.6
205.04996	9.7
231.02965	1.2
244.07323	0.9
247.06114	2.4
254.34557	0.5
288.06387	3.3
301.15396	0.9
317.17508	3.3
329.17529	3.2
331.19144	0.9
357.16998	1.1
358.17795	0.7
371.18643	1.3
395.22272	0.9
413.23380	1.5
419.22293	1.8
421.28076	2.2
435.22333	2.9
437.23312	8.9
438.23483	1.6
481.22278	100.0
482.15793	1.1
482.22681	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.07
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.2
61.98704	12.9
71.01251	2.6
72.77756	1.4
89.11402	1.6
91.48617	1.7
93.15520	1.6
101.02324	1.7
107.01319	2.4
108.97378	1.7
113.02364	1.9
120.99532	2.1
121.02848	3.7
122.99194	2.1
124.01553	3.6
125.02267	1.9
137.02357	2.1
137.05981	2.0
139.03889	5.9
151.00269	10.0
163.00276	2.5
178.99806	4.3
188.06999	1.3
243.02989	5.0
245.04395	2.0
255.02989	14.0
266.78522	1.8
271.02490	32.2
272.02893	5.4
300.02756	57.2
301.03476	48.4
302.03845	4.8
447.09299	100.0
448.09641	16.9
484.09222	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	483.1146
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
57.03312	1.3
59.01254	5.0
61.98707	1.2
66.54874	0.8
68.99675	3.2
69.59249	4.1
71.01260	7.4
73.02823	2.1
75.00736	2.0
83.01262	2.4
85.02814	7.4
86.58101	0.7
87.00735	2.7
89.02326	1.5
92.89708	0.8
93.03343	1.0
95.01267	2.2
97.02827	1.3
99.00766	6.8
101.02314	3.2
105.00221	0.9
109.02839	0.9
111.00764	2.0
113.02341	7.8
113.99475	20.5
115.00282	9.4
119.04916	10.3
125.02314	1.8
127.00253	3.9
129.01799	2.8
137.02184	1.0
139.00266	2.0
139.03964	1.0
141.01781	1.1
142.62387	0.8
145.02838	2.7
157.01360	6.7
163.03929	11.3
169.01305	2.2
174.01617	18.3
175.02301	3.1
190.80106	0.7
277.05652	38.9
278.05991	1.8
307.91180	0.9
328.60690	0.8
337.07776	100.0
338.08136	7.0
366.42801	1.0
423.09259	2.7
483.11407	58.2
484.11630	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	483.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55323	0.7
55.01756	1.2
59.01250	8.1
60.86692	0.7
67.01758	0.8
68.99696	2.2
71.01258	5.2
71.53139	1.4
71.64400	0.8
72.99186	5.1
75.00748	10.9
75.02445	2.1
83.01272	3.9
84.99190	1.5
85.00905	2.3
85.02792	0.9
87.00768	2.2
88.17571	0.7
89.02317	2.0
97.99946	1.0
99.00762	5.7
99.02479	1.4
100.98666	1.7
101.02334	2.1
103.00254	7.4
111.00782	3.0
112.98692	32.6
113.99001	1.5
115.00238	2.1
115.01971	2.5
117.01818	3.8
124.98714	1.5
127.00269	1.7
127.02091	0.7
129.01805	1.7
142.99773	1.4
143.01486	2.7
145.01337	42.0
145.03122	1.7
146.01707	1.5
154.99733	1.1
157.01367	2.6
169.02998	0.8
171.01003	4.2
187.02469	1.2
203.03664	1.2
213.02092	0.8
217.05209	1.0
231.03090	2.6
245.04727	0.8
263.05762	12.7
264.06119	1.0
305.06903	0.8
320.66412	0.7
335.04291	4.6
335.07990	2.2
391.06985	8.9
392.07159	1.0
419.06528	1.1
451.09027	12.4
453.27246	0.8
483.11673	100.0
484.11960	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55136	0.7
57.03314	1.5
59.01255	3.3
61.98699	2.4
65.39983	0.7
67.01738	1.0
67.69701	0.7
71.01254	1.5
71.54505	0.7
73.02834	0.9
79.05397	0.7
81.03307	1.5
81.63510	0.7
83.01273	4.2
85.02821	0.8
89.02307	1.9
91.01805	1.1
93.03320	2.3
94.67186	0.7
95.01255	1.5
95.04888	2.8
96.77483	0.8
97.02839	5.6
101.02322	1.5
108.02039	1.3
109.02840	31.4
110.03123	1.5
111.00739	0.7
113.02337	1.0
119.04917	1.9
120.99534	0.8
121.02856	3.9
122.03571	0.8
123.00816	3.8
123.04414	17.8
124.01570	4.1
125.02345	16.1
132.02098	0.7
133.02834	2.9
134.03661	1.7
135.04422	3.4
137.02351	10.3
137.05962	1.0
138.03108	1.1
139.00258	1.2
139.03906	8.9
141.05515	1.6
145.02858	4.0
146.03645	1.1
147.04395	1.9
149.02357	5.1
150.03107	1.0
151.03912	9.2
153.01872	1.1
154.99725	0.8
159.04439	2.8
160.05122	1.0
161.02345	4.1
161.04630	1.1
161.05988	5.0
162.03136	1.5
163.03990	1.5
164.01048	2.7
165.01868	4.1
165.05466	1.6
167.03410	2.0
175.03894	4.8
175.07576	1.8
176.04422	0.9
177.01848	6.9
177.05473	1.4
179.03415	5.8
181.08571	0.9
187.03917	4.9
188.04732	4.3
189.01859	7.9
189.05325	1.1
190.02600	2.1
191.03430	2.6
193.04988	8.5
199.09686	1.2
201.05431	0.8
202.06273	1.4
203.03398	1.4
203.07101	11.2
204.07396	0.9
205.05023	8.9
206.05336	0.8
213.05447	1.0
216.00642	1.8
217.01358	4.4
219.02940	2.2
221.04527	1.3
221.08096	1.9
227.07054	2.6
229.04950	0.8
231.02898	1.8
233.04446	0.8
245.08162	15.0
246.08475	1.8
247.06105	1.1
271.06183	0.8
281.04663	1.8
289.07184	100.0
290.07523	10.1
297.07593	1.4
331.08344	1.3
341.06635	22.0
342.07123	3.4
373.09293	6.9
451.10211	2.3
482.27493	1.1
483.13293	2.5
483.19601	1.1
484.18582	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2004
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
54.09086	2.0
55.01754	2.9
57.03325	1.9
59.01250	19.3
61.98706	37.3
71.01257	15.4
71.54292	4.1
72.54736	1.9
73.02811	4.1
76.97247	1.9
80.19479	2.0
83.01273	3.3
83.49329	2.5
85.02325	1.8
85.02843	6.6
89.02327	6.2
99.00773	3.6
101.02333	13.8
113.02327	6.0
119.04910	2.7
120.21445	2.3
121.02858	2.5
122.03606	2.6
122.92226	2.3
123.04406	57.4
124.01556	4.1
124.04742	11.4
125.02361	2.2
125.04872	3.5
131.03421	5.1
137.02347	5.7
137.09624	2.6
138.01877	4.5
139.03912	3.4
145.02888	3.7
153.05486	74.9
154.05829	14.8
155.06050	8.2
160.01556	2.6
161.04436	8.1
165.01912	2.4
167.03447	3.2
175.03920	2.5
207.02797	2.4
233.02870	2.4
291.18149	10.2
315.18088	7.6
423.22723	4.6
447.22281	42.2
448.22525	4.0
483.20026	100.0
484.20416	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	483.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	4.4
57.03313	2.6
57.24665	1.7
57.45261	1.7
59.01249	92.1
60.01577	2.2
61.98702	11.0
64.34268	2.0
68.17075	2.2
69.03308	1.9
71.01254	40.9
71.34746	2.8
72.99201	2.8
73.02820	17.3
77.79458	2.2
83.01260	11.7
85.02823	25.3
86.00019	2.0
87.00744	3.9
89.02317	11.5
95.01261	2.6
97.02798	2.6
99.00765	7.9
101.02322	51.4
102.28425	1.7
111.00822	1.7
113.02341	16.8
125.02303	3.1
130.59436	1.7
131.03384	36.3
138.01851	2.2
159.02870	2.2
161.04468	14.0
186.40518	2.2
194.06914	1.9
201.31677	1.7
232.99345	1.6
233.06691	2.2
243.92175	1.9
291.18134	100.0
292.18448	6.1
423.22333	61.3
424.22635	6.4
483.33582	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	483.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	4.9
57.03304	2.3
59.01259	38.8
60.33283	1.9
60.45038	1.7
61.98708	12.3
62.87531	2.0
69.82025	7.6
69.82432	3.4
71.01257	46.4
73.02825	18.6
82.94701	1.8
83.01246	9.7
85.02827	22.0
87.00757	2.4
89.02312	15.7
95.01274	2.3
96.95913	2.0
97.06857	1.8
99.00762	7.3
101.02325	46.8
102.02680	1.9
113.02338	16.6
114.93346	2.0
125.02331	2.1
128.03398	2.7
128.67421	2.3
129.01790	3.1
131.03415	3.8
132.71413	1.9
139.03891	2.8
140.36345	1.8
149.04446	4.0
159.02934	3.6
160.01671	2.5
161.02382	4.2
161.04515	15.4
175.03937	2.1
242.86394	2.3
291.18158	100.0
292.18533	9.3
423.22345	55.7
424.22733	9.0
483.18253	5.5
483.33411	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	483.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38868	0.2
70.39320	0.2
71.01946	0.6
78.95776	7.7
96.96849	0.7
103.61850	0.2
119.30563	0.2
122.73769	0.2
152.99493	15.7
153.99768	0.4
171.00558	1.0
227.03236	3.2
231.27882	0.2
245.04424	1.4
255.23280	100.0
256.23630	10.6
334.98563	0.3
483.27286	27.1
484.27649	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	485.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86411	0.2
57.03326	0.3
57.27094	0.1
57.82177	0.1
59.01248	1.0
61.98701	1.0
71.01244	0.8
71.54762	0.2
72.99171	0.2
75.00732	0.2
81.03346	0.5
85.02828	1.9
89.02323	0.4
89.03843	2.0
93.03326	0.2
95.04910	0.2
95.13000	0.2
101.02315	0.3
104.02563	0.6
105.03348	3.7
109.02838	0.2
117.03336	1.0
119.04910	1.8
121.02864	0.4
123.04440	0.3
124.15542	0.2
125.02344	0.3
129.01825	0.3
133.02849	9.5
134.03174	0.2
137.02354	0.3
137.39294	0.2
139.03920	0.3
140.35257	0.2
145.02876	2.3
147.02953	0.2
148.01578	3.3
149.02359	2.6
149.05923	0.2
151.80521	0.2
153.05479	0.2
161.02373	0.2
163.03899	1.8
167.03441	0.3
172.27307	0.1
175.03838	0.2
176.01073	4.1
177.01854	100.0
178.02190	5.9
179.07045	0.2
190.02596	0.2
191.01884	0.8
205.05064	0.3
307.08258	1.2
308.08734	0.2
310.50858	0.2
322.03906	0.2
323.22144	0.3
339.07214	6.2
340.07657	0.8
394.89508	0.2
396.91754	0.2
485.10876	11.2
486.11072	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2161
Annotation	Verrucarin K
Peak:m/z	Relative Intensity
50.41540	5.3
55.24259	5.3
58.00434	6.4
59.01250	100.0
61.98699	86.6
71.01253	74.7
71.54124	8.5
73.02831	17.8
79.77890	6.4
83.01263	11.8
85.02840	29.3
89.02329	64.9
89.97186	5.6
97.02866	5.5
99.00754	17.2
101.02316	55.2
109.02831	7.9
113.02334	20.5
119.03371	14.1
131.03369	15.1
145.62067	6.5
149.04456	32.5
161.04475	7.8
191.05545	12.9
200.24640	6.0
317.19675	19.6
322.44089	6.2
353.19836	9.3
437.02792	7.1
449.23871	63.6
450.24384	9.5
485.21707	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	10.0
61.98707	1.6
65.00187	2.9
71.00880	0.7
71.01259	4.7
73.02814	1.3
83.01241	2.6
85.02792	2.7
85.24908	0.8
89.02312	1.9
93.03325	1.2
101.02326	3.5
107.01279	4.9
109.02812	1.8
113.02345	1.9
119.65702	0.9
121.02821	1.2
124.01582	1.3
125.02345	2.8
133.02913	1.4
137.02388	1.1
145.02856	1.2
147.03149	2.3
148.01608	1.2
151.00262	18.7
151.74437	1.0
152.00951	1.6
160.03954	3.5
161.02336	2.5
161.04480	1.2
162.88785	0.9
163.00229	2.4
167.03386	1.8
167.04727	0.8
169.01328	3.0
175.03963	1.2
178.57248	0.9
178.99767	11.0
183.04478	1.0
186.01862	1.6
187.02625	1.9
199.04036	4.7
205.01256	0.9
211.04010	1.4
214.01402	2.4
215.03502	1.7
226.02657	2.0
227.03517	4.6
239.03447	1.4
241.05121	1.0
242.02141	1.0
243.02928	8.6
244.03174	1.1
249.24757	1.1
255.02942	8.9
256.03558	3.1
266.04575	1.2
267.02936	4.5
269.04562	1.6
271.02466	40.0
272.03113	15.6
273.03961	4.1
282.04129	2.6
283.02466	3.6
284.03171	1.6
285.03915	2.7
289.07266	1.9
293.03329	1.5
294.04099	8.1
295.02322	6.3
296.02893	2.0
297.03964	2.7
299.01962	100.0
300.02579	24.2
301.03363	14.9
302.03787	3.4
310.03610	6.7
311.01950	1.5
312.02661	2.1
313.03467	8.6
314.03934	1.3
321.82657	0.9
322.03430	11.0
323.04321	7.4
324.04999	8.8
339.03818	45.4
340.04596	26.8
341.04990	2.2
419.09769	4.7
446.08487	15.8
447.09268	1.8
448.09695	8.4
449.09683	1.1
450.10345	0.9
459.09808	1.4
486.10406	65.1
487.10870	11.7
487.17575	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.6
59.01255	6.8
61.98705	100.0
62.98412	0.6
66.50486	0.4
69.21236	4.5
71.01252	3.5
72.99191	0.5
73.02833	0.7
79.26302	0.5
83.01279	0.6
85.02838	1.0
87.04421	0.5
89.02325	2.2
95.01246	0.5
101.02325	2.6
101.05972	0.6
103.82170	0.5
113.02387	1.1
125.02377	0.5
131.03377	0.9
149.04466	0.5
149.06035	1.8
160.01656	0.5
175.04012	1.3
193.06673	0.5
217.77710	0.4
273.96680	0.5
337.09283	0.7
371.24658	1.0
414.04651	0.5
426.23218	0.7
487.25342	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36002	0.2
59.00954	0.3
59.01253	6.4
61.98704	100.0
62.98393	0.3
69.03318	0.2
69.52575	0.7
69.53001	0.7
71.01258	2.9
73.02824	0.8
74.70255	0.2
75.00769	0.2
83.01273	0.3
85.02806	1.1
87.00774	0.4
89.02319	2.2
93.03329	0.2
99.00780	0.7
101.02296	1.1
109.07822	0.2
110.85772	0.2
113.02349	0.7
117.03413	0.2
119.03518	0.3
123.04462	0.5
124.04732	0.2
125.02331	1.1
130.83217	0.2
131.03409	0.2
145.02852	1.6
153.05580	0.2
156.37025	0.2
161.04506	0.3
166.06270	0.3
175.04005	0.3
177.01840	0.4
191.05450	0.2
193.06529	7.5
193.08310	0.4
233.06725	0.6
293.08960	0.5
339.73822	0.2
487.12149	0.4
487.25687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49856	0.4
55.15593	0.4
59.01254	7.4
61.98705	100.0
71.01263	3.4
71.54639	0.5
72.99208	0.6
73.02823	0.5
80.41876	0.3
82.02303	0.4
85.02842	1.2
87.00766	0.5
88.98689	0.8
89.02313	3.6
97.02871	0.3
99.00749	0.6
101.02328	2.5
104.25027	0.4
113.02351	1.1
119.03444	0.7
125.02370	0.7
131.03429	0.8
134.12621	0.4
137.02409	0.5
142.53659	0.4
145.02936	0.9
149.04527	0.6
161.02428	0.4
161.04561	0.6
173.31529	0.4
193.06612	1.5
321.12427	0.5
381.37415	0.5
409.48621	0.4
415.67642	0.4
426.23065	0.5
430.51819	0.4
431.38211	0.4
486.18716	0.7
487.25641	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18250	0.8
58.13597	0.8
59.01252	4.0
61.98695	3.4
66.44484	0.7
70.02159	3.3
71.01268	4.7
73.02805	2.7
76.56988	0.8
83.01237	1.4
85.02817	2.0
89.02314	1.7
93.03342	1.7
99.00735	3.4
101.02357	2.3
117.03314	1.0
119.04937	1.4
119.58334	0.8
121.02783	1.1
125.02325	1.5
133.02817	1.2
134.03633	77.4
135.04021	2.8
135.66714	0.8
137.02333	11.6
139.03891	3.6
144.66116	0.7
145.02847	2.4
149.05991	33.6
150.06323	1.5
161.02383	0.9
163.03923	2.2
178.02637	36.2
179.03125	2.4
191.03574	0.8
191.05486	1.9
191.07097	1.5
193.04988	59.7
194.05327	3.3
195.04781	1.0
235.06082	2.5
257.37366	0.8
265.07104	0.9
302.25958	0.8
307.08099	1.0
355.10223	1.7
431.38232	0.9
487.14590	100.0
488.14963	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	487.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12870	0.4
58.67683	0.4
59.01254	9.6
61.98702	1.6
65.00190	0.5
69.03311	0.7
69.26678	4.0
71.01250	8.3
72.99188	0.7
73.02820	1.3
78.68735	0.4
83.01273	1.0
85.02825	2.1
87.00729	0.6
89.02322	6.8
97.02824	1.0
99.00780	1.4
101.02327	2.4
108.02061	0.5
111.00755	0.5
113.02329	2.4
117.03352	28.0
118.03675	1.1
119.03488	0.9
119.04923	20.5
120.05212	0.7
121.02836	0.4
123.04396	0.8
123.95570	0.6
125.02347	3.3
126.58472	0.4
131.01270	0.5
131.03355	0.7
133.02899	0.6
135.04430	1.8
139.03928	0.7
143.03311	0.6
145.02861	100.0
146.03658	13.2
147.04262	0.7
149.02373	0.5
149.04459	0.8
151.00301	2.1
161.04701	0.7
161.05974	4.8
163.03932	18.1
164.04710	20.2
165.05304	1.2
177.01869	2.2
178.02225	0.9
178.06267	2.5
178.99806	1.2
179.02267	0.8
179.07062	21.4
180.07449	1.3
187.03961	1.1
193.08652	1.6
205.04982	0.7
233.06670	1.9
247.06126	0.6
293.08798	1.4
300.32639	0.5
307.08246	40.5
308.08646	3.8
324.05005	0.5
487.16165	20.9
488.16605	4.8
499.52634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45204	0.3
56.99146	0.3
57.03306	0.4
58.00460	0.4
59.01252	7.2
61.98717	1.7
65.00191	0.5
69.03315	0.6
71.01254	8.2
71.54915	0.4
72.99186	0.7
73.02817	1.3
83.01274	0.7
85.02827	1.9
87.00763	0.6
89.02318	5.9
89.03779	0.4
93.03325	0.5
94.87083	0.3
97.02834	0.8
99.00751	1.4
101.02319	2.2
105.03376	0.3
106.98622	0.3
107.01272	0.6
111.00790	0.3
112.77586	0.3
113.02338	1.6
115.03919	0.6
117.03351	29.8
118.03692	1.4
119.04917	17.1
120.05253	0.5
121.02845	1.1
122.75732	0.3
123.04386	0.5
125.02349	3.3
131.03387	0.6
131.04834	0.3
135.04433	2.0
135.45132	0.3
137.02312	0.4
139.03943	0.4
143.03412	0.5
145.02856	100.0
146.03664	14.5
147.04291	0.9
149.02299	0.6
149.04504	0.8
151.00287	1.1
159.03012	0.3
159.04382	0.4
161.05998	5.0
162.06314	0.3
163.03922	15.7
164.04706	17.0
165.05151	1.1
167.03514	0.3
173.05881	0.3
176.00980	0.3
177.01880	2.9
178.02246	1.2
178.06306	3.1
178.99773	0.8
179.02335	0.7
179.07059	18.5
180.07381	0.9
187.03951	1.3
191.05576	0.8
193.08659	1.5
203.06900	0.4
205.04985	1.0
233.06682	1.9
247.06100	0.6
293.08759	1.8
307.08234	39.9
308.08527	4.5
370.87192	0.3
391.56424	0.3
406.20361	0.3
487.16138	19.1
488.16553	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91238	1.1
55.01746	1.4
57.03046	2.2
57.03325	29.5
58.00460	2.6
59.01250	62.9
61.98707	11.8
62.35384	1.2
62.57445	1.2
69.03323	2.7
69.23156	11.0
71.01251	45.6
72.01574	1.8
72.99190	3.3
73.02824	10.3
75.00750	2.7
81.03330	2.0
83.01266	4.6
83.04895	3.2
85.02837	10.7
87.00753	7.8
88.76147	1.3
89.02316	34.8
93.03343	4.5
97.02818	4.6
97.06431	1.4
99.00754	9.8
99.04392	1.9
101.02320	19.9
107.04898	6.2
109.02814	3.1
111.00738	1.6
113.02309	11.3
115.03899	2.6
117.03358	22.6
118.03662	1.4
119.03493	2.4
119.04921	34.3
120.05711	2.7
121.02848	24.8
123.04347	1.7
125.02344	16.2
131.03384	4.3
132.05673	1.5
133.06477	5.2
133.10071	1.3
135.04420	13.7
135.11620	1.5
136.04816	1.2
137.02333	3.7
138.01871	11.2
139.02200	2.5
140.82076	1.3
143.03412	2.2
145.02855	100.0
146.03204	7.3
146.07237	1.3
149.02374	1.3
149.04445	4.2
161.02359	2.9
161.04469	8.7
161.05994	9.1
161.09630	12.3
161.13223	5.2
163.03917	38.9
163.07591	1.9
163.11125	2.1
164.04428	1.6
177.05428	5.8
179.03511	6.9
179.07059	65.8
179.10608	3.6
180.07401	4.1
187.03934	2.2
187.11211	15.6
189.09126	11.5
191.05505	3.4
193.08604	10.2
194.08917	1.4
205.05009	16.7
205.12234	11.4
207.10258	2.7
222.48068	1.4
223.13272	1.5
233.06607	13.2
235.06142	10.1
237.03833	2.1
237.09737	7.7
247.06213	1.3
249.11354	6.0
265.07178	22.6
266.07339	2.3
267.12363	4.0
281.06738	1.5
293.08835	10.7
307.08240	68.7
308.08548	7.3
321.15540	2.5
325.01730	13.0
343.14185	1.2
381.77560	1.4
469.20474	1.8
487.21799	51.0
488.22260	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	487.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.0
58.00482	0.8
59.01253	22.6
61.98708	3.7
69.62864	0.5
69.96414	0.9
69.96810	1.8
70.84134	0.5
71.00893	0.7
71.01257	9.4
72.05576	0.5
72.99182	1.4
73.02839	2.9
78.25787	0.4
82.78364	0.4
83.01270	1.0
85.02831	4.2
89.02322	6.4
93.03328	0.5
95.01250	0.5
97.02878	1.1
97.72227	0.5
98.14751	0.4
99.00757	0.8
99.04375	0.9
101.02333	6.5
103.03893	2.0
109.02837	1.7
111.00718	0.6
113.02362	3.2
119.03392	2.0
123.04408	2.8
125.02306	1.6
131.03429	0.5
133.02873	0.7
134.03624	0.4
135.01137	0.4
135.04433	3.7
139.03896	0.8
143.03426	1.4
145.02853	2.2
145.04898	0.5
146.06027	1.5
148.05219	9.1
149.04477	0.8
149.05612	0.7
150.03052	0.7
151.03893	0.6
153.05524	2.2
161.02306	1.1
161.04518	2.1
161.05904	0.5
162.22244	0.4
163.00240	0.5
163.03947	6.2
163.07571	6.8
164.04715	100.0
165.05098	5.9
175.03975	0.5
177.01825	1.2
178.06281	1.8
179.07074	82.7
180.07399	5.2
181.05022	1.1
189.01913	1.1
190.05043	1.0
191.05576	0.5
203.10767	0.6
217.01556	0.7
221.08205	1.0
232.06076	0.5
247.13373	1.0
265.14438	5.1
266.14749	0.7
300.73309	0.5
323.11246	1.7
334.09494	1.1
341.06717	3.2
341.12372	4.1
348.27628	0.5
451.10474	0.9
487.18250	21.6
487.24841	1.2
488.18570	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	487.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68117	1.2
57.03323	14.0
58.00452	1.5
59.01252	74.7
60.01575	1.7
61.98706	8.1
71.01255	18.3
71.54666	2.0
71.97861	1.3
72.99174	2.4
73.02821	4.5
75.00751	1.9
75.66885	1.4
79.05411	3.8
83.01256	3.0
83.04917	2.8
85.02824	9.0
87.00749	3.8
89.02335	9.2
95.01286	2.4
97.02883	1.5
97.60594	1.6
101.02323	13.6
103.03848	2.0
108.02061	1.9
109.02831	6.1
113.02329	9.9
119.03375	4.3
119.04914	2.9
123.04429	13.8
124.01555	5.6
125.02312	5.1
129.89543	1.2
130.84270	1.3
130.91081	1.3
133.02863	3.2
135.04375	2.7
136.05183	1.7
137.02333	2.3
137.05981	1.5
139.03925	10.4
140.04202	4.4
141.04358	2.2
143.03371	3.2
143.35780	1.4
145.02827	2.4
148.05241	13.4
149.02434	2.3
149.05959	1.8
151.03908	2.6
153.05403	1.7
154.27802	1.5
161.02322	4.8
161.04462	7.2
163.03917	4.0
163.07547	17.2
163.11232	2.0
164.04686	14.1
167.03397	1.7
177.01817	3.4
179.03453	2.3
179.05637	2.2
179.07062	12.2
181.04956	2.4
185.13351	2.0
189.01865	3.3
190.02570	2.5
203.10678	12.4
207.10143	5.3
217.01260	1.5
221.06548	1.9
227.03395	1.6
229.12248	7.2
247.13416	16.7
248.13452	1.7
255.03030	2.1
265.14444	100.0
266.14764	10.9
281.04431	2.1
307.15561	7.1
323.07639	3.0
341.06775	9.9
341.12521	5.8
342.06940	1.8
377.09192	1.4
427.19879	2.2
451.11243	5.0
451.33112	1.6
487.11679	2.4
487.18115	10.8
488.11902	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	488.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40572	1.7
59.01250	24.7
61.98694	5.8
62.46188	2.3
63.02266	4.4
65.00179	6.6
65.99703	5.1
71.01252	32.2
71.07835	3.0
73.02799	2.5
81.03318	2.9
83.01263	5.1
85.02819	4.5
89.02299	5.7
90.06895	2.0
92.67766	2.3
93.03340	12.4
95.01252	4.7
101.02325	5.4
107.01277	14.5
107.04942	2.8
108.02086	3.2
109.02825	10.0
114.50035	2.3
114.99470	3.2
115.00262	42.5
117.03338	7.6
118.02860	2.5
119.04916	5.0
121.02856	11.3
123.00764	8.0
123.04430	7.1
123.18932	1.8
125.02361	11.1
130.02904	1.9
132.02112	12.8
133.02811	5.7
134.02361	9.8
134.03635	10.0
135.00801	3.8
135.04425	15.2
137.02351	36.3
137.05939	2.5
139.00272	3.2
142.73486	2.0
145.02867	11.3
146.02338	4.6
147.04347	3.7
148.01642	2.2
149.02307	5.5
150.03148	2.1
150.99133	3.0
151.00282	44.4
151.03860	4.6
152.00999	2.8
153.05479	3.3
158.02380	2.8
160.01543	5.3
161.02357	4.1
161.05969	2.4
162.01849	21.9
163.00305	10.1
163.03903	12.0
164.03459	40.0
165.99171	2.1
169.01320	6.5
172.03905	3.3
175.03912	4.9
176.01057	4.2
177.01866	37.9
178.99797	23.9
179.03412	5.4
180.03908	3.2
181.01439	2.5
181.04993	42.8
183.04431	6.1
185.06046	2.9
186.01877	14.4
187.03943	4.2
189.05371	2.2
190.01384	7.9
192.00539	5.9
193.01360	6.0
193.04993	2.7
199.03856	3.4
201.05550	4.3
203.02126	6.0
204.02957	32.0
205.01387	2.5
211.03917	8.1
213.01738	2.1
215.03491	3.0
222.04048	4.2
223.06003	3.1
224.06544	3.2
225.05452	2.7
227.03477	21.9
229.04996	8.3
230.00931	5.0
239.03426	3.2
241.05014	3.6
243.02945	7.7
245.04582	4.8
250.05222	2.7
254.04578	4.5
255.02992	42.4
256.03577	9.5
256.06104	4.7
257.04578	11.4
266.04520	3.8
267.16006	4.2
268.03760	3.8
269.04535	27.3
270.04178	13.4
271.02481	11.0
272.03116	3.8
273.03922	6.9
278.04694	3.9
279.02911	14.2
279.08688	3.7
280.03033	2.5
283.02426	15.8
284.03192	15.9
284.05832	3.2
285.03958	6.1
294.04254	4.8
295.04803	3.3
297.03989	13.7
299.04498	3.8
300.02505	21.3
300.05664	3.7
301.03540	85.1
302.04181	10.1
305.03336	4.1
306.04095	29.7
307.04498	4.1
315.05283	2.4
323.04370	27.9
323.07779	5.4
324.05109	60.0
325.05426	7.1
326.03238	3.3
341.05380	52.5
342.06183	41.2
343.10254	7.3
350.08804	4.6
368.09891	19.6
373.26077	5.7
394.07675	8.5
421.11456	3.5
430.08923	4.1
434.75171	2.5
447.09311	19.8
448.09561	3.9
470.10892	17.2
471.11014	3.2
488.11969	100.0
489.12711	19.7
489.23129	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1041
Annotation	Maritimetin 6-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
54.19687	0.2
59.01249	4.2
60.39305	0.2
61.98701	1.3
63.02269	0.6
65.00190	0.5
65.63908	0.2
71.15301	0.2
71.41575	0.3
72.99189	0.3
73.02834	0.3
78.38395	0.2
83.01272	0.5
85.02837	0.3
89.02318	0.7
91.01772	0.5
93.03330	1.7
99.00775	0.5
101.02316	0.7
107.01276	2.6
108.02058	0.2
109.02842	0.9
113.02302	0.6
117.03349	0.5
119.01273	0.3
119.04904	0.7
121.02831	0.4
121.82378	0.2
123.00844	0.2
123.04432	0.5
125.02299	0.3
128.77759	0.2
131.03404	0.2
131.04959	0.2
132.02077	1.6
133.02832	0.2
135.00766	2.3
135.04408	0.5
136.01599	0.3
137.02325	0.5
143.04939	1.3
145.02875	0.7
147.04367	0.3
151.00252	1.8
151.03897	0.7
153.01842	0.6
153.05438	0.4
154.04216	0.3
156.05724	0.2
157.02887	0.2
157.06494	0.8
158.03563	0.2
159.04407	1.4
160.01567	0.2
160.04712	0.2
161.02386	0.4
161.04491	0.4
161.05949	0.3
163.00301	2.6
163.03912	1.3
164.00984	0.7
164.04605	0.4
165.01889	0.5
165.05176	0.2
167.04913	0.7
169.01382	0.2
169.06531	0.8
171.04459	0.7
173.05972	0.4
175.03964	0.4
177.01799	0.8
179.03403	0.2
179.07083	0.4
180.07359	0.2
181.05011	1.9
183.04453	1.3
183.10226	0.2
184.05038	0.2
185.02422	0.7
185.06036	2.2
187.03929	2.9
189.01872	0.2
189.05478	0.8
190.05118	0.2
190.99826	0.4
195.04428	0.7
195.06509	0.6
196.05194	0.3
197.05901	0.9
198.03186	0.2
199.03929	1.5
200.04662	0.6
201.05504	0.6
207.02895	0.2
209.00777	0.3
210.03052	0.2
211.03932	3.2
212.04662	0.4
213.01872	0.4
213.05498	1.5
214.02518	0.3
215.03416	0.3
217.04956	0.3
223.03951	0.3
226.02620	0.2
227.03448	36.7
228.03798	3.3
229.05016	9.8
229.06839	0.1
230.05357	0.7
239.03450	2.3
240.04132	1.2
241.04947	1.6
243.02968	0.5
255.02966	70.2
256.03442	9.3
257.04529	6.2
258.04807	0.5
267.02933	1.0
268.03564	0.2
283.02463	0.7
284.03256	83.4
285.03998	100.0
286.04385	8.7
297.03955	0.2
297.13342	0.4
327.04883	0.5
341.06689	0.3
429.17178	0.3
447.09396	0.2
489.10370	37.4
490.10669	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	489.1039
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01251	3.8
60.26055	0.1
61.98705	1.0
63.02272	0.5
65.00179	0.4
68.99680	0.2
69.43534	0.8
69.43961	0.3
72.99214	0.2
73.02832	0.3
79.01745	0.2
83.01264	0.4
85.02826	0.5
87.00730	0.2
89.02332	0.7
91.01790	0.4
93.03336	1.7
98.52319	0.2
99.00769	0.4
101.02348	0.9
107.01272	2.2
108.02065	0.5
109.02842	1.3
113.02320	0.5
117.03363	0.3
119.04935	0.4
121.02834	0.3
123.00809	0.2
123.04428	0.5
125.02364	0.3
131.03384	0.2
132.02063	1.5
133.02858	0.2
135.00787	2.0
135.04407	0.8
136.01427	0.2
137.02353	0.4
137.05983	0.2
141.06940	0.2
143.04956	0.8
145.02881	0.8
151.00249	1.8
151.03970	0.8
153.01836	0.3
154.04121	0.2
155.04919	0.2
156.05719	0.2
157.06490	0.6
158.03595	0.2
159.04446	1.4
161.02344	0.3
161.04517	0.4
163.00287	2.6
163.03911	1.2
164.01018	0.8
164.04651	0.5
165.01851	0.5
165.05081	0.4
166.05075	0.2
167.04961	0.7
168.05553	0.2
169.01340	0.3
169.05162	0.2
169.06534	0.5
171.04442	0.6
172.05150	0.3
173.02280	0.2
173.06004	0.3
175.03984	0.2
177.01884	0.8
179.03429	0.2
179.07080	0.9
180.07452	0.4
181.05011	2.2
182.05353	0.2
183.04427	0.8
184.05107	0.2
185.02371	0.7
185.06017	1.9
187.03926	2.3
188.04285	0.3
189.02000	0.2
189.05499	0.6
190.02455	0.2
190.99844	0.3
192.00621	0.2
195.04427	0.7
195.06581	0.5
196.05249	0.2
197.05988	0.9
199.03969	1.1
200.04707	0.5
201.05475	0.5
205.04871	0.3
209.00819	0.2
210.03098	0.2
211.03929	2.8
212.04620	0.4
213.01852	0.2
213.05505	1.7
214.05818	0.3
215.03497	0.4
217.01324	0.2
217.04909	0.2
221.05728	0.2
227.03448	34.2
228.03835	3.0
229.05011	9.9
230.05357	0.8
239.03430	1.7
240.04182	0.7
241.04985	1.4
243.03021	0.4
255.02968	68.5
256.03421	8.2
257.04532	6.2
258.04834	0.4
267.02960	0.9
269.04337	0.2
283.02399	0.6
284.03259	81.5
285.03998	100.0
286.04388	8.9
297.13449	0.5
327.05157	0.5
341.06656	0.5
366.47583	0.2
427.15546	0.2
429.17294	0.4
447.09088	0.3
489.10367	37.4
490.10666	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	489.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27943	2.7
57.03325	4.7
57.45120	3.1
58.00435	3.5
59.01250	100.0
60.01601	3.6
61.98702	17.6
66.88496	3.2
69.55522	6.2
69.55927	15.1
71.01254	62.2
71.73880	3.3
72.99177	7.5
73.02814	11.7
83.01270	6.4
83.04905	3.2
85.02819	14.4
87.00762	5.6
89.02323	51.0
93.03358	3.4
97.02818	4.0
99.00736	3.4
101.02319	33.1
101.05962	40.6
113.02311	23.0
115.00264	2.8
115.07536	20.2
117.03352	10.7
119.03400	22.2
119.04903	9.0
121.02841	8.5
123.04396	3.3
125.02290	5.4
129.01775	3.0
131.03415	4.1
135.22255	3.2
137.02318	8.0
139.98698	2.9
143.03419	4.8
145.02849	27.5
149.04356	4.4
160.01440	4.3
161.04498	3.9
161.05901	4.0
163.03946	5.4
165.05434	4.6
165.09109	5.7
175.03938	5.8
179.05482	7.6
181.01347	3.7
181.04956	3.9
193.04916	4.5
207.06396	4.4
223.07486	3.3
233.08324	3.7
250.06270	5.1
251.07101	23.0
266.09354	3.1
273.92374	3.5
278.09381	3.7
279.06601	54.7
281.08411	4.3
293.08047	7.1
294.08948	24.2
309.07590	7.8
309.11206	48.5
310.11499	6.3
327.21747	5.4
342.11008	7.9
347.27328	3.6
357.13422	14.5
371.24408	4.7
373.25964	36.2
374.26181	3.4
414.39230	3.0
440.75995	3.3
489.17755	15.7
489.27029	62.0
490.27121	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	489.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.4
57.03326	1.8
58.00455	1.5
59.01253	56.0
61.98704	3.6
71.01255	25.1
72.63226	0.8
72.99180	3.5
73.02828	3.7
83.01269	2.1
85.02821	7.4
87.00746	2.1
87.04408	1.8
89.02322	17.8
93.03343	0.8
95.01266	1.7
96.95878	1.6
97.02852	0.9
97.06477	0.8
99.00741	1.5
101.02322	16.7
101.05984	6.9
107.01247	0.9
109.02863	1.7
111.00757	1.6
113.02328	9.3
115.00257	0.9
115.07540	1.5
117.02557	1.6
117.03350	23.4
118.03711	1.0
119.03387	6.8
119.04905	11.1
120.05276	1.2
121.02831	1.9
121.10087	1.3
122.03606	2.8
123.04432	1.5
125.02327	1.9
131.03427	1.6
133.02812	1.5
134.03610	0.9
135.04402	1.9
137.02344	2.0
137.09465	0.8
139.11169	2.0
145.02859	100.0
146.03189	6.5
148.01471	0.8
148.05212	1.1
151.00250	1.8
151.03928	15.4
153.05403	0.9
161.02364	5.1
161.04436	1.8
161.06001	1.3
163.02675	1.3
163.03934	12.8
163.07567	0.9
164.04358	0.8
165.09154	2.1
166.06271	13.6
171.10188	1.4
171.47780	0.8
175.03966	1.9
178.06313	1.3
179.03450	1.4
179.05475	1.0
181.04984	1.0
181.08609	9.7
183.10201	2.6
187.03880	1.5
193.08589	2.6
201.11261	8.2
221.15511	5.1
223.17030	0.8
227.03607	1.1
233.15521	0.9
243.02908	4.2
251.16466	1.1
255.03014	8.5
256.03500	1.3
271.02481	21.8
272.02924	2.3
273.18466	1.0
284.03088	0.8
285.03952	1.3
291.19742	1.6
294.31677	0.8
299.01990	3.1
300.02762	37.4
301.03387	7.5
307.08234	26.6
308.08542	1.6
309.20709	9.5
313.09137	0.9
327.21695	1.8
373.26068	6.1
429.39291	0.8
443.13281	1.1
489.10376	14.3
489.17676	27.5
489.26962	63.8
490.10614	2.2
490.17862	4.7
490.28036	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	489.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90172	0.3
55.01751	0.3
57.03329	0.6
58.00483	0.5
59.01252	11.2
59.16077	0.3
61.98707	1.6
71.01254	6.8
72.99189	0.6
73.02825	1.7
75.00762	0.5
76.36901	0.3
79.19888	0.3
81.09455	0.3
83.01250	0.5
85.02819	1.8
87.00758	0.7
89.02319	4.3
94.04379	0.3
95.01252	0.6
96.95899	0.3
99.00812	0.5
101.02325	4.2
101.05283	0.4
101.05961	6.3
102.02689	0.3
107.04913	1.5
108.02057	0.3
111.00789	0.4
113.02342	2.2
115.00307	0.4
115.07557	0.7
117.03351	30.3
118.03696	1.2
119.03397	1.2
119.04917	12.5
120.05228	0.6
121.02840	0.4
123.04457	0.6
125.02351	0.4
131.03381	0.6
133.02808	0.4
133.06488	0.8
134.03662	0.6
135.04338	0.3
137.02336	2.4
137.06027	0.4
143.04935	0.6
145.02858	100.0
146.03191	5.6
148.05203	0.9
149.04526	0.3
149.05977	0.8
150.05594	0.5
151.03886	0.5
155.65665	0.3
159.04373	0.4
159.08032	0.3
160.01572	1.5
161.02390	0.4
161.04469	0.9
161.05977	2.2
163.03920	15.0
163.07567	0.5
164.04329	0.6
165.05424	0.5
166.06297	0.7
175.03929	1.8
177.05508	1.2
181.08667	0.5
181.12209	0.4
185.05934	0.7
193.04977	0.9
205.05046	2.2
227.07121	6.2
228.07382	0.8
231.26520	0.3
235.06094	1.3
255.02882	0.5
265.07111	1.1
271.02368	0.5
300.02625	0.5
307.08264	1.1
309.20804	0.4
311.11340	0.4
313.24106	0.4
329.23401	0.3
337.09277	1.3
373.25977	3.4
474.16803	0.4
489.17609	42.1
489.26559	2.2
490.18008	7.9
490.23788	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01732	0.3
57.03323	0.5
59.01254	3.6
61.98701	0.7
63.18643	0.2
69.23413	2.2
71.01257	2.4
72.65172	0.2
72.99187	0.4
73.02818	0.5
73.03667	0.2
83.01264	0.4
85.02831	0.7
89.02339	0.9
91.72604	0.2
93.03315	0.4
97.06472	0.9
98.20551	0.5
99.00745	0.3
101.02310	1.5
101.05983	0.3
103.37848	0.3
113.02334	1.0
114.61180	0.2
115.00261	0.6
115.07553	0.4
117.03352	26.3
118.03697	1.2
119.04918	10.1
120.05230	0.4
121.02834	1.2
122.03609	2.6
125.02322	0.4
131.04921	0.3
134.03638	0.3
137.02409	0.3
137.05975	0.6
139.74925	0.2
145.02856	100.0
146.03185	5.7
151.07558	0.3
154.02669	0.4
159.04358	0.4
160.01590	0.7
161.02306	0.5
161.04498	0.2
161.06015	0.6
163.02528	0.4
163.03926	8.7
164.04387	0.4
165.09160	0.7
166.02643	0.5
166.06274	14.4
167.06793	0.9
175.03909	1.3
181.05058	2.1
181.08615	9.3
182.08899	0.4
187.03941	0.8
189.12805	0.3
205.05006	0.5
247.06114	0.7
247.33563	0.2
257.17609	1.0
288.94849	0.3
307.08234	30.6
308.08551	3.0
343.10342	0.5
343.25024	0.4
373.25943	6.6
374.26508	0.7
475.71255	0.3
489.17691	30.5
489.26624	1.7
490.18091	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	489.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37046	0.4
52.89363	0.5
55.01753	0.6
57.03314	1.5
58.00469	2.5
59.01253	100.0
60.01588	0.9
61.98703	2.4
69.03326	2.0
69.64574	3.2
71.01256	33.7
72.01593	0.7
72.99179	5.6
73.02820	27.7
75.00749	1.2
79.95093	0.4
81.03339	0.6
83.01256	2.1
85.02827	12.8
85.99969	1.3
87.00751	9.3
87.04385	4.2
89.02319	26.9
90.02707	0.7
93.03332	0.7
95.01227	0.6
97.02822	1.0
99.00748	0.7
99.04424	0.8
101.02325	54.6
102.02693	1.3
103.03197	1.1
103.03893	21.3
104.04221	0.7
109.02839	4.7
113.02341	4.7
115.03905	5.9
119.03399	12.2
119.04812	0.6
125.02337	4.6
127.03901	2.3
129.65504	0.6
131.03392	9.8
135.08067	1.1
143.03410	12.4
145.04962	6.3
161.04471	1.8
163.06035	76.4
164.06325	3.3
168.00508	0.7
179.05518	2.3
179.07057	6.5
181.01370	4.3
197.34035	0.5
205.07115	24.8
206.07486	1.2
223.02383	0.6
265.09265	5.7
266.09747	0.6
267.15826	1.1
283.11935	1.2
325.11493	0.7
327.08673	0.8
388.69421	0.6
429.17453	8.1
430.18021	1.4
489.12320	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	489.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
61.98705	6.7
69.57848	14.3
71.01260	19.2
72.99160	5.1
73.02825	8.7
78.95782	21.7
85.02828	4.2
89.02326	11.3
96.95892	4.1
101.02336	10.1
107.60355	2.3
113.02349	8.5
119.03384	2.9
152.99402	4.7
161.04466	2.8
171.00526	5.4
205.19537	4.1
249.00047	2.3
249.18607	7.0
267.19516	3.7
291.19702	3.8
429.24905	8.6
489.27335	40.8
490.26224	22.4
501.46429	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	489.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
61.98704	21.2
66.76166	7.3
71.01258	77.6
71.54329	8.8
71.54723	8.9
73.02817	27.1
78.95776	12.6
79.02073	6.4
79.95597	7.8
83.01249	20.8
85.02830	36.3
87.00771	12.3
89.02303	31.2
96.95907	13.9
101.02323	54.5
113.02332	30.6
131.03409	10.1
135.04411	7.4
143.03413	8.1
161.04532	37.1
179.07121	10.7
293.35080	7.7
357.22861	59.9
489.27133	21.2
489.34229	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	490.157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25439	0.2
59.01258	1.7
61.98706	100.0
62.98413	0.2
67.48312	0.2
69.37928	1.4
71.01255	0.9
73.02853	0.2
76.40128	0.2
85.02841	0.2
89.02351	0.5
101.02340	0.5
101.05938	0.2
108.02077	0.3
109.02838	0.2
113.02344	0.3
117.03368	0.5
119.04981	0.3
121.02836	0.4
123.04436	0.6
125.02334	0.2
132.02061	0.3
133.02853	0.6
134.03687	0.2
135.04456	0.8
138.03067	0.3
145.02914	1.3
146.03552	0.6
151.03824	0.2
152.01114	0.4
153.01900	0.4
153.05525	0.8
160.01607	0.8
161.02359	1.4
162.40820	0.2
163.03929	0.3
164.04745	0.5
167.03424	1.0
168.04192	0.5
175.03973	1.1
179.03473	0.4
179.07080	0.7
181.04977	0.3
181.92126	0.2
183.06583	0.6
266.58612	0.2
307.08310	0.6
311.07654	1.5
337.09415	1.0
461.18317	0.4
490.14615	1.1
490.24347	0.2
491.14923	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1198
Annotation	Burkinabin B
Peak:m/z	Relative Intensity
53.21314	0.6
55.54038	0.6
59.01247	7.5
59.94282	0.6
61.98709	2.9
71.01258	4.2
71.41103	0.9
73.02830	1.1
81.03344	1.0
85.02834	3.2
87.00783	0.7
89.02343	0.6
93.03326	0.8
95.01254	1.2
101.02300	1.8
107.01225	0.6
108.02057	64.5
109.02857	27.5
110.03146	0.9
113.02348	1.7
117.03342	1.2
121.02816	1.4
122.03646	1.0
122.94675	0.6
123.00752	1.1
123.04433	2.9
125.02312	1.2
132.02074	8.2
133.02864	9.4
134.03632	8.6
135.00784	1.3
135.04433	5.5
137.02313	1.2
139.03920	0.7
145.02852	1.3
149.05960	1.2
151.03915	1.2
152.01064	73.4
153.01855	23.2
153.05437	2.6
154.02151	0.8
160.01578	33.8
161.02362	23.3
162.02751	1.7
163.03909	1.2
165.01802	1.1
167.03360	0.9
168.04181	0.8
175.03929	26.8
176.04272	2.0
177.05475	1.3
179.03439	4.1
193.05061	4.5
201.18207	0.7
221.04565	0.7
227.03459	0.9
228.04134	0.7
243.06567	1.4
254.80118	0.6
255.03075	1.0
271.02240	0.6
287.04581	0.9
307.08090	0.9
315.07233	17.1
316.07565	1.6
323.07803	3.6
329.13809	0.6
337.09238	2.7
361.54907	0.7
396.78885	0.7
447.12958	2.6
459.09280	1.9
491.11887	100.0
492.12228	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.3
59.01252	4.1
68.87305	0.2
69.44867	1.8
71.01254	4.0
73.02834	0.5
81.03355	0.4
83.01291	0.3
85.02821	1.3
87.00728	0.2
89.02321	3.2
93.03328	0.6
95.01279	0.5
95.04916	1.4
101.02303	1.3
105.03302	0.4
108.02050	0.6
109.02889	0.3
113.02343	1.1
117.03352	0.6
119.04898	0.3
119.69231	0.2
121.02869	0.9
122.03622	1.6
123.04413	100.0
124.04749	4.2
131.03433	0.4
132.02066	8.1
133.02806	1.0
134.03638	14.5
135.04054	0.7
137.02379	0.4
147.04440	0.3
149.02335	0.3
149.04408	0.4
149.05991	2.5
152.04660	0.4
153.05484	78.8
154.05795	3.9
159.04361	0.4
159.26505	0.3
160.01573	43.2
161.01921	2.1
161.05890	0.3
172.05173	0.5
175.03928	49.5
176.04292	3.1
177.01840	0.4
177.05510	0.2
178.02655	1.0
179.03447	0.5
189.05476	0.7
190.06264	0.6
191.07031	0.6
193.04999	11.7
194.05333	0.8
195.06592	0.4
201.31787	0.3
202.02692	0.3
203.07010	0.2
205.08615	0.7
207.06691	0.3
217.04967	0.7
235.06151	0.4
242.06978	0.3
296.10461	0.3
297.09930	0.4
304.33597	0.2
311.09439	0.3
311.12793	0.3
315.10883	1.2
322.06912	0.4
337.09296	58.5
338.09631	6.6
341.13928	2.3
411.21875	0.3
491.15579	3.3
492.15942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.156
Annotation	Decumbeside A
Peak:m/z	Relative Intensity
50.46120	0.3
54.55748	0.3
57.03343	0.5
58.00439	0.4
59.01252	11.4
61.98704	2.1
63.71412	0.3
69.03339	0.3
71.01252	8.1
71.54909	0.4
72.99196	0.7
73.02809	2.1
75.00736	1.2
83.01252	1.1
84.25625	0.4
85.02843	2.8
87.00768	0.8
89.02323	6.8
90.25896	0.3
93.03341	0.5
95.01266	0.9
97.06454	0.4
99.00757	0.9
101.02326	5.4
101.05988	0.3
108.02045	0.6
109.02837	0.5
109.99969	0.4
113.02333	2.2
117.03354	28.8
118.03694	1.2
119.03383	1.1
119.04919	11.0
120.05252	0.9
121.02857	0.6
123.00775	0.7
123.04397	1.3
125.02357	0.9
131.03419	2.0
134.03682	0.7
135.04422	0.6
137.02371	0.7
138.03088	0.3
139.03889	0.5
139.07533	0.4
143.03407	0.4
145.02858	100.0
146.03206	5.2
149.04457	4.6
151.00282	0.9
152.00981	0.3
153.01845	14.7
153.05504	0.4
154.02229	0.5
157.08617	1.6
161.02304	0.6
161.04494	1.1
161.05992	0.9
163.03920	9.4
164.04694	1.6
165.09148	0.3
167.03403	0.9
168.04196	11.1
169.04666	0.8
171.10173	0.8
177.01852	0.5
179.06975	2.1
181.05074	0.5
183.04506	2.5
183.06541	2.4
185.11742	0.6
187.03879	0.7
191.05475	1.7
193.04997	1.0
197.06093	0.7
201.11334	0.6
205.04950	0.5
209.38240	0.3
265.07153	0.4
271.02573	0.4
307.08231	20.3
308.08557	2.2
311.07767	1.0
311.22260	0.7
323.72845	0.4
329.23245	0.6
358.01443	0.3
373.25888	0.6
375.27524	5.2
376.27872	0.6
445.20984	0.7
473.27448	0.9
491.15637	21.2
491.28580	6.8
492.16013	3.4
492.28732	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46940	0.8
52.64261	0.9
55.01734	1.0
57.03314	1.8
58.00439	0.9
58.38678	0.8
59.01254	32.2
61.98705	55.7
62.74874	0.8
62.98389	1.0
67.01755	0.8
71.01256	22.8
72.99155	3.5
73.02793	3.4
75.00713	1.7
81.03304	1.6
83.01238	2.7
83.56757	1.0
85.02826	7.9
87.00727	2.4
89.02329	11.7
93.03313	2.5
95.01220	2.7
95.04897	1.0
97.06448	1.6
98.19750	1.9
99.00730	1.8
101.02319	12.7
105.03326	1.0
107.01237	1.8
107.04881	1.4
108.02062	10.3
109.02847	10.9
111.00768	1.7
113.02318	4.9
117.03329	6.4
119.01122	0.9
119.03359	2.1
119.04922	4.5
120.02031	1.3
121.02860	6.5
123.00771	5.0
123.04412	14.9
124.01534	1.4
125.02358	4.1
129.01860	1.4
132.02065	10.4
133.02856	41.5
134.03670	13.9
135.04437	15.0
136.03871	1.5
137.02362	4.9
138.03157	10.4
139.00278	0.9
139.03896	2.2
145.01826	1.3
145.02866	18.8
146.03644	18.7
147.04329	1.9
149.02319	2.4
149.04573	1.1
149.05952	4.2
151.00279	4.6
151.03838	2.3
152.01051	15.4
153.01862	15.0
153.05486	33.3
154.05765	1.0
159.04366	2.3
160.01575	44.2
160.05106	1.0
161.02359	100.0
161.04472	3.7
161.05899	7.2
162.02785	5.1
163.03896	4.8
164.04716	13.5
165.01791	1.7
165.05299	1.3
166.02542	1.5
167.03426	28.8
168.04187	9.3
175.03931	52.5
176.04306	2.8
177.01807	2.5
177.05431	1.5
178.02539	1.6
179.02037	0.9
179.03476	9.7
179.07063	26.5
180.07269	1.6
183.02843	1.6
183.06557	11.1
183.10172	1.0
189.05457	1.5
191.07007	2.2
193.04977	10.4
205.04778	1.1
220.03618	1.0
221.04416	1.7
229.51170	0.9
235.06023	4.3
240.07707	1.0
251.05627	1.0
253.08614	2.1
265.06998	1.5
269.08020	2.3
281.08078	3.3
283.09692	1.4
284.10333	1.0
295.08081	1.5
296.05310	1.4
296.10553	1.9
297.11108	1.5
299.12659	1.1
307.08243	11.7
308.08627	1.3
311.04288	1.8
311.07724	30.4
311.12881	2.1
312.07922	2.0
313.03360	2.0
314.11389	1.9
315.06989	4.0
315.11920	1.4
329.13763	3.1
337.09283	32.6
338.09412	1.9
341.13873	6.5
342.13757	0.9
343.11807	1.0
345.11588	1.0
375.27167	1.5
382.45349	0.9
431.22809	4.5
461.18314	7.5
473.18143	7.3
474.18219	1.2
476.16513	2.9
491.15298	90.3
492.15671	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	491.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02258	1.7
55.01750	3.4
57.00788	1.4
57.03329	3.0
57.46788	1.6
59.01256	46.4
61.98702	32.7
65.00192	1.6
67.01736	4.5
68.99682	2.2
70.94697	3.5
71.01257	40.7
72.99159	3.2
73.02827	8.9
75.00738	5.5
78.91861	1.7
81.03316	3.7
83.01246	6.2
85.02831	17.3
87.00739	4.5
89.02322	12.2
91.01786	3.7
93.03324	2.7
95.01245	7.2
95.04890	4.1
96.95882	6.4
99.00737	4.4
99.04418	2.3
101.01703	2.0
101.02332	26.0
105.14345	1.5
107.01270	7.1
108.01381	1.5
108.02056	19.8
109.02132	1.8
109.02842	20.8
111.00751	5.7
111.06946	1.5
112.01546	2.2
113.02348	14.7
119.03355	4.5
119.04901	3.8
120.99491	4.5
121.02847	10.1
122.03633	17.6
123.00781	12.9
123.04425	66.4
124.01579	3.9
124.04704	2.8
125.02357	12.8
131.03401	2.3
132.01993	1.7
133.02802	5.4
134.03606	6.3
135.04387	7.1
136.01553	3.9
137.02312	6.3
138.03084	2.0
139.00290	1.9
141.77626	1.8
143.03368	2.0
145.02872	9.3
146.03648	62.1
147.00774	2.2
147.04143	4.8
149.02313	6.4
149.04451	1.5
149.05927	2.8
150.03134	9.6
151.00269	17.7
151.03851	3.5
151.99928	2.0
152.01070	26.8
153.01854	23.8
153.05482	15.9
160.01563	7.9
161.02386	15.3
161.04439	6.8
161.05940	18.4
162.02904	2.5
163.03951	9.1
164.04707	48.4
165.01779	2.1
165.05498	14.6
166.02580	3.3
166.99614	1.6
167.03424	67.4
167.06969	3.0
168.03734	2.1
175.00258	9.7
175.03915	9.8
177.01816	2.4
177.05382	2.4
178.02499	2.1
179.03445	5.6
179.07068	92.3
180.07349	4.4
181.04988	1.9
183.10158	1.8
189.01817	2.9
190.02646	21.4
191.03395	3.1
191.05428	3.6
193.04968	8.1
193.12164	1.7
195.02963	1.6
195.06532	6.3
197.11801	1.7
199.13309	2.3
201.11292	2.5
203.03416	3.4
205.03333	2.1
205.05028	22.9
208.26404	1.6
209.04552	2.6
215.12709	2.2
217.01213	1.9
221.04550	2.7
223.06026	3.0
231.02786	1.9
233.08334	2.7
251.09192	4.5
281.07974	1.5
286.01093	2.6
296.05206	6.1
297.00458	2.4
297.06009	3.4
297.09378	1.6
300.02686	3.4
300.09692	1.5
311.07733	97.9
312.07968	10.2
315.10788	2.1
323.07617	3.5
329.02991	9.5
329.15793	2.1
329.23184	5.3
333.89978	1.4
337.09335	3.3
342.06857	2.9
347.24457	7.3
359.20825	2.5
367.10416	11.3
431.23071	3.8
476.13031	2.0
491.15454	100.0
491.28537	41.9
492.09372	3.2
492.15723	17.0
492.28479	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91716	0.8
59.01251	6.2
64.21536	0.7
68.04000	0.8
70.01884	2.0
70.02279	1.9
71.01246	5.3
72.87320	0.8
73.02825	3.9
75.00738	1.0
85.02849	2.1
86.96958	0.8
87.00746	1.9
89.02324	15.5
101.02338	0.9
103.03889	1.9
125.02331	0.9
131.03384	6.3
149.04466	100.0
150.04735	1.9
175.58760	0.9
226.69130	0.9
238.59151	0.9
330.84232	0.9
397.05283	1.1
403.57858	1.0
434.17548	1.0
491.14182	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1925
Annotation	Schizandriside
Peak:m/z	Relative Intensity
55.01744	0.7
57.03315	1.7
58.00456	1.9
59.01252	34.8
59.36529	0.7
63.73265	0.6
69.41675	1.9
69.42083	2.5
71.01254	25.0
72.99193	2.0
73.02807	2.6
83.01257	1.8
85.02824	6.2
87.00758	0.8
89.02319	19.3
91.01763	0.9
101.02329	1.8
107.73413	0.7
108.02037	2.0
109.02841	13.7
113.02319	2.2
123.04422	5.3
131.03403	1.3
135.02527	0.6
135.04428	5.3
149.04431	0.7
159.04434	6.3
165.05409	0.8
167.03433	1.2
172.05211	3.9
173.05995	6.7
178.58946	0.7
179.03410	1.9
185.06131	0.7
187.07555	4.9
189.05473	5.0
191.07076	3.0
201.05420	0.9
203.07045	3.5
240.04202	1.5
241.05022	9.7
242.05449	0.8
253.05064	2.4
254.05678	1.1
255.06557	4.7
256.07059	0.8
265.09058	0.9
267.06631	2.0
268.07358	3.0
269.08160	1.3
279.06580	1.4
280.07663	1.3
281.08331	3.6
282.08725	0.9
283.09772	1.8
293.08142	1.0
295.09720	7.3
296.10529	4.1
297.10535	0.8
298.08234	0.9
299.09229	5.7
300.09595	1.0
309.11203	0.9
310.08597	0.8
311.09464	8.7
311.12854	1.3
312.09787	1.5
313.10818	12.2
314.11145	1.9
325.10666	2.0
326.11539	11.0
327.12054	2.0
329.10492	4.9
341.13919	13.5
342.14175	1.8
343.11966	2.8
344.12625	39.6
345.12949	5.9
359.14999	100.0
360.15329	14.5
400.42258	0.8
491.19247	83.0
492.19550	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13312	2.3
55.32234	2.3
58.00467	4.9
59.01254	96.0
59.29331	2.2
60.01618	2.6
61.98708	14.4
62.19508	2.6
65.30210	2.1
69.49397	11.4
71.01257	56.0
72.99188	4.0
73.02846	2.8
83.01264	3.4
85.02825	6.2
87.00769	4.4
89.02322	88.7
98.20579	5.2
99.00797	3.5
101.02332	8.2
113.02345	11.8
115.00340	2.9
119.04927	72.6
120.05235	4.4
123.00822	3.7
123.04413	57.6
124.04791	2.5
131.03404	9.7
132.02080	7.5
133.02875	6.6
134.03619	9.2
135.04459	6.0
138.03128	3.8
138.75500	2.4
143.23708	2.4
145.02861	8.4
149.04471	12.2
149.06047	2.2
152.01135	2.5
153.05501	59.0
154.05913	3.2
160.01585	22.3
161.02408	15.2
163.03915	69.0
164.04433	3.5
167.03360	5.3
175.03943	37.6
193.04985	14.2
224.04791	5.9
238.06281	5.4
255.10190	5.9
266.05835	3.6
269.11835	4.5
270.12677	3.5
283.09753	42.9
284.10132	2.9
295.09879	5.5
296.10425	4.0
297.11258	3.1
298.12183	3.1
300.01205	3.4
311.09268	100.0
312.09579	15.3
313.11060	3.4
325.10699	4.8
326.11563	56.9
327.11978	7.3
337.09305	41.0
338.09781	5.5
341.10245	12.8
341.13919	99.4
342.10770	5.0
342.14380	12.8
367.31635	2.6
375.27570	14.4
491.15625	18.3
491.28262	3.1
492.15900	5.5
495.97958	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	491.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.4
57.03320	1.5
58.00452	1.4
59.01252	38.6
61.51330	0.4
61.98709	4.5
69.03325	0.7
70.87428	0.8
71.01254	26.1
71.24787	0.5
72.99187	2.9
73.02820	3.7
75.00743	0.6
78.74838	0.4
83.01261	2.1
85.02824	7.0
87.00747	1.4
89.02318	18.7
91.01765	1.0
99.00774	1.1
101.02326	4.6
108.02057	2.0
109.02841	17.2
110.03196	0.8
111.00732	0.6
113.02332	2.5
117.03327	0.6
119.03361	1.2
120.99557	0.5
121.02859	0.5
122.03652	1.2
123.04398	3.8
124.01548	1.0
125.02345	0.8
131.03407	1.5
133.02850	1.0
134.03613	0.6
135.04434	3.4
137.02359	0.6
144.05682	1.1
145.02855	2.0
147.04428	0.7
149.04459	1.0
153.01855	0.9
153.05400	0.7
158.03587	0.7
159.04417	6.8
160.04753	0.5
161.02364	2.5
161.04425	1.0
165.05638	0.5
167.03334	0.7
172.05225	4.7
173.05997	8.3
174.06357	0.7
179.03442	2.3
185.06020	0.6
187.07587	4.5
189.05502	4.5
190.02597	0.6
190.06198	0.8
191.07080	2.1
201.05496	1.3
203.07072	1.9
203.46664	0.5
205.05000	0.8
205.08676	0.7
213.05482	0.6
217.08647	1.0
217.70651	0.7
224.04593	0.6
225.05551	1.4
225.14842	0.7
240.04195	2.2
241.05016	12.4
242.05484	1.3
253.05037	3.5
253.08769	0.7
254.05455	0.6
255.06602	5.9
256.07281	0.9
259.05847	0.5
263.07065	0.7
264.07941	0.5
265.08701	0.7
267.06638	2.4
267.10040	0.8
268.07391	2.9
269.08084	2.4
269.17572	0.8
278.06104	0.4
279.06607	1.9
280.07397	2.2
281.08246	4.6
282.08691	1.2
283.09747	3.4
284.10278	0.5
295.09744	9.1
296.10413	3.6
297.11115	0.5
298.08487	1.4
299.09290	6.6
300.09622	0.9
307.08163	0.8
311.09302	9.6
311.12781	0.8
312.09747	1.7
313.10812	13.8
314.11185	1.8
325.10812	1.7
326.11591	9.1
327.12085	1.6
329.10397	4.6
329.13943	0.6
329.16083	0.7
330.10919	0.5
341.13916	14.3
342.10669	0.6
342.14429	2.1
343.11740	2.4
344.12625	33.4
345.13052	4.7
359.15005	100.0
360.15359	12.6
371.81534	0.5
473.18771	0.5
476.17389	0.6
491.19266	77.9
492.19611	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	491.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	1.1
55.13879	0.9
57.03309	2.0
58.00457	3.8
59.01252	100.0
60.01562	1.2
61.98701	14.7
68.99683	0.8
71.01255	70.5
71.54821	1.0
72.01594	1.5
72.99194	6.1
73.02824	3.5
75.00733	4.4
75.63892	1.0
83.01267	2.0
85.02831	12.4
87.00764	3.8
89.02318	88.7
90.02646	1.4
93.03326	2.6
95.01267	1.7
97.06461	1.2
99.00755	1.7
99.04409	1.2
101.02320	13.6
107.04919	1.7
108.02058	5.9
109.02847	8.4
110.03098	1.1
113.02328	14.2
117.03331	2.1
119.03387	3.7
119.04905	1.6
120.99513	1.4
121.02835	8.0
122.03661	6.8
123.00784	2.0
123.04412	28.7
124.01586	2.0
124.04743	1.3
125.02351	3.1
131.03392	11.1
132.02054	6.9
133.02879	8.0
134.03662	11.6
135.04430	15.4
136.01581	2.1
137.02332	4.3
137.06015	1.3
139.03870	1.2
145.02872	5.9
147.04393	1.6
149.02318	3.2
149.04440	13.7
149.05939	2.9
150.03120	8.4
151.03879	3.4
152.01031	1.7
153.01810	3.1
153.05496	13.6
154.02477	1.1
158.03593	1.1
159.04408	8.4
160.01573	41.5
160.05202	19.2
161.02361	25.9
161.04407	1.9
161.06006	5.2
162.02794	2.1
163.03923	2.7
164.04662	1.5
165.01704	1.3
165.05460	8.8
167.03363	2.7
171.04404	1.2
171.92653	1.0
172.05209	10.9
173.06006	7.9
174.06668	1.3
175.03931	58.9
175.07492	8.5
176.00996	1.6
176.04367	4.5
177.05420	1.7
178.02605	1.4
178.77997	1.0
179.03407	6.7
179.05525	1.5
181.04944	1.0
181.12288	1.0
183.06604	1.3
187.07550	3.5
188.04733	1.4
189.05487	19.7
190.06265	20.6
191.01944	1.1
191.03436	4.6
191.06880	3.7
192.03949	1.2
193.04993	9.4
195.06596	5.2
202.06339	1.1
203.03426	3.8
205.05061	1.3
205.08626	19.7
207.06627	1.2
218.05641	2.0
221.04434	1.3
233.08083	3.6
235.06067	3.8
236.06848	3.6
236.63245	1.1
236.93872	1.1
251.09151	8.5
252.09480	1.1
269.17569	1.4
281.08060	4.5
293.08276	2.3
295.09232	1.4
296.10526	11.3
297.10925	1.5
308.10596	1.3
311.12839	12.7
312.13309	2.7
315.10748	4.2
323.07693	1.3
326.11731	3.2
329.13864	4.2
337.09174	8.8
338.09500	1.1
341.13925	84.8
342.14203	11.2
375.27451	3.0
384.76218	1.2
447.15704	1.2
491.15463	38.3
491.29370	1.8
492.15823	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	491.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.4
57.03320	1.5
58.00452	1.4
59.01252	38.6
61.51330	0.4
61.98709	4.5
69.03325	0.7
70.87428	0.8
71.01254	26.1
71.24787	0.5
72.99187	2.9
73.02820	3.7
75.00743	0.6
78.74838	0.4
83.01261	2.1
85.02824	7.0
87.00747	1.4
89.02318	18.7
91.01765	1.0
99.00774	1.1
101.02326	4.6
108.02057	2.0
109.02841	17.2
110.03196	0.8
111.00732	0.6
113.02332	2.5
117.03327	0.6
119.03361	1.2
120.99557	0.5
121.02859	0.5
122.03652	1.2
123.04398	3.8
124.01548	1.0
125.02345	0.8
131.03407	1.5
133.02850	1.0
134.03613	0.6
135.04434	3.4
137.02359	0.6
144.05682	1.1
145.02855	2.0
147.04428	0.7
149.04459	1.0
153.01855	0.9
153.05400	0.7
158.03587	0.7
159.04417	6.8
160.04753	0.5
161.02364	2.5
161.04425	1.0
165.05638	0.5
167.03334	0.7
172.05225	4.7
173.05997	8.3
174.06357	0.7
179.03442	2.3
185.06020	0.6
187.07587	4.5
189.05502	4.5
190.02597	0.6
190.06198	0.8
191.07080	2.1
201.05496	1.3
203.07072	1.9
203.46664	0.5
205.05000	0.8
205.08676	0.7
213.05482	0.6
217.08647	1.0
217.70651	0.7
224.04593	0.6
225.05551	1.4
225.14842	0.7
240.04195	2.2
241.05016	12.4
242.05484	1.3
253.05037	3.5
253.08769	0.7
254.05455	0.6
255.06602	5.9
256.07281	0.9
259.05847	0.5
263.07065	0.7
264.07941	0.5
265.08701	0.7
267.06638	2.4
267.10040	0.8
268.07391	2.9
269.08084	2.4
269.17572	0.8
278.06104	0.4
279.06607	1.9
280.07397	2.2
281.08246	4.6
282.08691	1.2
283.09747	3.4
284.10278	0.5
295.09744	9.1
296.10413	3.6
297.11115	0.5
298.08487	1.4
299.09290	6.6
300.09622	0.9
307.08163	0.8
311.09302	9.6
311.12781	0.8
312.09747	1.7
313.10812	13.8
314.11185	1.8
325.10812	1.7
326.11591	9.1
327.12085	1.6
329.10397	4.6
329.13943	0.6
329.16083	0.7
330.10919	0.5
341.13916	14.3
342.10669	0.6
342.14429	2.1
343.11740	2.4
344.12625	33.4
345.13052	4.7
359.15005	100.0
360.15359	12.6
371.81534	0.5
473.18771	0.5
476.17389	0.6
491.19266	77.9
492.19611	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	491.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24037	1.3
55.01760	1.7
57.03328	3.4
58.00468	3.3
59.01252	96.8
61.98705	8.1
71.01256	73.9
72.99175	6.8
73.02816	18.4
75.00749	2.9
83.01272	3.4
85.02815	13.2
87.00735	4.1
89.02322	100.0
90.02692	1.5
95.01259	1.8
97.02837	2.1
99.00767	17.2
101.02328	51.1
101.05983	7.0
102.02666	2.0
108.02054	6.0
109.02835	14.6
109.81265	1.4
113.02327	16.6
115.00269	2.8
117.03341	7.5
119.03384	9.3
119.04910	8.3
121.06504	2.0
123.04401	7.2
125.02325	6.1
131.03404	25.5
133.02890	2.2
136.01559	4.9
137.02338	5.6
143.03368	2.9
145.02858	28.9
146.03242	1.8
149.02425	3.2
149.04468	70.8
150.04834	1.5
152.07101	2.0
152.51732	1.3
153.05495	2.3
160.01566	2.4
161.02338	4.4
161.04497	5.0
163.03911	9.9
164.04703	3.2
165.05492	1.3
167.03400	2.1
175.03883	2.6
179.07114	2.5
181.01381	4.3
183.10233	2.2
191.05544	15.3
201.11461	1.7
262.27283	1.5
265.07111	3.4
285.12387	3.6
293.09018	1.9
311.16278	2.1
311.22247	1.8
329.23187	2.8
373.25906	6.1
375.27487	35.2
376.28015	4.2
431.22827	4.1
491.22659	21.4
491.28824	22.5
492.23166	3.9
492.29266	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	491.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22618	7.8
58.82996	7.5
59.01252	88.9
60.26588	7.0
61.98702	16.0
65.25494	7.4
67.49200	6.7
70.10441	27.4
70.26735	7.9
71.01247	20.9
78.95770	100.0
84.17536	7.1
88.05387	9.0
96.95886	12.0
96.96889	8.6
101.02285	9.6
113.02357	8.2
144.07504	7.0
152.99469	14.7
167.69377	7.2
171.00519	22.4
183.60312	8.2
293.37717	8.2
359.24277	9.8
439.20242	7.9
491.26312	14.9
492.27106	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57033	12.8
59.01250	100.0
61.98695	61.7
67.92909	14.9
68.18514	13.1
71.01261	87.6
71.53587	16.3
71.54003	14.0
72.27330	12.3
73.02849	15.0
74.72829	11.9
78.95774	87.4
85.02843	25.1
86.92597	12.1
89.02340	33.0
96.95910	16.6
97.79622	14.9
99.00740	22.8
101.02316	46.4
113.02327	30.6
121.02809	15.7
123.04372	20.2
125.02319	23.1
147.77046	15.4
152.99506	27.0
161.04402	24.5
171.10233	28.6
209.11726	34.4
214.01212	12.9
224.14651	14.3
263.12900	16.4
277.21835	25.2
295.22879	84.2
354.36935	13.9
458.97195	16.3
473.25623	22.6
491.26804	79.6
491.35715	92.0
492.27432	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.4
57.03311	0.3
58.00458	0.3
58.10215	0.2
59.01252	100.0
60.01593	0.9
69.38029	1.4
69.38441	0.4
71.01260	6.7
72.99184	0.4
73.02836	0.8
83.01275	1.0
85.02834	2.2
87.00792	0.3
89.02318	4.7
89.02830	0.4
91.81998	0.2
95.01270	0.4
96.95918	0.4
99.00790	0.4
101.02320	5.5
113.02345	2.6
119.03391	1.8
119.04992	0.3
121.02784	0.2
161.04466	0.5
211.54338	0.3
251.20181	1.3
413.25949	0.3
431.26501	42.5
432.26837	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	491.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.7
58.00472	0.8
59.01254	100.0
60.01582	1.5
61.98709	1.0
69.03337	1.3
71.01258	8.3
72.99184	1.1
73.02834	0.7
78.95814	0.7
83.01276	0.6
83.04932	0.5
85.02829	2.3
87.00838	0.5
89.02326	10.8
95.01284	0.6
96.95906	0.7
97.02780	0.4
101.02332	7.6
113.02341	3.7
115.10954	0.5
119.03406	7.3
131.03464	0.5
143.03476	1.2
149.04419	0.5
161.04478	1.1
179.05504	2.8
183.17450	4.3
189.62978	0.4
205.19806	0.7
209.19179	0.7
215.03735	0.4
221.19133	1.2
251.20235	0.4
421.07315	0.5
431.26535	25.0
432.26700	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	491.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.7
57.03317	1.5
58.00464	1.2
58.68742	0.3
59.01252	19.0
61.98698	1.3
69.03312	0.7
70.94548	0.7
71.01258	21.1
72.99184	2.5
73.02819	3.0
75.00755	0.6
81.03375	0.4
83.01265	1.3
85.02816	3.2
87.00744	1.2
87.04406	0.9
89.02321	18.0
90.02650	0.6
93.03360	0.4
95.01271	1.0
97.02822	0.7
99.00759	0.8
101.02332	10.6
101.05951	0.8
108.02053	0.4
109.02892	0.4
111.00768	0.4
113.02352	5.1
113.03089	0.7
113.09601	0.4
115.00265	6.4
115.07510	0.4
117.03345	4.1
118.03703	0.5
119.03383	3.1
119.04918	1.4
119.30189	0.4
123.00778	3.0
123.04436	1.1
123.08036	1.2
124.01363	0.4
125.02319	1.7
131.03392	7.2
134.03647	6.2
135.04308	0.5
137.02362	0.6
138.03104	1.2
143.03455	1.0
145.02867	12.7
146.03242	1.8
147.03445	0.4
149.04465	11.3
149.05855	0.8
153.01825	1.2
153.05437	0.4
153.09129	0.6
155.10687	0.6
157.08710	0.5
157.12242	1.7
161.02345	0.9
161.04448	1.1
161.05882	0.4
163.03909	1.1
167.10680	1.8
168.04160	1.0
169.12231	0.6
171.10146	0.8
175.03941	0.6
179.05577	0.6
185.11781	1.2
191.05566	2.8
192.48288	0.4
193.04982	8.0
201.11270	1.0
215.12920	0.8
221.06601	0.8
263.07507	0.4
307.08279	1.5
311.22250	1.4
323.09793	0.4
327.25412	0.5
329.10291	2.9
329.23325	2.3
339.34000	0.4
348.23651	0.4
355.25186	0.5
357.26373	1.9
373.25909	2.6
375.27521	100.0
376.27866	12.3
395.91641	0.4
431.22385	0.4
448.46881	0.4
473.27771	0.6
491.18027	1.7
491.28513	9.6
492.29385	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	493.0632
Annotation	Gossypetin 8-glucuronide
Peak:m/z	Relative Intensity
57.03328	5.4
58.00460	0.9
58.99435	0.7
59.01253	29.9
61.98705	43.3
62.98381	0.9
63.99141	0.9
65.00204	1.2
71.01256	20.1
71.53781	1.1
72.99171	4.5
73.02822	7.4
75.00752	1.6
83.01257	3.7
85.02825	8.0
87.00742	1.9
87.04429	0.8
89.02318	14.4
93.03337	3.1
95.01272	3.5
99.00745	3.3
99.04411	2.7
101.02325	13.6
107.01280	3.0
109.02836	8.9
109.99963	0.9
111.00777	3.6
112.59676	0.8
113.02333	8.2
119.03390	4.7
119.04929	2.6
121.02853	2.7
123.00774	2.9
123.04390	3.0
124.01607	1.6
125.02355	6.5
130.74521	0.9
131.03392	1.7
133.02838	4.3
134.03580	1.6
135.04398	3.4
137.02325	6.0
139.00281	8.1
139.03889	1.2
143.03389	1.1
145.02875	0.9
147.04411	1.0
148.03958	1.0
149.02333	2.8
149.04427	2.0
150.03020	1.2
151.00278	11.8
151.03970	1.4
151.44276	0.8
152.01096	1.9
153.01849	8.7
153.05487	1.0
154.02603	1.8
159.02908	0.9
161.02362	14.1
161.04453	6.5
161.05757	1.4
162.02753	1.0
163.00333	3.8
163.03917	2.8
163.06055	1.0
164.01065	2.0
165.01865	3.3
165.05463	1.1
165.98973	1.7
166.02623	1.0
166.04955	1.3
166.99788	5.6
167.03419	1.0
169.01291	1.8
171.04495	1.4
175.03856	2.3
178.02621	1.4
178.62785	0.8
178.99805	7.1
179.03423	3.0
179.05511	4.9
180.04211	3.5
181.04993	1.7
183.10196	15.9
184.10583	0.9
187.03961	1.3
191.03401	1.0
192.00458	0.9
193.01294	1.3
193.03383	1.6
194.99284	1.9
195.06532	2.5
196.03790	0.8
199.03954	2.6
203.03407	1.6
206.99309	2.1
208.00050	2.0
217.05025	1.5
227.03360	4.1
231.03030	1.4
243.02974	1.5
245.04555	1.7
255.02934	1.6
259.02371	1.1
267.10883	16.3
268.98639	0.9
270.88730	0.8
271.02371	6.0
272.02658	1.0
273.04044	1.8
282.47705	0.9
287.02066	1.4
297.06152	5.3
299.01923	8.5
300.02344	1.0
305.51077	0.9
315.01511	2.5
316.02203	1.1
317.03021	100.0
318.03354	9.6
323.07758	2.2
331.17734	1.5
349.18500	1.2
358.10321	1.4
359.11420	2.1
373.12946	3.0
389.12204	1.5
404.14777	1.6
419.17151	9.8
433.24756	4.0
493.06372	5.3
493.13406	13.7
493.22742	3.8
493.30472	2.2
494.06552	1.6
494.13779	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0989
Annotation	Quercetagetin 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
59.01250	14.5
61.98693	1.8
65.00197	2.0
68.99681	0.8
71.00950	0.8
71.01257	8.9
71.35965	0.7
73.02812	2.4
73.61857	0.8
74.02811	0.7
83.01253	1.2
85.02818	3.0
87.00761	1.0
89.02336	5.8
95.01258	2.2
101.02335	6.2
108.02040	1.2
109.02824	1.3
109.61492	0.8
109.99965	2.0
111.00760	2.9
113.02299	2.6
115.78072	0.7
118.34819	0.8
119.03387	2.3
119.04868	0.8
121.02890	1.2
123.00748	2.2
123.04388	2.3
124.01557	1.1
125.02352	1.4
130.39276	0.8
130.71056	0.8
133.02875	1.0
135.00693	1.1
135.04367	1.6
136.98683	1.7
137.05995	2.0
139.00267	3.0
139.11163	0.8
145.02844	3.4
149.05977	1.8
151.00288	3.6
152.01044	2.7
153.01802	1.7
161.02307	2.1
161.04446	2.2
163.00287	2.0
163.03888	0.9
164.01120	0.9
165.05600	0.9
165.98969	2.4
166.99727	2.0
167.03419	2.8
171.04436	2.3
178.99786	2.5
179.03349	1.1
179.05487	1.5
181.05049	5.9
183.10190	4.1
186.03181	1.4
187.03949	1.9
189.01880	1.3
193.01419	1.2
193.98439	1.0
199.03870	1.5
201.01869	0.8
203.03368	1.5
206.04620	0.8
213.02013	1.2
214.02588	1.4
215.03484	4.4
217.01378	0.9
231.02965	3.1
241.01381	2.2
242.02209	3.8
243.03006	6.3
245.04677	1.0
257.04486	2.0
258.01645	5.4
259.02466	7.6
267.10895	2.0
269.00806	1.0
270.01651	5.7
271.02481	3.9
272.03391	4.4
273.04175	4.2
274.04709	0.9
280.76013	0.9
285.04016	10.5
286.01187	4.2
286.04578	2.5
287.01956	31.5
287.05542	7.6
288.02258	2.1
298.01031	2.3
299.02020	2.7
300.09662	1.1
301.03552	9.3
302.04318	14.2
303.04825	1.4
311.07666	7.0
313.03452	6.0
314.03989	1.4
315.01526	6.2
316.02020	4.3
329.03180	1.5
330.03760	24.8
331.04556	19.0
364.85587	1.1
433.24377	8.5
475.08347	1.0
492.19623	3.9
493.09869	100.0
493.21094	3.2
494.10266	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	493.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.5
55.31779	0.4
57.03320	1.4
58.00467	0.7
59.01251	16.0
61.98699	1.5
65.00177	0.6
69.50372	2.6
69.86674	0.5
71.01253	12.5
72.99164	1.1
73.02817	2.9
75.00753	0.6
83.01264	1.5
85.02823	4.6
85.13251	0.4
87.00757	1.7
89.02321	10.6
93.03342	1.1
95.01267	0.6
97.02887	0.7
99.00770	0.6
101.02324	9.6
101.02991	0.5
107.01265	0.6
108.02037	2.3
109.02840	1.5
111.00816	0.7
113.02341	6.2
117.03342	1.4
119.03400	4.0
119.04918	0.7
119.22086	0.6
120.99562	0.9
121.02856	2.5
121.06487	0.5
122.03628	100.0
123.00824	0.7
123.04394	5.9
124.04750	0.7
124.05624	0.5
124.98688	0.6
125.02328	2.0
131.03366	2.3
132.02100	0.6
133.02866	0.8
134.03659	0.6
135.04431	1.3
137.02353	2.5
137.05992	2.3
139.00262	0.8
139.03873	0.7
139.11227	1.0
143.03383	1.2
143.05104	0.5
145.02852	5.6
146.03215	0.5
147.04431	1.4
149.02419	0.8
150.03149	1.1
151.00256	1.7
151.03929	1.2
152.01068	2.5
153.01843	1.9
153.05392	0.6
154.99815	0.7
161.02359	1.5
161.04474	2.9
162.03172	0.6
163.03889	1.9
165.05490	9.0
166.02647	0.6
166.05893	0.6
167.03409	40.1
168.03746	2.3
169.01324	0.9
175.03896	0.9
175.48215	0.5
177.01910	1.0
177.05476	2.5
178.99825	0.7
179.03452	0.8
179.05536	5.2
179.06993	0.8
181.04988	4.8
183.10138	2.2
192.00510	0.5
193.01337	0.7
193.05023	0.6
195.06511	0.6
199.03970	0.6
209.04601	0.9
212.00101	0.4
221.06665	2.8
227.03510	0.7
231.03001	0.8
239.05647	0.8
258.01685	0.4
259.02554	0.7
267.10883	0.9
270.01611	0.5
271.02533	0.6
285.04010	1.0
287.02072	2.5
287.05020	0.6
301.03644	1.0
302.04150	0.7
311.07733	12.4
311.11304	0.9
312.08194	1.0
313.03568	0.7
315.01550	1.2
330.03860	2.3
331.00986	0.6
331.04532	1.2
433.24277	1.2
449.14493	7.6
450.14963	0.8
475.09314	0.5
493.09036	6.4
493.21823	3.7
493.29684	0.7
493.34113	0.8
494.09583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	1.7
57.03324	4.1
58.00457	2.5
59.01255	55.6
60.01597	2.4
61.98707	15.4
70.92723	3.7
71.01254	46.8
72.01599	2.7
72.99174	9.6
73.02820	8.9
75.00735	3.1
81.63525	1.6
83.01240	4.5
84.60181	1.4
85.02827	15.6
87.00738	4.6
89.02322	38.9
90.02663	4.0
93.03330	9.4
95.01244	1.9
97.02833	2.9
99.00737	5.5
101.02325	24.4
102.02552	1.4
107.04960	1.7
108.02059	7.3
109.02850	7.7
111.00735	2.5
113.01750	1.3
113.02347	14.2
117.03350	26.4
119.03375	5.6
119.04919	8.5
120.97847	1.6
121.02859	3.7
122.03610	2.5
123.00766	2.8
123.04427	22.6
124.01561	4.1
125.02364	9.4
131.03404	4.6
133.02817	3.8
133.06448	3.2
134.03604	1.8
135.04411	4.0
137.02348	19.8
138.01872	2.3
138.03091	1.9
139.00217	2.4
139.03918	13.8
140.01042	2.6
142.71252	1.5
143.03453	2.8
145.02861	100.0
146.03171	5.1
148.05212	2.0
149.02348	7.0
149.04424	4.9
150.03120	17.8
151.03888	6.3
151.69742	1.6
152.01091	12.3
153.01826	4.9
153.05484	20.0
160.01552	4.7
160.05124	2.8
161.02260	6.2
161.04456	4.9
161.05675	3.2
162.02855	1.4
163.03946	13.5
164.04565	1.6
165.05502	21.6
167.03360	8.3
169.01263	3.1
169.04968	25.5
175.03944	4.3
177.01758	4.8
177.05592	9.3
179.03473	2.2
179.05487	7.5
179.07010	3.1
181.04898	2.8
181.08672	2.1
183.10175	3.5
189.05542	2.4
190.06165	2.6
193.05072	2.2
195.06543	5.8
205.05066	1.8
206.09045	2.0
221.06573	2.3
233.06639	4.8
235.06094	2.0
265.07233	2.1
281.06546	2.4
293.08804	14.3
298.11044	2.0
311.07813	2.4
312.13040	2.2
313.23981	2.1
318.85275	1.5
331.17740	3.6
331.24939	4.1
341.13882	4.5
342.14142	4.5
343.14600	10.4
348.17596	1.5
353.08600	2.4
389.16037	8.1
433.24429	4.3
435.09360	1.7
475.12482	5.6
493.14453	15.2
493.20782	38.2
493.30121	19.5
494.14651	2.9
494.20868	5.8
507.08847	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
57.03322	0.6
59.01254	6.0
61.98709	2.2
71.01259	4.0
71.54664	0.4
73.02806	1.7
75.23833	0.3
78.76711	0.3
80.91001	0.3
83.01233	0.8
85.02814	1.8
87.00745	0.4
89.02338	1.4
93.03336	1.2
94.36942	0.4
95.01254	0.5
99.00763	0.8
101.02318	2.6
105.03369	0.6
109.02802	0.5
113.02328	1.6
117.03355	1.4
119.03378	0.4
123.04409	2.0
124.01550	0.3
127.47385	0.3
131.03561	0.3
132.02055	2.3
133.02858	38.0
134.03249	1.6
135.04417	8.8
136.04774	0.6
136.47829	0.4
137.02309	1.9
139.03920	0.7
145.02843	0.4
150.03156	0.4
161.02354	100.0
162.02690	5.8
163.03934	1.1
165.05415	0.5
167.03477	0.7
171.10123	0.5
179.03441	4.6
209.11771	0.9
221.04529	0.3
331.19092	1.3
433.28030	2.3
493.20810	60.7
494.21048	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	493.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93050	0.4
55.01754	0.9
57.03315	1.1
58.00455	0.5
59.01251	9.6
61.98702	6.0
69.03320	0.5
70.56636	0.9
70.56979	0.6
71.01251	10.3
72.99186	1.2
73.02818	3.2
75.00753	0.9
82.56019	0.4
83.01266	1.4
84.62049	0.4
85.02821	4.3
87.00758	0.9
89.02322	3.3
93.03335	0.8
95.01275	1.1
99.00774	1.5
99.04365	0.4
101.02321	7.0
108.02081	1.1
109.02821	0.8
110.32051	0.5
110.46312	0.4
111.00761	0.9
112.52084	0.4
113.02340	4.3
117.03350	27.0
118.03689	1.1
119.03370	0.9
119.04919	7.0
121.02831	1.0
122.03601	1.3
123.04398	3.9
125.02335	1.1
133.02855	0.5
137.02328	2.1
138.02786	0.4
139.00253	0.9
145.02856	100.0
146.03194	5.0
150.03154	0.9
151.03949	0.8
152.04663	0.7
153.05457	3.6
154.02647	0.9
160.01563	0.6
161.02368	0.9
161.04478	1.9
161.05943	0.8
163.00302	0.8
163.03934	11.1
164.01035	0.7
164.04445	0.6
165.05458	1.1
167.03438	0.6
167.07039	0.5
169.04985	0.6
175.03935	0.8
177.01849	0.6
178.02647	1.7
179.03389	2.2
191.03452	0.6
193.04982	1.3
195.06589	0.7
205.04919	1.0
216.12141	0.4
217.00845	0.4
217.16112	0.4
230.19098	0.4
265.07251	0.5
301.16623	4.5
302.17035	0.7
307.08142	1.1
313.23856	1.0
331.11874	11.8
331.24924	3.6
332.12027	0.6
433.20572	7.7
434.21439	1.0
472.66110	0.4
475.28778	0.6
493.20856	49.4
493.30191	25.2
494.21237	8.6
494.30429	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	493.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.0
57.03313	3.7
58.00460	2.4
59.01252	100.0
61.98698	10.7
64.75497	1.7
65.95885	1.8
71.01258	63.9
71.55138	2.8
72.99168	4.3
73.02818	14.3
75.00740	5.5
83.01257	7.4
85.02821	17.0
87.00756	5.7
89.02318	71.0
90.02660	2.4
93.03320	3.6
94.36662	1.8
95.01302	4.1
96.95874	1.8
99.00761	5.9
101.02323	48.7
101.77856	1.9
113.02327	20.8
117.03347	23.1
119.03419	11.6
119.04922	11.7
123.04413	8.8
125.02335	14.3
131.03404	36.7
133.02901	3.1
137.02327	6.4
143.03377	3.4
145.02856	96.4
146.03178	5.1
147.95377	1.7
149.02304	2.1
149.04463	45.8
150.03040	2.2
150.04794	2.6
152.07201	1.8
153.05496	8.2
153.06526	1.7
160.01631	3.0
161.02345	6.9
161.04442	8.6
163.03920	13.7
164.04375	1.8
165.05498	3.2
175.03862	3.8
179.05508	5.6
191.05551	16.8
197.11681	2.1
249.52638	2.0
301.16528	7.9
315.17984	12.8
331.08215	2.0
331.24802	7.9
361.22253	2.6
433.20572	16.1
434.20773	2.4
447.22391	10.3
493.20737	54.8
493.30084	43.8
494.21112	6.2
494.30655	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	493.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.0
57.03313	3.7
58.00460	2.4
59.01252	100.0
61.98698	10.7
64.75497	1.7
65.95885	1.8
71.01258	63.9
71.55138	2.8
72.99168	4.3
73.02818	14.3
75.00740	5.5
83.01257	7.4
85.02821	17.0
87.00756	5.7
89.02318	71.0
90.02660	2.4
93.03320	3.6
94.36662	1.8
95.01302	4.1
96.95874	1.8
99.00761	5.9
101.02323	48.7
101.77856	1.9
113.02327	20.8
117.03347	23.1
119.03419	11.6
119.04922	11.7
123.04413	8.8
125.02335	14.3
131.03404	36.7
133.02901	3.1
137.02327	6.4
143.03377	3.4
145.02856	96.4
146.03178	5.1
147.95377	1.7
149.02304	2.1
149.04463	45.8
150.03040	2.2
150.04794	2.6
152.07201	1.8
153.05496	8.2
153.06526	1.7
160.01631	3.0
161.02345	6.9
161.04442	8.6
163.03920	13.7
164.04375	1.8
165.05498	3.2
175.03862	3.8
179.05508	5.6
191.05551	16.8
197.11681	2.1
249.52638	2.0
301.16528	7.9
315.17984	12.8
331.08215	2.0
331.24802	7.9
361.22253	2.6
433.20572	16.1
434.20773	2.4
447.22391	10.3
493.20737	54.8
493.30084	43.8
494.21112	6.2
494.30655	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	493.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	6.7
57.03328	9.6
58.00476	2.7
59.01250	100.0
61.98704	17.7
71.01254	80.8
71.01660	2.9
71.54790	2.5
72.99175	5.9
73.02818	24.0
75.00748	53.2
83.01263	16.0
85.02827	40.1
87.00751	7.7
89.02320	55.5
93.03354	2.2
95.01287	5.7
97.02811	2.4
99.00771	7.8
101.02325	78.7
108.02034	2.6
109.02850	4.2
111.00713	3.3
113.02329	41.3
114.02709	3.0
117.03351	22.9
119.03421	16.3
119.04909	7.9
123.04411	7.9
125.02355	29.6
129.01775	2.0
131.03406	31.9
133.02835	11.9
135.04420	4.7
137.02332	3.4
137.81259	1.8
143.03362	6.1
145.02858	94.4
146.03151	3.5
149.02370	2.2
149.04465	18.8
151.00299	2.0
151.11259	1.7
153.01814	2.3
153.05470	3.7
159.02884	7.2
161.02370	34.8
161.04456	28.3
163.03900	9.3
165.05518	4.1
165.99585	2.0
166.02695	4.1
167.03455	4.5
175.03915	2.0
177.01912	2.9
179.03502	1.7
179.05505	7.4
181.04970	5.1
191.05542	10.3
221.06630	12.5
254.08450	1.9
265.07394	2.7
287.14087	2.4
301.16656	2.7
311.07632	2.9
315.18124	24.0
316.18436	3.4
331.17670	26.8
331.24844	5.8
332.18051	2.4
361.22055	2.5
383.11490	3.4
433.24445	2.8
446.23520	2.0
447.15958	2.7
447.22296	74.2
448.22745	11.5
493.21350	83.1
493.30090	17.9
494.21503	16.8
494.30411	3.5
517.97913	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	493.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37569	0.6
51.25204	0.7
55.01752	1.8
57.03312	2.0
58.00469	1.2
59.01252	25.9
61.98705	9.1
68.79989	0.6
68.99679	0.8
69.43404	4.6
71.01255	22.7
72.99177	1.7
73.02818	7.1
75.00758	2.1
83.01257	4.5
85.02820	10.0
85.99979	1.0
87.00755	2.2
89.02313	8.2
93.03338	27.2
94.03701	0.9
95.01249	2.9
97.02790	0.8
99.00761	2.9
101.02325	17.2
101.05936	2.4
108.02074	1.8
110.05064	0.7
111.00787	0.9
113.02342	8.0
117.03357	3.4
119.03397	2.8
119.04904	1.9
121.02839	2.9
121.06480	0.7
123.04395	3.0
125.02316	2.6
131.03404	1.0
132.02104	1.6
133.02856	35.0
134.03310	0.8
135.04425	10.5
136.01604	4.1
137.02347	71.4
138.02711	2.2
145.02861	7.9
146.03166	0.7
147.04453	1.1
149.04485	3.3
149.05998	1.0
151.03874	0.9
153.05476	2.2
159.02972	1.0
161.02354	100.0
161.04535	2.5
162.02710	5.8
163.03897	2.4
165.05522	0.9
167.03430	3.3
175.03925	0.8
177.05563	3.7
179.03442	8.7
191.05602	0.9
221.04520	2.9
245.27534	0.7
281.06668	2.8
292.53412	0.9
313.23889	2.1
316.35733	0.7
331.24927	7.9
332.25244	1.0
361.22281	0.9
447.22479	4.3
475.20572	0.8
475.28992	1.1
493.24234	95.7
493.30704	28.5
494.24570	19.0
494.31046	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	5.2
61.98692	2.8
67.01770	2.4
70.86834	3.3
70.87176	3.6
71.01232	2.7
72.88821	2.5
94.09001	2.0
96.95856	2.4
97.20530	2.4
121.99097	2.6
123.00764	25.8
133.06503	2.8
138.03120	12.2
159.04395	2.7
160.05150	3.3
162.03189	4.8
163.07536	2.9
171.08038	2.5
172.05179	2.4
174.06761	3.8
187.07649	4.9
193.08640	19.0
201.08983	2.1
202.06445	2.6
213.05347	2.4
213.09239	2.3
214.09956	2.5
215.07069	23.1
216.07703	5.5
255.13947	3.1
281.08191	5.9
283.17102	4.3
284.14127	17.4
285.14368	2.8
299.16541	59.7
300.16757	7.8
311.12881	21.4
312.13007	3.4
325.62766	2.3
334.65314	2.4
350.15161	3.9
389.17297	3.8
404.19724	8.8
419.22214	4.2
434.24625	100.0
435.24915	14.9
449.26978	85.1
450.27274	22.7
453.40598	2.4
478.23688	3.2
493.25720	14.6
493.32196	2.2
493.35828	3.7
494.26367	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	493.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40614	1.6
55.01748	1.8
57.03316	3.4
58.00453	1.7
59.01254	66.6
61.98705	10.3
65.00182	2.1
65.10942	1.5
65.67517	1.9
67.01774	1.7
69.63150	3.7
69.63558	6.7
71.00893	2.3
71.01260	38.2
72.99176	5.3
73.02818	10.1
75.00735	2.9
83.01232	4.8
85.02824	13.8
85.06454	2.7
87.00713	2.8
89.02329	24.0
95.01259	3.9
97.02858	1.8
98.19827	3.0
99.00745	3.6
101.02334	23.3
108.02012	2.1
109.02815	6.9
109.06441	2.2
109.99947	1.9
111.00755	4.2
113.02336	15.6
117.03339	5.5
119.03387	10.1
119.04890	4.2
121.02816	6.0
122.03638	3.9
123.00740	4.7
123.04385	4.1
124.01520	3.1
125.02306	5.3
131.03368	3.6
133.02827	3.8
135.04358	4.6
135.98213	1.8
137.02318	6.6
137.05983	9.5
137.99475	2.2
139.00221	3.1
139.03906	2.1
139.11195	11.1
143.03346	3.5
145.02864	29.0
146.03577	2.2
147.04439	1.6
149.02278	2.4
149.04723	3.0
149.05989	45.7
150.03111	2.0
151.00224	6.9
151.03862	4.0
152.01001	5.8
153.01880	11.8
153.05466	1.8
154.55385	1.7
161.02345	6.7
161.04495	14.5
161.05763	3.1
163.00288	3.7
163.03874	5.2
163.11111	1.9
165.01799	2.6
165.05428	5.1
165.09084	4.1
165.98953	2.8
166.02609	2.2
166.99718	3.7
167.03407	12.2
168.04018	5.1
171.04430	2.2
175.03835	3.0
177.01808	5.2
178.99715	3.4
179.05467	6.2
179.07021	3.8
181.04991	22.1
183.10196	17.6
186.03044	2.4
187.03888	2.3
189.01825	5.4
195.02977	1.8
199.03859	2.1
203.03415	3.5
205.04999	3.0
215.03336	6.1
217.01300	4.7
230.01910	2.1
231.02841	2.2
242.02176	7.5
243.02864	8.6
257.04565	3.3
258.01578	7.4
259.02338	9.7
267.10889	15.4
270.01630	6.7
271.02322	5.7
271.19220	3.0
272.03128	5.9
273.03897	4.2
274.04550	2.0
281.06662	1.7
285.03940	11.3
286.01031	4.8
286.04291	2.4
287.01865	38.6
287.05447	9.5
288.02216	5.1
298.00983	2.7
299.01843	3.7
301.03574	12.0
302.04288	14.0
303.04797	2.1
311.07748	22.3
312.07901	4.1
313.03424	8.4
315.01517	8.2
316.02167	5.0
316.07483	1.7
330.03784	28.2
331.04544	23.3
331.17450	1.9
341.06546	4.0
361.16437	6.5
433.24426	27.2
434.24713	4.6
457.16846	3.8
475.08868	2.1
475.21240	1.8
493.09680	100.0
493.21939	31.0
493.29617	5.0
494.10165	14.4
494.22696	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	493.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39229	0.6
54.12902	0.6
55.01758	2.6
57.03328	2.8
58.00465	1.5
59.01251	33.5
61.98707	8.6
68.99721	0.8
69.34075	4.9
71.01255	30.4
72.99189	2.0
73.02824	8.7
75.00759	2.1
83.01263	6.1
83.04868	0.8
85.02827	11.8
87.00753	4.0
89.02319	13.6
93.03342	16.2
95.01231	3.0
97.02844	1.8
99.00763	2.7
101.02322	19.4
101.05962	4.9
102.02638	0.7
108.02060	5.2
109.02847	1.8
111.00787	1.5
113.02326	9.4
114.02633	0.6
117.03356	4.0
119.03419	3.3
119.04888	2.7
121.02857	3.9
122.03639	4.0
123.04413	5.4
124.01579	0.7
125.02331	2.2
125.05897	0.7
127.11189	0.7
131.03419	3.0
133.02840	7.4
135.04411	2.6
136.01573	2.9
136.05196	1.4
137.02344	49.7
138.02740	2.6
141.09135	0.9
143.03386	1.3
143.07014	0.7
145.02849	16.2
145.03912	1.3
146.03238	1.2
147.04446	1.6
149.02351	2.2
149.04466	2.2
150.03133	2.6
151.03894	1.2
152.04684	2.7
153.05444	0.7
154.02661	0.7
157.12277	0.8
159.02841	0.8
161.02350	23.1
161.04379	4.5
161.05798	0.9
162.02763	1.2
163.00264	3.9
163.03929	4.1
164.01074	3.4
164.04742	1.5
165.01836	0.8
165.05537	3.9
167.07146	0.8
171.10239	1.0
178.02644	7.8
179.03429	10.3
179.05057	0.9
179.05571	0.9
184.93890	0.7
191.03487	0.8
191.05583	1.1
193.05013	4.5
199.07549	1.2
205.05138	0.8
221.04625	1.1
233.06564	1.1
268.03754	4.1
269.04346	0.8
281.06677	1.9
283.06158	8.6
284.06668	1.5
284.69009	0.7
295.22632	1.0
298.08487	4.6
299.08994	0.9
299.13937	0.9
311.22455	0.8
313.10733	3.1
313.23926	5.1
315.18079	1.0
329.23450	1.4
331.11884	49.6
331.24915	22.0
332.12299	5.5
332.25223	2.2
361.13049	1.2
361.22095	1.5
375.27313	0.7
447.21957	1.4
475.28967	3.7
493.24149	61.2
493.30325	100.0
494.24463	11.0
494.30707	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	494.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65538	0.3
54.97992	0.3
59.01254	0.6
61.98703	100.0
69.03308	0.4
69.42441	2.4
71.01266	0.9
79.00285	0.3
85.02820	0.5
91.86944	0.3
101.02294	0.4
108.02094	0.7
109.02905	0.5
113.02319	0.4
122.03609	1.6
123.04417	2.5
137.02382	0.5
139.11220	0.6
143.04810	0.3
145.02856	1.0
153.05542	0.4
161.04486	0.5
182.91553	0.4
183.10205	2.6
227.03464	6.9
228.03947	0.5
229.04984	0.8
255.02956	9.4
255.05440	0.7
256.03503	1.6
257.04620	0.5
284.03271	9.7
285.03998	10.1
286.04367	0.8
292.75540	0.3
431.09796	16.4
432.10233	2.5
495.18588	0.6
510.21207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35379	0.3
55.41896	0.2
59.01254	1.5
60.01561	0.3
61.01701	0.3
61.98704	100.0
70.05682	1.0
71.01241	0.3
75.18003	0.3
84.67480	0.2
86.96754	0.3
98.20412	0.4
117.36578	0.2
178.31801	0.2
209.11722	0.3
289.28424	0.3
382.68729	0.3
434.27197	0.5
511.63467	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43206	0.6
57.03333	1.0
59.01243	2.5
61.98703	100.0
70.35754	0.5
71.01247	0.7
96.95893	0.7
165.05331	0.6
209.11874	0.8
210.12338	0.6
211.13344	0.7
215.79422	0.6
229.34238	0.6
252.39656	0.6
334.13028	0.5
343.26474	1.3
359.29599	2.6
361.31204	2.2
389.34451	1.2
433.33240	6.7
441.10468	0.5
445.43805	0.6
495.26111	1.3
495.33286	17.2
495.39975	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.078
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
53.01168	1.8
53.79024	1.8
59.01240	9.5
61.98700	3.1
62.56106	2.3
63.02242	2.1
65.00196	5.2
68.99699	3.8
69.50645	14.0
71.01250	9.4
73.15269	2.1
83.01267	6.5
84.07061	2.0
85.02824	5.2
89.02310	3.6
95.01258	9.7
96.99198	2.5
98.02490	2.1
101.02321	5.9
106.00489	5.0
107.01267	7.4
108.32697	2.2
109.02845	13.5
111.00751	13.2
113.02314	3.8
118.96339	2.2
121.02810	4.0
123.00740	12.2
124.01562	5.4
124.98672	2.7
125.02308	7.1
133.02795	3.5
137.02318	4.8
139.00291	13.8
141.01894	2.1
145.02841	3.7
148.01556	4.3
148.98701	3.2
149.02332	6.8
149.99457	10.0
151.00269	28.1
152.01021	3.9
153.01831	6.4
159.04416	6.6
161.02361	7.8
163.00279	5.6
163.03905	3.6
165.01759	3.7
165.98878	2.9
166.99744	4.4
168.00580	4.1
169.01389	4.2
171.04420	7.0
173.02383	3.0
175.03880	13.7
177.01836	3.6
177.99020	10.4
178.99796	35.0
179.03363	3.0
180.00302	3.9
181.01352	2.8
185.02351	2.3
185.06544	2.0
187.03951	15.9
189.01831	6.4
190.02451	4.5
191.03387	3.8
192.00578	4.3
193.01225	3.5
194.99228	5.5
198.03174	2.5
199.03934	6.3
201.01888	3.5
202.02594	3.1
203.03436	14.4
204.04010	2.9
204.97797	4.0
205.01350	3.2
207.02879	4.7
209.00845	4.3
213.01866	3.3
214.02579	2.6
215.03464	12.8
217.01331	4.2
219.02945	6.2
227.03369	4.0
229.01360	4.0
231.02942	11.9
232.03725	17.2
233.04480	18.2
241.01324	3.2
243.03004	18.4
245.00822	3.8
245.04617	3.1
246.01669	3.2
247.02339	4.7
257.00854	4.5
258.01630	7.4
259.02438	15.0
260.03247	5.9
261.04019	6.5
269.00833	2.6
270.01752	2.2
271.02521	27.4
272.02875	2.4
273.04123	2.9
286.01273	5.7
287.01981	50.2
288.02621	11.2
289.03513	8.8
293.20306	2.3
297.00421	6.9
299.02078	13.2
300.02609	2.6
303.01505	5.5
314.00653	4.1
315.01477	100.0
316.01855	11.5
332.01721	16.2
333.02341	11.3
355.06699	4.9
359.06177	7.6
372.63937	2.4
395.09750	15.5
451.09180	3.4
462.07962	2.9
467.08270	4.3
477.06747	8.7
495.07782	95.9
495.31915	11.2
496.08212	11.6
511.32730	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	495.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52543	5.5
56.91856	5.2
57.03323	6.4
59.01253	59.3
61.24730	5.7
61.98694	20.9
65.00204	10.5
69.28915	52.1
71.01254	47.6
72.99166	13.5
73.02821	7.0
73.08453	6.2
81.03351	6.6
83.01262	17.1
85.02816	16.3
89.02316	30.5
93.03358	9.7
95.01261	15.9
96.99127	6.3
98.02375	6.4
98.20673	4.8
99.00759	20.1
101.02316	21.4
107.01263	11.5
107.04937	5.9
109.02846	29.9
109.99970	10.9
111.00745	17.8
113.02268	14.6
119.03432	9.4
119.04913	9.8
120.99538	8.9
121.02851	13.0
122.03630	7.9
122.06015	7.2
123.00762	20.4
123.04417	31.3
124.01577	11.7
124.98656	6.5
125.02338	18.1
127.00282	9.3
133.02817	8.5
135.00804	9.2
137.02321	25.8
138.05530	6.7
139.00267	41.7
141.01878	7.3
143.04906	6.6
145.02850	24.9
147.04321	5.9
149.02318	12.1
151.00261	50.1
151.03915	7.1
152.01006	9.8
153.01807	10.9
153.05493	7.2
154.99773	41.7
159.04332	8.8
161.02341	15.7
161.04419	10.1
163.00322	7.6
163.03943	7.9
164.98190	12.5
165.01851	11.5
165.98895	8.7
166.99783	46.2
167.03348	9.1
168.49629	5.3
169.01312	14.9
171.04449	7.8
173.02220	8.2
174.03249	9.5
175.00308	6.0
175.03920	13.7
177.01830	21.9
178.99756	35.6
179.05598	8.6
180.00481	5.4
181.01352	14.0
183.10164	19.3
184.00017	14.9
184.10551	11.0
185.02335	6.2
185.40038	5.4
187.03900	20.7
189.01822	12.2
191.03400	9.6
192.00557	11.3
193.01463	12.3
194.99298	27.6
199.04005	6.1
201.01888	13.9
202.02620	9.0
203.03430	25.5
205.01331	15.8
206.99231	7.7
207.02812	6.8
209.00804	8.0
215.03497	29.4
217.01321	10.2
219.03087	8.3
229.01294	7.9
230.01996	7.9
231.02966	27.1
233.00851	7.9
233.04512	13.0
235.02290	5.2
242.01891	5.7
243.02940	30.0
245.00833	7.3
247.02403	9.7
259.02490	52.6
260.02985	7.3
261.03979	15.9
269.00873	13.9
271.02420	16.2
275.01990	17.7
277.03430	15.0
285.00400	11.6
287.01981	100.0
288.02283	13.1
289.11938	36.4
300.02783	13.0
301.03500	19.6
303.01511	31.9
304.02017	11.0
305.02975	19.6
312.99875	9.3
315.01514	31.6
317.02863	9.2
327.07468	8.5
331.00931	70.0
332.01425	10.8
333.10876	19.0
339.07104	12.4
341.08954	6.6
348.00894	8.7
349.01999	13.9
349.05884	6.7
359.06204	43.1
421.07739	12.9
423.09558	7.0
447.09332	8.0
451.09091	6.6
477.06314	11.3
495.08255	46.3
495.18600	9.0
496.08530	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	495.1145
Annotation	tarocin A1
Peak:m/z	Relative Intensity
56.55822	0.4
57.03326	4.5
59.01252	6.7
61.98700	5.0
61.99982	0.4
63.17029	0.4
67.01763	0.6
67.75385	0.5
68.99675	0.5
69.03323	4.3
70.56383	1.3
71.01254	8.9
72.01566	0.6
72.99185	0.7
73.02814	3.0
79.01767	0.7
81.03321	1.0
83.01253	3.2
83.04906	0.5
85.02822	3.8
87.00764	1.1
89.02321	3.1
90.02621	0.7
93.03342	2.3
95.01249	3.1
96.95898	3.0
97.02831	5.0
97.75689	0.4
99.00759	0.9
99.04408	1.1
101.02333	5.1
102.02689	0.6
107.01260	1.6
108.02058	4.6
109.02866	4.3
110.24234	0.4
111.00777	1.2
113.02356	3.7
117.03329	2.3
119.03401	0.9
119.04951	0.8
121.02831	1.7
122.02982	0.3
122.03634	11.4
122.97483	1.1
123.00784	8.2
123.04423	14.6
123.61409	0.4
124.01565	23.3
125.02344	58.0
126.02696	2.1
131.03325	0.4
133.02896	0.6
135.04428	0.6
137.02356	7.3
139.11200	2.0
143.03438	0.8
145.02866	10.2
146.03249	0.8
149.02341	1.6
149.99493	36.5
151.00278	3.3
151.03929	1.3
152.01036	1.3
153.05464	1.0
155.20659	0.4
159.02844	0.7
161.02403	1.2
161.04462	4.6
163.03949	1.4
165.01833	0.7
165.05496	0.6
165.09143	0.6
166.02530	0.6
166.99675	0.6
167.03441	4.3
168.00558	58.8
169.01289	5.8
179.05501	1.2
181.04958	4.4
183.10204	20.3
184.10553	1.1
191.03423	0.6
193.05019	0.8
197.11809	0.5
207.10056	0.5
208.21399	0.4
221.06635	1.0
225.11263	0.8
231.06898	2.1
257.12524	0.5
285.09869	1.3
289.11765	0.4
311.07669	0.5
313.05676	2.2
332.17819	0.5
333.10849	0.7
358.82785	0.4
435.13882	0.6
444.55914	0.4
477.10278	2.8
478.10913	0.6
495.11554	100.0
495.19028	13.3
496.04514	0.9
496.11868	15.3
496.19220	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17011	0.5
59.01252	3.8
61.98701	7.5
61.98954	0.6
71.01265	3.6
71.34908	1.2
73.02831	1.0
83.01281	1.3
85.02825	1.4
89.02340	2.2
93.03382	1.0
95.01263	0.8
95.04905	1.3
101.02336	2.0
108.02065	0.6
109.02837	14.8
111.00780	0.6
113.02292	1.4
115.33757	0.6
117.03362	2.1
119.01274	0.6
119.04913	2.1
121.02848	1.7
122.03657	1.5
123.00784	6.1
123.04412	23.9
124.04781	1.1
125.02344	2.0
131.03416	1.1
133.02855	2.2
135.04442	1.1
135.68924	0.6
137.02290	1.3
138.03128	10.3
139.03966	1.0
145.02870	7.5
147.04398	3.6
149.02327	1.5
149.04515	1.3
150.03181	1.0
151.03926	6.7
152.04248	0.8
153.05486	13.8
154.05899	0.7
159.04472	1.8
160.01599	0.7
161.02327	3.2
161.04445	1.3
161.05988	0.7
162.03151	0.8
163.03946	2.0
164.04570	0.6
165.01921	1.2
165.05467	0.9
167.07024	0.6
175.00307	0.8
175.03912	2.0
176.01079	1.2
177.01857	21.9
178.02153	1.0
179.07101	0.8
187.03995	1.5
188.04645	0.9
189.01868	46.8
190.02625	15.9
191.03424	11.1
192.03813	0.7
193.05034	0.7
201.01999	0.8
203.03433	5.6
203.07185	0.7
205.05005	4.5
216.00598	8.9
217.01376	36.7
218.01880	4.2
219.02936	13.1
220.03333	1.3
222.01729	0.6
227.07135	0.5
231.02974	11.0
232.03461	2.1
233.04462	0.9
245.08179	0.6
253.05005	0.6
255.02666	0.7
269.04767	0.8
271.06006	3.6
281.04526	2.2
285.04150	0.7
289.07138	5.9
291.22922	0.8
297.07614	1.4
303.18140	1.1
323.05490	1.7
327.21753	1.5
331.08215	1.9
341.06644	100.0
342.06940	12.1
343.08337	1.0
345.09869	0.7
355.04211	1.0
355.08234	10.7
356.08755	1.1
359.93762	0.5
371.07715	7.2
372.08041	1.1
385.09460	1.0
432.12366	1.3
435.22256	1.1
447.14474	3.8
465.15646	0.9
494.30627	1.3
495.12903	37.1
495.20093	3.2
495.29709	1.2
496.13181	6.4
496.19760	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.9
58.00440	1.1
59.01251	24.3
61.98703	25.3
69.52854	0.6
71.01253	22.4
71.04855	0.6
71.54474	0.7
72.99160	1.6
73.02821	4.4
75.00735	1.8
75.03091	0.7
83.01243	2.6
85.02831	6.2
87.00735	2.5
89.02312	16.4
92.04923	1.2
93.03351	1.1
95.01250	2.8
95.04894	2.4
97.02819	1.9
97.06433	0.8
99.00751	1.7
101.02325	16.9
102.02670	1.0
103.05386	0.9
106.06490	2.2
108.02044	1.3
108.04426	1.7
109.02845	15.1
110.03180	1.1
111.00713	0.7
113.02331	7.9
114.02644	0.7
117.03349	6.9
119.03407	4.9
119.04895	3.5
120.99532	1.0
121.02829	1.6
121.05231	0.7
122.03648	1.4
122.05986	0.8
123.00770	9.5
123.04420	18.4
124.01553	0.7
124.04783	0.7
125.02335	2.9
131.03378	2.2
133.02878	3.1
135.04446	1.2
136.07576	2.8
137.02336	2.3
137.06004	1.0
138.03131	10.5
138.05476	0.9
139.00331	0.8
139.03903	1.4
139.64420	0.6
143.03358	1.7
145.02853	22.2
146.03262	1.2
147.04428	4.8
149.02347	2.1
149.04434	2.8
150.03087	2.3
150.05518	1.7
151.00247	1.7
151.03908	7.7
152.01067	1.1
153.01811	2.8
153.05470	5.1
159.04364	1.5
161.02367	3.6
161.04443	5.0
161.05768	1.2
162.03075	1.2
162.05528	1.6
163.00291	1.1
163.03903	3.1
164.04771	0.7
165.01845	0.8
166.04988	2.1
167.03406	2.9
168.04057	0.9
169.01366	0.8
175.03970	1.3
176.01100	1.2
177.01852	25.5
178.02168	1.9
178.99786	1.4
179.03406	1.1
179.05522	3.8
181.04927	0.8
184.11243	0.8
185.11797	1.4
187.03885	2.2
189.01859	55.5
190.02628	17.6
191.03430	12.4
191.05446	1.4
192.03702	0.9
193.04941	1.2
203.03468	6.8
203.07063	1.3
205.05011	3.9
213.99692	0.6
215.03488	0.9
216.00592	10.3
217.01366	38.2
218.01945	4.3
219.02936	17.4
220.03426	0.8
227.03267	0.6
227.06877	0.7
229.08444	0.8
231.02925	12.8
232.03505	1.2
233.04468	1.1
241.09789	1.1
245.08185	0.8
246.11334	1.1
253.09702	1.4
255.11029	0.7
269.09177	0.8
271.02869	1.1
271.06366	3.3
271.10858	25.0
272.11349	1.8
281.04465	1.7
289.07239	5.3
289.11914	1.9
290.10147	1.1
297.07663	1.7
299.01920	0.7
301.06992	0.8
315.09955	0.9
323.05682	1.9
331.08127	1.3
333.10907	2.7
333.19272	1.2
341.06635	100.0
342.06958	9.9
344.08618	0.8
355.08234	12.0
356.08762	1.9
371.07788	7.9
395.89899	0.8
435.14435	1.2
451.17059	1.2
495.13025	37.0
495.22537	10.1
495.30460	1.2
496.13159	5.1
496.19775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.2
57.03321	1.5
59.01254	12.4
61.98705	13.4
65.00197	0.9
69.03315	0.7
71.01261	17.9
71.25398	0.7
72.99193	1.1
73.02818	5.5
74.17935	0.7
75.00738	1.9
81.03310	0.7
83.01260	2.8
85.02820	7.9
87.00745	1.6
89.02324	7.9
93.03326	1.7
95.01267	2.4
95.04892	1.3
96.61745	0.6
97.02812	1.1
99.00759	2.9
101.02326	11.7
101.56338	0.7
107.01263	1.1
108.02038	1.2
109.02843	3.3
110.00008	0.9
111.00775	1.4
113.02327	5.9
119.03377	2.4
119.04918	0.9
121.02856	6.6
122.03651	1.1
123.00835	4.2
123.04415	100.0
124.01586	1.3
124.04734	3.7
125.02357	3.4
129.01862	0.9
133.02866	1.4
134.03757	0.7
135.04402	1.1
136.01576	1.8
137.02333	6.8
137.06033	1.0
138.02039	0.7
138.03125	4.3
139.00232	2.2
139.89963	0.7
141.01807	0.7
144.04489	1.0
145.02855	2.0
149.02373	1.9
149.04442	0.7
151.00223	3.5
151.03960	4.4
152.01047	1.1
153.01843	2.7
153.05486	99.2
154.05830	3.4
155.03448	0.9
161.02342	2.6
161.04469	2.0
163.03867	1.5
166.99788	3.0
167.03416	4.0
168.00516	1.5
168.04207	4.2
169.01288	1.0
175.03931	1.7
177.01840	1.8
178.99818	1.8
179.05518	1.0
181.01370	5.0
181.04903	1.4
182.02147	6.5
183.02940	5.4
183.06616	4.6
183.10197	0.8
187.03900	0.7
188.04532	0.8
191.01831	1.0
193.05077	0.9
195.06477	1.2
196.03728	1.1
197.04489	21.5
198.04854	1.0
199.03996	0.7
209.00688	0.7
225.03986	1.2
231.03145	1.4
232.03943	0.9
239.05696	0.9
243.03004	1.8
245.04488	1.1
259.02463	0.9
271.02539	2.8
271.10709	1.1
272.02783	0.7
281.06613	0.8
287.01935	4.2
288.02710	1.8
289.03445	0.9
299.01862	3.8
300.02432	0.8
311.07669	5.6
315.01443	6.1
316.01718	0.7
326.06445	6.0
332.01697	1.6
333.02805	1.0
333.13513	1.3
333.23038	0.7
333.26532	2.9
341.08771	83.6
342.09116	8.0
346.36597	0.6
393.06061	0.6
433.11374	2.3
462.07858	1.4
465.27457	0.7
465.95786	0.7
495.07864	6.5
495.15356	4.7
495.31967	20.0
496.08084	1.1
496.31775	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.151
Annotation	Aquaticoside B
Peak:m/z	Relative Intensity
54.88918	1.2
59.01256	12.4
61.98697	5.3
71.01265	10.9
71.53878	1.5
72.99173	2.8
73.02815	2.0
74.99007	1.4
75.00739	3.2
78.91773	1.5
83.01296	2.2
85.02831	4.0
87.00768	1.5
88.05607	1.3
89.02303	5.8
90.02627	1.4
93.03336	40.9
95.01263	3.6
101.02328	7.3
107.04932	1.4
108.02086	2.8
109.02840	6.9
113.02317	6.3
117.03338	6.7
119.03358	2.4
119.04901	3.8
121.02853	3.2
123.04448	3.1
125.02304	2.4
133.02858	3.0
135.04391	4.6
135.98245	1.7
136.01572	15.5
137.02348	100.0
138.02670	3.6
139.00206	1.4
142.03220	1.3
145.02866	27.0
146.03561	5.2
147.04446	7.8
149.02338	4.5
151.03897	9.7
153.01830	10.1
161.02356	23.3
162.03142	35.4
163.03970	10.0
164.04680	5.4
165.05486	2.5
177.05478	8.8
179.03419	62.5
179.06892	2.2
180.03894	4.6
189.01921	1.6
193.94955	1.3
195.06581	1.7
209.04477	19.0
220.48204	1.2
239.05588	68.1
240.05875	3.6
257.39282	1.2
278.43915	1.3
281.06647	2.3
297.06210	5.1
299.07712	16.0
325.09232	3.1
327.08511	1.4
357.11819	1.6
358.76904	1.1
477.13995	41.0
478.14200	5.2
495.14996	17.4
495.21265	2.2
495.31860	2.6
496.15619	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	495.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90519	0.2
57.03330	1.0
57.34321	0.2
59.01256	7.1
61.98706	6.2
65.00213	0.4
65.03831	0.3
67.01793	0.3
69.01344	0.2
69.03333	0.3
70.07886	0.3
71.01260	3.7
72.99207	0.4
73.02832	1.0
78.74904	0.2
81.03334	3.7
83.01254	3.1
85.02824	1.8
89.02322	1.4
93.03328	1.2
95.01265	0.6
95.04929	1.2
96.95900	0.5
97.02854	0.8
99.00785	0.6
99.04404	0.4
101.02334	2.5
105.03361	0.3
107.01255	0.4
107.04926	0.3
108.02053	0.7
109.02854	0.5
111.00792	0.3
111.04420	0.3
113.02345	1.4
114.93221	0.2
117.03336	0.8
119.03396	0.3
119.04911	0.5
121.02845	1.0
122.03666	0.3
123.00809	0.7
123.04415	35.5
124.01559	0.5
124.04720	1.3
125.02346	4.9
131.01270	0.3
131.03487	0.3
133.02864	0.7
135.04379	1.3
136.01624	0.5
136.52992	0.2
137.02339	1.7
137.06017	0.3
138.03033	0.3
139.03900	1.1
145.02844	1.5
147.04475	0.3
149.02393	1.5
149.04443	0.4
151.00266	1.0
151.03915	2.1
152.00964	0.2
153.01854	0.3
153.05467	0.6
160.01585	0.5
161.02373	2.3
161.04430	1.2
161.05655	0.2
162.02791	0.6
163.02748	0.3
163.03989	1.6
165.01833	0.6
165.05498	1.3
166.02615	0.5
166.05826	0.3
167.03418	100.0
168.03761	4.4
175.00281	1.0
175.03970	0.6
177.01848	0.4
179.03362	1.7
180.04111	0.4
181.05000	3.1
187.03961	0.3
189.01814	0.3
191.03435	23.5
192.03754	1.5
193.04959	0.8
201.01732	0.4
202.09953	0.2
205.04955	0.3
209.04503	8.6
210.04820	0.4
219.02998	0.5
221.04474	2.3
225.05721	0.3
225.07599	1.2
225.14993	0.3
227.06978	0.3
233.04520	0.4
240.04189	1.3
241.05002	0.4
255.06630	3.4
256.06937	0.4
269.13940	0.5
270.08951	3.9
271.09195	0.3
283.06216	0.3
299.99261	0.3
303.18140	1.5
313.07123	0.4
341.10141	0.3
363.23840	0.6
373.09067	0.9
378.01828	0.2
398.60699	0.3
435.22333	0.9
435.29385	3.2
436.29611	0.3
467.13202	1.3
494.30396	1.0
495.18652	17.9
495.29367	1.4
496.18948	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	495.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.9
59.01254	8.8
61.98707	7.3
71.01257	8.2
71.54885	0.7
72.68538	0.5
72.99189	0.6
73.02814	2.3
74.84834	0.5
75.00759	1.1
76.29186	0.4
80.69552	0.4
83.01251	1.5
85.02834	3.0
87.00745	1.1
89.02325	3.8
93.03346	1.2
95.01292	0.7
95.04923	1.7
97.02816	1.6
99.00791	1.2
101.02323	5.4
105.03383	0.8
108.02064	0.9
109.02843	5.4
111.00749	1.0
113.02334	3.0
115.03937	0.6
117.03358	6.7
119.03416	1.0
119.04949	3.1
121.02834	2.0
122.03634	1.8
123.00819	2.7
123.04415	77.2
124.01586	1.0
124.04742	3.4
125.02328	2.6
125.79752	0.5
129.01866	0.6
131.03391	1.4
133.02853	1.9
134.03667	0.8
135.04445	1.1
135.08037	0.8
137.02354	1.8
138.03125	3.0
139.03989	0.7
143.03365	0.7
145.02859	26.4
145.06511	0.9
146.03215	1.4
147.04465	0.8
149.02371	1.8
149.04515	1.1
150.03073	0.6
151.03923	3.0
153.05484	100.0
153.09007	3.9
154.05806	4.8
159.04399	0.7
159.08005	0.6
160.01585	2.2
161.02382	4.0
161.04482	1.6
161.05995	2.2
161.41801	0.5
163.00256	0.5
163.03929	4.7
165.01862	0.8
165.05487	0.6
165.09134	0.5
167.03438	2.1
167.07079	1.1
169.05006	0.7
175.03879	3.3
175.05225	0.6
176.01054	0.6
177.01860	5.7
177.09155	2.1
179.03419	0.7
179.07053	0.9
189.01860	14.3
190.02591	4.2
191.03429	2.8
191.05400	1.2
193.04813	0.5
197.08095	1.5
203.03418	1.5
203.07083	0.7
203.94920	0.6
205.05016	2.9
216.00551	2.6
217.01402	8.9
218.02010	1.4
219.02960	3.2
220.03159	0.5
221.08125	1.5
231.02937	3.9
239.09222	2.0
240.38188	0.5
263.09241	0.8
265.07214	0.7
271.06046	1.2
281.04385	0.5
281.10410	1.7
285.04019	1.0
289.07266	1.7
289.16528	1.2
303.18280	0.6
315.10815	1.6
341.06647	26.7
341.12256	1.7
342.07007	4.0
355.08148	2.5
371.07852	1.5
435.21970	3.0
448.22882	0.8
449.22955	1.4
451.19733	1.4
494.30649	1.0
495.12689	6.5
495.19250	11.9
495.22318	10.2
496.13025	0.8
496.19391	2.2
496.22122	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	495.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.4
59.01249	3.5
61.82981	0.2
61.98704	100.0
62.98408	1.6
62.99132	0.5
63.99130	1.7
68.99686	0.6
69.03326	2.6
69.49490	1.9
71.01258	9.9
71.01659	0.5
71.04900	1.0
72.50338	0.2
72.99211	0.4
73.02819	2.6
75.00763	0.4
81.03329	0.7
81.25750	0.2
83.01262	1.2
83.04902	0.6
85.02822	5.8
87.00746	0.7
89.02311	0.8
93.03313	1.2
95.01264	1.6
96.95832	0.3
97.02827	0.5
98.20550	0.6
99.00784	1.3
99.01344	0.3
99.04388	2.4
101.02328	6.0
107.04877	0.5
108.02059	5.5
109.02843	10.2
110.03149	0.4
110.61327	0.3
111.00748	0.5
111.08019	0.6
113.02332	4.8
113.05963	0.9
117.03345	1.4
119.04942	0.7
121.02819	1.0
122.03630	17.4
123.00748	0.6
123.04421	23.6
124.01529	0.4
124.04747	0.9
125.02296	1.4
125.12560	0.3
127.03915	0.5
131.03342	0.5
131.50253	0.3
137.01402	0.5
137.02354	5.3
137.09595	0.7
138.02998	0.3
139.03882	0.4
139.11188	11.4
140.11537	0.5
143.03392	0.6
145.02837	4.9
146.03143	0.3
149.02321	0.6
151.00259	0.4
151.03876	0.5
153.05444	0.8
159.02879	0.7
161.02272	0.8
161.04471	8.7
163.03925	0.5
163.07521	0.6
164.00835	0.3
165.05502	0.4
165.09099	0.5
167.07040	0.4
169.04982	0.4
174.02997	0.3
175.03928	0.7
177.01909	0.5
177.05553	0.3
178.99556	0.3
179.10701	0.4
181.04973	0.2
181.08533	1.0
183.10191	34.5
184.10524	1.9
185.11766	0.3
187.03897	0.3
189.01779	1.0
190.02548	0.4
193.04915	0.6
217.01314	1.1
223.09752	0.3
227.03410	3.1
228.01585	0.3
228.03784	3.8
229.04668	0.3
230.05159	0.6
231.02802	0.5
241.10625	0.4
244.09293	0.3
255.02951	3.9
256.03311	5.8
257.03809	0.8
258.04684	0.3
267.08572	0.6
284.03293	3.3
285.03717	8.9
285.09528	1.2
286.04340	6.1
287.04510	0.6
289.07263	0.4
341.03256	0.3
341.06638	3.5
342.06528	0.4
351.14114	0.3
355.08179	0.4
431.09430	0.6
432.10141	16.5
433.10333	2.4
494.05759	0.3
495.18341	10.6
495.30350	0.7
496.18631	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	495.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	1.3
58.00500	0.5
59.01252	17.7
60.01624	0.3
61.98702	2.5
63.02270	0.4
65.00221	0.7
67.76053	0.3
69.03355	0.4
70.46428	0.8
71.01253	8.8
72.99192	0.6
73.02835	1.5
81.03333	3.9
83.01250	4.1
85.02833	2.5
87.00774	0.5
87.56506	0.3
89.02320	7.4
89.02822	0.5
93.03325	0.6
95.01285	1.1
95.04943	0.9
97.02847	0.8
99.00776	1.0
99.04416	0.4
101.01305	0.3
101.02328	6.2
107.01279	0.5
108.98741	0.4
109.02876	0.4
111.00803	0.5
113.02316	2.7
117.03347	0.4
119.03384	1.7
119.04935	0.3
121.02837	0.7
123.00813	0.5
123.04410	34.5
124.01532	0.4
124.04739	1.6
125.02342	4.5
129.80112	0.3
131.01315	0.3
131.03391	4.7
131.78128	0.3
135.04443	1.2
137.02339	1.7
138.03145	0.4
139.03905	0.9
143.03410	0.6
143.70383	0.3
145.02809	0.4
149.02438	1.5
149.04462	3.4
151.00308	1.4
151.03926	1.3
153.05492	0.7
161.02385	0.9
161.04474	1.3
163.03963	1.4
165.01843	0.5
165.05440	0.4
167.03418	100.0
168.03775	4.7
175.00279	1.0
177.05537	0.3
179.03398	1.2
179.05515	1.1
180.04196	0.5
181.05006	2.6
191.03448	24.7
191.05458	2.5
192.03780	1.2
193.01337	0.4
193.05040	0.5
209.04503	7.7
211.91957	0.3
221.04449	1.3
303.18109	1.1
308.03732	0.4
363.23669	1.2
435.22168	1.5
435.29300	3.8
467.13547	0.6
495.18491	11.5
495.28705	0.6
496.19208	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	495.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90895	0.2
57.03326	0.8
59.01257	2.2
61.98704	2.0
65.00202	0.5
67.01781	0.3
69.03319	0.2
69.30429	1.3
69.30849	0.4
71.01254	1.2
73.02833	0.3
81.03338	4.6
83.01261	3.0
85.02838	0.7
89.02321	0.4
93.03354	0.8
95.04906	0.9
97.02843	0.5
101.02353	1.0
107.01298	0.5
108.02094	0.3
109.02856	0.4
113.02338	0.5
119.04920	0.4
121.02831	0.4
123.04414	33.9
124.04739	1.3
125.02343	4.8
126.02637	0.2
131.01273	0.3
135.04417	0.5
137.02359	1.3
137.05989	0.4
138.03096	0.3
139.03931	1.0
149.02365	1.3
151.00288	1.4
151.03922	1.2
153.05420	0.2
158.09097	0.2
161.04494	0.3
163.03928	1.6
165.01837	0.4
166.02614	0.5
167.03416	100.0
168.03764	5.4
175.00278	1.3
175.03842	0.2
179.03459	1.2
179.07254	0.2
180.04193	0.4
181.04997	2.7
191.03436	25.5
192.03783	1.6
193.05005	0.5
209.04494	8.4
210.04865	0.5
221.04568	1.7
222.04741	0.3
233.04463	0.7
297.71121	0.2
311.07626	0.2
317.19760	0.6
427.42456	0.2
435.29553	0.4
471.31726	0.2
495.11401	0.5
495.18729	9.8
496.19031	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	495.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22625	0.8
50.45749	0.7
57.03328	5.1
58.41024	0.7
59.01255	11.7
61.98703	100.0
62.98410	1.9
62.99128	0.9
63.99120	1.5
68.99696	1.7
69.03332	7.4
69.36417	2.7
69.36848	2.9
71.01255	27.5
71.04905	1.5
73.02815	6.3
73.23080	0.7
75.00739	1.5
81.03337	1.7
83.01269	3.2
83.04903	2.4
85.02830	13.5
85.03350	0.8
87.00764	1.5
89.02340	2.5
93.03355	3.2
95.01262	2.9
96.95939	0.8
97.02854	1.7
97.06472	1.1
99.00777	3.2
99.04387	6.1
101.02322	12.9
107.04932	1.0
108.02058	14.6
109.02844	23.9
110.03201	1.3
111.00764	0.9
111.08048	1.2
113.02338	12.3
113.06000	1.3
117.03355	3.8
119.04882	1.0
120.99629	0.7
121.02869	2.6
122.03630	44.7
123.00779	1.4
123.04417	63.1
124.04762	3.3
125.02348	2.9
127.03876	0.7
131.03398	0.8
133.02907	1.1
134.03758	0.7
135.04417	1.0
137.02330	12.2
137.06119	0.7
137.09676	2.4
138.03091	1.0
139.11191	24.6
140.11526	0.8
143.03445	2.4
145.02840	14.0
148.81934	0.7
149.02405	1.3
149.05984	0.9
151.00362	1.1
151.03876	1.6
153.01852	1.0
153.05489	4.4
155.06059	0.8
159.02966	1.5
161.02371	2.1
161.04456	19.9
161.09648	1.0
162.04790	1.0
163.03862	1.7
163.07593	2.5
165.05508	1.3
165.09207	0.8
166.17117	0.8
167.03447	1.0
169.01404	1.1
175.03961	1.7
177.01889	2.9
179.10757	1.6
181.01488	0.7
181.08687	2.0
183.10188	72.9
184.10498	4.3
185.11755	1.2
189.01860	4.6
189.63770	0.7
190.02632	1.7
191.03442	0.8
191.05554	1.2
193.05135	1.2
197.11949	0.9
203.03548	1.0
217.01314	3.9
219.03056	1.5
223.09665	1.1
227.03523	3.3
228.03850	4.7
255.03075	2.9
256.03287	5.0
257.04016	0.9
267.08847	1.1
284.03336	1.7
285.03690	9.6
285.10065	1.3
286.04349	6.9
289.07266	1.3
297.07733	0.9
333.26404	0.9
341.06665	11.3
341.10144	0.9
342.07153	1.1
432.10153	13.3
432.15683	1.1
433.10397	1.6
495.18408	23.3
495.32330	1.7
496.19424	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	495.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59939	0.8
59.01225	0.8
64.75063	0.7
71.24409	0.9
71.24738	1.4
78.95774	40.4
96.96847	3.4
152.99493	55.8
171.00574	17.1
171.02042	0.9
227.03203	3.9
234.77975	0.8
238.00061	0.9
245.04289	100.0
246.04637	5.1
267.23288	61.3
268.23621	7.9
274.12878	0.9
299.87061	0.8
306.82294	0.8
443.68732	0.9
495.27271	37.8
496.27560	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	497.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.5
59.01254	2.3
61.98702	55.5
63.40311	0.4
66.87223	0.4
69.03333	0.6
70.56763	0.6
71.00879	0.6
71.01247	4.8
72.99183	1.4
73.02812	1.7
81.03341	1.5
83.01261	1.0
85.02838	3.3
86.03199	0.4
89.02335	0.7
93.03329	2.0
93.06952	0.5
95.01270	2.6
95.04909	1.1
97.02837	0.9
97.06475	0.5
99.00769	0.9
99.04371	0.6
101.02319	2.9
108.02050	39.7
109.02845	26.6
109.03606	0.9
110.03131	0.6
111.00725	0.4
113.02338	1.7
119.08538	0.9
121.02843	1.5
122.03600	0.9
123.00761	1.4
123.04407	72.2
124.01561	0.7
124.04723	2.9
125.02321	3.8
133.02858	0.8
134.03662	0.5
135.00737	0.4
135.04358	0.5
137.02348	1.4
137.05963	1.1
137.09636	1.9
139.03886	0.4
139.07506	0.5
145.02885	0.6
151.03918	1.2
151.99771	0.6
152.01057	41.4
153.01880	14.1
153.05478	100.0
154.05815	5.2
160.01408	0.5
161.02289	1.0
161.04492	0.9
163.03868	1.3
165.01857	0.8
166.71198	0.4
167.03384	0.9
168.00648	0.5
169.01343	4.3
175.03821	0.5
179.03395	0.5
181.08556	0.5
192.57014	0.4
195.06490	0.6
199.09810	0.4
248.73634	0.4
279.45813	0.4
281.06696	0.7
297.09756	0.9
315.07187	2.6
315.10892	2.1
397.14963	2.4
435.12793	0.6
437.14505	4.2
437.20044	0.7
479.15567	14.0
480.15881	2.5
496.32062	0.6
497.16602	50.4
498.16928	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36892	0.2
59.01251	0.5
61.98701	0.5
62.74664	0.2
65.82957	0.1
69.53520	0.9
70.32492	0.2
71.01243	0.4
75.29577	0.1
81.03338	0.3
85.02824	0.3
89.02358	0.2
93.03344	0.2
95.01250	0.3
95.04897	0.8
101.02304	0.3
108.02070	0.3
109.02837	0.2
113.02373	0.2
119.08536	0.3
121.02831	0.4
122.03645	0.6
123.04412	72.9
124.04744	3.2
124.06199	0.2
125.02337	0.3
135.08089	0.2
137.02359	0.3
137.05974	0.4
137.09616	1.0
139.07497	0.2
149.02414	0.2
151.03893	0.2
152.01006	0.2
153.05484	100.0
154.05815	4.3
161.02338	0.2
161.04474	0.2
179.03374	0.2
181.08630	0.9
194.39073	0.2
195.06526	0.3
199.09717	0.4
217.95384	0.2
283.11832	0.3
297.09827	0.4
315.10873	1.5
343.14029	0.2
419.15402	0.2
437.18137	0.3
479.19296	0.8
497.20615	1.5
498.20691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92641	0.3
57.03304	0.6
59.01257	3.4
61.98704	29.4
65.00189	0.4
67.01778	0.4
71.01257	3.7
71.07559	0.6
72.99188	0.7
73.02827	0.7
75.00757	0.4
81.03350	0.9
83.01270	1.0
85.02831	2.4
87.00740	0.8
88.98735	0.5
89.02338	1.4
93.03362	0.6
95.01269	1.3
95.04897	0.9
97.02815	0.6
97.06480	0.9
99.04404	0.7
101.02334	3.1
107.01252	0.5
108.02065	2.2
109.02835	4.4
110.03221	0.4
111.00782	0.7
113.02354	1.3
114.21532	0.3
121.02857	0.8
122.03662	0.6
123.00782	1.0
123.04413	68.6
124.01579	0.5
124.04735	2.1
125.02322	2.6
134.03630	0.5
135.04419	0.7
137.02370	1.8
139.00285	0.8
139.03914	0.7
141.05486	0.4
149.02338	0.4
150.03175	0.3
151.00305	2.0
151.03925	1.0
152.01047	2.9
153.01959	3.9
153.05481	100.0
154.05811	4.9
155.03445	0.4
161.02383	1.2
161.04466	0.8
162.03152	0.4
165.99020	0.4
167.03410	1.3
169.00142	0.3
169.01329	2.0
169.04993	0.4
175.03981	0.6
177.02083	0.4
179.03458	0.4
179.05453	0.5
179.07019	0.5
181.01355	0.8
185.04515	1.0
191.05573	0.5
193.05058	0.3
199.02388	0.5
199.09715	1.1
205.05043	0.5
209.04529	0.6
267.40369	0.4
297.09790	0.8
311.07797	0.9
315.07449	0.6
315.10855	3.0
335.20862	0.9
397.15079	1.2
496.31851	0.4
497.16403	6.4
497.25882	2.5
497.32507	0.7
498.17047	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	497.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.1
59.30748	0.9
71.53899	1.0
72.99187	1.1
78.95791	2.7
86.48109	0.9
92.94052	1.1
122.03654	4.8
123.04427	1.3
135.04419	21.6
136.05209	12.9
137.05997	9.4
148.05202	4.6
149.05989	5.4
152.99475	2.2
170.32182	0.9
171.98242	1.7
175.07574	1.4
177.09259	1.1
189.09171	2.8
197.19041	2.2
216.54005	0.9
223.20805	1.5
225.22202	4.4
244.14647	7.7
245.15569	1.3
259.17026	100.0
260.17374	13.5
269.21237	19.3
270.21515	2.3
273.15033	3.9
291.15982	2.8
352.22137	1.0
361.62775	1.0
377.24771	1.3
411.17133	1.1
421.24030	1.4
497.25046	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	497.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00276	0.2
55.11258	0.3
57.03845	0.3
57.47940	0.2
59.01234	0.6
64.15152	0.2
70.22107	1.1
70.61052	0.2
73.21484	0.2
82.32697	0.3
93.03345	1.5
107.04911	2.1
115.68297	0.2
119.04896	0.2
119.44671	0.2
120.25974	0.3
120.64146	0.2
121.02847	32.6
122.03139	1.4
123.04346	0.3
131.08543	1.0
135.04417	48.9
136.04689	1.9
137.89992	0.2
145.02812	0.3
146.03668	0.7
147.04425	0.4
148.05200	3.5
148.15100	0.3
149.02362	0.9
149.05969	0.3
157.06491	0.4
159.04417	0.9
160.05244	1.8
161.05974	0.7
163.07582	4.6
164.04704	51.4
164.16956	0.2
165.05061	2.4
171.08096	0.6
173.05962	0.5
174.06781	15.4
175.07562	4.7
176.08188	0.5
179.07063	26.2
180.07385	1.3
188.08374	0.5
189.09155	4.2
190.09468	0.4
258.16238	100.0
259.16571	11.2
273.18600	60.6
274.18939	6.8
274.21863	0.4
274.55765	0.3
314.18945	0.5
329.21063	0.3
420.23553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76917	0.5
50.84413	0.5
51.74741	0.5
56.60363	0.6
56.87599	0.5
57.15363	0.5
63.07901	0.5
70.26711	1.0
70.27066	1.7
80.71983	0.5
93.03332	1.7
107.04926	1.5
111.85143	0.6
121.02845	37.4
122.03177	1.7
122.69553	0.5
122.83498	0.5
131.08517	0.7
135.04417	45.4
136.04793	1.7
148.05209	7.5
149.02344	1.6
159.04434	0.6
160.05215	1.4
161.05986	1.1
163.07558	9.1
164.04700	62.9
165.05025	3.2
174.06784	16.4
175.07549	5.2
179.07057	32.2
180.07434	1.5
188.08348	0.6
189.09177	3.8
224.20174	0.6
258.16235	100.0
259.16580	9.7
273.18600	63.6
273.21677	1.3
274.18939	7.6
305.70621	0.5
314.58820	0.6
420.23172	0.9
435.25406	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	497.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92366	1.3
55.01762	3.7
57.03320	4.3
59.01253	39.1
61.71130	1.5
61.98709	11.7
70.41029	3.0
71.01258	35.3
73.02821	16.9
83.01263	7.2
85.02836	21.5
89.02309	9.0
95.01263	2.5
99.00757	9.0
101.02333	37.7
113.02322	15.4
125.02349	4.8
129.01860	2.1
137.02353	1.7
143.03368	2.0
149.04529	1.6
155.12479	1.6
159.02896	2.6
161.04466	10.6
274.84467	1.4
289.07236	2.6
305.19705	100.0
306.19965	8.9
349.18463	1.7
373.97321	1.4
437.17825	3.3
437.23895	48.8
438.23868	7.2
484.77567	1.4
497.19012	1.8
497.27887	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	498.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68027	0.4
59.01239	1.1
61.98705	100.0
69.28266	1.2
69.28688	2.0
71.01262	0.9
81.03341	0.8
83.01270	0.5
85.02835	0.4
89.02336	0.8
93.03352	1.1
98.19823	0.6
101.02335	0.7
119.04947	0.8
122.03619	0.6
123.00793	0.8
123.04416	22.1
124.01568	2.4
125.02372	6.1
126.02707	1.1
132.93401	0.4
137.02324	0.6
149.99464	2.6
151.00041	1.1
153.05490	28.2
156.35292	0.4
163.03957	0.7
167.03426	7.9
167.04698	0.7
168.00555	4.7
168.03792	0.6
169.00923	2.1
173.04510	1.2
179.03459	0.7
191.03458	0.7
199.09776	0.3
209.04620	0.4
218.56897	0.3
273.07681	8.4
274.08069	0.9
315.10678	0.4
337.09283	0.6
384.34073	0.4
435.13336	1.3
445.88562	0.4
497.16895	1.2
498.10086	0.4
498.16913	7.7
499.17477	1.1
499.23138	0.5
499.33664	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.4
61.98705	100.0
62.98391	0.3
67.36213	0.2
70.94573	0.4
71.01250	1.1
72.99205	0.5
73.02814	0.4
85.02845	1.0
87.00747	0.3
89.02333	0.3
91.14201	0.2
93.03368	0.5
95.04886	0.3
97.02820	0.2
99.00738	0.3
101.02328	1.0
108.02063	3.3
109.02930	2.2
110.03183	0.5
113.02359	0.2
119.04971	0.3
120.68919	0.2
121.02869	0.4
121.06487	0.2
122.03654	0.3
123.00771	0.3
123.04415	14.0
124.01579	0.8
124.04751	3.3
125.02358	0.7
135.04442	0.3
137.02344	0.8
139.03931	0.8
139.07588	0.3
140.01036	0.3
149.02435	0.3
151.03983	0.4
152.01067	3.1
153.01840	1.7
153.05489	15.8
154.05823	4.7
154.07025	0.3
155.07068	0.3
161.02446	0.3
167.03447	0.3
169.01424	0.3
175.00346	0.3
176.01231	0.5
179.03464	0.4
190.02644	0.4
191.03505	1.0
191.05374	1.1
205.04997	0.4
270.02728	0.2
281.06763	0.8
342.63498	0.2
435.13181	0.7
438.15201	0.3
479.15860	0.2
480.16156	0.9
497.16989	0.4
497.26532	0.3
498.16940	3.4
498.24399	0.2
498.26718	0.2
499.18210	1.2
524.47266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.4
59.28141	0.2
59.76224	0.2
61.98703	100.0
62.98416	0.2
69.25116	1.5
71.01256	0.6
80.91553	0.2
83.01284	0.2
89.02296	0.3
90.72282	0.2
101.02324	0.3
123.04451	0.2
125.02354	0.4
137.02313	0.3
153.05441	0.2
165.01886	0.2
242.57069	0.2
345.56100	0.2
346.94046	0.2
356.71442	0.2
394.72864	0.2
438.24301	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.3
59.01250	3.2
61.98703	100.0
62.98398	0.3
71.01250	1.9
71.54978	0.2
72.01624	0.2
73.02813	0.3
75.00751	1.2
77.93909	0.2
83.01259	0.4
85.02836	0.7
87.00774	0.4
89.02310	1.3
95.01245	0.3
99.00748	0.3
101.02316	1.5
108.15643	0.2
113.02341	0.7
119.03370	0.2
121.02888	0.3
123.04456	0.5
125.02345	1.0
127.34983	0.2
131.03448	0.4
137.02396	0.4
137.11592	0.2
145.02872	0.3
149.04478	0.5
161.04521	0.5
165.01828	0.7
175.03813	0.3
179.03435	0.3
191.05443	0.3
205.12331	0.3
245.55701	0.2
292.18723	0.2
293.08905	0.3
298.67236	0.2
318.89188	0.3
437.43329	0.2
438.24066	0.8
473.14001	0.2
498.22562	1.5
499.22311	0.6
499.29205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.2
61.98704	6.5
66.57076	0.5
68.60340	0.5
70.31266	1.8
71.01240	3.1
72.99177	0.4
73.02827	0.7
85.02808	1.0
87.00741	0.7
89.02333	2.9
99.00734	0.7
101.02328	1.4
104.02561	5.6
107.94963	0.4
113.02315	1.7
117.03353	5.2
119.04901	4.0
121.02831	3.4
123.04407	1.2
124.01561	0.9
124.32949	0.5
125.02326	1.8
126.02654	0.6
137.02357	0.8
138.01799	0.5
139.03923	0.9
142.45255	0.4
145.02853	19.8
146.03226	0.9
148.01573	8.8
149.02022	0.7
149.04462	1.1
149.99420	0.6
150.05045	0.4
151.03966	0.8
153.05484	0.5
156.33731	0.5
160.01540	0.9
161.04517	0.5
163.03897	3.7
168.00552	1.2
174.43005	0.5
175.03952	1.2
176.01070	78.5
177.01425	3.7
190.02646	1.1
191.03430	100.0
192.03761	6.0
205.05002	2.1
220.47270	0.5
223.06183	0.6
247.05936	0.5
265.07227	1.6
283.79477	0.5
293.12375	1.0
307.08224	9.4
308.08649	1.0
369.09375	0.6
463.21854	3.8
499.17484	5.2
499.32956	0.6
500.21802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1956
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
57.03327	4.8
58.79224	5.3
59.01258	61.6
61.77263	4.3
61.98709	61.5
69.54248	4.3
69.64469	28.5
71.01250	47.1
72.70030	4.5
73.02827	14.8
83.01310	4.7
85.02820	22.3
88.98650	5.3
89.02322	83.0
93.03357	5.9
94.93075	4.4
98.27924	5.3
99.00771	16.5
101.02343	35.1
113.02347	13.5
119.03384	8.2
119.04949	8.1
123.04411	37.0
125.02377	22.1
131.03407	23.7
134.03575	5.9
135.04396	6.7
137.02322	9.4
137.05945	7.6
137.64980	4.1
139.03888	7.1
140.01045	13.4
142.69778	4.3
145.02753	8.4
149.04462	77.7
151.00284	8.6
151.03929	5.8
153.01869	5.8
153.05455	28.9
155.03423	18.4
161.02382	5.3
161.04491	11.1
163.03937	7.6
168.59865	4.9
169.01305	4.7
175.03886	5.9
191.05566	28.4
205.04915	5.1
221.06630	8.3
230.87560	4.2
232.90796	4.4
234.43169	5.0
241.39169	5.2
246.38625	4.9
250.84732	4.2
251.07658	11.7
274.04352	4.6
293.08963	5.2
311.09674	13.4
323.13394	6.1
344.76947	5.6
420.22656	5.2
461.14178	5.6
499.19171	100.0
500.19778	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	499.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.6
64.85845	0.3
67.38693	0.2
69.32495	2.0
69.32895	0.7
71.01257	0.4
76.74772	0.3
77.00254	0.3
81.03336	0.4
85.02835	0.4
87.04391	1.0
89.02305	0.3
93.03316	0.4
95.04842	0.6
119.12693	0.3
121.02859	0.4
122.03617	1.0
123.04414	60.9
124.04742	2.5
153.05492	100.0
154.05820	4.7
161.04330	0.3
201.11272	1.0
297.09915	0.3
315.10818	3.7
316.11304	0.5
499.21609	1.0
516.10889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.6
64.85845	0.3
67.38693	0.2
69.32495	2.0
69.32895	0.7
71.01257	0.4
76.74772	0.3
77.00254	0.3
81.03336	0.4
85.02835	0.4
87.04391	1.0
89.02305	0.3
93.03316	0.4
95.04842	0.6
119.12693	0.3
121.02859	0.4
122.03617	1.0
123.04414	60.9
124.04742	2.5
153.05492	100.0
154.05820	4.7
161.04330	0.3
201.11272	1.0
297.09915	0.3
315.10818	3.7
316.11304	0.5
499.21609	1.0
516.10889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.2
61.98703	13.2
64.52672	0.3
69.36749	0.9
69.37162	1.9
71.01260	0.8
77.31110	0.3
85.02837	0.9
87.04386	0.9
89.02352	0.4
93.03320	0.7
95.01263	0.4
95.04906	1.0
97.31757	0.4
101.02289	0.6
101.71241	0.4
106.92099	0.3
121.02777	0.5
122.03627	0.5
123.04414	70.4
124.04759	3.0
125.02341	0.5
135.04527	0.4
137.02298	0.4
137.88441	0.4
149.99384	0.4
153.05484	100.0
154.05827	4.7
161.02351	0.4
167.03381	1.2
168.03836	0.4
173.04509	1.2
195.06558	0.4
200.51923	0.3
201.11266	1.4
232.83832	0.4
242.94672	0.3
274.08075	0.9
297.09830	1.1
314.19537	0.4
315.10675	2.0
337.09491	0.5
426.50473	0.3
431.16183	0.4
499.16467	0.6
499.21936	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	500.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52826	0.2
57.03326	0.5
59.01255	4.8
61.23325	0.3
61.98705	100.0
71.01258	1.7
72.99202	0.3
73.02835	0.6
83.01267	0.4
85.02851	0.7
87.00795	0.3
89.02335	0.7
98.20535	0.7
101.02338	1.1
113.02351	0.6
125.02361	1.4
137.02380	0.4
143.03334	0.3
151.03949	0.4
161.02348	0.3
161.04482	0.3
289.07141	0.6
339.24902	0.3
357.26495	0.5
440.24820	0.6
500.29636	0.9
501.30823	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	500.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.3
59.01253	4.9
60.01544	0.3
61.98706	100.0
70.41021	0.9
71.01263	2.6
73.02818	0.6
77.38926	0.3
84.87414	0.3
85.02842	1.2
86.42616	0.3
89.02343	0.7
98.57023	0.3
99.00760	0.4
99.54311	0.3
101.02321	1.5
113.02363	1.0
116.92789	0.3
125.02378	1.1
136.82071	0.3
149.24658	0.3
151.03880	0.4
212.66855	0.4
289.07178	0.5
307.42285	0.3
339.25409	0.5
343.56735	0.3
355.21310	0.9
357.26453	1.8
501.31342	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	501.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.7
61.98698	1.5
69.03310	0.4
69.38161	2.6
71.01252	4.2
73.02820	1.5
83.01287	0.9
85.02837	1.5
89.02350	1.9
93.03353	0.9
95.01277	0.4
95.16007	0.3
97.02821	0.5
99.00812	0.5
101.02321	2.1
101.49615	0.4
106.04126	0.5
107.04891	0.4
109.02797	0.3
111.00771	1.2
113.02356	1.7
117.03345	16.4
118.03711	0.6
119.03408	0.7
119.04925	8.5
120.05267	0.5
121.02834	1.2
123.04398	0.8
125.02341	1.2
131.03435	0.5
133.02846	1.1
133.06491	3.6
134.03635	45.3
135.04001	1.4
137.02348	8.4
139.03925	3.1
143.03404	0.5
145.02852	61.0
146.03197	3.9
149.05977	15.8
150.03148	1.0
150.06340	1.1
161.04463	1.9
161.05843	0.7
163.03912	7.2
165.01903	0.5
165.09114	0.4
178.02634	35.2
179.02977	2.4
187.03946	0.6
193.04991	100.0
194.05342	5.7
198.43942	0.3
205.05003	1.0
247.05940	0.4
307.08221	44.3
308.08557	3.5
369.19562	0.4
441.17645	2.1
452.55692	0.3
476.11017	0.4
498.81305	0.4
501.14008	14.6
501.22543	1.0
502.14514	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	501.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.8
57.03315	1.0
59.01254	19.8
61.98710	4.1
71.01252	15.5
72.99158	1.3
73.02810	4.6
80.43425	0.6
83.01261	1.1
85.02830	6.1
87.00751	1.9
89.02322	12.1
93.03320	1.5
95.01290	0.7
95.69057	0.6
97.02828	0.7
99.00745	4.4
101.02325	9.9
106.04142	0.9
107.04928	0.9
109.02868	0.8
111.00774	1.3
113.02344	5.0
117.03353	21.0
119.03437	1.5
119.04916	12.4
121.02854	4.2
123.04372	0.9
125.02328	2.2
131.03418	1.6
133.02806	1.6
133.06461	0.7
134.03636	63.0
135.03928	3.3
137.02342	8.8
139.03899	3.4
143.03481	0.9
145.02859	100.0
146.03195	4.7
149.04491	4.9
149.05989	19.9
150.03168	1.8
150.06325	0.9
161.04459	3.1
161.05861	1.2
161.09589	3.0
161.13245	0.8
163.03922	9.5
165.92677	0.7
178.02643	38.3
179.03081	2.4
179.05492	0.8
187.04016	1.1
187.11220	3.4
189.09100	1.6
190.02647	0.6
191.05498	1.4
193.04997	80.9
194.05334	4.2
195.32196	0.7
205.05150	0.9
205.12239	1.5
207.10072	0.8
247.06044	1.2
249.11441	0.9
251.11308	1.1
255.83723	0.6
279.32840	0.6
301.53751	0.6
307.08240	66.7
308.08658	5.7
369.19394	4.7
501.14139	28.0
501.23407	16.9
501.30783	0.8
502.14569	6.1
502.22653	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	501.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	10.1
61.98700	3.7
67.08509	0.5
70.56742	0.5
70.57072	1.0
71.01259	5.3
73.02821	1.4
84.71777	0.4
85.02824	2.5
85.05537	0.5
87.00733	0.8
89.02334	2.1
93.03346	1.3
95.01274	0.5
97.06466	0.5
98.20528	0.6
101.02302	3.0
101.05978	2.8
108.02062	0.5
109.02786	1.0
111.00801	0.6
113.02328	2.1
117.03345	1.7
119.04921	100.0
120.05233	4.3
121.02846	3.4
123.04434	0.7
132.02090	5.1
133.02876	8.1
134.03648	6.0
135.04442	6.2
137.02403	1.1
145.02863	3.2
147.04378	0.9
149.04431	0.8
149.06030	1.2
160.00211	0.9
160.01567	23.1
161.02364	27.7
161.04501	2.0
161.09673	0.6
162.02711	1.4
163.03923	51.0
164.04269	2.3
175.03926	26.9
176.04317	1.1
177.05478	9.1
178.02614	0.8
179.03418	4.9
179.10706	0.8
180.03801	0.5
182.04022	0.4
187.11198	0.7
189.09027	0.5
191.07109	0.6
193.01196	0.5
193.04996	5.2
203.03392	0.6
205.12299	1.6
221.04488	2.3
223.13492	0.5
251.11372	1.2
263.05411	0.9
266.25848	0.5
280.05835	0.6
321.74081	0.5
323.07712	26.5
324.08002	1.9
337.09280	25.4
338.09570	2.5
501.14081	19.0
501.23007	3.4
502.14139	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	501.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34841	0.6
55.01756	0.9
57.03319	1.3
59.01252	15.1
61.98698	2.9
64.80476	0.7
69.03297	0.7
70.56445	0.9
70.56766	1.3
70.83657	0.6
71.01251	13.2
71.01617	1.3
72.99168	1.0
73.02815	4.6
77.87328	0.6
83.01247	1.5
85.02817	7.4
87.00731	0.8
89.02329	5.1
91.62821	0.6
93.03336	1.1
93.26841	0.7
95.01272	1.2
96.95892	3.0
99.00758	1.4
101.02325	9.9
103.03920	1.0
111.00769	1.4
113.02325	4.1
117.03352	7.2
119.04918	100.0
120.05263	4.9
123.00753	0.7
123.04420	10.9
124.04784	3.7
125.02335	2.8
125.04938	1.0
125.08342	0.6
127.07512	0.7
131.03413	2.3
132.02072	8.4
133.02847	2.3
133.06490	7.6
134.03636	22.1
135.04070	1.1
137.02379	3.6
139.03929	0.8
143.03421	1.0
145.02847	22.2
146.03236	1.1
149.04604	1.4
149.05988	6.4
150.03146	0.7
151.00340	0.8
151.03951	1.2
153.05470	11.8
154.05820	5.0
155.05954	3.1
160.01566	32.7
161.02316	3.5
161.04431	4.5
163.03918	90.6
164.04250	5.0
172.49374	0.7
175.03922	29.1
176.04291	1.8
177.01826	1.0
177.05524	1.2
178.02643	13.0
179.03320	1.1
193.04990	40.1
194.05333	3.1
197.16776	0.7
252.58511	0.7
255.03111	0.9
271.02460	1.0
307.08163	16.0
307.11377	1.2
308.08533	1.1
309.13409	7.7
323.07584	4.1
337.09308	29.1
338.09592	3.4
359.49078	0.7
441.17615	13.2
442.17789	1.7
484.71622	0.8
489.72556	0.7
501.13925	18.1
501.21194	1.9
502.14661	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	501.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34841	0.6
55.01756	0.9
57.03319	1.3
59.01252	15.1
61.98698	2.9
64.80476	0.7
69.03297	0.7
70.56445	0.9
70.56766	1.3
70.83657	0.6
71.01251	13.2
71.01617	1.3
72.99168	1.0
73.02815	4.6
77.87328	0.6
83.01247	1.5
85.02817	7.4
87.00731	0.8
89.02329	5.1
91.62821	0.6
93.03336	1.1
93.26841	0.7
95.01272	1.2
96.95892	3.0
99.00758	1.4
101.02325	9.9
103.03920	1.0
111.00769	1.4
113.02325	4.1
117.03352	7.2
119.04918	100.0
120.05263	4.9
123.00753	0.7
123.04420	10.9
124.04784	3.7
125.02335	2.8
125.04938	1.0
125.08342	0.6
127.07512	0.7
131.03413	2.3
132.02072	8.4
133.02847	2.3
133.06490	7.6
134.03636	22.1
135.04070	1.1
137.02379	3.6
139.03929	0.8
143.03421	1.0
145.02847	22.2
146.03236	1.1
149.04604	1.4
149.05988	6.4
150.03146	0.7
151.00340	0.8
151.03951	1.2
153.05470	11.8
154.05820	5.0
155.05954	3.1
160.01566	32.7
161.02316	3.5
161.04431	4.5
163.03918	90.6
164.04250	5.0
172.49374	0.7
175.03922	29.1
176.04291	1.8
177.01826	1.0
177.05524	1.2
178.02643	13.0
179.03320	1.1
193.04990	40.1
194.05333	3.1
197.16776	0.7
252.58511	0.7
255.03111	0.9
271.02460	1.0
307.08163	16.0
307.11377	1.2
308.08533	1.1
309.13409	7.7
323.07584	4.1
337.09308	29.1
338.09592	3.4
359.49078	0.7
441.17615	13.2
442.17789	1.7
484.71622	0.8
489.72556	0.7
501.13925	18.1
501.21194	1.9
502.14661	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	501.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	8.8
57.03565	1.6
58.00465	4.0
59.01252	100.0
60.01560	1.4
61.98710	11.6
69.03319	7.8
71.01254	61.1
71.54210	1.3
72.01579	1.5
72.99178	14.5
73.02820	21.2
75.00779	1.6
81.03322	4.7
83.01261	6.7
85.02829	24.2
87.00769	3.5
89.02322	42.3
93.03313	2.5
94.22540	1.8
95.01276	3.1
97.02840	7.4
99.00777	5.9
99.04395	6.3
101.02319	50.2
103.03896	21.8
108.02063	2.1
109.02836	3.1
113.02340	15.6
113.15179	1.4
115.03891	2.6
119.03400	15.0
119.04922	4.7
121.02917	1.8
123.04416	7.8
124.01521	2.1
125.02342	44.1
127.03912	4.9
127.07566	2.0
131.03403	7.9
132.05739	1.7
133.06496	28.5
134.03603	3.4
134.06836	3.2
135.04427	7.0
137.02379	2.6
137.05998	3.2
139.03911	2.4
143.03413	4.7
145.02861	2.9
145.04953	5.6
149.04437	7.1
151.03923	2.3
153.05467	4.0
161.02332	3.7
161.04478	3.7
163.03920	2.5
163.06050	29.2
164.06354	1.6
167.03447	2.7
175.03838	1.8
177.01894	4.2
177.05606	2.3
183.10211	4.9
189.01810	1.7
189.05402	1.7
190.02673	3.1
191.03728	1.5
191.05566	5.3
193.01250	1.7
193.04985	2.0
197.11803	2.9
203.12856	2.4
205.05142	3.0
205.07065	2.7
217.01370	2.5
225.11275	3.7
238.96964	1.4
247.08192	9.0
277.76642	1.4
307.10355	27.0
308.10718	3.4
341.06659	4.9
367.10394	3.3
465.12152	3.1
501.13440	3.6
501.24295	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	501.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08727	1.1
57.03327	7.3
58.00482	1.7
59.01252	100.0
60.01583	1.3
61.98702	13.0
70.88271	1.9
70.88593	1.2
71.01253	32.5
72.99184	3.0
73.02819	11.8
75.00755	2.8
83.01274	4.0
83.04898	4.5
85.02824	14.4
85.23903	1.3
87.00763	11.7
89.02328	10.1
93.06947	1.5
95.01276	2.1
96.95869	1.5
97.06479	4.1
99.00761	3.7
99.04411	1.3
101.02328	22.1
107.04900	9.4
107.31759	1.2
109.02797	1.7
111.00793	2.4
112.13048	1.2
113.02333	14.1
117.03345	4.3
119.03351	1.5
119.04915	4.5
120.05703	4.3
123.04417	1.4
125.02305	3.2
129.01810	1.1
131.03404	2.2
135.04431	4.5
141.09096	1.7
145.02858	16.9
145.10117	2.0
146.03191	1.4
149.04532	2.3
149.05890	1.4
159.02956	2.2
160.01460	1.5
161.04457	11.4
161.09628	17.6
161.13307	9.4
163.03949	1.6
163.11206	2.4
179.10687	2.9
181.71683	1.1
187.11220	22.7
188.11578	1.8
189.09175	15.3
193.04987	2.1
193.06552	5.0
203.44263	1.4
205.12296	15.5
206.12631	1.6
207.08188	2.1
207.10156	9.2
210.51103	1.2
231.10191	2.2
249.11316	8.4
251.11325	18.1
255.16158	2.2
267.12463	6.7
290.07254	1.5
349.49216	1.2
357.15598	1.4
369.19257	1.4
385.25864	4.7
477.25357	1.3
483.22079	2.9
501.23465	85.4
501.30234	4.8
502.23740	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	502.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.2
61.98707	8.6
63.02260	2.0
65.00197	2.3
71.01270	4.7
71.54031	1.2
72.99184	3.1
75.00764	1.2
83.01273	1.0
85.02824	1.9
89.02312	2.7
95.01241	1.1
99.69275	0.9
100.59542	1.0
101.02319	2.1
106.06496	8.6
107.01248	3.3
109.02831	1.2
123.04431	1.1
125.02288	2.4
133.02849	2.0
145.02866	1.3
147.00685	1.1
147.03098	1.8
150.05513	7.6
151.00281	13.2
152.01035	1.3
160.01588	1.4
160.03957	1.5
161.02374	2.2
163.00230	1.6
164.04675	3.9
170.02383	1.5
171.04500	1.8
175.04010	1.0
178.99794	7.2
179.05630	1.1
179.06992	5.5
183.04399	1.6
183.31363	0.9
187.02628	1.7
191.05388	1.2
192.06557	0.9
193.01335	1.2
194.04532	2.0
199.03949	3.8
211.03824	1.4
215.03427	1.5
223.90828	1.0
226.02531	1.8
227.03419	5.5
228.04285	1.3
239.03427	1.6
240.04187	1.2
241.04825	1.6
242.02257	1.1
243.02946	7.7
255.02910	6.4
256.03635	1.2
256.06091	1.2
258.54712	1.1
266.04468	1.4
267.02997	3.0
269.04556	1.5
271.02481	45.5
272.02988	6.5
273.04041	1.5
282.04004	2.3
283.02521	3.7
284.03122	1.4
285.04019	1.8
293.03308	1.6
293.45016	0.9
294.04114	9.3
295.02393	6.1
296.03073	1.1
297.04050	3.1
297.11465	1.2
299.01965	100.0
300.02505	16.2
301.03485	10.7
310.03607	5.4
312.02676	2.5
313.03528	4.8
322.03552	12.0
323.04318	5.0
324.05142	10.8
339.03809	35.6
339.07886	2.0
340.04556	17.4
341.04654	1.4
408.49609	0.9
435.09518	1.5
462.08054	21.1
463.08459	3.0
475.09161	1.2
478.31613	1.1
502.09882	58.9
503.10327	8.0
503.17816	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	502.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.8
59.01254	5.7
61.98709	3.4
65.00179	0.4
70.83468	0.7
71.01253	4.0
72.55937	0.4
72.99201	0.8
73.02808	1.1
83.01244	0.5
85.02829	1.2
86.41261	0.4
87.00742	1.1
87.04356	0.4
87.70502	0.3
89.02312	1.9
93.03320	0.4
99.00771	0.7
101.02306	2.2
104.04969	0.6
106.06508	95.7
107.01281	0.9
107.06836	3.7
109.02804	0.6
111.00803	0.5
113.01587	0.4
113.02322	1.4
115.00260	0.4
117.03349	0.8
118.06506	2.1
119.03403	0.7
119.04937	0.5
120.08112	0.6
121.02827	1.1
123.04410	4.2
124.04739	0.9
125.02335	1.3
130.06502	0.6
131.03363	0.6
137.02328	0.6
143.03441	0.7
145.02870	4.0
146.06058	0.5
150.05516	100.0
151.00313	1.8
151.03940	0.6
151.05875	5.1
153.01907	0.4
153.05492	3.7
154.05786	0.7
161.02328	0.7
161.04468	0.9
163.03911	0.9
164.07085	9.8
165.01834	0.7
165.07516	0.7
167.03410	1.1
174.05554	0.4
177.01842	0.6
179.03450	0.5
179.07043	0.9
180.04050	0.6
192.06606	9.5
193.05008	0.5
193.06880	0.4
194.04527	20.2
195.04912	1.0
195.06584	0.8
217.78424	0.4
225.82086	0.4
234.88588	0.4
236.05598	1.7
241.01500	0.5
243.02844	0.5
255.02919	0.7
266.02304	0.4
271.02390	1.8
297.03952	0.4
299.01944	3.6
300.02753	0.9
301.03522	1.7
307.08176	1.2
311.07736	3.7
312.07986	2.8
313.03442	0.5
340.04730	0.6
341.02951	2.3
442.13409	1.3
462.07983	0.9
465.14209	1.0
466.14359	1.1
502.15649	13.4
502.22672	0.7
503.08237	4.0
503.15796	3.0
525.13641	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.5
61.98705	100.0
71.92451	0.9
72.48463	0.8
74.03586	0.8
129.28268	0.8
132.66931	0.9
133.30484	0.8
152.33649	0.8
179.05450	0.8
187.73009	0.8
208.30328	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64141	1.2
59.01245	2.6
61.98708	100.0
65.89157	1.4
71.54140	1.5
100.07882	1.2
100.90011	1.4
107.05136	1.4
108.02063	4.2
111.69009	1.7
115.75249	1.4
123.04391	3.9
125.91908	1.3
127.11869	1.2
179.05508	1.6
182.98245	1.3
184.66376	1.4
214.04477	1.6
227.42801	1.4
277.21762	2.1
320.97449	1.4
328.05466	1.4
379.15359	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	503.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66711	0.2
55.01748	0.7
57.03316	1.0
58.00471	1.5
59.01251	29.1
60.01569	0.5
61.98705	5.6
69.03322	0.6
71.01254	25.8
72.99200	2.1
73.02824	6.4
73.45637	0.3
75.00739	1.1
77.03808	0.3
81.03338	0.9
83.01268	1.4
83.90434	0.2
85.02823	4.4
87.00733	1.6
89.02319	35.3
89.03830	2.4
90.02647	0.4
93.03307	0.7
95.01271	1.0
95.04890	0.4
97.02829	0.8
99.00760	9.2
101.02321	17.7
102.02702	0.3
103.03893	0.8
104.02570	0.6
105.03350	4.3
108.04443	2.1
109.02851	0.6
109.04757	0.8
111.00776	0.6
113.02324	5.9
115.07493	0.4
116.92758	0.4
117.03352	0.7
119.03400	4.0
119.04891	1.4
120.05305	0.3
121.02852	0.7
123.04396	2.2
125.02354	3.0
131.03400	8.6
132.02081	0.5
133.01825	0.5
133.02852	10.5
133.10196	0.3
134.03732	0.5
135.04398	1.8
135.06528	0.6
135.08061	0.4
135.11670	0.5
137.02344	0.8
139.03920	0.4
142.03523	0.3
143.03383	1.4
145.02870	3.0
146.03203	1.1
147.04370	0.4
148.01599	0.5
149.02368	1.5
149.04460	24.6
150.05603	0.5
151.03935	0.3
151.05798	0.6
153.05565	0.4
159.08022	0.3
160.01558	0.8
161.02403	2.2
161.04457	2.5
161.09631	0.8
163.03903	1.0
163.06018	0.5
164.04520	0.4
165.01865	0.9
165.05481	1.1
165.12834	0.4
175.02437	0.4
175.03928	1.0
176.01114	1.3
177.01854	100.0
178.02176	5.7
179.03467	1.5
179.05486	1.0
179.06912	0.4
179.10712	2.2
181.04982	2.1
191.03688	0.4
191.05536	5.6
193.04962	0.6
193.12296	0.3
195.06598	0.3
203.10826	0.3
209.06047	1.3
213.86020	0.2
219.02870	0.3
221.06630	0.7
225.05557	0.3
233.04459	0.3
233.06738	0.3
241.05116	0.3
251.07733	1.5
260.53802	0.2
293.08743	0.4
297.11853	1.5
307.07858	0.7
307.10559	0.7
308.08511	1.6
311.09799	0.5
311.14941	1.0
323.07739	0.6
337.09500	0.6
341.01309	1.1
346.15179	0.3
371.20590	0.3
400.54666	0.3
443.19217	0.6
503.11551	6.8
503.25256	4.2
504.12085	1.2
504.25018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81491	0.5
55.01743	0.7
57.03332	0.6
59.01253	16.5
61.98701	6.0
62.98164	0.6
69.26594	3.8
69.27001	1.1
71.01255	10.9
72.99155	0.7
73.02823	2.2
73.11542	0.5
76.19528	0.6
77.54700	0.6
83.01269	0.7
85.02838	3.4
87.00784	1.1
89.02322	9.3
93.03358	1.2
95.01256	0.8
98.19819	1.0
99.04391	0.6
101.02335	7.8
107.01281	0.8
107.04910	0.8
108.02070	2.0
111.00803	0.8
113.02344	3.1
117.03343	16.2
117.87141	0.6
118.03641	0.8
119.03401	1.8
119.04911	14.7
120.05234	1.6
121.02843	1.1
123.00774	2.5
123.04393	2.6
125.02334	1.9
131.03413	3.7
133.02846	1.1
133.06505	1.4
134.03641	4.2
135.04457	1.3
136.01567	1.3
137.02332	4.2
143.03496	0.6
143.50276	0.5
145.02858	54.2
146.03217	2.2
149.04472	4.2
149.05684	0.7
151.00293	0.8
151.03957	1.0
153.05453	0.9
159.04449	0.6
161.02396	3.6
161.04550	1.1
161.05984	3.0
162.03152	7.3
163.03926	13.5
164.04361	1.4
165.01831	1.1
165.05527	1.5
175.03995	1.3
177.05515	5.3
179.03325	1.6
179.05588	0.9
179.10744	1.1
180.04211	66.7
181.04582	4.4
189.09193	0.8
191.05598	1.9
193.04994	0.8
195.06567	100.0
196.06870	5.9
199.61012	0.6
205.05013	3.9
235.06137	3.3
247.06001	0.8
265.07202	7.8
297.11908	0.8
307.08246	29.2
308.08646	2.7
311.14828	0.7
323.07605	0.8
357.12000	0.7
371.20892	0.8
389.18124	0.6
443.19199	1.7
485.14319	0.8
503.14349	3.1
503.20941	2.7
504.11407	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1563
Annotation	Dracunculifoside K
Peak:m/z	Relative Intensity
50.49526	0.4
55.01765	0.7
57.03322	5.0
58.00455	0.8
59.01251	28.1
60.01576	0.7
61.98708	4.1
69.03342	0.8
71.01253	14.6
72.01588	0.5
72.99207	1.0
73.02814	3.5
75.00758	0.9
83.01258	1.1
85.02816	4.3
87.00775	1.1
89.02318	12.2
93.03338	0.7
95.01293	0.6
97.02828	0.6
99.00760	3.1
99.03163	0.6
101.02325	9.5
102.02660	0.5
108.02059	1.1
109.02829	1.4
111.00802	0.5
113.02327	5.1
117.03349	20.9
119.03403	1.8
119.04910	13.8
121.02853	4.7
123.04419	2.5
124.01543	1.0
125.02326	2.5
131.03377	3.0
133.02866	8.4
133.06525	0.7
134.03615	2.0
135.04417	12.9
135.06572	0.7
136.05254	2.5
137.02377	1.9
139.03932	0.9
143.03419	1.3
145.02855	100.0
146.03200	5.5
147.04419	3.4
149.04459	7.6
149.05948	1.3
151.03893	1.7
151.07570	2.2
159.02965	0.5
161.02351	28.3
161.04494	1.8
161.05917	1.0
162.02739	1.4
163.02603	0.4
163.03909	10.0
164.04227	0.6
171.10146	1.3
171.36546	0.5
175.03958	2.1
177.05476	3.5
179.03429	8.9
179.05046	0.6
179.05507	0.8
179.07054	9.8
179.10672	1.7
180.04224	5.3
187.03911	1.0
189.05429	0.6
189.91888	0.5
191.03905	0.5
191.05547	2.8
191.07063	0.8
193.05002	2.0
195.06567	27.9
196.06920	1.6
205.05022	0.8
221.04472	2.9
221.06322	0.6
229.05011	0.5
235.06023	1.8
236.11125	0.5
247.05992	0.9
251.05574	1.9
255.02914	0.5
265.07190	0.7
281.06674	3.7
284.03156	0.8
285.04044	2.3
295.08185	1.0
297.11539	1.0
307.08228	37.3
308.08603	3.9
311.14923	2.8
323.07721	12.0
324.07999	0.9
337.08960	0.5
341.08612	1.3
341.12698	0.7
371.20529	1.3
387.23615	1.0
390.36850	0.6
431.09723	0.7
443.19229	2.1
459.16412	1.6
485.14813	0.7
499.66357	0.5
503.15488	36.9
503.24307	1.8
504.15836	6.1
504.23438	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.4
57.03324	2.7
58.00467	4.2
59.01254	59.2
60.38667	0.3
61.02805	0.3
61.85548	0.4
61.98696	2.5
68.99689	0.6
69.03327	2.2
71.01258	47.8
71.25029	0.9
72.01595	1.1
72.99181	6.5
73.02821	7.6
75.00751	5.0
76.48492	0.3
81.03342	1.9
83.01266	5.1
83.04916	1.1
85.02829	35.4
85.99984	1.1
86.03187	0.7
87.00753	6.9
87.04401	1.2
89.02322	29.9
93.03291	0.6
95.01276	3.6
97.02843	1.9
98.03140	0.4
99.00771	3.1
99.04401	1.7
101.02328	23.4
102.02688	0.7
103.03879	4.1
108.02061	0.7
109.02834	1.2
113.02340	12.4
115.03922	0.9
115.91124	0.4
117.03326	0.5
119.03396	9.9
121.02835	0.6
123.04402	1.4
125.02340	3.9
127.03911	3.1
131.03416	4.3
131.04901	0.4
133.04976	0.5
136.01642	0.5
136.99098	0.4
139.00339	0.4
139.03899	0.5
143.03407	2.3
145.02873	1.6
145.04968	8.1
149.02435	0.4
151.03960	0.7
161.04567	1.8
163.06047	16.1
164.04739	0.6
164.06375	0.7
167.03383	0.7
175.00314	0.7
180.04247	0.5
184.92195	0.4
190.02609	2.5
195.02921	0.7
205.07117	100.0
206.07495	5.3
223.06169	1.4
233.06616	1.5
247.08217	8.5
248.08456	0.6
284.33792	0.5
299.51538	0.4
307.10413	1.1
339.10797	0.9
341.06705	0.5
503.17783	22.7
504.17938	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	503.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.8
57.03320	3.9
57.91275	1.5
58.00460	2.6
59.01252	91.8
60.01596	1.7
61.98705	12.8
65.45203	1.6
69.03320	1.5
69.44457	3.2
69.44859	8.5
71.01252	58.9
71.29326	1.6
72.99186	5.3
73.02821	17.6
75.00730	2.0
79.34769	1.4
83.01235	8.1
85.02824	24.5
87.00769	3.3
89.02313	26.5
93.03377	2.7
95.01302	3.6
97.02818	2.3
98.20528	2.8
99.00742	7.1
101.02324	40.0
101.05940	6.5
108.02038	2.2
109.02848	2.2
111.00777	3.2
113.02328	22.9
115.07535	6.4
117.03336	20.3
118.03655	3.4
119.03400	3.2
119.04910	19.9
120.05222	2.2
121.02905	3.0
123.04398	4.6
123.08086	1.6
124.01562	1.9
125.02363	4.0
127.07555	1.6
131.03386	22.2
133.02797	2.4
133.06494	1.9
134.03629	6.7
135.04439	14.7
136.01553	5.0
136.05179	1.9
137.02347	3.3
139.03807	1.8
143.03400	3.0
145.02856	100.0
146.03194	8.5
149.04472	7.4
149.05794	2.0
151.03920	11.1
152.63701	1.4
153.05399	2.2
159.02951	3.4
161.02321	4.4
161.04463	21.3
161.05965	5.9
162.03168	3.5
163.03888	17.1
164.04562	2.3
165.05428	1.8
170.65068	1.7
174.52751	1.5
175.00348	2.0
175.03864	2.1
176.07076	2.6
177.01875	10.6
177.05475	7.1
177.90083	1.6
178.02522	2.4
179.03313	2.3
179.07063	5.7
183.10196	2.5
190.02710	3.5
191.03497	2.5
191.05553	2.9
193.05052	7.9
194.05368	4.6
195.06645	16.7
205.05038	10.7
215.05634	2.0
235.06068	5.6
239.73894	1.5
247.25409	1.5
265.07285	9.9
281.13724	3.2
293.08469	2.0
307.08231	24.3
308.08545	5.4
309.08832	3.0
311.14996	62.2
312.15286	5.7
357.13306	6.8
367.10449	3.1
369.95285	1.5
443.19162	64.1
444.19632	9.4
456.41116	1.7
481.80365	1.7
503.15198	34.2
503.25854	8.7
503.31467	2.4
504.15811	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	504.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27713	1.7
59.01250	17.1
61.98701	4.6
63.02272	2.1
65.00200	2.5
65.99708	1.6
66.78291	2.2
69.48424	11.7
71.01257	14.2
73.02824	4.0
78.02116	1.5
83.01249	5.2
85.02821	4.3
88.22216	1.5
89.02311	10.3
93.03318	5.1
99.00768	2.8
101.02312	9.7
107.01260	7.0
108.02055	3.6
108.08078	27.8
109.02842	5.7
111.00755	4.8
113.02338	2.5
116.52612	1.7
117.03347	3.9
119.04919	9.4
121.02822	5.3
122.03647	12.4
123.00785	4.0
123.04393	11.1
125.02338	4.3
131.03369	3.1
132.02065	13.5
133.02852	5.8
134.02373	5.0
134.03621	10.6
135.00728	2.8
135.04468	3.1
137.02354	12.2
145.02858	10.7
146.02307	2.5
149.02368	3.9
149.04433	8.0
149.05974	2.0
151.00304	19.7
151.03967	3.8
152.07074	23.8
153.05476	1.6
157.65555	1.5
160.01572	60.4
161.02356	9.1
162.01859	10.5
163.00307	4.0
163.03899	10.4
164.03418	15.5
175.03920	60.0
177.01849	18.3
177.05486	2.4
178.02295	3.0
178.99728	7.7
181.05013	2.9
186.01868	5.8
190.01413	4.0
193.01294	2.5
193.05002	6.0
194.08205	2.0
196.06082	15.2
196.53442	1.8
199.03900	2.4
201.05548	1.7
203.02048	2.2
204.02974	15.8
211.03966	2.4
227.03426	8.7
229.05060	2.4
230.00677	2.4
243.02876	5.4
255.02983	21.6
257.04507	1.8
266.04584	2.5
269.04553	3.2
270.04193	2.8
271.02490	21.2
272.03098	4.7
273.04034	2.6
278.04630	2.5
279.03012	5.9
283.02515	8.3
284.03177	6.3
285.03882	2.3
295.04794	2.8
295.08252	3.4
297.04044	5.5
300.02695	29.3
300.05664	2.4
301.03555	34.2
302.03903	3.6
306.04227	15.9
323.04358	15.7
323.07578	2.5
324.05154	39.1
325.05481	3.2
337.09348	8.5
339.07028	5.3
341.05374	24.2
341.09033	3.1
342.05951	7.4
343.06708	2.2
343.11627	4.5
350.03699	1.9
366.08560	2.2
384.09302	14.6
410.07291	3.9
437.10690	2.2
440.04089	1.7
445.07840	1.9
447.08972	3.2
458.28256	1.6
461.14572	44.0
463.08768	17.4
486.10522	17.6
504.11462	100.0
504.17343	4.5
505.11359	23.3
505.19290	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	504.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.2
57.03305	1.1
59.01249	13.0
61.13783	0.9
61.98686	3.4
63.02260	1.4
65.00188	2.2
65.99710	2.5
69.48104	3.8
69.48516	1.5
71.00899	1.0
71.01258	13.3
71.77870	0.7
72.99165	1.1
73.02797	2.4
77.77674	0.7
83.01263	4.2
83.04842	0.8
85.02821	4.7
87.00738	2.3
89.02323	9.8
93.03331	4.6
95.01259	2.5
99.00747	1.9
101.02326	6.3
107.01272	6.0
107.04917	1.1
108.02029	2.9
108.08080	15.3
109.02827	5.6
111.00750	3.0
113.02343	3.8
117.03308	4.1
118.02872	1.2
119.03419	1.9
119.04937	8.1
121.02818	5.6
122.02380	1.2
122.02744	0.9
122.03639	12.2
123.00777	3.2
123.04432	8.1
124.01538	1.7
125.02358	5.3
131.03378	3.2
132.02071	14.8
132.08185	0.8
133.02835	3.6
134.02365	5.9
134.03619	9.1
135.00774	1.3
135.04408	3.1
136.01543	1.8
137.02359	13.9
139.00235	1.5
145.02869	9.5
146.02344	1.9
147.04364	0.9
148.01575	1.2
149.02365	4.9
149.04443	4.8
149.05885	1.5
151.00281	21.3
151.03951	4.6
152.00940	1.9
152.05945	1.4
152.07085	16.0
155.03436	0.7
157.06505	1.2
158.02386	1.4
159.04439	1.4
160.01581	52.7
161.02367	9.8
161.04462	1.5
161.05911	0.9
161.67574	0.9
162.01880	14.3
163.00337	5.5
163.02608	1.3
163.03906	7.9
164.01193	1.1
164.03430	16.9
165.01825	1.3
166.08690	2.4
166.99741	1.1
169.01324	2.7
170.02365	0.9
171.03114	1.6
171.04408	1.3
172.03909	1.7
175.03932	54.2
176.01059	1.8
177.01855	22.7
177.05409	1.3
178.02249	2.8
178.99808	8.8
179.03424	1.4
181.01320	0.8
181.04974	2.3
183.04408	1.9
186.01891	6.5
187.03970	1.9
190.01335	6.7
191.01904	1.1
191.03563	0.9
191.05463	2.2
192.00629	1.4
193.01324	2.2
193.05011	7.0
194.07948	0.8
196.06093	11.7
197.04410	1.6
197.06145	1.2
199.03970	2.5
201.05481	1.2
202.99789	1.2
203.02118	5.3
204.02963	15.9
205.01495	0.9
205.03290	0.8
205.05038	2.2
206.99239	0.9
207.02977	0.7
211.03917	2.6
211.37099	0.8
213.05548	1.1
215.03534	1.0
217.04933	1.6
222.63992	0.8
225.05484	1.4
226.02699	1.1
226.04810	0.8
227.03447	7.9
229.05049	2.8
230.00800	2.2
234.23141	0.8
235.06001	1.1
238.07233	1.1
239.03476	1.8
240.04330	1.3
241.04993	0.9
243.02954	5.0
245.04657	1.0
250.05090	1.5
251.03419	1.1
253.05063	1.5
254.04622	1.2
255.02965	21.8
256.03531	4.0
257.04431	3.9
259.02365	1.6
266.04578	2.7
268.03644	1.9
269.04581	4.2
270.04236	4.1
271.02472	16.4
272.03104	4.2
273.04010	3.5
274.04251	1.0
278.04575	3.4
279.02927	7.4
280.03207	0.9
283.02444	11.0
284.03165	7.4
284.05765	1.4
285.03925	2.3
294.04111	2.7
295.04959	1.7
295.08252	2.7
296.03033	1.9
296.64066	0.8
297.04080	5.2
299.01767	1.6
300.02728	28.4
301.03513	37.4
302.03848	3.3
305.03412	2.2
306.04050	13.5
307.04535	2.8
307.08279	1.1
313.03394	1.0
313.09235	1.6
314.04269	1.7
323.04358	20.6
323.07837	2.1
324.05136	42.4
325.05573	3.9
325.14780	0.9
329.08881	1.0
330.59930	0.9
337.09186	11.4
337.15796	0.8
339.07162	4.9
341.05341	21.9
342.05991	8.3
343.06781	1.2
343.11676	1.9
357.07944	1.0
358.08600	1.1
371.06104	0.9
384.09402	11.4
385.09753	1.6
410.07306	3.7
437.10648	1.3
445.07629	0.9
446.08389	1.9
447.09216	2.6
461.14554	56.7
463.08826	14.5
464.08972	2.4
473.11002	1.4
477.10394	0.9
486.10443	16.4
487.10654	2.3
504.11438	100.0
505.10965	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	504.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	3.9
60.73349	0.7
60.97350	0.8
61.98705	100.0
69.84811	0.8
70.69247	1.8
70.69569	0.8
71.54704	0.7
72.28251	0.8
78.95772	5.6
96.96864	0.9
131.78278	0.7
152.99489	9.5
211.63834	0.7
227.03362	1.0
245.04126	1.6
277.21753	23.5
279.23218	1.1
311.68735	0.8
505.25598	14.4
505.32327	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0991
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.01752	0.3
57.03321	0.4
58.00468	0.3
59.01254	3.3
61.66552	0.1
61.98697	0.5
62.61534	0.1
63.02270	0.5
65.00188	1.4
69.03322	0.2
69.27257	1.3
71.01256	5.2
72.99191	0.8
73.02817	1.6
83.01252	1.5
85.02822	1.8
87.00742	0.4
87.57136	0.1
87.68610	0.2
89.02317	2.6
91.01790	0.2
92.52657	0.1
93.03316	0.4
95.01291	0.3
97.02819	0.3
99.00756	0.6
101.02322	3.5
106.06502	0.2
107.01276	2.4
108.02060	1.5
109.02850	1.5
109.83096	0.2
111.00762	0.4
113.02329	2.0
117.03351	0.5
119.01269	0.3
119.03375	0.3
119.04948	0.5
121.02831	2.0
123.00798	0.3
123.04430	0.4
124.01599	0.2
125.02347	2.1
129.01811	0.3
131.03384	1.2
133.02803	0.2
135.00795	1.0
135.04385	0.2
137.02322	0.3
139.03923	0.3
143.03369	0.3
145.02875	2.3
147.00818	0.2
148.01604	1.8
149.02350	0.5
149.04453	1.5
151.00279	9.5
152.00652	0.3
153.01854	1.1
153.05518	0.2
159.02885	0.3
159.04382	0.2
161.02409	0.4
161.04491	2.4
163.00290	2.2
163.03984	0.5
164.01044	0.7
164.04688	0.4
165.01854	0.2
169.01381	0.8
171.04382	0.2
174.01663	0.2
174.03214	0.2
175.03951	0.3
178.99791	5.2
179.03394	0.1
179.06992	0.2
180.00049	0.3
181.04910	0.3
181.08168	0.1
183.04437	0.5
187.03955	0.5
188.04762	0.2
190.99837	0.3
191.05560	0.3
192.00554	0.3
193.01312	0.2
196.39560	0.2
198.03041	0.2
199.03876	1.0
201.01883	0.3
201.05435	0.3
203.03444	0.4
211.03989	1.0
213.01753	0.2
215.03500	0.8
216.04280	0.5
226.02628	1.7
227.03447	3.3
228.04019	0.4
229.01323	0.3
229.04985	0.6
233.06712	0.2
239.03510	0.2
243.02969	10.4
244.03355	1.1
245.04443	1.2
254.02206	2.4
255.02971	25.4
256.03333	2.7
257.04538	0.2
271.02475	56.8
272.02899	6.6
273.04056	1.0
283.02469	1.4
299.02020	1.2
300.02740	100.0
301.03448	50.5
301.10535	0.3
302.03864	3.7
307.08215	0.9
313.03629	0.2
326.02878	0.2
343.04568	0.7
373.22275	4.7
374.22806	0.3
463.08813	3.7
464.09174	0.5
505.09885	70.0
506.10172	11.5
506.25833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96301	0.3
54.65501	0.3
59.01260	2.2
61.98714	0.5
65.59978	0.3
66.45758	0.3
68.65302	0.3
79.90063	0.4
87.72764	0.4
93.03313	0.4
96.95876	0.4
108.81377	0.4
121.02850	100.0
122.03160	3.6
123.04400	0.3
137.28316	0.3
152.13213	0.4
163.04018	0.3
168.96349	0.3
180.05739	0.6
181.06517	2.8
197.06030	2.7
207.04489	1.4
225.05603	2.6
235.50533	0.4
251.07199	0.4
269.08286	0.4
313.07217	4.7
314.07565	0.4
357.06091	1.0
383.07733	1.0
391.65250	0.4
417.09796	8.6
418.10287	1.5
461.12674	0.8
461.19113	0.7
505.11490	7.4
505.31763	1.3
506.11774	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	505.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24053	1.4
59.01252	13.9
60.74795	1.4
61.98682	4.1
71.01259	11.8
71.54903	1.8
72.99174	1.6
73.02824	3.8
73.19971	1.9
79.40472	1.4
83.01282	2.6
85.02828	4.3
87.00752	2.6
87.04452	1.6
89.02324	5.9
89.87267	1.6
91.28752	1.3
93.03347	4.5
99.00792	1.4
99.04459	1.4
101.02356	5.5
107.01269	2.8
108.02059	2.8
108.08086	6.3
108.50600	1.5
109.02831	4.2
109.08425	1.6
111.00760	4.5
113.02341	3.4
117.03346	4.1
119.04934	14.5
120.99564	2.1
121.02818	3.6
122.03636	22.2
123.00808	1.7
123.04447	15.3
125.02335	3.8
132.02083	21.9
132.57446	1.6
133.02840	4.7
134.03648	16.0
135.04398	4.4
136.01584	3.9
137.02377	7.7
145.02831	10.3
149.05977	3.6
151.00272	6.8
151.03914	5.1
152.07112	5.3
153.01840	2.2
153.05502	1.7
153.07454	2.9
160.01570	95.5
161.02351	17.5
161.04503	2.5
163.00331	2.2
163.03912	14.2
164.03421	1.9
166.08519	1.5
167.09024	1.5
175.03934	100.0
176.04301	6.3
177.01866	4.4
178.02280	2.9
178.99776	2.2
179.03528	1.9
181.04996	5.7
193.04962	11.2
196.06032	3.9
197.04509	4.0
197.06337	2.2
204.02899	2.3
212.37212	1.7
217.70445	1.8
243.02844	2.8
255.02951	12.2
256.03281	4.9
271.02490	20.1
272.02908	3.1
278.30804	1.6
283.02432	2.9
284.03101	1.9
285.03836	1.9
300.02695	38.2
301.03464	22.7
302.03845	6.6
323.07632	4.2
324.04837	5.2
325.05295	7.5
337.09341	19.0
341.09082	2.1
342.05786	3.4
343.11603	4.5
385.09814	2.0
447.08829	1.8
461.14578	79.1
462.14890	13.4
462.20972	1.9
464.09329	3.8
473.10361	2.1
487.11417	3.3
505.11346	31.9
506.10715	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	505.1351
Annotation	Dracunculifoside C
Peak:m/z	Relative Intensity
55.01750	1.8
57.03309	2.9
59.01254	23.8
61.98702	8.4
67.01775	1.3
68.99676	1.5
69.03327	1.0
71.01255	29.6
71.34678	1.3
72.99187	1.8
73.02818	7.8
75.00745	1.1
79.43804	0.8
81.03333	1.9
83.01272	5.2
83.01970	0.8
85.02823	11.1
87.00771	4.4
89.02319	14.9
91.01786	2.0
93.03318	2.3
95.01264	3.6
99.00751	2.1
101.02323	19.7
107.01295	3.2
108.02048	10.4
108.64530	0.8
109.02852	7.7
111.00771	12.2
113.02336	10.0
117.03348	2.0
119.03396	2.3
119.04904	2.6
121.02855	2.5
123.00735	4.6
123.04426	14.4
125.02339	5.7
131.03419	7.7
132.02080	1.3
133.02876	6.9
134.03635	51.7
135.04488	5.0
136.01578	1.2
137.02357	14.4
137.05972	2.8
139.03909	3.4
143.03432	1.9
145.02863	4.1
147.04483	1.0
149.02373	1.5
149.04488	4.3
149.05983	22.2
150.03098	1.5
151.00276	9.0
151.03906	1.9
152.01065	15.8
153.01863	11.0
159.02913	0.9
160.01569	1.9
161.02370	19.7
161.04420	6.5
162.02780	1.4
163.03911	3.3
166.02568	1.0
167.03426	28.9
168.03778	1.5
175.03915	4.6
177.01840	1.4
178.02650	40.9
179.03271	3.9
179.05463	0.9
179.07062	0.8
181.04977	13.5
182.05406	0.9
189.01830	1.2
191.05551	1.8
192.04242	2.7
193.05008	100.0
194.05287	5.3
195.02867	1.3
205.04956	0.9
207.06589	2.9
215.05737	0.9
221.04565	1.6
223.05917	1.1
233.06664	2.0
255.02919	2.0
271.02484	2.3
293.08917	1.1
296.05374	3.4
297.06137	10.9
300.02747	3.5
301.03354	1.5
307.08218	1.2
311.07721	27.8
312.08121	2.2
323.07687	2.3
337.09390	2.6
341.06836	1.2
343.10309	5.9
373.22308	10.8
417.21542	1.6
453.69876	1.0
461.14566	2.2
466.31195	0.9
487.25519	0.9
505.13583	80.8
505.26248	20.4
506.14053	11.9
506.26886	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.6
57.13023	0.2
58.50660	0.2
59.01255	4.8
61.98705	1.1
65.00204	0.8
67.01767	0.3
69.03308	0.2
70.83114	0.5
71.01261	3.2
72.99168	0.2
73.02827	0.8
81.03342	5.6
82.03694	0.2
83.01261	3.1
85.02828	1.4
89.02328	1.8
93.03334	0.9
95.01287	0.5
95.04904	1.3
97.02878	0.4
99.00744	0.4
99.04404	0.4
101.02334	1.8
105.03383	0.3
107.01295	0.7
108.02077	0.3
109.02832	0.5
113.02328	1.0
119.03374	0.5
119.04948	0.6
121.02853	0.8
121.10134	0.2
122.03639	0.2
123.04419	38.3
124.01567	0.4
124.04758	1.2
125.02349	6.2
128.83427	0.2
131.01360	0.4
131.03419	0.6
132.02058	0.4
133.02859	0.8
134.03656	1.0
135.04408	1.1
137.02357	1.5
137.05974	0.7
139.03914	1.1
145.02884	0.4
149.02383	1.4
149.04489	0.6
149.05910	0.2
151.00294	1.5
151.03909	0.8
152.04607	0.3
159.02855	0.3
160.01543	1.5
161.02362	1.2
161.04471	0.8
163.03926	1.3
165.05481	0.3
165.09140	0.2
166.02608	1.1
167.03429	100.0
168.03769	4.7
175.00308	1.1
175.03954	1.4
177.01872	3.0
177.05515	0.4
179.03471	1.5
179.07101	1.8
180.04222	0.3
181.05014	2.8
182.05508	0.3
191.03447	18.9
191.05336	0.6
192.03813	1.0
193.05049	1.1
196.03763	0.7
209.04526	6.6
210.04807	0.4
221.04518	1.7
233.04449	1.2
235.06053	0.4
239.05603	0.2
242.89159	0.2
258.89297	0.2
265.06827	0.2
290.95929	0.2
295.08328	0.9
311.07776	0.3
323.07736	2.3
327.04831	0.2
337.09488	1.1
343.28662	0.3
373.22067	0.2
389.02353	0.2
487.13068	0.3
505.13461	6.8
505.20770	0.5
505.28482	0.3
505.33557	0.7
506.13916	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.4
57.03344	0.5
59.01254	7.9
60.73840	0.4
61.98709	2.5
71.01260	3.9
72.99189	0.6
73.02834	1.0
75.00745	0.6
83.01266	0.6
85.02825	2.1
87.00801	0.5
88.98683	0.5
89.02314	2.0
93.03357	0.7
98.20550	1.0
99.00771	0.8
101.02322	2.6
103.93816	0.4
105.03297	0.4
109.02867	0.4
111.00780	1.1
113.02348	1.6
117.03352	23.4
118.03690	1.1
119.03484	0.5
119.04922	10.6
120.05248	0.5
121.02850	10.8
122.03622	0.6
123.00751	0.6
123.04408	0.9
125.02371	0.9
133.02853	1.1
135.04453	0.9
137.02354	0.5
141.52512	0.4
145.02861	100.0
146.03189	5.1
149.02354	0.7
151.00336	1.0
151.03911	0.8
153.01868	0.4
153.05423	0.7
158.27046	0.4
159.04353	0.5
161.02336	2.7
161.04485	1.0
161.05939	1.2
163.03926	11.1
163.59802	0.4
164.04713	25.0
165.05179	1.2
175.03923	0.5
177.01868	0.6
178.99837	0.5
179.03461	2.5
179.07053	9.5
182.02119	1.5
182.05766	0.8
183.06444	0.4
187.03983	1.0
194.05838	2.8
197.04495	2.5
197.08127	1.7
203.06895	0.5
205.05048	0.6
209.08170	6.8
235.05948	0.5
243.02937	0.7
247.06134	1.0
255.02916	1.6
271.02438	2.2
272.02667	0.7
289.07196	0.7
300.02731	3.6
301.03412	1.7
307.08240	47.5
308.08603	5.0
323.07446	0.6
379.60016	0.4
461.14618	0.9
505.10260	2.4
505.17053	25.5
505.26437	3.0
506.10510	0.6
506.17465	4.3
506.24854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	2.2
55.53726	1.4
57.03355	3.5
58.00470	2.9
59.01252	60.0
61.98704	8.4
71.01256	40.8
71.54219	1.6
72.99178	4.1
73.02825	9.9
75.00743	1.8
83.01259	3.8
85.02827	13.0
87.00758	6.5
87.39447	1.5
89.01768	2.1
89.02319	33.3
93.03316	4.1
98.44869	1.6
99.00780	2.1
101.02329	23.5
111.00797	5.4
113.02349	15.2
114.84373	1.6
117.03372	17.2
119.01273	1.7
119.03400	6.0
119.04948	12.4
120.99551	16.5
121.02845	2.1
123.04436	3.7
125.02340	4.0
131.03404	11.9
132.02081	22.1
132.03001	2.8
133.02831	4.0
134.03635	29.1
135.04366	6.1
137.02335	5.0
145.02863	63.7
146.03191	2.0
147.04465	4.3
149.02362	3.1
149.04478	9.1
149.05989	6.0
151.03835	1.9
153.05394	1.9
160.01575	98.6
161.02406	9.3
161.04494	8.2
161.05899	3.3
163.03912	16.4
164.04726	13.6
165.05426	2.6
173.06047	1.8
175.00352	4.6
175.03934	96.9
176.04376	6.0
177.01891	4.5
177.05473	3.3
179.03433	6.5
179.05495	4.5
179.07130	6.2
190.02695	8.1
191.05536	3.3
191.07101	2.2
191.14369	6.4
193.05023	29.5
205.05045	9.2
207.12042	4.9
211.07622	2.7
223.06047	2.2
235.06036	7.7
237.13222	5.3
239.05829	1.7
251.05792	1.8
295.08334	2.0
307.08298	14.4
313.16571	13.9
325.14728	8.9
343.15683	2.3
373.22134	2.4
425.89166	1.9
445.20685	26.9
446.21255	3.2
452.99994	1.8
487.16019	18.6
488.16467	4.2
505.16452	100.0
506.16663	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	505.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.9
61.98706	2.0
69.49438	2.9
71.01252	4.2
72.99209	0.5
73.02824	1.5
80.10698	0.4
85.02828	1.8
87.00740	2.1
89.02312	3.2
93.03349	1.0
98.19798	0.8
101.02336	2.8
107.58828	0.5
111.00769	1.1
113.02338	1.6
117.03350	29.5
118.03683	1.2
119.04913	14.4
119.05733	0.9
120.05312	0.5
120.99517	0.5
121.02847	1.4
122.03623	1.0
123.04390	1.4
124.14259	0.4
124.15401	0.5
125.02339	0.4
129.97835	0.5
131.03387	1.2
132.02040	0.6
133.02866	0.7
134.03627	0.8
134.94777	0.5
135.04434	1.3
137.02353	1.3
137.06041	0.5
145.02856	100.0
146.03172	5.8
147.04527	0.8
149.02356	1.7
149.04488	0.7
149.05981	1.0
151.03905	0.5
155.52274	0.5
159.04497	0.5
160.01549	1.8
161.02327	0.6
161.04652	0.6
161.05995	1.2
163.03931	17.4
164.04707	11.5
165.05342	1.4
167.07053	0.5
173.59497	0.4
175.03943	2.6
177.05467	0.7
178.06303	0.6
179.07056	6.7
182.05772	1.1
187.03941	0.9
193.04945	0.7
193.92651	0.5
197.08133	1.4
198.08128	0.4
205.04997	1.4
217.35460	0.4
219.06351	0.5
227.51251	0.4
235.06027	1.3
265.07257	0.8
267.06516	0.7
307.08237	12.2
308.08612	1.3
313.16586	0.9
327.10855	0.6
337.09146	1.0
340.09500	0.6
343.11865	1.1
355.11795	1.6
381.12076	0.6
396.03131	0.4
445.20453	0.9
487.16049	19.6
488.16565	3.0
493.33188	0.5
505.17065	20.2
505.26242	1.2
506.17358	3.0
532.78644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.7
59.01255	23.2
59.34049	0.6
61.98705	3.2
63.15032	0.6
63.68197	0.6
64.20610	0.6
65.00202	0.8
69.39812	1.6
69.40219	3.1
71.01254	14.7
72.19363	0.6
72.99171	1.0
73.02823	2.4
75.00734	1.0
83.01263	1.7
85.02842	3.7
87.00747	1.7
88.45354	0.6
89.02330	13.8
89.03846	1.0
91.01791	1.6
93.03319	1.7
95.01263	1.2
95.04897	0.7
99.00765	0.9
101.02324	8.8
105.03364	1.3
107.04928	1.3
109.02909	0.9
111.00803	0.8
113.02347	4.5
117.03403	3.1
119.01240	3.6
119.03396	2.3
119.04927	4.8
121.02879	3.7
122.03618	1.0
123.04442	1.4
125.02335	1.5
129.01820	0.7
131.03412	4.6
132.02075	1.1
133.02864	11.6
134.03578	1.0
135.04459	3.5
137.02383	3.6
137.05975	2.3
143.03418	0.7
145.02869	7.1
146.03186	0.7
147.00822	5.1
147.04417	1.1
148.01503	1.5
149.02382	13.6
149.04445	5.8
150.03105	2.2
151.03934	1.0
152.01024	1.2
153.01776	0.8
153.05505	1.1
161.02361	24.2
161.04434	1.4
162.02811	0.9
163.03934	5.2
164.03442	0.9
164.04718	12.1
165.01912	1.1
165.05489	1.2
175.00313	22.4
175.03918	2.3
176.01056	6.3
177.01871	40.2
178.02200	4.5
179.02106	1.2
179.03433	2.9
179.07001	1.5
181.05014	0.8
189.01758	0.9
190.02660	60.6
191.03329	11.5
191.05518	2.4
192.04190	1.0
194.02087	0.7
197.08177	2.0
205.05026	59.2
206.05429	3.8
206.07266	0.6
207.06407	0.9
208.03680	1.6
209.04478	5.6
221.08183	1.2
223.06081	16.6
224.06384	1.2
239.05672	1.3
247.86900	0.7
251.05612	1.9
265.07181	3.4
271.06308	0.8
281.06812	1.4
295.08182	0.9
307.08313	3.1
311.07666	1.7
312.08322	0.7
313.16449	1.6
325.09326	0.7
367.10440	1.1
445.20660	7.3
446.20856	1.1
470.69598	0.7
475.12784	1.2
490.14764	3.0
505.17178	100.0
506.17487	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	505.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.7
57.03319	2.5
58.00470	2.5
59.01254	69.7
61.75122	1.5
61.98711	13.4
65.70561	1.5
69.32635	12.7
69.43896	1.8
71.01255	48.3
72.99208	4.0
73.02820	9.1
79.01705	1.7
81.46747	1.5
83.01267	5.3
85.02833	17.8
87.00734	9.0
88.44570	1.6
89.02322	37.8
93.03333	5.4
93.74129	1.8
95.01268	3.1
97.02824	2.3
99.00775	5.2
101.02328	32.9
107.04874	2.0
108.02047	2.3
111.00752	9.5
111.15470	1.6
113.02327	17.2
117.03352	12.0
119.03376	8.8
119.04913	7.7
120.99555	39.2
121.02881	2.9
123.04407	3.1
125.02353	4.0
131.03419	11.5
132.02058	20.5
133.02858	4.1
134.03627	28.2
135.04469	8.7
137.02370	11.0
143.03406	2.7
145.02861	41.0
146.03264	1.5
147.00818	1.8
147.04437	8.6
149.02357	7.6
149.04428	11.2
149.05968	7.4
151.03850	2.3
153.01872	3.1
160.00229	4.1
160.01572	83.3
161.02365	14.9
161.04471	6.6
161.05981	7.0
162.02730	1.9
163.03951	11.6
164.04713	8.2
165.01813	1.7
165.05414	1.8
167.07019	2.3
173.00847	4.9
175.00302	7.1
175.03926	100.0
176.04445	5.0
177.01839	6.7
177.05519	3.6
179.03371	7.9
179.05623	3.6
179.07077	5.2
181.08675	2.7
189.05399	3.5
190.02649	20.9
191.03487	3.3
191.05534	5.5
191.07108	3.4
191.14345	16.0
193.05014	31.2
194.05399	2.6
195.03009	4.1
197.04434	1.8
205.05019	16.9
207.06732	2.3
207.12065	10.8
209.04489	2.8
211.07555	4.9
223.06049	6.1
233.06706	2.6
235.06110	8.4
237.13168	16.7
238.13547	1.9
239.05524	2.4
255.05188	2.4
281.06580	3.3
293.08740	3.4
299.02142	1.7
307.08240	7.8
313.16580	14.9
314.16940	1.7
318.32086	1.8
325.14795	18.8
326.15024	2.2
328.13095	2.1
335.03812	1.8
343.15411	4.8
373.22345	6.5
418.05579	1.9
445.20587	22.3
446.21060	3.7
487.15488	12.1
488.16586	2.0
505.16980	75.1
505.21704	42.6
506.17386	13.0
506.22003	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	505.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	84.1
61.98709	19.0
69.64265	15.2
69.64694	7.5
71.01260	83.0
72.99164	4.4
73.02810	12.6
75.00750	8.6
83.01245	5.8
85.02826	24.3
86.76958	3.5
87.00756	12.4
88.98646	4.3
89.02317	90.9
95.01282	4.4
97.02784	4.3
99.00767	8.4
101.02331	68.2
101.64861	3.5
113.02337	41.3
115.00229	5.6
115.03906	3.7
117.05466	4.3
119.03399	39.7
123.04371	5.8
125.02317	10.2
127.31325	4.2
131.03412	10.2
137.02336	6.5
138.01901	5.3
143.03419	15.4
150.56488	3.7
161.04483	32.5
179.05537	100.0
182.02051	8.0
197.04503	5.8
221.04832	3.3
221.06671	26.1
313.09329	6.3
314.59882	3.7
445.17191	38.5
465.80630	3.8
505.15393	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.6
57.03323	3.3
59.01253	94.7
67.01751	3.2
71.01251	59.6
71.12493	2.9
73.02811	14.7
75.15959	1.9
83.01270	4.9
85.02813	19.4
87.00756	17.3
89.02315	65.4
93.03329	7.2
93.75341	1.9
98.20497	2.3
99.00768	7.9
101.02322	42.7
108.02038	3.2
111.00768	100.0
112.01147	2.8
113.02338	15.5
119.03384	5.9
123.11006	1.8
125.07203	2.6
131.03400	39.4
135.04410	13.1
135.80374	2.1
137.02330	4.1
143.03410	4.5
148.01567	4.3
149.04475	44.0
161.04460	8.8
173.00789	7.3
173.04492	7.0
176.01070	4.5
177.01834	2.5
179.03442	11.7
179.05493	4.7
191.05530	28.8
233.06583	2.5
264.18964	1.9
271.86630	1.9
273.75134	2.0
313.16553	21.3
314.16837	2.8
373.22311	2.4
445.20764	46.6
446.21060	8.0
505.18912	5.2
505.26703	9.3
506.26575	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	505.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.1
57.48432	0.9
58.00469	2.2
59.01251	93.7
60.01579	1.0
64.06339	1.0
69.57387	2.3
69.57796	3.4
71.01255	55.0
72.01590	0.9
72.99194	2.8
73.02823	8.2
75.38811	0.9
83.01270	2.0
85.02827	7.3
87.00761	3.1
88.84396	0.9
89.02318	100.0
90.02645	1.9
91.38454	1.0
95.54401	1.0
98.20505	1.1
98.78590	1.0
99.00769	2.4
101.02322	44.2
102.02686	1.3
113.02336	13.5
119.03392	7.1
123.04417	3.7
125.02326	2.1
131.03398	54.2
132.03702	1.0
143.03320	1.3
149.04462	89.0
150.04814	3.6
153.05486	5.9
161.04463	2.2
177.01843	8.6
191.05536	35.9
192.05923	1.1
211.22108	1.0
228.08098	1.1
251.07500	1.7
288.81476	0.9
309.91336	1.2
315.69089	1.2
339.13547	1.1
352.95895	1.0
360.73792	1.1
373.77756	1.0
399.79630	0.9
471.30872	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93784	0.4
59.01248	2.1
61.98699	1.4
70.82459	0.5
70.82790	1.1
71.01254	0.7
78.95779	29.2
83.85574	0.5
92.96352	0.5
96.95918	0.7
96.96847	2.8
134.57043	0.5
152.99498	42.8
153.99844	0.5
171.00557	2.4
195.62753	0.4
221.80415	0.5
227.03236	6.2
245.04308	3.4
259.20718	0.6
277.21729	100.0
278.22058	12.1
374.76224	0.5
413.20816	1.3
425.11685	0.5
471.71603	0.5
505.25735	61.8
506.26108	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	505.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.9
69.41367	3.0
72.41561	0.4
78.95776	9.2
88.51015	0.4
93.10717	0.4
96.96841	0.7
113.79828	0.4
136.22752	0.4
137.12923	0.4
152.99493	15.4
153.99837	0.4
158.81326	0.5
164.30310	0.4
171.00572	1.3
171.28502	0.4
227.03198	2.9
230.17960	0.5
233.22711	0.8
245.04329	1.9
259.20654	1.0
277.21719	100.0
278.22052	11.6
289.65405	0.4
505.25732	26.6
506.26062	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	505.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31560	0.3
55.01516	0.4
55.01760	4.3
57.03324	4.0
58.00480	2.1
59.01252	41.5
60.01577	0.5
61.98703	4.5
62.14999	0.3
67.01752	0.6
68.99697	0.6
69.03328	1.4
71.01254	65.7
72.01572	0.9
72.99180	3.2
73.02818	21.6
75.00742	1.3
81.03340	1.1
83.01257	12.5
85.02826	29.5
85.99967	1.6
86.03166	0.8
87.00757	4.3
89.02319	19.1
90.02657	0.6
91.01780	0.8
93.03339	3.6
95.01261	4.6
96.95889	0.6
97.02815	2.7
99.00764	10.3
100.01027	0.4
101.02323	50.8
102.02644	1.4
103.03833	0.4
107.01348	0.4
107.04910	0.8
108.02066	1.4
109.02854	3.9
110.03172	0.4
111.00770	3.4
113.02332	25.6
114.02684	0.7
115.03918	0.4
117.03345	2.3
119.03408	3.4
119.04903	1.5
121.02837	1.4
122.03626	0.9
123.00801	2.3
123.04412	6.6
124.01534	0.7
124.04758	0.5
125.02345	4.2
129.01817	1.7
131.03383	3.4
133.02850	3.5
134.03642	19.4
135.04428	20.3
136.01569	1.1
136.04745	1.0
137.02347	10.0
137.05937	1.1
139.03926	1.8
143.03394	4.0
145.02866	7.5
146.03177	0.4
148.01566	0.7
148.05261	0.8
149.02335	1.1
149.04477	3.2
149.05983	5.2
150.03127	0.9
151.00269	1.0
151.03888	1.9
152.01059	1.4
153.01837	6.4
153.05475	4.5
154.02306	0.4
157.08615	0.6
159.02895	4.4
160.01573	0.7
160.03038	0.3
161.02478	5.8
161.04463	39.0
162.02980	0.7
162.04843	1.1
163.03896	2.8
163.07544	0.5
164.04651	1.1
165.01796	0.7
165.05463	0.6
166.02586	0.8
166.06247	0.4
167.03424	6.8
168.03789	0.6
175.00288	0.6
175.03922	1.4
177.01823	0.6
178.01382	0.4
178.02650	10.2
179.03424	25.6
179.06960	1.0
180.03780	1.4
181.04994	1.1
181.08658	0.8
188.25070	0.4
190.02641	1.7
191.03441	0.5
191.05536	1.0
192.04245	2.7
193.04987	20.9
194.05347	1.4
195.02988	0.5
195.06459	0.6
195.86934	0.4
197.04494	0.5
197.08157	0.5
205.03407	1.7
205.05142	1.8
207.06577	1.3
209.04498	1.7
211.17004	0.4
221.04533	0.6
227.03517	0.4
233.04593	0.4
233.06721	1.5
239.05533	4.1
255.02904	0.6
284.03412	0.4
296.05655	0.5
297.06146	8.2
298.06595	0.6
299.07556	0.5
300.02756	0.9
301.03485	0.8
307.08148	0.7
311.07733	10.4
312.08047	0.8
313.16684	0.5
323.07657	1.8
329.08948	0.6
337.09277	0.6
340.09543	0.6
343.11942	1.5
355.11899	1.3
367.10242	0.7
373.22296	100.0
374.22626	12.7
389.25513	1.4
417.21371	1.7
445.24619	0.8
463.25543	0.8
473.11127	0.5
487.16174	0.9
505.17361	6.3
505.26563	36.3
506.14301	1.5
506.26822	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31560	0.3
55.01516	0.4
55.01760	4.3
57.03324	4.0
58.00480	2.1
59.01252	41.5
60.01577	0.5
61.98703	4.5
62.14999	0.3
67.01752	0.6
68.99697	0.6
69.03328	1.4
71.01254	65.7
72.01572	0.9
72.99180	3.2
73.02818	21.6
75.00742	1.3
81.03340	1.1
83.01257	12.5
85.02826	29.5
85.99967	1.6
86.03166	0.8
87.00757	4.3
89.02319	19.1
90.02657	0.6
91.01780	0.8
93.03339	3.6
95.01261	4.6
96.95889	0.6
97.02815	2.7
99.00764	10.3
100.01027	0.4
101.02323	50.8
102.02644	1.4
103.03833	0.4
107.01348	0.4
107.04910	0.8
108.02066	1.4
109.02854	3.9
110.03172	0.4
111.00770	3.4
113.02332	25.6
114.02684	0.7
115.03918	0.4
117.03345	2.3
119.03408	3.4
119.04903	1.5
121.02837	1.4
122.03626	0.9
123.00801	2.3
123.04412	6.6
124.01534	0.7
124.04758	0.5
125.02345	4.2
129.01817	1.7
131.03383	3.4
133.02850	3.5
134.03642	19.4
135.04428	20.3
136.01569	1.1
136.04745	1.0
137.02347	10.0
137.05937	1.1
139.03926	1.8
143.03394	4.0
145.02866	7.5
146.03177	0.4
148.01566	0.7
148.05261	0.8
149.02335	1.1
149.04477	3.2
149.05983	5.2
150.03127	0.9
151.00269	1.0
151.03888	1.9
152.01059	1.4
153.01837	6.4
153.05475	4.5
154.02306	0.4
157.08615	0.6
159.02895	4.4
160.01573	0.7
160.03038	0.3
161.02478	5.8
161.04463	39.0
162.02980	0.7
162.04843	1.1
163.03896	2.8
163.07544	0.5
164.04651	1.1
165.01796	0.7
165.05463	0.6
166.02586	0.8
166.06247	0.4
167.03424	6.8
168.03789	0.6
175.00288	0.6
175.03922	1.4
177.01823	0.6
178.01382	0.4
178.02650	10.2
179.03424	25.6
179.06960	1.0
180.03780	1.4
181.04994	1.1
181.08658	0.8
188.25070	0.4
190.02641	1.7
191.03441	0.5
191.05536	1.0
192.04245	2.7
193.04987	20.9
194.05347	1.4
195.02988	0.5
195.06459	0.6
195.86934	0.4
197.04494	0.5
197.08157	0.5
205.03407	1.7
205.05142	1.8
207.06577	1.3
209.04498	1.7
211.17004	0.4
221.04533	0.6
227.03517	0.4
233.04593	0.4
233.06721	1.5
239.05533	4.1
255.02904	0.6
284.03412	0.4
296.05655	0.5
297.06146	8.2
298.06595	0.6
299.07556	0.5
300.02756	0.9
301.03485	0.8
307.08148	0.7
311.07733	10.4
312.08047	0.8
313.16684	0.5
323.07657	1.8
329.08948	0.6
337.09277	0.6
340.09543	0.6
343.11942	1.5
355.11899	1.3
367.10242	0.7
373.22296	100.0
374.22626	12.7
389.25513	1.4
417.21371	1.7
445.24619	0.8
463.25543	0.8
473.11127	0.5
487.16174	0.9
505.17361	6.3
505.26563	36.3
506.14301	1.5
506.26822	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23190	0.5
55.01757	5.2
57.03328	4.6
58.00452	1.3
59.01255	32.0
61.98716	3.2
69.03331	1.4
71.01259	47.2
71.02335	1.3
72.01598	0.5
72.99183	2.2
73.02824	18.4
74.93871	0.5
75.00723	1.2
79.05394	1.4
81.03347	0.7
83.01264	11.0
84.02028	0.5
85.02830	26.9
85.99969	2.1
87.00777	2.9
87.04407	1.2
89.01895	0.6
89.02333	6.6
95.01269	4.2
95.04912	2.6
97.02836	1.4
97.06476	24.2
99.00763	7.9
101.02328	43.1
102.02656	0.8
111.00772	4.2
113.02335	18.8
113.05980	0.6
114.02695	0.9
119.03396	1.6
125.02302	1.9
129.01846	1.5
131.03401	1.0
135.04364	1.2
137.02338	0.8
141.01854	1.2
143.03387	1.5
151.04001	0.6
159.02905	4.0
160.01538	0.5
161.04474	16.3
178.21118	0.6
179.05579	0.7
191.05557	1.4
205.03522	0.6
227.20172	4.4
325.27371	1.2
343.28506	7.3
373.16629	0.7
389.25467	21.2
390.25916	2.7
427.30750	2.0
445.24829	0.7
445.31689	3.2
469.31717	5.0
470.31903	1.4
475.32764	1.4
487.32825	11.9
488.33063	2.5
505.33871	100.0
506.34183	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98998	0.5
53.69976	0.5
53.85112	0.5
55.01756	5.3
57.03329	4.9
58.00465	1.7
59.01252	32.3
61.98693	0.5
69.03323	0.6
69.25511	3.9
71.01254	68.2
72.01598	1.1
72.99173	2.0
73.02821	19.2
75.00742	0.9
79.63185	0.5
81.03316	0.6
83.01257	9.5
84.02072	0.6
85.02827	29.9
85.99962	1.0
86.03175	0.7
87.00764	3.0
89.02315	11.8
93.06977	4.6
95.01270	5.7
97.02830	1.5
98.20580	1.0
99.00759	10.0
101.02325	41.6
102.02666	0.9
111.00765	3.8
113.02332	26.4
114.02685	1.1
119.03367	3.7
123.72279	0.5
125.02342	1.4
129.01804	1.0
131.03427	0.5
143.03404	2.3
159.02879	5.5
161.04478	22.5
161.05833	1.2
162.04903	0.6
176.11331	0.6
179.05603	0.5
184.75711	0.5
191.05487	0.9
197.15375	1.0
213.18552	2.3
238.02644	0.5
272.04407	0.7
343.28464	3.4
353.98508	0.5
375.23779	7.5
376.24500	1.0
436.72580	0.5
445.31766	0.8
475.32867	1.4
487.33109	0.8
505.33838	100.0
506.34158	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04540	0.2
55.01757	5.5
57.03326	5.0
58.00463	1.8
59.01254	22.5
60.01538	0.3
60.07945	0.3
61.98710	1.0
65.78757	0.3
66.70285	0.2
68.99687	0.3
69.03322	1.1
69.26465	2.2
71.01254	39.5
72.01586	0.7
72.99182	1.5
73.02820	16.2
74.03134	0.5
75.00746	0.8
83.01260	10.4
85.02824	26.2
85.99971	1.6
86.03159	0.4
87.00750	2.7
89.02319	3.1
93.03330	0.3
93.06976	4.7
93.32505	0.3
95.01267	3.8
97.02832	1.1
99.00756	8.0
100.01057	0.3
101.02324	35.7
102.02642	0.9
111.00766	5.8
113.02330	15.1
114.02695	0.3
115.03857	0.3
119.03414	0.4
125.02341	1.6
129.01820	2.0
131.03363	0.6
141.01823	0.9
143.03412	1.8
143.10690	0.9
159.02892	4.3
161.04468	13.4
162.04817	0.3
165.09085	0.3
177.01990	0.3
179.05493	0.5
191.05522	0.7
202.70328	0.3
205.03433	0.5
211.16949	1.2
213.18558	4.5
305.15771	0.3
313.27383	0.6
325.27280	0.3
343.28482	4.7
344.28940	0.5
350.13995	0.3
357.26553	1.6
375.23886	14.0
376.24277	2.1
445.31842	1.5
469.31497	0.6
475.32791	2.1
476.33163	0.4
487.32745	1.1
488.33786	0.4
503.32220	0.9
505.33896	100.0
506.34180	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	0.5
59.01254	13.5
59.26247	0.6
60.50897	0.5
61.61927	0.5
61.95901	0.5
61.98698	0.7
70.02557	2.1
71.01265	2.7
71.74407	0.5
72.99181	1.0
73.02820	1.6
85.02811	0.7
89.02312	2.0
93.70834	0.6
101.02325	3.7
103.03885	2.1
108.02064	2.7
119.03406	1.4
123.03145	6.6
125.02320	2.7
138.00787	1.1
138.01886	32.8
138.05508	100.0
139.02222	1.5
139.05843	4.0
145.04990	0.6
163.06055	2.4
179.07072	0.7
307.10355	2.7
327.08698	0.7
345.09869	3.2
446.16705	38.1
447.16940	4.5
498.61954	0.5
507.14328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.8
65.13872	1.7
73.02827	2.0
75.00756	6.6
87.00764	27.1
90.20285	1.8
100.69382	1.9
101.02333	2.0
105.01815	26.7
119.03524	1.8
121.45364	1.8
123.04450	2.5
123.55438	2.1
147.02913	3.7
165.03976	100.0
166.01711	3.2
166.04323	5.9
191.05574	2.7
196.88110	2.0
215.16486	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	507.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.8
57.03316	1.1
59.01251	11.6
59.16537	0.3
61.09174	0.4
61.98705	2.5
70.69344	0.8
71.01259	10.6
72.99182	0.5
73.02824	2.1
79.13857	0.4
82.62571	0.5
83.01279	1.8
85.02822	4.8
86.99910	0.4
87.00758	1.3
89.02331	2.9
89.03851	0.4
91.82989	0.4
95.01292	1.1
96.95879	0.5
98.00684	0.4
99.00764	1.3
101.02328	6.8
101.79397	0.4
105.03340	0.7
109.02787	0.4
113.02348	3.7
117.03317	1.0
119.03380	1.0
121.02863	0.6
123.04436	0.7
124.93261	0.4
125.02342	1.7
129.01755	0.4
131.03448	0.4
132.02074	20.2
133.02917	3.2
134.03644	19.8
135.04362	0.8
137.02339	1.2
139.03972	0.5
147.04369	0.5
149.02321	0.5
149.05998	2.7
151.03912	0.6
151.07457	0.5
154.01407	0.4
159.02954	0.9
160.01575	95.5
161.01930	5.1
161.04442	2.5
161.52283	0.4
175.03926	100.0
176.04265	6.1
177.01962	0.5
178.02600	1.1
179.03401	1.2
179.05586	0.5
182.05711	1.1
193.04996	24.5
194.05309	1.3
195.92059	0.3
196.83690	0.3
197.08156	1.0
203.98672	0.4
235.06062	1.0
289.07169	0.8
311.22400	0.4
337.09363	0.7
345.30118	2.1
400.12637	0.4
447.25967	1.6
489.21127	0.7
492.19891	0.8
507.22369	68.7
507.35150	6.7
508.22617	11.5
508.35150	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10043	0.9
55.01760	2.9
57.03313	2.0
58.00470	1.5
58.38800	0.9
59.01254	59.0
61.98703	6.7
69.03317	1.6
69.35321	3.4
69.35735	5.1
71.01258	45.1
72.99181	2.7
73.02448	1.1
73.02824	13.7
81.20527	1.1
83.01255	8.0
85.02825	21.4
87.00718	1.6
89.02317	16.3
91.85404	1.0
95.01254	2.5
97.02858	1.5
97.86777	1.0
99.00771	5.9
101.02331	38.4
101.03003	1.9
102.02656	1.0
111.00756	1.9
113.02331	20.3
119.03438	1.6
125.02333	2.2
129.01831	1.0
131.03397	24.8
143.03389	3.7
149.04451	1.9
159.02878	3.9
161.04482	21.9
162.04834	1.2
211.66573	1.0
306.71161	1.0
315.18118	71.8
316.18436	7.8
427.49066	1.2
447.22342	100.0
448.17123	1.8
448.22647	13.8
454.88052	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.2
59.75578	0.2
70.14272	0.7
72.64126	0.2
78.95782	10.0
96.96851	1.0
98.19865	0.3
127.21777	0.3
152.99500	16.9
153.99809	0.5
171.00613	1.3
173.86234	0.2
227.03188	2.3
244.18329	0.3
245.04318	1.7
261.22043	0.4
278.79276	0.2
279.23288	100.0
280.23627	10.8
282.25183	0.5
335.32910	0.3
507.27258	25.5
508.27563	5.0
508.34354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.2
57.03318	1.0
58.00463	1.3
59.01256	64.1
60.01579	1.2
61.98708	8.6
65.85293	0.5
67.96130	0.5
68.21267	0.7
69.34953	4.9
71.01256	23.6
72.99185	1.3
73.02815	3.8
77.04542	0.6
78.95775	1.1
83.01269	2.2
85.02836	8.0
87.00726	1.2
89.02323	16.1
93.31676	0.7
95.01258	1.1
99.00753	1.2
101.02329	16.0
101.19328	0.5
109.06469	0.9
111.36390	0.5
113.02338	9.4
119.03395	7.2
124.01523	0.6
125.02363	0.7
138.16270	0.7
139.11218	1.0
141.12746	18.0
142.13087	1.2
143.03397	1.3
149.04445	0.8
151.03891	0.7
154.01314	0.7
155.14226	0.8
159.02872	0.8
160.01575	1.1
161.04506	5.0
164.04538	0.7
167.14291	1.7
171.10207	0.7
171.13818	1.8
175.03922	1.4
179.05504	2.4
179.06960	0.7
205.19539	6.0
206.19780	0.7
221.19026	3.3
223.20677	1.9
250.39555	0.5
267.19669	11.1
268.20050	0.6
281.84674	0.6
285.20706	2.0
307.69058	0.7
311.22342	1.5
327.01440	0.6
345.20883	0.8
447.25995	100.0
448.26346	14.4
507.35599	3.0
508.27295	1.7
508.36011	0.7
513.00031	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43690	0.6
55.01762	5.2
57.03324	9.9
58.00458	1.7
59.01251	84.5
60.01606	0.8
61.98713	3.7
62.28319	0.8
69.03340	1.3
69.25906	3.5
69.26347	2.7
71.01254	69.2
72.01591	2.5
72.99186	3.2
73.02820	16.7
75.00747	1.8
78.95776	5.7
80.04524	0.7
83.01264	9.9
84.02059	0.8
85.02822	30.2
87.00766	2.7
89.02317	20.4
93.03321	0.8
93.07011	0.9
95.01273	5.3
97.02820	1.3
99.00756	7.1
101.02325	40.6
102.02703	2.4
109.02831	1.1
111.00792	3.0
113.02332	25.1
114.02676	1.5
119.03394	7.6
121.02843	4.4
123.04417	2.2
124.01534	4.5
125.02322	3.5
129.01804	1.1
132.02075	1.3
137.02380	1.6
139.03909	9.5
140.01085	2.2
143.03400	2.5
146.96358	0.8
149.04486	0.8
151.03920	2.0
152.99503	1.3
153.01865	4.5
159.02878	3.7
160.01628	2.5
161.04468	18.3
162.04845	1.2
165.01720	0.9
175.03951	3.2
177.01941	1.2
179.05521	1.3
179.07033	11.4
179.10857	0.7
196.03737	0.8
203.49336	0.7
223.20706	0.9
267.19641	11.4
275.16660	1.4
285.04129	0.7
289.07297	1.3
293.17563	3.9
299.25793	1.2
311.18686	2.8
318.65405	0.7
345.30081	7.5
359.28210	1.3
433.83301	0.7
447.25961	31.7
448.26340	5.1
507.22568	2.5
507.35428	100.0
508.23349	11.4
508.35712	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	507.354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52794	0.2
55.01760	4.4
56.81554	0.2
57.03326	5.0
58.00461	1.0
59.01254	18.6
60.01587	0.4
61.98698	1.5
65.78699	0.2
68.99692	0.3
69.03327	1.0
69.25948	2.2
71.01256	34.8
71.04893	0.2
72.01579	0.6
72.99179	2.0
73.02821	13.3
75.00749	1.0
81.03332	0.4
83.01259	8.4
85.02824	23.0
85.99973	0.9
86.03185	0.6
87.00755	2.3
89.02314	3.1
93.03319	0.4
95.01263	3.0
96.95811	0.2
97.02835	1.3
98.20602	0.5
99.00763	6.0
99.08021	0.4
101.02325	31.8
102.02659	1.0
107.99120	0.2
109.02840	0.9
109.47493	0.2
111.00766	4.6
113.02335	14.6
114.02677	0.3
117.03372	0.3
119.03407	0.6
121.02874	0.4
123.04407	1.0
124.01534	1.0
124.04768	0.2
125.02343	3.0
129.01836	1.6
131.03415	0.5
132.02084	0.4
134.03670	0.4
135.04453	0.3
136.01570	0.9
137.02341	0.7
139.03912	2.1
141.01834	0.5
143.03430	1.4
143.10681	1.2
145.02895	0.3
149.02364	0.5
149.04564	0.3
149.06018	0.2
151.03922	2.3
152.04318	0.3
153.01909	0.3
153.05499	0.5
155.10692	0.3
155.14354	0.3
159.02896	3.6
160.01573	1.7
160.02757	0.2
161.02322	0.8
161.04465	9.8
161.05826	0.5
162.04800	0.6
163.00246	0.2
175.03934	1.9
184.12871	0.2
191.01880	0.5
193.04971	0.3
197.15373	0.8
201.05544	0.3
203.07199	0.2
205.03474	0.3
219.06960	0.2
229.08612	0.5
238.63148	0.2
245.08159	0.4
246.43083	0.2
256.78589	0.2
281.24905	0.3
283.22693	0.5
289.07263	1.5
299.25818	2.2
299.28397	0.2
300.26230	0.3
345.26431	0.9
345.30084	9.0
346.26962	0.3
346.30383	1.4
359.27969	1.6
360.28183	0.3
387.30966	0.3
507.35519	100.0
508.35861	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	507.369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
69.67798	6.9
69.71590	1.0
73.88103	1.1
77.55280	1.0
78.95764	3.8
95.60352	1.2
96.95895	1.9
141.58580	1.0
152.99503	4.3
189.68932	1.1
227.03238	1.6
251.00572	1.2
279.23309	38.2
280.23557	4.1
353.88766	1.1
362.46402	1.1
507.26990	7.0
507.33582	1.4
524.61981	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	508.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33646	0.3
59.01247	4.8
60.01610	0.3
61.98705	100.0
69.41536	1.0
69.41965	1.1
71.01249	2.3
72.01573	0.3
73.02840	0.4
85.02849	0.8
86.28547	0.3
89.02317	2.0
90.02676	0.5
91.67800	0.3
98.19786	0.4
99.00780	0.5
101.02317	1.9
102.02636	0.5
113.02361	0.6
125.02319	0.5
131.03406	1.1
132.03720	0.3
137.06046	0.3
145.02904	0.4
149.04482	1.1
149.05923	0.3
161.02409	0.6
161.04446	0.6
181.05016	0.5
289.07700	0.3
305.30469	0.3
315.18192	0.7
316.18405	1.4
448.22272	2.1
449.23929	0.9
508.23105	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62850	0.2
59.01254	1.9
59.23102	0.2
60.01579	0.3
61.98704	100.0
62.99099	0.2
70.98030	0.2
71.01268	0.9
73.02840	0.3
76.70879	0.2
89.02316	0.9
97.36304	0.2
101.02366	0.3
104.61689	0.2
119.03388	0.2
125.02351	0.3
131.03461	0.3
146.88905	0.2
283.48193	0.2
285.05634	0.2
316.18576	0.3
355.96460	0.2
508.32495	0.2
509.21988	0.3
510.49670	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93512	0.5
55.01768	0.7
57.03315	1.0
58.00478	0.6
59.01252	15.3
60.01589	0.9
61.01646	0.6
61.98704	100.0
64.30300	0.5
67.01785	0.7
69.03310	0.5
69.35555	3.6
69.56886	0.4
71.01254	11.1
72.01599	1.0
72.99196	1.0
73.02816	4.3
75.00729	0.6
81.03359	0.8
83.01273	2.6
85.02826	6.5
87.00768	0.9
89.02317	2.3
91.01788	1.0
93.03365	1.9
95.01278	1.8
95.23219	0.4
96.99171	0.5
97.02846	1.1
99.00771	1.4
101.02328	9.4
101.05994	1.0
102.02684	1.4
107.01296	1.6
107.96120	0.4
108.02046	0.6
109.02840	20.4
110.03204	0.7
111.00776	2.0
113.02341	4.7
113.46603	0.5
114.02724	0.8
117.03362	1.4
119.03480	0.9
119.04925	1.2
121.02897	0.6
123.00785	2.6
123.04398	5.0
124.01554	1.4
125.02359	2.1
131.03397	3.5
132.03732	0.9
133.02843	1.4
133.03821	1.2
135.00763	2.5
135.04422	2.2
136.04758	0.6
137.02347	4.4
137.05989	0.6
143.03430	0.7
145.02876	4.2
147.04471	0.6
149.02356	1.1
150.03088	0.5
152.01059	2.9
153.01840	35.7
153.05466	6.0
154.02290	1.1
160.01529	0.7
161.02351	3.9
161.04454	2.7
162.04819	1.1
163.03896	1.9
163.05072	0.7
165.05443	1.6
166.06284	0.4
175.03943	1.3
177.01846	0.6
178.47363	0.4
179.03433	2.1
179.07141	0.7
180.03824	0.5
181.05035	2.9
181.08678	0.8
195.02985	2.2
195.64018	0.4
201.22415	0.5
227.07103	0.6
239.05376	0.6
255.05154	1.3
273.18771	0.5
291.09988	0.5
301.03458	0.5
315.18097	6.2
316.18423	5.9
317.18674	9.3
318.19046	0.6
344.58899	0.5
346.78946	0.5
347.28232	0.5
363.16684	2.1
447.09549	1.1
447.22226	1.2
448.22824	1.8
449.22891	8.5
449.28650	0.7
450.23264	0.7
463.21478	0.5
509.24057	90.5
510.24329	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	509.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75386	0.5
55.01736	0.7
57.03312	1.1
58.00486	0.7
59.01251	9.5
61.98698	1.5
68.99691	1.0
69.38893	1.8
69.39323	1.6
71.01256	10.5
72.99171	0.6
73.02824	3.5
75.00742	0.7
83.01248	1.8
85.02826	5.5
87.00736	1.0
89.02315	3.9
93.03338	32.4
94.03676	1.1
95.01284	1.8
96.99209	0.7
99.00762	1.2
101.02330	8.5
108.02065	1.5
109.02847	0.6
113.02336	4.6
117.03347	0.5
119.03575	0.5
119.04919	14.4
119.05730	0.9
120.05251	0.6
121.02836	2.0
123.04415	6.6
125.02328	0.7
129.20763	0.5
133.02864	1.7
135.04419	1.4
136.01578	2.8
137.02348	82.9
138.02599	2.8
145.02890	2.1
149.04465	1.7
149.05933	0.4
153.05505	0.9
153.09004	0.5
155.10721	0.9
161.02376	4.1
161.04457	0.8
163.03920	13.4
163.07611	0.6
164.04257	1.0
165.01877	0.5
165.77255	0.5
168.04184	1.2
175.04008	0.5
176.37802	0.5
179.03444	2.4
181.05045	0.7
190.02585	0.6
191.03383	0.5
191.05548	0.5
221.04617	1.1
233.37605	0.6
248.91853	0.5
281.06778	1.0
300.02588	0.8
421.19055	0.8
447.09555	0.9
509.24051	100.0
510.24445	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	509.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	3.3
57.03324	4.6
58.00460	0.8
59.01256	35.1
60.01605	1.0
61.98707	14.1
70.45930	2.3
71.01258	41.3
72.01602	1.1
72.99184	2.1
73.02821	17.0
79.19899	0.8
80.96390	1.3
83.01257	11.2
85.02825	19.5
85.99976	1.4
86.03171	0.9
87.00752	2.8
87.04395	41.1
89.02323	7.8
94.91575	0.7
95.01273	2.9
97.02838	2.2
99.00755	7.6
101.02327	40.5
102.02641	1.6
106.85676	0.8
109.02844	0.8
111.00743	2.2
113.02328	14.8
119.03387	1.5
123.04436	1.2
125.02320	3.4
129.01837	1.3
131.03387	2.0
132.22723	0.7
137.02351	1.1
139.03885	2.3
143.03349	1.9
149.04442	1.6
151.03918	2.1
153.05464	0.8
153.14803	0.7
159.02917	2.5
160.01591	0.9
161.02399	1.1
161.04466	13.6
161.05800	0.9
162.04807	0.8
167.03387	1.1
171.10133	0.9
175.03943	2.2
179.06964	0.9
192.41635	0.7
225.14990	1.1
249.26921	0.8
301.03461	0.9
317.19696	100.0
318.19974	9.6
341.23434	5.0
361.18671	1.1
377.21783	2.5
377.25937	1.6
421.20810	1.5
447.09271	1.1
449.23926	43.9
450.24249	6.3
508.35873	1.3
509.17038	1.8
509.25687	10.1
509.36649	4.4
510.26031	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	509.2885
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
60.56918	0.3
62.42098	0.3
78.95775	21.1
96.96848	1.5
99.96953	0.4
100.05984	0.4
107.02513	0.3
107.52908	0.4
130.00774	0.4
152.99487	31.6
171.00513	1.2
227.03221	4.2
245.04277	1.6
262.93976	0.4
281.24854	100.0
282.25204	12.0
417.24359	0.5
423.93649	0.4
509.28824	51.6
510.29196	8.9
539.15338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.9
57.03316	1.2
58.00465	0.7
59.01254	24.9
61.98706	13.3
62.62963	0.4
63.02278	0.5
64.48698	0.5
69.03326	1.0
70.06059	0.6
70.06408	2.0
70.45197	0.5
71.01258	14.7
72.99184	1.6
73.02825	5.7
75.00752	1.8
80.61646	0.6
80.91546	2.7
81.03362	0.9
83.01264	2.3
85.02834	6.5
87.00761	2.9
89.02319	7.4
93.03342	1.0
95.01262	1.9
95.99923	0.5
97.02822	0.9
99.00788	1.1
99.04402	0.8
101.01685	1.1
101.02320	11.5
101.06001	1.1
108.02100	0.7
109.02819	1.6
111.00775	1.4
113.02338	6.1
116.96760	0.6
117.03378	1.8
119.03407	1.4
119.04904	4.5
120.99548	0.6
121.02837	1.7
122.98981	3.4
123.00790	1.3
123.04414	8.6
124.01535	1.7
125.02383	2.7
125.09634	1.0
126.02728	0.6
127.11166	1.9
131.03342	0.7
131.26210	0.5
132.95718	0.5
133.02873	5.6
134.03554	0.8
135.04401	2.2
137.02325	1.7
139.00243	0.6
139.03889	1.1
141.00977	0.7
145.02859	6.0
149.02312	1.1
149.99501	0.6
151.00255	0.8
151.04056	0.7
153.01822	1.4
153.05472	1.9
155.10680	1.3
155.48834	0.6
159.02954	0.7
160.01579	0.8
161.02374	19.0
161.04475	2.2
162.02702	0.9
163.03903	4.2
164.04610	0.8
165.01878	0.5
165.05513	1.0
167.03391	1.1
168.00591	1.1
171.10188	1.9
175.00238	0.9
175.03973	1.3
176.00874	0.6
177.01872	1.0
179.03439	2.7
179.05519	0.9
181.04942	0.6
183.02983	0.6
188.84993	0.5
190.02583	1.0
191.03427	0.7
193.05054	0.5
199.13324	2.1
201.11301	4.9
205.05013	1.5
215.12814	3.3
255.03001	1.2
258.03537	3.5
259.04282	1.9
271.02448	1.6
287.22192	0.9
289.06989	0.6
289.47321	0.5
300.02661	4.3
301.03516	2.4
311.22290	0.8
329.23270	4.9
330.23529	0.6
347.24408	19.4
348.24673	1.8
421.09601	4.0
447.09396	4.8
449.27646	6.6
450.27936	0.9
491.28662	4.8
492.29041	0.7
509.13071	2.0
509.20493	17.5
509.29587	100.0
510.20920	2.6
510.29953	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	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	12.5
61.98705	100.0
63.36301	2.5
65.70972	2.5
67.26272	2.5
71.01247	8.4
73.98229	2.6
76.03365	2.5
89.02309	3.3
89.85301	2.3
92.43800	2.7
99.00758	3.3
101.02333	4.3
113.02339	4.6
120.99499	4.3
123.04421	6.7
125.02294	3.6
134.03621	3.8
137.02298	4.7
139.03908	3.0
145.02863	4.5
151.00209	3.9
160.01630	5.0
161.02353	12.3
162.02696	3.7
167.03352	9.0
175.03851	11.7
177.01807	3.1
193.05058	4.5
201.20883	2.6
219.49002	3.0
219.51060	2.6
227.03444	23.7
228.03752	2.7
235.05968	4.3
255.02998	35.2
255.05681	3.3
255.06651	2.9
256.03403	5.8
267.60156	2.7
284.03275	49.5
285.04022	14.4
316.29269	2.7
335.13248	3.6
447.09259	91.1
448.09509	6.4
509.33133	3.9
511.18048	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	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53802	1.1
61.98702	17.6
65.00194	1.6
72.29877	1.1
81.96487	1.1
82.19269	1.1
83.01241	1.1
107.01305	2.9
108.01991	1.5
109.02851	2.8
121.02847	3.6
126.20187	1.1
144.71025	1.1
151.00284	12.6
152.00615	1.7
160.01158	1.1
161.02339	1.6
163.00307	2.6
178.99768	6.2
227.03496	4.3
229.05128	1.3
243.02907	7.8
245.04419	1.6
254.02232	1.5
255.02945	21.4
255.05482	1.7
256.03265	3.4
271.02457	46.3
272.02942	5.1
279.64267	1.2
281.46646	1.3
283.02390	1.4
299.01913	2.0
300.02744	71.7
301.03473	61.3
301.06964	2.6
302.03873	4.9
331.08276	1.2
356.49310	1.1
447.09320	100.0
448.09653	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	510.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26892	0.1
59.01250	0.4
61.98705	100.0
62.98404	0.2
69.47790	0.2
69.48203	0.5
101.02359	0.1
118.96552	0.1
125.02303	0.1
179.07545	0.1
181.04803	0.1
209.11896	0.1
300.02826	0.2
327.74719	0.1
393.42123	0.1
425.75522	0.1
447.09344	0.1
453.41107	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	510.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26136	0.1
59.01246	0.6
61.98705	100.0
62.98413	0.3
69.88831	0.2
69.89226	0.4
71.01271	0.2
81.06525	0.1
81.70123	0.2
83.04905	0.3
89.02325	0.2
91.19228	0.1
95.04928	0.1
98.19864	0.2
108.02185	0.1
119.91791	0.2
120.91138	0.2
122.76260	0.1
131.56911	0.1
138.01819	0.1
163.11165	0.2
165.12683	0.2
171.10165	1.6
208.96417	0.2
209.11780	5.3
221.11760	0.2
227.12921	0.4
247.13469	0.5
265.14487	0.1
300.02969	0.2
401.23322	0.1
447.09241	0.3
449.25525	0.3
475.27011	0.3
511.29135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89889	0.1
59.01249	1.3
61.98702	100.0
69.21341	1.1
71.01253	0.4
81.20042	0.1
81.24986	0.1
89.02327	0.2
99.10556	0.1
101.02374	0.2
113.02382	0.2
123.04401	0.2
163.03990	0.1
171.10226	0.5
209.11807	1.5
227.12868	0.2
247.13499	0.2
256.24658	0.1
300.02771	0.2
301.03543	0.2
447.09467	0.3
510.35455	0.2
511.36789	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.3
57.03339	0.6
59.01256	6.5
61.98705	100.0
67.66109	0.3
67.90941	0.3
69.84645	1.3
71.01253	5.1
72.99197	0.3
73.02815	1.8
83.01260	1.3
85.02836	1.9
87.00767	0.4
89.02335	2.5
97.02870	0.3
99.00774	0.8
101.02331	4.5
101.05952	0.3
103.97522	0.3
111.00795	0.4
113.02343	1.7
123.04444	0.5
125.02341	0.7
130.61565	0.2
131.03387	1.5
147.89735	0.3
149.04491	1.1
161.04498	1.0
180.95598	0.3
233.06667	0.4
271.02563	0.3
299.23999	0.4
300.02808	0.6
313.25354	0.3
319.21228	4.1
447.09579	0.8
449.32977	0.8
451.25430	13.3
473.93823	0.3
511.25739	0.5
511.33240	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	510.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.4
60.01585	0.5
61.98706	100.0
62.98384	0.4
67.87650	0.3
69.99030	0.4
70.28413	0.3
71.01263	2.4
71.54707	0.4
72.01609	0.4
73.02824	0.9
75.00748	1.0
78.95792	0.5
83.01270	0.3
85.02834	1.0
87.54982	0.3
87.66867	0.3
89.02338	0.6
95.01259	0.4
99.00773	0.5
101.02332	1.1
108.02122	0.3
109.02836	0.4
113.02366	1.1
119.03411	0.3
121.02901	0.5
123.04470	0.6
125.02349	0.5
131.03339	0.4
133.55948	0.4
135.04456	0.5
137.02408	1.2
145.02931	0.3
153.05531	0.4
161.02348	0.5
161.04494	0.5
165.01921	0.4
179.03386	0.3
183.02957	0.5
252.77684	0.3
271.02319	0.3
300.02921	0.4
301.03577	0.4
386.92035	0.3
447.09512	0.8
450.26956	0.4
509.36261	0.6
510.24319	0.8
510.36539	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	511.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08887	0.8
54.85073	0.8
59.01254	49.5
61.98705	2.0
65.00190	2.9
68.99680	0.9
69.03335	0.7
69.36968	4.4
71.01256	3.7
75.00732	0.8
81.03333	2.6
83.01266	1.8
83.04902	11.6
85.02826	1.4
88.98666	1.2
89.02294	1.2
93.03326	1.3
95.01267	2.1
98.20667	0.6
99.00737	1.5
101.02312	1.8
103.05437	0.6
107.01255	1.2
109.02818	4.1
111.00779	2.3
113.02358	1.9
119.01321	0.7
121.02849	2.5
122.03651	1.6
123.00764	3.3
123.04416	3.3
124.01554	2.3
124.07980	0.6
124.98737	0.7
125.02351	5.4
125.07073	1.9
127.00289	1.7
133.02878	1.8
135.00768	0.8
136.98782	1.0
137.02341	2.4
139.00241	5.2
139.07594	0.6
141.01839	1.3
143.04955	0.7
145.02911	1.4
147.04385	1.6
148.01613	0.8
149.02298	0.9
149.99472	2.2
151.00252	4.5
152.01027	1.3
153.01816	1.0
153.05502	1.0
154.99767	4.6
161.02330	3.0
161.04491	1.1
163.00272	1.3
163.03885	0.8
164.98184	1.6
165.01863	1.6
165.98929	1.1
166.99800	4.8
167.03467	1.1
168.00615	4.3
169.01262	1.4
173.02284	1.0
175.03900	2.3
177.01822	2.6
177.05399	0.7
178.99748	3.5
179.03429	0.8
181.01295	3.2
182.02058	0.9
184.00110	0.9
185.02344	1.1
187.03905	2.0
189.01907	1.9
189.41969	0.6
191.03452	0.8
192.00508	1.1
193.01305	2.2
193.05017	0.7
194.99306	2.7
201.01895	0.9
203.03424	2.8
205.01424	2.1
207.02837	1.1
207.15047	1.8
209.00859	1.7
213.01913	1.2
215.03458	1.9
217.01349	1.7
219.02913	1.1
224.17673	1.9
225.16061	7.9
227.03647	0.8
231.02946	2.6
233.04471	1.0
241.01311	1.0
243.02991	2.8
244.03366	0.7
245.00859	1.2
247.02539	1.0
257.00677	1.0
259.02496	5.6
260.02792	1.0
261.03976	1.9
269.00879	1.0
271.02386	1.8
274.01184	0.7
275.01910	2.1
285.00464	1.0
287.01944	10.1
288.02347	1.1
299.01794	0.9
300.02646	1.7
301.03387	1.6
303.01361	3.7
304.02060	1.2
305.02899	2.1
312.99771	2.0
313.03632	0.8
315.01520	4.5
317.03223	1.0
319.17599	0.8
331.00952	8.6
332.01410	1.1
333.23093	2.3
343.06805	0.8
347.81796	0.7
349.01981	2.3
350.02039	0.7
351.23892	1.3
355.06580	1.3
367.27222	1.2
375.05618	3.9
433.31760	4.8
437.07455	1.0
441.06247	0.8
451.32904	100.0
452.32925	1.6
463.08960	1.7
467.08636	0.9
478.07596	1.2
479.08200	1.0
493.06223	2.4
511.10645	7.6
511.18481	0.9
512.07959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08887	0.8
54.85073	0.8
59.01254	49.5
61.98705	2.0
65.00190	2.9
68.99680	0.9
69.03335	0.7
69.36968	4.4
71.01256	3.7
75.00732	0.8
81.03333	2.6
83.01266	1.8
83.04902	11.6
85.02826	1.4
88.98666	1.2
89.02294	1.2
93.03326	1.3
95.01267	2.1
98.20667	0.6
99.00737	1.5
101.02312	1.8
103.05437	0.6
107.01255	1.2
109.02818	4.1
111.00779	2.3
113.02358	1.9
119.01321	0.7
121.02849	2.5
122.03651	1.6
123.00764	3.3
123.04416	3.3
124.01554	2.3
124.07980	0.6
124.98737	0.7
125.02351	5.4
125.07073	1.9
127.00289	1.7
133.02878	1.8
135.00768	0.8
136.98782	1.0
137.02341	2.4
139.00241	5.2
139.07594	0.6
141.01839	1.3
143.04955	0.7
145.02911	1.4
147.04385	1.6
148.01613	0.8
149.02298	0.9
149.99472	2.2
151.00252	4.5
152.01027	1.3
153.01816	1.0
153.05502	1.0
154.99767	4.6
161.02330	3.0
161.04491	1.1
163.00272	1.3
163.03885	0.8
164.98184	1.6
165.01863	1.6
165.98929	1.1
166.99800	4.8
167.03467	1.1
168.00615	4.3
169.01262	1.4
173.02284	1.0
175.03900	2.3
177.01822	2.6
177.05399	0.7
178.99748	3.5
179.03429	0.8
181.01295	3.2
182.02058	0.9
184.00110	0.9
185.02344	1.1
187.03905	2.0
189.01907	1.9
189.41969	0.6
191.03452	0.8
192.00508	1.1
193.01305	2.2
193.05017	0.7
194.99306	2.7
201.01895	0.9
203.03424	2.8
205.01424	2.1
207.02837	1.1
207.15047	1.8
209.00859	1.7
213.01913	1.2
215.03458	1.9
217.01349	1.7
219.02913	1.1
224.17673	1.9
225.16061	7.9
227.03647	0.8
231.02946	2.6
233.04471	1.0
241.01311	1.0
243.02991	2.8
244.03366	0.7
245.00859	1.2
247.02539	1.0
257.00677	1.0
259.02496	5.6
260.02792	1.0
261.03976	1.9
269.00879	1.0
271.02386	1.8
274.01184	0.7
275.01910	2.1
285.00464	1.0
287.01944	10.1
288.02347	1.1
299.01794	0.9
300.02646	1.7
301.03387	1.6
303.01361	3.7
304.02060	1.2
305.02899	2.1
312.99771	2.0
313.03632	0.8
315.01520	4.5
317.03223	1.0
319.17599	0.8
331.00952	8.6
332.01410	1.1
333.23093	2.3
343.06805	0.8
347.81796	0.7
349.01981	2.3
350.02039	0.7
351.23892	1.3
355.06580	1.3
367.27222	1.2
375.05618	3.9
433.31760	4.8
437.07455	1.0
441.06247	0.8
451.32904	100.0
452.32925	1.6
463.08960	1.7
467.08636	0.9
478.07596	1.2
479.08200	1.0
493.06223	2.4
511.10645	7.6
511.18481	0.9
512.07959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.8
58.24017	0.6
59.01247	4.2
61.98703	31.6
62.97613	0.5
63.99135	0.6
65.00215	0.6
67.20515	0.5
71.01264	4.3
73.02858	0.6
75.00773	0.7
78.98489	0.6
79.95631	1.0
80.96391	8.5
81.03324	5.0
81.14914	0.5
83.01236	3.0
85.02840	2.4
87.00771	0.6
88.17443	0.5
89.02329	0.9
90.56578	0.6
93.03346	1.3
94.97983	2.5
95.01278	0.6
95.04899	0.9
97.02814	0.7
99.00766	0.6
101.02358	2.1
107.01296	0.8
107.04938	0.6
107.73516	0.5
109.02865	1.9
113.02357	1.0
117.03365	1.3
119.04922	28.1
120.05259	1.3
121.02854	1.2
122.03693	0.5
122.97501	0.7
123.04413	37.4
124.04766	1.2
125.02349	5.6
133.02875	0.7
134.97447	0.8
135.04413	1.5
137.02339	1.9
138.03165	0.8
139.03893	1.4
145.02827	4.7
148.99080	0.7
149.02374	1.8
151.00261	1.5
151.03931	0.9
152.98485	1.3
153.01845	1.4
153.05505	3.1
160.01611	0.8
161.02354	2.1
163.03923	32.8
164.04285	1.9
164.98553	1.3
165.01976	0.6
165.05429	0.6
167.03413	100.0
168.03778	6.2
175.00273	1.3
179.03391	1.5
179.07007	0.5
181.05032	3.5
183.06577	1.1
190.02605	1.8
191.03435	19.5
192.03717	1.4
193.04906	0.6
205.04997	1.8
209.04524	7.1
221.04514	1.5
225.00632	2.2
229.04979	1.1
291.22791	0.6
294.75458	0.6
325.09131	1.8
349.16400	1.1
417.16376	0.6
451.15805	1.7
459.55774	0.5
468.95117	0.6
493.16928	1.3
511.18161	19.8
511.25015	3.1
512.18671	2.8
512.25720	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.2
60.77611	2.0
61.98691	2.1
63.08469	2.4
68.33565	2.2
82.00452	2.2
108.56716	3.0
115.47323	2.1
125.44179	2.3
135.04425	19.9
147.04416	3.2
159.04256	2.5
173.06055	5.9
174.06828	7.3
175.07602	4.7
178.06267	3.1
188.08363	100.0
189.08774	9.6
203.10728	34.4
242.12955	3.3
257.15259	14.7
258.16226	36.2
259.16458	3.7
273.18643	27.8
408.23047	59.1
409.23492	10.5
423.25372	30.9
424.25647	5.4
467.28162	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	511.27
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90257	0.8
94.43797	0.8
98.20546	2.3
125.02314	1.2
137.02333	4.5
137.32991	0.9
138.02869	0.8
139.03882	2.8
141.04221	0.9
151.03896	1.4
157.06470	0.9
162.03189	4.9
170.07256	2.6
171.08087	2.9
175.03918	1.1
185.09566	2.7
187.07541	0.9
199.04028	1.3
200.04681	1.7
201.05415	1.6
202.06262	2.4
213.05554	3.1
215.07094	40.1
216.07748	9.3
229.08714	1.4
241.08632	0.8
248.06795	1.2
258.16232	2.2
264.22549	0.8
269.11813	2.3
273.18631	1.5
284.14169	36.0
285.14572	4.4
299.16528	100.0
300.16885	12.8
511.41379	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	511.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41004	3.0
65.35149	3.0
70.10659	12.1
98.19814	3.4
129.43237	3.3
135.04414	13.7
147.65050	2.9
155.65472	2.8
160.05327	3.4
162.03021	3.0
164.93201	2.8
170.07372	3.3
171.08142	4.6
174.06787	6.6
201.05482	3.2
215.07059	28.5
216.07727	10.2
248.61395	2.9
251.23917	3.0
258.16260	30.2
273.18610	18.6
284.14221	31.5
285.14569	4.4
299.16510	100.0
300.16849	11.3
448.10846	3.3
459.78394	3.3
511.35175	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	511.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03490	0.6
53.49673	0.6
55.01748	2.5
57.03316	3.5
58.00468	1.9
58.55898	0.6
59.00954	1.6
59.01255	50.0
61.98705	74.0
62.98402	1.9
63.99144	0.8
69.03316	0.9
71.01255	42.0
71.53664	0.8
72.99175	3.0
73.02826	12.7
75.00769	0.7
83.01259	8.3
83.31128	0.6
85.02823	18.2
85.99959	0.9
87.00790	3.3
89.02318	19.3
95.01266	1.7
97.02815	2.0
99.00764	5.1
101.02328	37.1
102.02650	0.7
111.00770	4.1
113.02332	11.2
114.13373	0.7
115.03857	0.9
119.03365	1.9
123.04407	2.1
125.02343	3.2
129.01797	0.8
130.47583	0.7
131.03415	14.8
137.02396	0.7
139.70866	0.6
143.03387	1.9
149.04459	5.8
153.05476	2.4
159.02850	1.3
161.04453	6.3
165.24817	0.6
175.56392	0.7
191.05638	0.8
209.11792	1.2
227.12845	1.8
233.06596	2.7
234.80115	0.7
299.23889	1.7
301.20200	1.0
309.94568	0.9
319.21249	37.0
320.21539	3.8
377.30753	1.4
378.98914	0.8
392.02176	0.7
448.09656	0.9
449.32666	3.1
451.25439	100.0
452.25803	14.8
476.61230	0.7
511.25839	1.1
511.32303	6.9
512.32916	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	511.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.9
57.03318	3.4
57.91909	1.5
59.01254	77.0
61.98706	26.3
71.01256	57.9
72.99172	6.4
73.02818	16.6
75.00735	2.3
81.03340	2.2
83.01273	11.0
83.04950	1.7
85.02827	24.6
87.00740	3.4
89.02327	30.9
95.01273	3.6
97.02823	3.3
99.00756	6.4
101.02326	49.9
111.00755	5.3
113.02335	22.2
119.03368	2.2
121.02838	4.3
123.00782	3.1
124.01577	2.1
125.02365	3.5
131.03410	26.0
136.49043	1.6
137.02330	3.3
139.00351	2.4
145.02940	1.7
149.04492	9.1
151.00237	2.7
152.01030	4.3
153.05455	5.0
159.02908	2.4
160.01588	1.6
161.04443	10.8
171.10164	3.9
178.99731	4.6
180.49841	1.6
181.01392	2.4
191.05478	3.3
197.04474	10.7
209.11821	10.0
223.39783	1.5
227.12874	2.0
233.06612	2.6
251.16884	1.6
302.10849	1.8
319.21234	60.7
320.21567	6.3
343.24841	6.8
451.25446	100.0
452.26068	13.2
483.16760	2.8
511.20743	11.6
512.21808	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	511.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.7
57.82725	0.5
59.01256	5.5
60.21851	0.6
61.90553	0.4
61.98706	3.7
71.01242	1.3
73.02816	0.7
80.02546	0.9
81.03318	1.3
83.04895	6.2
84.02046	1.3
86.62088	0.5
93.03313	1.0
95.04896	1.4
102.18130	0.6
109.06447	0.6
125.09599	2.5
135.08054	1.6
149.09621	0.8
159.34969	0.5
163.11214	3.7
165.12743	2.2
171.10191	28.5
172.10556	1.5
181.12286	0.7
185.11772	2.0
191.10747	0.7
201.02188	0.6
202.58821	0.5
203.14491	1.1
209.11774	100.0
210.12099	5.7
221.11749	1.5
223.13380	1.2
227.12834	9.1
229.12228	0.6
231.13875	1.0
239.73300	0.6
247.13396	9.3
248.13713	1.0
265.14566	2.8
357.20395	0.7
375.21317	1.1
375.25662	1.1
401.23386	1.6
419.24213	1.4
431.24692	0.7
437.25592	0.8
449.25543	2.7
450.25729	0.6
451.26447	0.6
451.33438	0.6
475.26956	3.9
493.28113	2.0
494.28217	0.7
511.29224	2.3
511.36401	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	511.35
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	48.5
60.01600	0.7
61.98702	0.7
69.34116	2.6
71.01241	0.6
73.17547	0.3
81.03341	4.2
83.04898	11.3
84.05269	0.4
86.86710	0.4
90.40563	0.3
98.19793	0.6
107.06069	0.4
108.04503	0.5
109.02817	0.4
123.00760	0.4
124.01588	0.6
125.02322	0.6
125.07084	1.4
128.11894	0.4
137.02258	0.4
143.08197	0.6
148.26717	0.4
149.99443	0.6
150.21075	0.4
161.02333	0.6
168.00505	0.9
207.14952	1.6
207.45122	0.4
224.17706	2.0
225.16032	6.9
226.16257	0.5
239.30342	0.3
242.18758	0.4
287.01920	0.4
324.26538	0.9
331.00876	0.4
332.93192	0.3
333.22900	2.0
334.23172	0.4
351.24139	0.8
367.27106	0.8
433.31763	4.8
434.31934	0.5
451.32886	100.0
452.33234	17.5
511.10602	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	512.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.7
61.98705	100.0
71.01254	0.9
75.00750	0.4
83.01281	0.5
85.02828	0.4
88.09264	0.2
89.02290	0.3
96.95947	0.2
101.02319	0.5
113.02325	0.3
123.04441	0.2
137.02319	0.2
145.02878	0.6
149.04449	0.2
159.08069	0.2
161.02359	0.2
262.14218	0.2
318.20255	0.3
372.52957	0.2
452.25485	0.4
477.21219	0.2
512.20551	0.3
513.27252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.9
61.98704	100.0
62.63241	0.3
62.73787	0.3
69.33830	0.7
69.34236	1.6
71.01266	1.1
75.00716	0.3
77.00341	0.3
80.05669	0.3
80.96401	0.3
84.31705	0.3
85.02824	0.5
89.02300	0.5
98.20490	0.6
99.00776	0.4
101.02327	0.8
121.41412	0.3
125.02330	0.4
145.02896	0.5
169.29283	0.3
194.31363	0.3
194.39191	0.4
196.11871	0.3
230.29462	0.3
457.16891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85271	0.5
57.03321	1.2
59.01250	4.2
61.68260	0.6
61.98406	0.5
61.98698	2.6
64.86979	0.7
68.99693	4.4
69.03326	1.0
71.01253	4.5
72.99204	0.7
73.02818	1.8
75.00740	1.7
80.51183	0.6
83.01276	3.1
85.02818	8.3
87.00748	4.0
89.02335	1.6
95.01277	2.1
95.71437	0.6
96.95913	0.9
97.02844	1.7
98.02360	0.7
99.00771	8.5
101.02328	4.1
109.02831	1.1
111.00783	3.0
112.98686	0.7
113.02336	8.5
113.26010	0.5
113.99474	24.0
115.00273	9.9
117.03333	1.9
123.04386	2.5
125.02310	2.2
127.00244	4.2
129.01862	3.7
131.03391	0.9
134.02638	1.4
134.03632	20.2
137.02327	1.4
139.00278	1.3
141.01840	1.3
149.05983	2.3
151.03903	1.4
152.29613	0.5
153.01791	0.7
153.05486	1.8
157.01318	6.7
161.02399	1.2
167.03433	0.7
169.01335	3.1
174.01613	20.9
175.02272	3.8
175.03931	2.1
177.01901	0.8
179.03331	0.8
182.97786	0.7
191.05388	0.8
191.07013	0.7
193.03319	1.1
193.04997	15.2
235.06038	1.0
277.05627	48.0
278.06027	3.7
289.07303	1.4
319.06729	1.0
337.07755	96.5
338.08075	6.8
453.10413	5.3
459.94794	0.7
513.12476	100.0
514.12891	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	513.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79435	1.7
59.01254	32.3
59.57104	1.5
61.98705	3.5
66.30382	2.1
71.01260	23.3
71.53877	2.2
72.99197	3.6
73.73753	1.9
83.01275	3.0
85.02846	5.3
87.00774	8.3
89.02322	22.3
99.00731	2.0
101.02330	20.1
108.04407	2.2
113.02329	10.0
119.03382	11.4
120.04517	2.0
121.05230	4.5
122.06027	11.5
125.02303	2.0
136.03937	1.9
136.07582	2.4
138.05504	3.9
148.03961	3.8
149.04642	3.6
150.05553	6.1
165.01910	2.1
165.04263	4.9
166.05016	5.4
173.08376	1.9
179.05588	2.8
184.11263	3.6
188.07007	2.9
202.12360	7.8
204.06674	5.0
213.06712	2.3
214.07326	2.0
216.06619	4.0
217.07405	4.2
218.08192	2.7
229.09807	9.2
231.09149	2.0
231.11308	24.7
246.11337	13.2
253.09789	3.9
256.08597	1.8
270.10150	4.0
271.10895	33.5
273.12393	1.7
277.05554	2.1
289.07269	2.1
312.10934	2.3
328.10477	2.9
328.29678	1.8
337.07813	3.5
338.88580	1.9
346.11554	5.7
372.09393	1.9
390.10544	3.7
397.13931	7.4
408.16519	2.1
426.17819	4.0
433.16391	2.6
451.17239	42.7
451.23566	2.4
452.17361	5.6
469.18436	8.5
470.17487	2.8
495.16306	12.7
502.59314	1.6
513.17395	100.0
514.17773	14.9
518.95337	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	513.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47411	0.7
54.79447	0.7
59.01255	12.1
59.25251	0.8
61.98706	5.4
65.17426	1.0
69.26988	6.7
71.01258	3.8
73.02808	2.9
79.95610	3.6
83.01247	1.5
85.02827	1.9
87.00755	1.2
87.29126	0.7
89.02311	1.1
95.01285	0.9
95.04910	2.1
96.95895	38.9
97.02843	1.4
99.04396	0.9
100.60197	0.8
101.02329	2.0
107.04933	0.9
108.02074	2.6
109.02857	1.5
111.04432	2.0
111.08041	3.0
113.02332	1.2
121.02870	1.8
122.03658	1.3
123.00771	3.6
123.04412	94.1
124.01527	4.8
124.04763	3.1
125.02336	11.0
132.02118	0.9
133.02843	2.8
135.04434	1.7
135.07999	3.8
137.02321	2.3
137.05989	6.4
145.02818	1.0
149.02354	1.8
149.06044	0.8
149.99529	6.0
150.03105	2.9
151.00294	1.1
151.03934	1.9
153.05482	100.0
153.09018	2.0
154.05826	5.3
155.07062	6.4
156.07515	1.2
161.02365	10.2
165.05455	2.3
167.03401	1.3
168.00540	8.7
169.01302	1.2
171.10164	2.9
177.01894	1.1
178.02592	1.8
179.03392	1.3
179.06985	1.4
185.72643	0.8
187.17746	0.7
193.04994	2.4
195.06609	1.3
197.08130	3.5
215.09169	2.9
256.07516	1.0
271.09775	1.0
272.07010	1.1
287.09274	8.5
287.78766	0.9
310.63409	0.9
315.10953	2.6
323.07471	1.7
333.13742	2.8
338.38422	1.0
359.13559	6.0
477.13977	5.0
513.20276	78.6
514.20764	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	513.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42144	1.4
59.01252	55.5
61.98702	18.9
69.12367	1.5
69.59315	1.2
71.01261	29.9
71.04888	3.2
71.55256	1.4
73.02824	8.0
75.00731	1.5
83.01283	3.0
83.04893	5.3
85.02839	12.6
87.00757	8.3
89.02324	8.4
95.01256	2.4
95.04868	1.7
97.02837	1.5
97.06453	3.9
99.00758	4.1
99.04373	1.6
101.02319	15.8
101.05960	5.3
107.04902	12.6
109.78701	1.4
113.02313	11.8
113.06009	1.5
116.66746	1.3
119.03390	2.0
119.04930	1.8
120.05695	4.2
123.04423	3.0
125.02386	2.8
129.01775	1.8
131.03400	1.5
135.04387	6.5
135.08113	1.7
135.11702	1.9
137.02362	2.3
137.05901	1.6
139.03844	2.3
145.02847	4.6
149.04495	1.8
149.05872	1.5
157.06459	1.9
159.02907	1.6
159.08186	1.8
161.04460	10.7
161.09633	22.8
161.13280	13.1
162.10010	1.6
163.11147	2.6
167.03415	2.0
179.10674	6.3
183.10193	4.3
187.11215	31.9
189.09160	23.1
190.02721	2.9
203.10706	2.0
205.04994	2.9
205.12283	20.4
207.10231	6.6
209.48312	1.3
223.13336	3.3
248.53481	1.5
249.11320	8.9
263.11273	3.9
267.12354	7.6
299.78210	1.5
307.08118	1.9
341.45441	1.3
347.17184	1.6
369.15497	2.7
470.62830	1.5
513.23389	100.0
514.23907	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	513.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01276	2.6
61.84135	1.1
61.98710	3.4
67.00459	1.0
71.53973	1.4
71.54390	1.5
83.01289	1.4
87.01360	1.1
93.03351	2.0
107.04907	1.9
109.02891	1.8
121.02824	8.9
135.04436	25.2
136.05208	2.5
137.02353	9.9
147.04413	11.7
148.05193	11.4
149.02351	34.5
149.03543	1.8
149.05981	4.7
150.03062	2.4
163.03951	2.5
163.07555	5.3
164.04706	84.4
165.01857	2.7
165.05052	3.8
172.05214	4.0
173.06000	1.6
179.07063	79.9
180.07446	6.0
187.07533	6.2
191.07069	8.3
205.08223	1.3
213.09166	1.9
256.14682	14.4
257.15201	2.0
258.16153	2.3
259.13480	2.5
259.16733	2.4
274.15747	100.0
275.16089	10.5
287.05597	2.6
289.18112	70.5
290.18451	7.2
451.24860	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	513.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99971	0.3
52.94218	0.2
54.95145	0.3
55.01753	0.4
57.03333	0.7
58.00478	0.9
59.01253	100.0
60.01584	1.2
61.98707	5.1
64.85739	0.2
71.01255	20.6
72.99192	1.1
73.02820	2.7
83.01262	1.5
85.02824	5.0
87.00765	1.0
89.02319	19.0
90.02696	0.3
95.01292	1.1
97.02841	0.6
98.19756	0.5
99.00766	1.7
101.02327	11.4
102.02689	0.4
111.00751	0.3
113.02338	7.9
119.03389	6.2
122.97514	0.4
125.02374	0.7
131.03406	2.9
137.02399	0.4
143.03392	1.5
149.04454	3.7
159.02921	0.3
161.04463	3.7
179.05516	2.4
191.05641	0.7
195.94122	0.2
219.13983	0.2
233.06686	0.3
253.21178	0.3
319.21481	0.2
356.02786	0.2
380.96286	0.3
381.22787	4.6
382.23312	0.6
513.27057	6.3
514.28107	0.7
538.16034	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96154	0.2
53.55721	0.2
56.16501	0.2
58.00466	0.7
59.01254	100.0
60.01600	1.1
61.98701	0.3
69.33222	1.8
71.01258	14.9
72.99191	1.0
73.02835	0.6
76.66864	0.2
83.01279	0.7
83.69991	0.2
85.02823	1.7
87.00758	0.7
89.02320	16.5
90.02634	0.2
95.01283	0.7
99.00750	0.3
100.73166	0.2
101.02328	8.3
113.02338	6.0
119.03394	6.6
125.02286	0.3
125.37120	0.2
131.03392	1.4
143.03436	1.1
149.04494	1.3
161.04495	1.3
175.02487	0.3
179.05518	2.2
179.06709	0.2
191.05597	0.3
194.80556	0.2
212.95012	0.2
229.19659	0.5
241.85236	0.3
273.16043	0.3
273.18530	1.3
453.24951	19.9
454.25302	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	513.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.4
57.03341	2.7
58.00463	2.4
59.01253	100.0
60.01596	1.4
61.98687	0.8
65.36921	0.5
69.03339	1.0
69.25101	5.0
71.01255	52.5
72.01606	1.0
72.99177	2.7
73.02824	15.8
75.00747	1.1
83.01262	4.1
83.04910	0.6
85.02827	13.1
87.00774	2.7
89.02319	59.5
90.02663	1.2
95.01263	3.0
97.02832	1.6
99.00762	17.6
101.02326	41.5
111.00789	0.8
113.02336	18.5
114.02647	0.9
115.03910	1.3
119.03398	13.9
121.02834	0.6
125.02345	4.5
131.03400	12.9
135.04427	1.6
141.86441	0.6
143.03430	2.8
149.04469	33.1
149.13333	1.6
150.04860	1.0
157.15736	0.6
159.02885	1.1
161.04449	6.3
164.04727	1.6
179.05618	3.7
179.06975	0.8
191.05550	10.3
191.07129	0.9
216.11476	0.6
221.06665	0.7
229.19603	4.8
230.19920	0.8
233.06635	1.2
251.07826	1.3
274.15735	1.7
289.18207	2.6
293.08664	0.7
339.70380	0.6
381.23141	1.0
453.24902	14.8
454.25485	2.1
495.08264	0.6
513.27063	8.8
514.27667	2.0
524.63934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60794	0.1
55.01764	0.4
57.03314	0.2
58.00476	0.3
59.01251	6.6
69.03331	0.1
69.27766	0.2
69.28175	0.4
71.01255	4.8
72.99170	0.3
73.02820	1.1
73.70722	0.1
75.00722	0.1
83.01257	0.6
83.04896	0.2
85.02344	0.1
85.02825	1.2
87.00756	0.7
89.02316	3.8
91.03868	0.2
95.01263	0.4
97.02834	0.2
97.06474	0.1
99.00758	0.3
101.02324	4.8
102.02669	0.1
103.03938	0.1
103.79033	0.1
111.04420	0.1
113.02334	2.0
114.02618	0.1
115.03842	0.1
119.03394	1.1
125.02338	0.2
127.07507	0.2
131.03418	0.1
133.04953	0.3
143.03395	0.4
157.04962	0.2
161.04477	1.6
162.04802	0.1
179.05510	0.5
182.13042	0.1
205.19522	0.1
233.22765	0.3
235.08188	1.2
236.08522	0.1
236.18929	0.1
242.51370	0.1
253.09264	16.2
254.09641	0.9
259.20636	0.3
275.20111	0.4
277.21713	100.0
278.22058	12.5
364.60019	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.3
57.03323	0.2
57.03764	0.1
58.00456	0.3
59.01251	7.0
69.03347	0.1
69.28545	0.8
71.01254	5.2
72.99165	0.3
73.02817	1.1
83.00808	0.1
83.01249	0.5
83.04868	0.1
84.75934	0.1
85.02823	1.2
87.00756	0.7
89.02321	3.9
90.37859	0.1
90.70298	0.1
91.03891	0.3
95.01250	0.4
97.02818	0.2
98.20560	0.2
99.00768	0.3
101.02325	4.4
102.02686	0.1
103.03854	0.2
113.02329	2.3
113.05986	0.1
119.03396	1.1
125.02319	0.2
127.07537	0.2
131.03384	0.2
133.04979	0.3
143.03394	0.5
157.04922	0.2
159.03015	0.1
161.04488	1.6
179.05545	0.6
185.50127	0.1
201.97191	0.1
233.22650	0.4
235.08127	1.1
249.24290	0.1
253.09262	16.3
254.09651	1.0
259.20691	0.4
275.20071	0.4
277.21713	100.0
278.22058	10.9
282.78125	0.1
403.72382	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	8.5
59.57432	2.3
61.98704	100.0
69.46690	9.6
69.47089	5.2
71.01231	3.2
74.37418	2.0
89.02319	3.9
97.02830	2.8
98.20446	4.9
101.02348	2.8
109.02847	19.3
113.02331	2.5
113.60931	2.4
115.71342	2.1
123.04437	16.0
124.01584	3.1
125.02313	6.0
133.02864	3.6
135.04399	3.4
137.02396	3.7
146.23965	2.4
151.03893	8.0
153.01831	2.4
153.05467	7.2
153.43977	2.3
161.02351	9.8
162.03204	3.6
168.00618	6.1
177.01849	25.3
189.01863	34.5
190.02730	12.1
190.04173	2.5
191.03389	6.7
203.03545	4.1
216.00671	5.0
217.01404	26.7
219.02930	10.3
231.02992	7.2
280.65079	2.8
281.04529	4.9
299.05603	12.0
304.57428	2.2
341.06686	81.3
342.07019	8.7
372.25137	3.0
398.20831	3.1
451.10391	60.4
452.10544	8.4
476.75009	2.6
479.67346	3.1
496.57748	2.4
508.79373	2.2
514.20044	3.6
515.17834	6.5
537.38831	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	514.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	15.9
61.98708	24.8
65.95045	1.4
71.01264	10.3
72.99197	1.6
73.02818	2.0
74.01358	1.2
74.57652	1.2
75.00723	1.1
83.01246	1.6
85.02838	4.3
85.06472	1.7
87.00772	1.7
89.02338	5.4
89.03860	2.6
93.03349	1.3
98.19727	1.8
101.02317	6.4
105.03346	2.9
108.02008	1.3
109.02842	14.1
110.02428	1.4
113.02326	3.2
117.03389	2.4
119.03473	1.6
119.04922	1.9
121.02873	1.6
123.04431	10.7
125.02331	4.3
127.03934	1.8
133.02835	9.9
134.03606	3.2
135.04439	1.7
137.02339	1.9
137.60841	1.3
140.82762	1.4
145.02884	1.7
148.01552	9.0
149.02350	4.1
151.03915	4.4
153.05504	2.6
154.92964	1.4
159.04431	1.8
160.01552	1.4
161.02357	5.2
161.04462	3.5
163.03992	1.4
165.01878	1.3
175.03960	3.8
176.01039	13.7
177.01863	100.0
178.02290	1.9
179.03430	2.1
189.01868	23.4
190.02576	7.1
191.03381	7.5
193.05005	2.1
199.26352	1.5
203.03461	3.4
216.00653	3.9
217.01369	19.2
218.01863	1.9
219.02979	7.3
231.02908	5.3
289.07132	2.4
323.07614	3.9
337.09232	2.3
339.07172	3.0
341.06693	45.0
342.07065	5.8
451.10339	36.6
452.10556	6.0
514.21539	2.9
515.11804	12.7
515.25165	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	514.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23839	1.6
55.52059	1.9
57.03294	1.8
59.01239	7.3
61.98707	100.0
71.01256	7.1
71.07491	3.4
83.01267	2.4
85.02834	2.8
85.30849	2.0
89.02328	3.2
93.03353	1.8
96.95899	3.4
98.02359	23.8
99.01912	2.5
101.02332	3.9
106.32281	1.7
109.02847	20.8
113.02299	1.8
120.39076	1.7
121.02821	1.7
123.04423	35.7
125.02328	8.3
136.01575	5.0
137.02335	2.7
147.04500	2.1
149.02304	2.8
150.03127	10.3
151.00249	6.0
151.03915	9.1
153.01837	42.5
153.05489	35.7
154.02228	2.1
154.05891	2.2
161.02332	3.3
161.04495	2.0
165.05460	12.1
169.01361	3.6
170.39775	2.0
175.03848	3.2
177.01921	4.1
191.05510	3.2
195.06514	4.8
203.07166	2.6
241.04980	4.9
262.04489	1.8
271.09732	8.2
297.06137	33.9
393.91238	1.6
451.12451	66.2
452.12631	10.0
515.17511	14.5
526.15967	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	514.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.5
61.98704	100.0
62.98414	0.5
69.76028	0.6
69.76424	1.2
71.01252	2.6
73.02813	0.6
83.01270	0.4
84.79617	0.3
85.02827	0.8
89.02304	1.7
99.00771	0.4
101.02357	1.3
102.02701	0.5
108.92972	0.3
113.02319	0.8
115.01470	0.3
117.20051	0.3
122.50771	0.3
122.97498	0.5
130.02051	0.3
131.03439	0.6
149.04521	0.6
161.04454	0.5
163.85872	0.3
209.11641	0.4
221.79124	0.3
231.77718	0.3
368.95050	0.3
382.23297	0.8
514.27716	1.3
515.27747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.5
57.03329	0.3
59.01251	6.3
60.01588	0.5
61.98705	100.0
69.20767	0.6
69.21162	2.2
71.01253	4.9
72.99172	0.5
73.02821	1.4
83.01269	0.5
85.02837	1.2
87.00765	0.3
88.45706	0.3
89.02310	3.2
90.02676	0.4
95.01309	0.3
96.95889	0.4
99.00767	0.6
101.02317	2.5
102.02687	0.5
113.02321	1.6
119.03391	0.6
125.02367	0.3
131.03416	0.9
132.03777	0.3
145.02893	0.6
147.04562	0.3
149.04497	1.0
161.04500	1.0
191.05489	0.4
268.38058	0.3
285.04047	0.4
311.06174	0.3
382.23163	1.7
383.24335	1.1
388.70862	0.3
514.26831	1.4
515.28198	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	514.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96528	0.1
59.01255	0.6
61.89486	0.1
61.98706	100.0
62.98397	0.1
69.89843	0.4
71.01250	0.2
83.04877	0.1
98.20535	0.1
104.72462	0.1
107.01295	0.1
108.02071	0.1
109.02840	0.2
111.00812	0.1
113.02370	0.2
122.85513	0.1
123.04429	0.1
124.01570	0.2
125.02346	0.8
149.05992	0.1
149.99486	0.3
151.00278	0.3
168.00574	0.7
169.01274	0.2
177.01898	0.2
178.99881	0.1
191.05646	0.2
196.07233	0.1
243.02841	0.1
251.07166	0.1
309.04037	0.1
321.51016	0.1
323.05844	0.2
334.03693	0.3
453.33829	0.3
454.33917	0.7
485.24295	0.1
497.07846	0.1
514.09503	0.6
514.16681	0.2
514.32355	0.2
515.17694	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	515.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.3
59.01255	1.9
61.98703	1.7
69.03344	0.2
70.83434	0.2
70.83768	0.2
71.01251	1.1
72.51398	0.1
72.99184	0.4
73.02866	0.2
77.03848	0.1
81.03317	0.7
83.01272	0.2
83.04886	0.2
85.02831	0.5
87.00730	0.2
89.02331	0.8
89.03847	2.6
90.04208	0.1
93.03325	0.2
95.01265	0.2
95.04913	0.2
97.02801	0.1
97.06458	0.2
99.04417	0.2
101.02324	0.6
104.02567	0.5
105.03349	3.8
106.03666	0.2
109.02859	0.2
111.00800	0.1
111.08011	0.2
113.02367	0.4
115.03886	0.1
117.03348	0.5
121.02847	0.4
123.04415	0.6
124.48782	0.2
125.02313	0.3
126.02628	0.2
131.03354	0.2
132.02051	0.2
133.02853	9.7
134.03694	2.3
137.02388	0.2
141.09125	0.2
145.02843	0.5
148.01572	1.2
148.05176	0.2
149.02354	1.5
149.05959	0.2
151.03793	0.2
153.05499	0.6
160.01556	0.6
161.02315	0.3
161.04463	0.3
161.05846	0.2
163.03915	0.4
165.05464	0.2
173.04611	0.1
175.03920	0.5
176.01091	1.9
177.01859	100.0
178.02193	6.0
179.03595	0.2
183.10190	0.3
192.00671	0.2
193.05017	1.5
207.02942	0.2
223.13289	0.2
267.12393	0.2
337.09229	0.2
339.07187	4.4
340.07562	0.6
471.22122	0.2
474.87604	0.2
515.11945	7.4
515.20605	0.4
515.28479	0.4
516.12341	1.3
516.20123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66142	0.6
58.77106	0.7
59.01247	1.7
61.98696	6.8
68.28400	0.7
69.22209	5.3
69.22612	1.4
71.01249	2.9
72.99199	0.8
73.02820	1.1
83.01243	1.0
85.02824	1.2
87.00765	1.2
89.02303	1.1
93.03336	4.3
96.72298	0.7
98.02357	2.1
99.00740	0.9
99.01913	1.5
101.02343	0.8
103.07204	0.8
107.01332	1.3
108.02041	1.6
109.02850	2.6
113.02327	1.4
119.04929	0.8
121.02859	5.8
122.03632	10.9
123.04434	10.6
124.01525	1.1
125.02350	3.4
125.06087	0.9
133.02841	1.8
134.03654	12.0
135.04407	3.0
136.01566	24.4
137.02306	2.3
145.02809	1.4
149.02350	17.5
149.05966	6.0
150.03136	76.3
151.00346	2.0
151.03931	33.0
152.04437	0.8
153.01852	2.2
153.05475	14.3
154.05905	0.9
164.04724	3.9
165.05490	100.0
166.05827	6.1
166.70396	0.7
167.03424	1.2
169.01337	1.8
173.04578	0.8
177.01923	1.4
180.04205	6.6
181.04932	2.0
185.05994	2.0
190.02727	1.1
191.03506	0.8
191.05534	4.4
195.06564	57.6
196.06879	3.9
205.05014	1.0
212.04707	1.3
213.05557	7.1
223.03960	1.9
223.06090	1.7
224.04718	1.3
225.05603	0.9
240.04199	1.1
241.05034	38.3
242.05392	3.7
252.04352	1.6
255.06625	2.1
256.07401	34.4
257.07724	2.8
265.07074	1.6
271.09747	80.3
272.10159	6.3
284.07080	1.3
285.07788	2.1
299.09268	6.3
305.04749	0.8
315.11163	0.8
319.11862	5.8
341.06525	1.4
386.59006	0.9
419.15143	1.1
439.90140	0.7
445.05301	0.9
452.12933	2.5
467.17160	9.9
468.17691	1.3
515.11029	1.4
515.18079	5.5
516.18683	1.0
544.59637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.9
61.98708	2.6
69.30815	8.0
71.01247	1.9
72.99174	1.0
74.35591	0.9
85.02814	1.3
87.00746	1.0
87.75163	0.9
89.02316	1.1
93.03336	4.5
97.02843	1.0
102.64832	0.9
102.93679	0.8
103.43243	1.0
107.04897	1.3
108.02077	2.1
109.02843	2.3
111.00760	1.4
121.02856	11.1
122.03630	10.3
123.04462	4.7
124.01552	1.5
124.43150	0.8
125.02310	1.3
133.02852	4.1
134.03633	33.0
135.04478	7.9
136.01566	40.1
136.04810	1.0
137.02388	6.9
146.03497	1.0
146.81941	1.0
147.04420	2.0
149.01241	1.4
149.02365	24.1
149.05980	15.7
150.03137	74.6
151.03923	47.5
152.04494	3.9
153.05444	4.1
164.04678	5.3
165.05490	68.9
166.05804	3.6
167.03418	1.1
167.07028	1.8
177.01927	1.1
180.04218	4.5
181.05008	1.1
185.05930	2.9
191.05550	12.9
195.04552	2.2
195.06540	32.8
195.67751	1.0
196.06859	1.7
212.04698	2.5
213.05519	15.7
214.05823	1.1
219.06529	1.1
223.03949	3.3
224.04752	2.0
225.05396	2.2
236.04732	1.6
237.05402	1.5
238.90350	1.1
239.07062	1.5
240.04195	2.9
241.05013	67.7
242.05482	5.3
252.04218	4.7
253.04997	3.6
253.08905	1.0
255.06543	3.3
256.07385	44.0
257.07745	4.5
267.06546	1.6
269.04407	3.0
271.09753	100.0
272.10071	10.1
284.06882	3.6
285.07675	16.0
286.07901	1.3
299.09247	18.1
300.09756	1.5
319.11850	9.3
373.13049	2.1
419.15240	1.3
435.66443	1.1
467.17065	50.6
468.17493	10.0
491.68240	1.0
515.19495	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	515.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.6
57.03336	0.5
58.00460	0.4
59.01252	100.0
60.01608	1.1
60.01880	0.3
61.98699	1.7
70.29710	0.7
71.01257	8.9
72.01596	0.3
72.99196	0.6
73.02477	0.2
73.02834	1.4
83.01262	1.3
85.02817	2.4
87.00777	0.5
89.02322	6.9
95.01279	0.7
96.95881	0.3
98.20493	0.3
99.00771	0.7
101.02328	6.2
101.83495	0.2
111.00748	0.4
113.02330	3.3
119.03374	2.3
121.02869	0.3
131.03416	0.6
143.03426	0.4
149.04486	0.4
161.04449	1.5
179.05592	0.7
240.69493	0.3
249.32898	0.2
275.20239	0.5
293.21307	0.5
383.24609	0.4
445.16855	0.3
455.26514	26.2
456.26862	4.3
515.29053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52390	0.5
58.00496	0.7
59.01254	100.0
60.01599	0.9
70.40684	1.6
71.01257	12.9
72.99214	0.8
73.02847	0.6
85.02843	2.2
89.02323	14.2
90.02782	0.4
95.01302	1.0
97.50069	0.6
101.02329	6.8
113.02338	5.5
115.04750	0.5
117.33116	0.5
119.03389	7.7
121.11115	0.5
122.55306	0.6
131.03418	0.7
135.36177	0.4
143.03432	0.9
149.04506	0.7
161.04550	1.6
179.05560	3.1
191.99948	0.5
196.92039	0.5
275.20178	1.4
455.26529	22.3
456.26904	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	516.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03651	0.4
55.01740	0.6
57.03334	0.6
59.01249	8.6
60.01598	0.5
61.98703	100.0
71.01253	5.9
71.54491	0.7
72.01605	0.7
73.02827	1.8
76.08252	0.5
81.76887	0.4
83.01259	0.9
85.02843	1.6
87.00748	0.5
89.02303	3.8
90.02650	0.7
90.58099	0.4
96.95905	0.5
101.02296	3.1
102.02641	1.0
113.02345	0.9
119.03466	0.7
121.02837	0.6
122.49271	0.6
131.03410	1.8
149.04485	1.5
161.04431	1.0
169.37917	0.4
191.05597	0.7
231.60559	0.5
384.24850	1.0
446.17041	0.6
516.29016	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	516.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.3
56.62131	0.2
57.03350	0.4
58.73562	0.2
59.01252	5.0
60.70022	0.2
61.98706	100.0
62.05503	0.2
63.99114	0.3
68.22507	0.3
68.58231	0.2
69.24278	2.1
70.23056	0.2
71.01263	2.5
72.99173	0.3
73.02825	0.7
83.01260	0.5
85.02823	1.4
85.86604	0.2
87.00723	0.3
87.88309	0.2
89.02346	1.0
97.02879	0.2
99.00735	0.3
101.02333	1.9
113.02367	0.7
117.03384	0.3
131.03384	0.3
141.09161	0.4
145.02899	0.7
161.04509	0.4
170.85196	0.2
204.46346	0.2
205.27840	0.2
213.18515	0.3
230.97078	0.3
244.04494	0.2
305.10419	0.4
311.26044	0.5
355.24896	0.6
355.28860	0.4
384.24716	0.3
516.29596	0.3
517.25702	0.4
517.33893	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	516.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08163	0.2
51.01622	0.2
59.01257	1.3
60.01593	0.2
61.98705	100.0
62.98423	0.2
65.16798	0.2
69.65866	1.0
89.02328	0.2
98.20515	0.4
101.50856	0.2
217.10847	0.2
244.06384	0.2
261.10687	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48862	0.9
55.01765	1.2
57.03323	2.4
58.00450	0.8
59.01254	19.8
61.98706	8.4
63.01496	0.9
69.03344	1.2
69.37735	4.7
69.38146	2.2
71.01259	11.8
72.99181	1.9
73.02814	10.2
74.24349	1.1
75.00745	3.6
78.44250	0.9
82.72110	1.0
83.01260	2.2
84.05116	1.0
85.02812	6.7
87.00752	1.4
87.04403	2.0
89.02319	7.3
93.03325	1.9
95.01273	1.3
97.02872	1.4
97.06438	1.1
99.00791	1.3
99.04362	2.3
101.02318	10.8
105.03347	1.7
109.02864	1.0
113.02325	5.4
117.03364	1.6
119.03387	2.2
121.16666	1.1
125.02358	2.4
130.69800	1.0
132.02074	20.0
133.02855	4.0
134.03644	25.0
135.04439	3.1
137.02325	1.9
141.09152	6.3
143.03398	1.1
145.02869	3.1
146.03639	34.7
147.04234	1.9
148.05215	16.7
149.04494	1.9
149.05991	6.7
151.03955	1.2
154.58519	1.0
160.01576	84.3
161.02188	5.2
161.04480	4.3
161.06010	10.4
161.09660	2.0
162.05492	2.2
163.03981	2.4
163.06186	2.1
163.07536	14.4
164.04715	23.1
165.05287	1.6
175.03929	100.0
176.01031	1.2
176.04282	7.4
177.01891	11.4
178.02225	7.4
179.02187	2.8
179.03654	7.1
179.05476	1.5
179.07054	30.5
180.07436	1.5
185.11812	2.5
191.07150	1.4
193.04999	24.9
194.05728	7.2
205.07240	1.2
205.12337	2.2
209.08151	6.4
235.06079	2.2
267.10892	2.9
271.06171	2.2
277.07278	1.4
322.07144	1.5
337.09293	90.8
338.09628	8.8
380.39023	0.9
387.27551	1.9
407.07910	2.9
457.20660	1.8
471.18640	5.4
472.19653	1.6
517.17181	35.0
517.23065	3.6
517.30176	2.1
518.17102	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	517.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	5.8
58.00495	1.7
59.01256	52.4
61.98702	13.9
65.15177	1.8
69.03320	3.8
71.01257	40.9
72.99181	3.5
73.02812	7.4
74.74120	1.6
75.00735	2.5
83.01266	4.0
85.02831	10.2
87.00734	6.1
88.98701	1.9
89.02319	37.3
95.01260	1.9
97.02843	6.6
99.00755	5.3
99.04381	2.3
101.02318	14.8
105.05470	2.4
107.04920	8.4
109.02835	4.7
113.02336	7.9
117.03344	11.7
119.04910	7.7
123.04409	13.5
125.02338	23.1
131.03395	6.3
133.02835	6.6
134.03635	13.1
135.04420	100.0
136.04755	3.1
143.03365	2.6
145.02856	46.3
148.05235	17.1
149.04445	5.6
149.05887	3.5
153.05486	26.8
160.01587	3.7
161.02364	27.6
161.04446	5.8
161.09608	10.6
161.13252	5.3
163.03891	4.6
163.07518	4.9
175.03909	9.7
176.04625	2.4
178.02698	4.6
179.03433	84.3
179.10635	2.3
179.87682	1.8
180.03754	3.5
187.11212	13.7
189.09116	7.7
191.05516	5.5
193.04970	7.6
194.05797	7.5
203.10631	2.0
205.12259	11.4
207.10190	4.7
209.08244	9.9
233.06683	13.1
249.11510	3.0
252.16277	2.0
267.10638	11.0
293.08737	26.1
301.23975	2.4
307.08212	31.5
308.08765	2.2
308.45813	1.9
323.07761	9.6
337.09286	13.6
341.08847	3.3
473.14545	3.6
481.20532	3.9
517.14148	10.8
517.22864	57.4
518.14081	4.5
518.23132	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52172	1.5
55.01733	1.9
56.52402	1.7
57.03306	6.4
59.01250	55.4
61.98710	16.1
63.36987	1.7
69.50822	3.5
69.51226	8.3
71.01255	28.1
72.99186	2.0
73.02809	10.2
75.00740	7.2
83.01261	3.7
83.04874	4.5
85.02853	10.2
87.00749	9.5
89.02319	16.4
90.17938	1.8
93.03344	1.9
95.01290	3.5
97.02805	2.0
97.06461	5.3
99.00733	3.2
99.54255	1.8
101.02321	20.1
105.05438	4.6
107.04894	13.6
112.83434	2.2
113.02350	12.3
113.55009	1.8
117.03334	5.8
119.03384	3.7
119.04924	2.7
120.05647	3.0
123.04424	9.4
125.02309	6.1
131.03386	2.2
133.02863	2.4
135.04422	19.2
141.05453	2.5
141.09122	4.5
143.03380	2.5
145.02837	12.2
148.05191	4.7
151.03864	2.1
151.21565	2.4
153.05479	13.8
160.05153	1.8
161.02338	4.3
161.04486	9.1
161.09634	20.7
161.13234	11.8
163.03886	2.6
163.07544	5.5
163.11169	2.0
175.03932	3.7
179.03444	14.5
187.11209	29.4
188.11649	2.0
189.09154	19.3
191.05687	2.0
194.05768	2.8
203.10728	2.7
205.12273	15.4
207.10202	9.3
208.03233	2.8
209.08102	4.0
210.81847	1.9
227.03537	1.8
233.06538	2.4
249.11342	12.4
267.10599	19.9
285.03986	3.1
293.08823	5.4
307.08243	7.8
332.85599	2.0
337.09311	3.6
375.03931	2.1
406.94733	2.4
432.10162	4.7
499.21765	2.8
517.22913	100.0
518.13031	1.6
518.15668	2.5
518.23096	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	517.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.1
57.03323	4.3
58.00459	0.9
59.01252	41.6
60.01579	0.8
61.98705	8.5
69.03318	1.3
71.01253	21.8
72.61947	0.6
72.99180	2.2
73.02821	6.6
75.00762	0.7
83.01269	2.5
83.04893	2.8
85.02822	9.6
87.00769	5.1
88.12302	0.6
89.02322	8.8
93.03346	1.5
95.01276	2.1
95.04910	1.3
97.02859	1.8
97.06467	3.2
99.00765	2.7
100.09809	0.6
101.02324	16.8
101.06007	0.8
105.05453	4.2
105.07012	0.7
107.04922	6.8
109.02846	3.9
111.04386	0.8
113.02332	8.6
115.92027	0.7
116.92743	2.5
117.03380	0.7
119.03413	2.4
119.04919	1.3
120.05700	3.8
121.02856	1.1
122.03664	0.8
123.04413	65.2
124.04735	3.8
125.02366	1.6
131.03409	1.4
132.02106	0.9
133.02861	2.4
134.03627	1.3
135.04433	7.3
135.08000	0.7
137.02339	1.3
139.03928	0.9
141.05505	1.4
141.09116	2.5
143.03421	1.6
145.02820	1.8
145.10178	0.7
147.04533	0.8
149.02347	1.8
149.04437	1.5
149.05978	1.3
151.03957	2.4
152.04660	1.4
153.05484	100.0
154.05814	4.9
157.06514	0.9
159.02913	1.5
159.08023	0.8
160.01567	2.6
161.02374	6.2
161.04474	7.3
161.05931	1.0
161.09627	11.9
161.13220	5.2
162.09949	1.0
163.03929	1.3
163.07584	1.1
163.11186	2.1
167.03427	0.9
175.03941	3.2
176.01057	0.7
177.01843	3.6
179.03394	3.7
179.05585	0.8
179.07106	0.8
179.10689	2.6
180.29405	0.6
183.10182	0.9
187.11220	14.0
188.11575	1.2
189.09154	10.7
190.02629	1.1
191.07137	1.5
193.05081	1.7
203.07069	2.2
203.10756	0.6
205.05048	3.2
205.12274	10.2
206.12602	0.9
207.10179	5.3
223.09737	2.4
223.13405	1.9
230.05702	0.6
231.06599	1.0
245.08096	0.8
247.05965	0.9
249.11659	4.7
267.10663	13.6
268.11243	1.0
269.12061	0.9
297.09866	0.7
309.11859	1.0
337.09354	2.0
355.11871	22.1
356.11957	3.0
373.15109	1.9
373.25800	1.7
387.27643	1.2
481.20847	9.9
482.21216	1.7
499.21924	1.7
517.15228	2.4
517.22925	69.0
517.29547	3.2
518.16394	1.3
518.23340	11.5
518.30420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.4
57.03328	2.3
58.00460	0.9
59.01253	26.8
60.01588	0.6
61.98709	6.3
67.87638	0.4
69.03329	0.5
71.01257	23.9
72.01572	0.5
72.99166	1.8
73.02820	5.8
83.01263	3.4
85.02828	8.2
86.03129	0.4
87.00741	2.1
87.04363	0.5
88.96856	0.4
89.01826	0.7
89.02325	9.6
95.01249	1.6
96.95902	0.5
97.02823	0.6
97.06471	2.3
99.00785	2.1
101.01695	0.8
101.02329	14.7
101.05894	0.5
102.58379	0.4
109.02773	0.4
111.00780	1.0
113.02335	8.5
117.03339	1.5
119.03394	3.5
119.04877	1.4
121.02841	2.2
123.04407	0.9
125.02345	0.8
129.01813	0.5
131.03384	0.9
137.02336	0.5
139.00246	0.4
139.07503	0.7
140.00510	0.5
141.09140	0.5
143.03447	0.9
145.02855	4.7
146.03151	0.6
149.04420	0.6
151.00255	1.1
155.10712	0.8
157.08629	2.1
159.02846	0.5
161.04468	3.1
163.03944	0.9
167.92477	0.4
171.10205	2.2
175.03900	0.6
179.05524	1.5
185.11778	0.9
211.39388	0.4
228.98288	0.5
239.16472	0.6
265.07169	0.4
271.06137	2.0
279.12149	0.5
281.04269	0.7
313.06873	0.5
319.23087	0.4
325.23807	2.4
337.23846	3.7
355.21292	0.5
355.24875	11.7
356.25156	1.2
373.25937	3.8
379.10544	0.4
385.22281	0.7
401.08636	1.1
487.13898	0.9
499.29202	1.8
502.16125	0.6
517.30170	100.0
518.30511	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	517.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86644	0.2
55.01756	0.8
57.03333	0.8
58.00466	0.9
58.33435	0.3
59.01254	14.7
61.98702	0.9
65.24313	0.3
69.48850	1.6
71.01258	10.9
71.04897	0.8
72.99174	1.2
73.02821	2.2
83.01267	1.7
85.02825	4.1
87.00771	1.0
89.02328	4.5
95.01251	1.1
98.19742	0.4
99.00775	0.9
101.02333	5.7
101.94558	0.3
113.02338	3.1
117.03369	0.5
119.03387	1.3
123.08045	0.7
125.02331	0.4
125.09631	2.0
145.02866	1.9
161.04362	0.3
171.10219	0.4
207.06662	0.6
211.13463	0.5
213.95251	0.3
256.32004	0.3
262.17331	0.3
265.18088	0.8
295.22845	0.4
307.22778	0.7
325.23871	5.5
337.23843	7.5
338.24185	1.0
339.25772	0.5
355.24896	16.0
356.25189	1.8
499.28952	1.6
517.30212	100.0
518.30566	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	517.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.8
57.03316	0.9
58.00463	0.9
59.01254	16.5
60.01616	0.3
61.98706	0.8
69.88113	1.0
71.01257	11.2
71.04893	0.6
72.99174	0.9
73.02827	1.9
83.01258	1.9
85.02831	3.8
87.00756	1.0
89.02318	4.8
92.79496	0.2
95.01272	0.9
97.06465	1.1
99.00745	0.9
101.02327	6.2
111.00752	0.3
113.02327	2.9
119.03387	0.9
139.11229	1.2
143.03404	0.3
145.02832	0.3
153.12724	0.5
199.13371	0.3
227.16472	1.8
239.16530	1.3
265.18091	1.2
295.22794	0.8
307.22821	1.2
309.24304	0.6
319.22821	0.9
325.23834	6.2
326.24167	0.6
337.23874	6.2
338.24146	0.8
339.25397	0.6
355.24896	17.4
356.25214	2.6
373.25916	0.3
499.29138	1.2
517.30188	100.0
518.30524	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82269	0.7
59.01253	100.0
61.98707	2.7
71.01257	12.2
71.20658	0.7
71.53271	0.8
72.99197	1.2
85.02847	2.4
87.00797	0.8
89.02322	16.8
96.95917	1.0
100.05608	0.6
101.02316	8.9
113.02337	6.0
119.03410	7.5
131.03407	0.9
135.12946	0.7
143.03331	1.7
161.04488	1.7
179.05534	3.4
366.76025	1.0
398.80579	0.7
457.28000	9.2
458.28857	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.7
57.03328	0.5
57.51952	0.3
59.01251	100.0
60.01590	0.9
61.98713	0.7
64.20594	0.3
66.43560	0.3
70.84982	0.7
71.01254	6.0
71.01608	0.4
72.45369	0.3
73.02827	1.2
83.01279	0.7
85.02809	2.0
87.00760	0.4
88.49013	0.3
89.02309	1.9
95.01255	0.6
96.95918	0.4
99.00763	0.8
101.02312	4.4
107.26693	0.3
111.00843	0.4
113.02315	2.6
119.03442	0.5
121.02839	0.6
123.60376	0.3
125.02332	0.8
151.03902	0.4
159.02893	0.5
161.04535	1.4
213.57396	0.3
249.26515	0.3
277.21878	0.5
289.07095	0.5
295.22769	0.9
308.57825	0.3
352.14645	0.3
457.28082	38.3
458.28406	5.7
492.69962	0.3
517.30206	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.3
61.98705	0.4
78.95777	46.0
86.25491	0.3
96.95882	0.3
96.96843	6.2
149.86948	0.2
150.97961	1.9
152.99492	100.0
153.99861	1.6
161.01927	0.3
171.00571	4.2
171.56499	0.3
193.61382	0.2
198.09779	0.2
205.36690	0.3
246.39832	0.3
264.30243	0.3
266.08920	0.2
277.21765	0.6
431.22018	19.2
432.22507	2.3
472.26086	0.2
518.25189	3.1
519.25238	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55665	0.2
59.01259	1.1
60.01591	0.3
61.01671	0.2
61.98705	100.0
62.98419	0.2
71.01271	0.4
71.54456	0.3
75.12938	0.2
86.04288	0.2
96.95922	0.3
125.02336	0.2
169.26448	0.2
211.53743	0.2
222.35876	0.2
291.19611	0.3
403.70932	0.2
495.58362	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75325	0.3
58.02448	0.3
59.01254	1.8
61.98704	100.0
71.45832	0.3
71.46186	0.3
77.69418	0.2
85.02879	0.3
89.02320	0.4
100.50655	0.3
111.62690	0.3
112.64814	0.3
125.02317	0.4
129.77058	0.3
155.97388	0.3
161.02354	0.3
255.06583	0.4
270.09100	0.4
359.82220	0.3
456.03873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	11.5
59.01250	9.4
61.98701	5.3
69.74978	7.1
71.01258	8.8
72.99183	4.8
75.00752	6.5
76.27930	1.8
83.01291	3.5
85.02827	100.0
86.03158	2.0
87.00749	3.4
89.02315	2.3
93.03330	11.1
93.05080	2.1
93.75936	2.0
95.22326	1.7
96.99204	3.3
97.57553	1.6
97.82637	2.1
98.19849	3.9
101.02311	3.7
103.00258	2.2
104.20914	1.8
111.00816	2.9
114.97101	1.8
115.00275	3.1
116.14539	1.8
119.04933	10.1
123.04430	2.0
125.02330	3.1
129.01808	13.3
134.03532	1.8
135.11127	2.2
136.01540	1.9
137.02321	2.1
143.04919	8.5
145.02846	3.7
147.02921	21.5
163.03903	8.3
170.09868	1.9
173.00783	2.6
191.01901	56.1
209.02948	17.2
211.07443	3.6
224.81300	1.7
226.06215	3.6
235.07625	2.4
237.09212	3.9
241.08676	3.3
250.98294	1.9
265.08658	7.6
268.71799	2.1
300.08307	1.9
309.07767	2.3
327.08719	64.7
328.09082	7.7
446.52234	2.3
519.16388	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	519.1149
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.01776	0.7
55.14605	0.5
56.18579	0.6
57.03308	0.6
57.69952	0.6
59.01249	8.4
61.98704	7.5
63.02281	0.7
64.93757	0.6
65.00187	1.0
70.34949	1.6
71.01254	7.8
72.99179	1.6
73.02809	1.8
83.01255	2.3
85.02830	3.1
87.00750	1.4
87.92172	0.6
89.02303	3.6
93.03355	1.1
95.01249	0.9
97.02740	0.7
99.00737	1.2
99.04419	0.9
101.02314	4.9
103.03860	0.7
107.01260	1.8
108.02052	0.6
109.02818	1.7
113.02335	2.4
117.03357	4.9
119.01283	0.6
119.03393	0.9
119.04917	3.5
121.02849	1.4
123.04405	2.6
124.01557	0.9
124.04691	0.6
125.02302	1.3
131.03384	1.1
133.02782	0.9
135.04420	2.3
136.01509	3.1
137.02312	1.9
138.03099	1.0
139.03888	0.9
145.02867	20.8
146.03183	0.9
147.04350	1.3
149.02350	0.9
150.03125	0.8
151.00287	6.6
151.03926	5.2
153.05489	2.7
154.05801	0.8
155.04921	1.1
159.04440	1.6
161.02345	1.7
161.04465	2.0
161.05811	0.7
162.03000	0.7
163.03946	4.5
165.01813	0.8
165.05493	2.3
169.01384	1.1
171.04451	0.9
175.03874	1.7
177.01860	0.8
177.05435	0.8
179.03485	0.9
180.00566	2.3
181.01279	1.0
181.04980	6.7
183.04420	2.7
187.03918	1.4
193.01357	0.8
193.04964	1.0
195.02939	3.6
196.03748	4.8
199.03935	7.9
200.04114	0.8
201.01939	1.4
203.03435	0.7
205.05045	1.0
211.04134	1.3
211.06067	7.1
215.03467	3.2
215.05287	0.6
225.05536	2.4
227.03488	7.7
242.02202	4.2
243.02968	32.0
244.03358	3.3
255.03004	16.6
256.03339	1.7
257.04684	4.1
270.01563	4.0
271.02490	45.8
272.03015	5.4
283.05774	0.8
285.04013	8.7
286.04678	2.6
287.05551	1.1
298.05365	0.7
299.01971	73.6
300.02676	26.5
301.03110	2.1
307.08157	1.0
313.03668	0.8
314.04327	58.0
315.05090	100.0
316.05453	9.1
357.06323	0.9
357.13498	3.9
373.11490	1.7
373.22510	3.4
395.69788	0.6
399.14279	1.3
519.10754	43.0
519.27661	2.5
520.11145	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59886	0.6
59.01252	5.4
61.98724	1.0
71.01253	4.5
73.02833	2.4
80.33483	0.6
80.59474	0.5
84.45593	0.5
85.02838	4.5
87.00746	0.8
89.02302	1.0
89.78274	0.5
93.03353	1.8
95.01269	0.7
99.00792	0.7
101.02328	2.4
104.66676	0.5
108.02049	2.3
109.02824	1.2
111.91174	0.5
113.02335	1.6
117.03322	2.8
118.03617	0.6
119.04912	6.5
121.02861	5.6
122.03678	2.8
123.00797	1.8
123.04425	1.4
124.01563	1.3
125.02356	0.6
133.02872	2.1
133.06479	2.1
134.03647	1.7
135.04437	1.9
136.01569	83.7
137.02036	2.6
145.02869	9.5
146.03317	0.8
149.06023	0.7
150.03140	1.9
151.03923	100.0
152.04259	4.5
155.20055	0.6
160.05205	1.0
161.00014	0.5
161.02400	4.6
161.04494	1.9
161.06004	5.3
162.03156	1.6
163.03941	7.6
164.04414	0.7
166.02637	0.6
175.03966	0.8
175.07576	2.3
177.05533	2.9
178.02652	10.3
178.99757	0.9
179.03398	1.4
179.92952	0.5
180.04228	2.2
187.03966	0.9
191.05566	9.0
193.05003	17.7
195.06538	2.2
205.05025	5.7
235.06110	2.3
241.05127	0.6
262.04422	0.6
265.07175	6.8
271.02420	0.7
323.07806	3.0
325.09213	0.9
342.11176	3.7
357.13449	76.5
358.13705	9.7
493.09515	0.8
519.15485	2.8
520.10339	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	519.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68468	0.3
56.11153	0.3
57.03308	0.7
59.01252	13.0
61.98697	2.1
65.65836	0.3
69.27989	1.2
69.28408	2.0
71.01255	9.6
72.99184	1.4
73.02815	3.5
75.00747	0.6
83.01265	1.5
85.02834	3.5
85.99973	0.4
87.00746	0.8
88.18066	0.3
89.02319	5.9
95.01260	0.4
96.95913	0.5
97.00439	0.3
99.00755	0.9
101.02329	6.5
102.02695	0.4
103.03899	1.0
109.04362	0.3
113.02330	3.0
117.03350	30.1
118.03683	1.3
119.03423	1.4
119.04911	9.6
121.02827	0.6
121.10127	1.4
123.04398	1.6
125.02337	1.4
131.03407	1.6
133.02850	1.1
134.03635	3.7
135.04471	0.6
137.02374	1.3
143.03426	0.5
145.02858	100.0
146.03192	4.5
149.04434	1.3
149.05977	1.2
151.87857	0.4
152.07062	0.4
153.05473	2.4
161.02322	2.3
161.04469	1.4
161.05966	0.8
163.03922	14.4
163.05963	2.3
164.04420	0.8
165.09106	4.8
166.09560	0.4
167.03279	0.4
175.03926	0.7
176.01038	0.5
177.01826	0.7
177.05504	1.3
178.02652	2.2
179.03224	0.4
179.07065	1.0
191.03349	0.5
191.05580	0.7
193.04997	7.4
205.05038	0.9
205.07068	0.8
235.06128	0.6
265.07037	0.5
271.02451	0.4
289.07312	0.4
293.08719	1.7
307.08292	0.5
313.16577	0.6
315.03693	0.3
343.21198	0.8
375.27435	0.5
449.91141	0.4
459.22333	1.3
519.18628	43.1
519.24438	3.2
519.31622	1.7
520.18872	7.0
520.25378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1874
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01772	2.3
57.03316	2.4
58.00463	1.8
59.01253	34.7
60.01601	1.0
61.98710	4.5
70.41435	1.1
70.41760	1.1
71.01257	36.4
72.99174	4.2
73.02815	9.3
75.00746	1.0
81.03362	0.7
81.31815	0.7
82.35416	0.6
83.01254	5.7
85.02831	14.8
87.00758	2.6
89.02319	17.6
89.02834	1.1
92.61527	0.6
93.03352	2.6
95.01277	2.2
97.02831	1.1
99.00780	2.9
101.02322	22.8
101.32823	0.8
109.02856	3.9
111.00768	1.9
113.02328	10.9
116.96170	0.6
117.03351	24.7
118.03693	1.7
119.03435	3.0
119.04921	7.8
121.02850	13.8
122.03697	3.6
123.04419	4.5
125.02341	4.1
131.03423	3.0
132.02063	7.5
133.02850	9.6
134.03674	6.1
135.04413	8.0
136.01530	0.7
136.05225	0.9
137.02364	1.9
139.03992	0.9
143.03413	0.9
145.02859	81.8
146.03185	4.4
147.04427	1.8
149.02379	2.1
149.04514	3.7
149.05945	1.4
150.06691	1.1
151.00298	0.8
153.05487	4.9
159.02890	0.9
160.01575	25.1
161.02354	25.8
161.04372	3.6
161.05844	1.0
162.02771	1.1
162.06711	0.8
163.03917	15.8
163.06059	0.8
163.07558	0.8
164.04561	2.3
165.05473	1.6
165.07741	1.0
165.09135	20.1
165.10469	1.3
166.06303	2.5
166.09499	0.8
167.03389	1.1
173.67328	0.7
175.03929	27.3
175.92140	0.7
176.01102	1.1
176.04398	1.9
177.05505	1.7
179.03442	2.2
179.07045	1.1
180.04192	0.7
180.07837	2.2
181.04985	0.6
181.08614	19.8
182.09045	0.8
190.02696	0.8
191.03461	2.3
191.05565	1.9
193.05008	6.8
195.06670	1.7
203.07123	0.9
205.05064	2.4
206.05728	1.9
209.11823	1.5
221.08171	1.3
223.06139	2.7
223.09760	1.2
237.07793	1.2
265.07224	7.3
267.10989	1.0
281.08231	2.5
282.08694	1.0
293.08813	5.1
295.08344	1.2
313.16196	0.8
325.09665	1.2
337.09317	16.2
338.09909	1.6
339.12610	1.5
342.11050	25.0
343.11591	4.9
357.13422	41.4
358.13831	4.6
373.22131	0.8
444.38373	0.7
459.22580	1.4
519.18884	100.0
519.31683	3.2
520.19232	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	519.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38354	1.1
52.70438	1.1
55.01757	1.8
57.03319	2.5
58.00468	2.6
59.01252	82.5
61.58853	1.3
61.98720	5.6
62.38403	1.1
69.31733	1.7
69.32140	7.6
71.01254	40.5
71.12473	1.1
72.99182	22.0
73.02819	23.0
75.00741	1.4
81.03321	1.3
83.01262	2.6
85.02826	16.2
87.00735	6.3
89.02319	28.9
92.73637	1.1
92.95013	1.2
95.01235	2.4
97.02836	1.6
99.00757	4.6
99.04430	1.4
101.02328	45.4
103.03886	13.6
109.02848	1.5
113.02343	11.4
115.03913	2.3
117.03338	9.7
119.03379	8.2
119.04926	2.2
121.10128	1.3
123.04365	2.3
125.02355	7.0
125.03132	1.2
127.03907	1.4
131.03415	13.2
132.02068	20.1
133.02841	4.4
134.03636	31.7
134.13333	1.1
135.04370	4.0
137.02350	3.4
139.03871	1.3
142.74968	1.2
143.03377	7.9
145.02856	25.9
145.04913	2.4
146.03223	1.5
148.05168	2.6
149.04532	8.0
149.05801	5.7
151.03900	2.4
153.05403	1.6
159.02974	1.3
160.01572	90.7
161.02359	13.3
161.04413	9.6
163.03899	3.3
163.06042	29.0
163.07437	1.1
164.01115	1.3
164.06377	2.0
165.09122	2.4
165.12769	6.6
175.03925	97.2
176.04300	7.5
177.05438	2.2
178.02626	1.6
179.03403	4.7
191.05499	2.1
191.07057	4.1
193.04997	31.2
205.05173	1.8
205.07080	10.1
207.06552	1.8
235.05980	6.5
237.69160	1.6
265.07074	1.8
281.06915	1.9
293.08838	3.5
327.18097	8.4
327.25351	1.8
328.18607	1.5
339.25491	1.9
357.26523	2.1
375.27435	2.8
404.80081	1.3
410.33255	1.2
459.22433	5.3
519.18738	100.0
519.31171	24.6
520.19000	19.8
520.31793	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	519.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12946	0.5
57.03336	0.8
59.00956	1.1
59.01250	20.6
61.98698	4.9
69.28584	1.8
69.29018	2.3
71.01255	7.3
72.99185	1.0
73.02822	6.3
75.00742	2.3
81.54510	0.5
83.01228	1.0
85.02818	4.4
87.00732	1.3
89.02309	2.6
95.01267	0.8
99.00773	0.8
101.02317	4.7
103.03886	1.0
105.03285	0.6
108.02094	0.7
108.04400	1.3
109.02807	0.6
109.04810	0.4
111.00761	0.7
113.02326	2.1
117.03361	10.9
119.03360	0.5
119.04932	3.4
121.02831	3.1
122.03634	4.4
123.04388	1.3
124.01511	0.9
125.02301	1.3
125.03223	0.6
132.02068	19.1
133.02931	4.2
134.03632	19.1
135.04393	1.7
136.01544	0.9
136.04935	0.4
137.02347	2.5
137.05972	1.4
140.13544	0.4
145.02859	29.8
146.03294	1.0
147.04385	0.9
149.02409	0.6
149.06013	2.8
150.05486	1.2
151.03906	4.6
153.05457	0.7
154.02679	0.6
160.01573	88.8
161.02213	8.0
161.04460	1.1
161.05942	1.0
162.03088	0.5
163.03938	5.0
163.06032	0.9
163.07599	0.7
164.04544	1.0
166.06265	33.5
167.03439	1.0
167.06650	2.1
175.03920	100.0
176.01076	1.3
176.04253	6.0
177.01831	1.0
177.05542	0.5
178.02600	1.3
179.03395	1.8
179.07100	1.0
181.05092	2.8
181.08629	18.3
182.09033	1.3
191.03438	1.4
191.07072	1.0
192.00224	0.5
192.04039	0.5
193.04993	16.0
194.05258	0.9
195.06583	5.3
205.05077	1.2
209.11778	0.6
211.05885	0.5
217.04999	1.2
235.06075	0.8
267.41684	0.6
277.07156	1.0
286.25085	0.5
307.08505	0.6
311.07892	0.7
319.07892	0.6
337.09277	55.8
338.09717	6.1
339.09991	0.8
343.10275	0.8
375.27585	0.6
399.23663	0.5
459.22525	1.3
501.23303	0.7
504.16873	0.9
519.18829	52.3
520.19275	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	519.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42584	1.8
55.01762	2.3
57.03315	3.9
59.01252	100.0
61.98699	16.7
63.45278	2.1
69.67938	7.3
69.68348	4.2
71.01254	58.3
72.99186	21.5
73.02824	16.7
75.00754	2.2
82.26294	2.1
83.01273	4.4
83.76599	2.2
85.02830	16.0
87.00753	2.4
89.02318	49.4
91.20494	2.0
93.19001	1.9
95.01219	2.2
97.02850	4.1
97.06462	2.9
99.00760	10.3
101.02327	30.9
101.05959	2.2
108.52523	1.8
109.02860	2.4
113.02335	12.7
117.03380	5.0
119.03379	5.9
121.10127	8.8
123.04400	7.3
125.02332	15.5
131.03403	14.9
132.02110	2.2
133.02859	4.3
133.92360	1.9
134.03630	4.9
135.04449	3.5
137.02383	3.5
140.83493	2.6
143.03430	3.5
145.02852	14.6
149.04477	29.3
151.03903	3.6
153.05470	4.7
160.01596	10.6
161.02373	14.8
161.04500	9.7
163.03900	5.0
163.06021	5.7
165.09146	8.3
165.12776	2.8
175.03931	13.5
177.01813	2.8
179.03407	2.2
180.07909	2.3
186.52306	2.3
191.05566	8.1
193.05002	6.8
205.05000	2.8
223.09714	5.0
233.06616	3.0
233.38467	1.9
278.91757	2.0
293.08801	12.8
293.11661	2.0
327.18146	6.6
357.26437	7.1
375.27594	5.2
459.22397	5.2
489.19171	5.2
501.19446	2.5
519.19293	19.3
519.31866	60.0
520.31940	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	519.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.0
57.03310	3.6
58.00485	3.2
59.01254	100.0
61.75925	1.5
61.98700	17.0
66.23924	1.3
69.03336	2.3
70.83822	4.3
71.01259	80.4
72.99181	7.1
73.02818	22.5
81.06989	1.7
83.01254	13.2
83.18745	1.5
85.02824	29.3
87.00762	4.8
89.02324	59.0
90.02709	1.8
91.21375	1.5
95.01280	3.1
97.02827	4.3
99.00774	6.4
101.02319	54.8
103.03909	5.8
108.04424	13.8
111.00757	1.8
113.02329	21.6
116.16172	1.5
117.03366	6.3
119.03414	7.9
119.04909	5.6
121.02837	3.5
121.10132	20.7
122.03614	1.8
123.04433	8.7
125.02361	14.2
129.01894	1.7
131.03404	15.9
132.02083	2.2
133.02853	4.9
134.03685	3.4
135.04427	3.0
137.02373	2.3
138.01965	1.5
143.03403	5.6
145.02820	17.7
145.04826	2.1
147.83710	1.5
148.05247	2.9
149.02417	1.5
149.04465	30.8
150.05519	8.3
151.00296	4.4
153.05487	15.9
159.02884	2.8
160.01608	9.8
161.02364	14.2
161.04449	13.8
162.10864	1.4
163.03944	3.0
163.06056	15.4
163.07402	2.4
164.04742	2.1
165.09135	77.2
166.09464	4.7
175.03972	11.9
176.01059	2.9
177.01854	2.6
181.04997	1.7
181.08627	1.6
190.02679	3.8
191.03564	3.5
191.05548	7.7
191.36461	1.5
193.05037	4.3
205.05037	4.8
205.07082	4.2
247.08217	1.6
271.06183	14.1
281.13391	1.5
293.08768	21.6
313.16574	36.1
313.19977	2.7
314.17050	2.6
337.09262	7.3
357.13419	9.6
373.22406	2.4
444.77014	1.9
459.22427	53.7
460.22723	7.6
519.18628	20.4
519.24591	3.7
519.32373	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	519.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.8
59.01252	87.2
61.98704	12.5
69.03304	2.0
69.66779	6.6
69.67186	3.4
71.00897	3.2
71.01259	50.8
72.99184	16.1
73.02819	10.3
81.06953	4.6
83.01257	3.6
85.02847	11.1
87.00745	3.2
89.02321	59.7
97.02822	3.1
98.20488	3.2
99.00761	4.8
101.02325	29.0
102.02648	1.6
113.02326	11.4
117.03338	7.0
119.03391	5.4
119.04910	1.7
121.02807	1.4
121.10124	39.1
122.10429	1.7
123.04404	6.3
125.02348	11.6
131.03387	27.2
133.02852	13.6
134.03653	2.2
135.04445	4.3
138.01862	2.3
143.03441	3.8
145.02844	16.4
149.04459	31.4
151.03902	1.9
153.05450	4.5
160.01535	1.9
161.01077	2.2
161.02367	33.1
161.04391	2.5
162.02617	1.7
163.03922	2.7
163.06116	2.1
163.07558	2.1
165.09123	100.0
166.09454	6.2
170.96634	1.6
175.03903	2.8
177.01819	2.1
179.03517	2.3
181.08698	2.3
191.05502	14.9
193.04921	3.0
223.09755	2.9
254.46156	1.5
293.08911	14.2
293.11893	3.2
337.09406	2.0
357.13165	3.8
357.26578	2.0
375.27710	2.5
459.18848	4.5
489.19028	4.7
519.14954	13.7
519.20319	5.7
519.31854	23.7
520.31909	4.0
539.26154	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.1
55.86014	1.0
57.03319	2.3
58.00463	3.3
59.01254	100.0
59.21398	1.2
60.01570	1.6
61.50283	1.0
61.98714	6.3
69.40044	3.4
69.40469	5.4
71.01254	41.5
72.99184	16.4
73.02438	2.1
73.02821	25.4
83.01245	3.4
85.02824	18.8
87.00756	7.2
89.02327	28.9
95.01271	2.1
97.02848	1.6
97.06484	1.6
98.20615	1.9
99.00733	2.9
101.02324	44.6
102.27014	1.1
103.03894	14.0
111.00751	1.2
111.49414	1.2
113.02358	9.8
115.03914	4.4
117.03365	8.9
119.03395	11.7
119.04867	2.0
123.04424	2.4
125.02313	5.1
127.03940	1.8
131.03407	14.6
132.02069	19.3
133.02809	4.5
134.03635	26.9
135.04391	4.4
137.02322	1.9
143.03403	7.7
143.59236	1.4
145.02863	16.4
145.04979	5.6
148.05180	1.4
149.04471	5.4
149.05925	3.3
151.03886	1.3
153.05537	1.8
159.02853	2.0
160.01578	90.8
161.02364	11.6
161.04445	5.7
163.03894	2.7
163.06042	35.1
165.12798	4.9
175.03928	84.9
176.01088	2.1
176.04369	5.1
178.02629	1.5
179.03416	5.1
180.04266	1.9
191.05515	1.6
191.07045	2.2
193.04987	22.9
195.06636	2.2
205.07088	14.0
207.06674	1.5
219.65146	1.3
235.06038	6.4
281.06747	1.4
293.08823	3.0
327.18155	6.3
327.21622	1.3
357.26321	3.1
375.27588	4.3
459.22391	10.8
502.92221	1.2
519.18774	82.4
519.31226	21.0
520.19135	16.2
520.32263	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2602
Annotation	Lotusine F
Peak:m/z	Relative Intensity
51.73367	0.2
55.01773	0.2
57.03314	0.5
59.01259	2.9
61.98697	0.4
62.76463	0.2
71.01261	2.1
72.99189	0.2
73.02821	0.8
78.39819	0.2
83.01272	0.6
85.02823	1.4
87.00761	0.2
87.20333	0.2
89.02322	0.5
89.03848	0.2
98.20560	0.4
99.00745	0.3
101.02320	1.8
110.19456	0.2
113.02366	0.8
117.03352	27.4
118.03672	1.2
119.04920	5.9
120.05244	0.4
121.02922	0.3
123.04393	0.3
125.02340	0.5
134.03610	0.2
135.04489	0.2
145.02856	100.0
146.03197	5.4
154.82773	0.2
163.03923	5.5
164.04289	0.3
175.03947	0.4
180.07855	0.4
209.04428	0.3
217.43163	0.2
223.09688	0.5
223.13330	0.5
264.62561	0.2
357.26401	0.6
375.27356	0.3
459.14523	0.3
464.86093	0.2
486.16843	0.2
489.19461	1.0
501.19019	0.4
519.25928	56.1
520.26276	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	519.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.0
57.03312	0.8
57.85226	0.3
58.00470	0.6
59.01253	27.1
60.01593	0.4
61.98695	1.3
69.03331	0.3
69.34007	2.3
71.01257	11.2
72.99194	0.6
73.02823	2.8
75.24429	0.3
83.01279	1.8
85.02830	5.3
86.03135	0.4
87.00759	0.6
89.02322	3.2
95.01249	1.0
97.02823	0.5
98.20512	0.5
99.00751	1.3
100.12929	0.3
101.02323	7.3
111.00764	0.4
113.02321	3.8
119.03390	1.0
123.04374	0.6
125.02345	1.5
137.02321	0.4
152.03445	0.8
153.05478	1.0
160.92302	0.3
161.04482	1.4
185.11769	1.1
191.14204	0.4
211.17213	0.3
224.07964	0.3
297.24213	0.4
309.24292	1.9
312.81439	0.4
327.25360	4.4
328.25650	0.6
329.44431	0.4
339.25424	4.1
340.25894	0.6
355.25012	0.5
357.26431	12.0
358.26849	1.6
375.27472	0.7
383.35602	0.3
441.28650	0.6
460.86954	0.3
489.30786	1.2
501.30768	1.0
502.30298	0.4
519.31738	100.0
520.32056	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	519.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.0
56.69650	0.3
57.03326	1.0
58.00471	1.0
59.01252	8.4
61.98705	0.4
63.20615	0.3
64.84391	0.3
69.46104	2.0
71.01257	8.5
71.04892	0.5
72.99183	0.5
73.02821	2.4
83.01276	1.7
85.02823	4.0
85.12884	0.3
87.00769	0.5
89.02333	2.1
95.01265	0.7
96.62916	0.3
97.06506	0.4
99.00759	0.7
101.02328	4.1
113.02333	2.2
113.09609	0.5
115.07560	0.3
117.03355	2.8
118.65102	0.3
119.03386	0.4
119.04907	0.5
125.02364	0.7
129.01848	0.4
145.02863	9.5
146.03223	0.7
149.05980	0.3
159.02844	0.3
163.03923	0.4
169.16827	0.2
185.11734	1.4
204.59016	0.3
214.32394	0.3
297.24234	0.7
309.24225	1.3
311.25867	0.8
321.24255	0.7
323.26028	1.2
325.23962	0.6
327.25415	12.4
328.25726	2.1
339.25381	9.4
340.25870	1.3
341.26984	5.3
342.27130	0.5
355.24890	0.7
357.26456	23.4
358.26840	3.3
371.23233	0.3
390.80161	0.3
489.30606	1.3
490.31299	0.4
501.30878	0.9
519.31842	100.0
520.32190	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	519.3176
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01749	0.9
57.03326	0.8
58.00461	0.5
59.01255	10.5
69.66714	1.1
71.01259	8.7
71.04912	0.3
72.99170	0.7
73.02837	1.3
83.01266	1.1
85.02823	3.6
86.50804	0.3
87.00761	0.4
89.02319	3.4
94.52612	0.3
95.01286	0.7
99.00741	0.5
101.02334	4.8
103.68235	0.3
113.02348	2.0
119.03412	0.7
125.02273	0.3
141.12807	0.3
185.11794	1.3
297.24442	0.4
297.55069	0.3
309.24429	1.1
311.25839	0.4
321.24164	0.4
323.26077	0.3
325.23901	0.3
327.25421	6.0
328.25607	0.8
339.21289	0.5
339.25385	7.3
339.29269	0.5
340.25650	1.1
341.26846	1.5
355.25137	0.4
357.26474	16.1
358.26862	2.2
489.30756	0.4
501.30792	1.2
502.31296	0.5
519.31763	100.0
520.32098	20.7
520.40118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3177
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01761	2.5
57.03319	2.1
58.00478	0.7
59.01253	19.4
60.01595	0.3
61.98698	2.1
63.90751	0.4
67.01788	0.4
71.01258	21.6
72.01614	0.5
72.99184	1.3
73.02820	6.2
75.00748	0.5
83.01260	4.8
85.02825	12.8
85.03351	0.6
85.06506	0.4
85.99962	1.6
87.00755	1.1
89.02325	4.1
95.01259	2.3
97.02844	0.4
99.00743	2.4
101.02329	13.6
111.00767	1.1
113.02344	6.4
117.03353	1.7
119.03402	1.2
119.04915	0.5
124.92899	0.4
125.02349	2.6
127.08095	0.4
142.33893	0.4
145.02861	5.1
146.84387	0.4
161.04483	0.9
162.44173	0.4
220.64952	0.4
224.61859	0.4
313.27551	1.4
339.25522	1.2
357.26480	1.5
375.27621	1.1
519.31805	100.0
520.26233	0.8
520.32117	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	520.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	18.8
61.18581	2.1
62.51315	2.1
63.14205	2.5
65.00203	3.0
65.99703	5.9
69.03300	2.7
69.64689	3.9
69.65099	8.2
71.01242	12.2
75.32557	2.2
75.35054	2.7
85.02856	4.6
89.02321	9.8
95.01276	3.2
95.77640	2.2
101.02303	3.1
107.01286	6.9
109.02833	17.4
109.58576	2.3
111.00759	5.0
113.02359	4.4
119.04903	3.0
121.02850	8.9
123.00797	9.2
124.01527	3.3
125.02336	3.7
133.02829	4.0
134.02402	5.6
135.00778	5.2
135.04309	3.6
137.02335	12.8
139.03955	3.1
145.02823	11.2
147.04379	3.3
148.01549	24.4
149.02336	13.0
151.00243	19.2
152.01074	5.3
159.04424	7.9
160.05200	17.3
161.02390	5.1
161.04657	2.6
161.06009	5.8
162.01909	15.8
162.03111	3.6
163.00290	7.6
163.02643	3.6
163.03926	9.5
164.03433	10.5
164.04692	4.0
167.03476	3.5
173.06017	5.4
174.03136	2.6
175.00313	3.7
175.07597	11.5
176.03505	2.6
177.01855	41.1
177.05531	5.9
178.06343	4.6
178.99785	8.0
179.03528	2.9
186.01862	10.1
187.03925	2.5
188.03516	2.2
189.01770	4.9
190.01373	6.7
191.02068	3.1
191.03621	3.2
195.46115	2.2
199.03986	4.1
202.01297	3.4
202.99774	8.0
204.02986	32.7
205.01355	4.9
211.03796	2.5
215.03465	5.1
227.03465	5.0
230.00894	14.2
233.04535	4.4
241.05022	4.5
243.02979	11.9
245.04401	4.1
255.02872	5.4
267.03058	3.9
270.01654	3.6
271.02512	28.7
272.03049	8.6
273.04227	4.7
287.01941	5.2
288.02524	3.2
289.03378	2.9
294.04172	6.3
299.01910	27.2
300.02563	11.7
310.03671	6.7
311.07779	5.3
313.03381	14.2
315.04269	2.7
316.02237	9.5
317.02924	22.9
318.03568	2.9
322.03540	14.6
329.08896	3.8
329.09659	4.8
329.13922	53.9
339.03793	18.7
340.00827	4.9
340.04599	43.4
343.06674	7.4
355.06650	13.7
357.04691	6.8
358.05707	11.0
359.10944	4.0
374.13788	3.6
384.09378	37.1
385.09930	3.1
389.16064	8.2
410.07291	38.0
411.07690	5.2
462.07928	5.9
479.08432	20.1
480.08838	3.4
502.09943	33.4
503.10019	3.7
520.10980	100.0
521.11261	19.1
521.20349	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	520.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	21.1
61.98701	3.0
65.00208	3.7
65.99723	4.1
69.18317	1.9
69.94514	10.2
71.01263	17.0
73.02829	2.9
75.79488	2.1
80.13329	2.0
83.01247	2.4
85.02836	5.1
87.00722	2.4
89.02328	7.9
93.03338	3.6
95.01279	4.8
97.02840	2.7
98.19937	3.0
98.78142	1.9
101.02353	8.0
105.82139	1.9
107.01272	7.2
108.02045	2.5
108.08109	5.3
109.02845	18.5
113.02341	4.7
116.28209	2.1
117.03340	14.2
119.04915	16.3
121.02847	9.2
123.00753	5.6
123.04451	2.1
124.01553	6.2
125.02336	4.9
133.02853	8.1
133.06517	4.3
134.02359	5.4
135.00766	5.5
137.02345	19.4
139.00298	2.0
139.03908	2.2
145.02864	61.4
147.00829	3.3
147.03174	2.4
147.04329	4.0
148.01555	27.1
149.02356	13.3
151.00281	14.1
151.03972	2.5
152.01027	4.4
152.07063	6.4
153.01810	5.9
158.02310	2.6
159.04382	3.7
161.02383	21.4
161.05965	11.5
162.01884	21.4
162.03165	13.1
163.00278	8.1
163.02637	3.0
163.03905	26.9
164.03464	11.4
165.01834	4.8
166.99762	2.5
167.02109	2.0
167.03357	3.9
169.01328	2.1
175.03839	4.1
176.01128	3.6
176.03461	5.0
177.01862	61.4
177.05481	7.2
178.99800	12.4
179.03436	4.9
186.01874	10.6
187.03925	4.7
190.01346	7.4
191.02145	7.8
192.00592	3.8
193.01398	3.3
193.05078	2.3
196.06110	4.3
199.04002	3.1
202.01379	3.2
202.99779	10.3
203.01996	4.4
204.02963	40.8
205.03372	4.7
205.05049	12.7
211.03941	2.3
215.03403	4.7
217.05115	2.8
227.03514	8.6
230.00835	16.6
231.01208	2.5
235.06071	8.3
241.04900	3.9
242.02052	3.0
243.02946	14.3
245.04446	3.6
247.01120	3.3
250.05112	2.6
255.03067	6.4
256.03491	2.4
257.04572	2.3
265.07095	21.7
269.04581	3.4
270.01517	3.2
271.02463	28.7
272.03076	5.5
273.04019	7.0
278.04431	2.0
283.02359	2.6
284.03333	3.9
285.04019	7.7
287.01932	2.8
288.02771	2.7
294.04233	6.7
299.02002	31.2
300.02380	12.0
301.03369	3.5
310.03497	4.7
311.07791	3.8
312.02405	3.3
313.03519	14.3
314.03708	2.4
316.02148	23.4
317.02911	25.3
322.03461	17.1
324.05057	2.8
325.09387	4.7
329.08890	4.5
339.03860	21.4
340.00711	4.6
340.04544	40.5
341.05222	3.8
343.06647	5.1
355.06927	11.6
357.04758	10.6
358.05594	11.4
358.11115	3.0
359.11011	2.9
359.15012	7.6
374.13593	3.1
384.09366	35.1
384.14020	3.2
385.09647	3.8
389.16049	8.4
389.21552	2.5
410.07306	28.8
411.07724	3.6
435.09103	4.3
453.09866	2.3
461.20660	2.2
462.07773	4.1
479.08475	13.6
480.08569	2.4
502.09906	40.3
503.09320	2.6
503.15982	19.0
515.35187	2.2
520.10974	100.0
521.10803	14.8
521.20740	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	520.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34608	0.1
59.01253	1.7
61.98708	0.4
70.00365	0.6
71.01258	1.1
72.99207	0.2
73.02824	0.3
83.01278	0.2
84.17719	0.1
85.02812	0.4
87.83191	0.1
89.02309	0.4
94.91313	0.1
101.02319	0.5
107.48125	0.1
108.02071	0.7
109.02829	0.3
113.02352	0.4
115.17094	0.2
119.03396	0.2
119.57660	0.1
121.02847	0.3
122.03638	9.2
123.00756	0.2
123.04391	0.6
125.02355	0.3
133.02881	0.3
135.04428	0.3
137.02345	0.2
150.03197	0.2
152.03453	100.0
153.03796	4.0
159.04445	0.3
160.05220	0.5
161.02391	1.1
161.04501	0.2
161.05978	0.2
164.04701	0.3
167.03455	0.2
173.05995	0.3
175.07623	0.5
177.05492	0.2
191.05487	0.2
191.07156	0.2
313.11166	0.1
323.07831	0.4
329.10345	0.1
329.13913	2.4
344.12625	0.4
359.14999	1.5
521.20978	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	520.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79666	0.3
59.01262	3.8
61.98706	100.0
64.97083	0.3
69.31856	0.7
69.32256	1.8
71.01257	1.4
73.02831	0.4
83.01287	0.8
85.02847	0.7
87.53529	0.3
89.02315	1.0
101.02349	1.1
108.02053	0.3
113.02353	0.5
117.03368	0.3
121.02878	0.4
125.02331	0.4
131.03461	0.4
134.03659	1.2
135.04413	0.5
137.02313	0.5
137.05962	0.4
138.06323	0.3
145.02856	0.9
146.03152	0.6
149.05960	0.4
151.03879	0.7
161.02463	0.5
163.03952	0.7
164.04536	0.4
177.01820	0.3
178.02711	0.8
181.04996	1.8
182.05394	0.9
191.14204	0.3
193.05017	3.1
197.88435	0.3
211.43857	0.3
225.15036	0.4
227.12917	0.7
237.07568	0.5
287.06906	0.4
343.10638	0.3
357.13412	0.5
358.13998	1.0
378.33902	0.3
465.60242	0.4
470.51956	0.4
520.15417	1.0
521.25653	1.6
521.33276	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06034	0.3
59.01244	1.1
61.98709	0.4
66.18058	0.3
71.54050	0.4
74.24664	0.3
78.95779	42.8
96.96839	5.9
124.14774	0.3
135.71219	0.3
148.05238	1.8
150.97940	1.6
152.99495	100.0
153.99832	1.5
163.07552	1.2
171.00587	4.2
172.53955	0.3
279.23370	1.0
280.23660	0.4
294.53629	0.3
311.44098	0.3
376.38214	0.4
409.75198	0.3
433.23605	20.5
434.24008	2.9
520.26971	3.8
521.27246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1667
Annotation	Albidoside
Peak:m/z	Relative Intensity
59.01257	12.5
61.98706	7.3
69.32847	4.1
69.33271	1.8
71.01257	9.7
72.99191	1.3
73.02824	2.0
75.00763	1.6
79.30207	0.7
85.02808	3.6
87.00791	0.9
89.02323	5.4
93.03362	2.2
98.19846	1.4
101.02322	4.9
108.02082	0.9
109.02845	2.7
111.00793	2.7
113.02320	2.8
115.00306	0.8
117.03358	24.3
118.03709	1.7
119.03370	1.5
119.04920	13.3
120.05276	0.9
121.02850	2.4
122.03638	4.1
123.04475	1.8
125.02347	2.7
131.03404	0.9
133.02867	2.3
135.04428	2.3
137.02394	1.5
143.03435	0.7
145.02858	100.0
146.03165	5.7
149.02367	2.3
149.04460	1.5
150.03134	28.0
151.00352	1.0
151.03606	1.7
153.05472	1.5
158.98895	0.8
161.02400	4.6
161.04430	1.7
161.05954	1.2
163.03915	12.5
165.05489	43.6
166.05832	1.9
177.01714	0.8
179.03386	0.9
181.04916	0.7
187.03876	1.6
191.05542	0.9
205.04948	1.1
227.07069	1.8
247.06194	1.0
270.01648	1.2
271.02411	2.8
276.49557	0.7
287.01813	1.9
287.05002	0.8
289.07083	1.0
307.08240	56.1
308.08533	5.2
316.02295	6.0
323.07611	1.0
329.16080	0.8
344.12491	0.9
359.14880	2.4
461.20096	3.2
521.09381	2.7
521.16394	26.4
522.09607	1.1
522.16394	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	521.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.6
59.01254	10.6
61.98705	5.5
69.26302	4.6
71.01254	7.8
72.99191	0.6
73.02830	1.0
82.23590	0.5
85.02845	1.6
89.02320	6.8
91.01773	0.8
93.03342	1.0
95.04903	0.8
101.02341	2.2
108.02090	0.5
113.02341	1.5
119.01296	1.6
119.05015	0.5
121.02866	2.7
122.03628	0.9
123.04415	95.6
124.04752	3.3
131.03424	0.8
134.03629	1.0
135.04422	1.1
138.03172	1.5
142.76065	0.6
147.00800	2.0
149.02368	7.5
149.04391	1.0
152.00984	0.8
153.05487	100.0
154.05844	5.6
160.01579	0.9
161.02359	0.9
161.33620	0.5
163.04019	1.2
164.04718	7.9
165.01892	0.7
168.04227	1.9
173.06033	0.5
175.00296	12.2
175.03940	2.1
176.00697	1.1
177.01878	1.0
177.05507	0.7
179.07045	3.8
183.06544	1.9
187.04100	0.6
190.02649	37.0
191.03072	2.6
205.05006	49.1
206.05373	4.3
207.02881	0.6
208.03764	0.9
209.04572	0.8
219.06569	0.7
220.07391	1.2
223.06067	10.8
223.08093	0.9
227.12608	0.6
229.35327	0.5
235.09706	1.2
247.06212	0.9
250.93332	0.6
265.06863	0.7
311.09305	1.9
315.10876	1.2
326.11441	0.7
337.09271	1.6
341.10132	0.8
341.13889	0.7
352.08035	0.7
367.10330	64.7
368.10696	6.9
371.14911	9.3
425.98956	0.5
521.16644	2.9
521.26093	1.3
521.33398	1.9
522.17114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1669
Annotation	Albidoside
Peak:m/z	Relative Intensity
55.01750	0.9
58.00446	1.0
59.01256	15.7
69.52070	2.5
69.52494	3.4
71.01257	14.1
72.99204	2.2
73.02819	2.0
73.52878	0.8
74.98993	1.1
75.00758	0.9
83.01268	1.2
85.02843	3.6
87.00755	1.9
89.02322	8.1
93.03329	1.5
99.00767	1.6
101.02303	7.0
108.02052	1.1
113.02334	3.5
117.03355	23.7
118.03666	1.1
119.03426	1.6
119.04921	24.5
120.05235	1.5
121.02850	3.1
123.04423	1.2
125.02319	2.2
129.01796	1.0
131.03397	2.4
132.05760	1.2
133.02849	3.6
133.06487	5.3
135.04405	2.8
135.37842	1.0
139.03902	1.0
145.02861	100.0
146.03220	5.4
147.04431	6.5
149.02414	1.4
149.04419	2.2
153.01875	1.4
153.05432	1.2
159.04420	1.5
161.02371	19.7
161.04597	2.2
161.05972	15.6
162.03131	19.5
162.06383	0.8
162.13997	0.8
163.03925	41.2
164.04341	1.6
165.05449	1.4
175.03932	1.5
177.01846	0.9
177.05495	14.5
183.69852	0.9
187.03935	1.8
187.07588	1.5
191.05417	1.1
193.04984	1.0
195.06584	1.7
205.05008	25.8
206.05449	2.5
235.06090	15.3
265.04346	1.8
265.07178	35.0
266.07553	3.6
307.08417	1.7
323.07834	0.9
325.09219	7.2
338.82645	0.9
338.87253	1.1
341.10309	2.5
341.14633	1.0
343.11438	1.4
344.12750	1.9
356.12726	1.8
359.11182	3.8
359.15002	3.9
371.14862	2.6
374.13705	5.0
389.16150	20.6
389.21533	2.9
390.16391	1.7
479.08832	0.9
503.08588	2.1
503.15616	25.1
504.16003	4.9
521.20825	23.5
522.20050	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
56.84740	0.7
57.03328	1.4
58.00469	2.6
59.01253	59.7
61.98703	20.9
69.03332	4.3
69.24257	0.7
69.38176	6.6
71.01258	54.6
72.01557	0.9
72.99198	4.8
73.02812	7.5
75.00732	2.5
81.03330	2.4
83.01266	4.9
84.02039	0.9
85.02830	9.7
86.95753	0.8
87.00771	3.9
87.04399	1.0
89.02322	60.4
93.02763	1.2
93.03345	22.0
94.03683	1.8
95.01252	3.5
95.04880	1.3
97.02827	5.5
98.20551	1.8
99.00755	6.2
99.04387	0.9
101.01694	1.5
101.02328	21.5
103.03854	1.3
107.90292	0.7
108.02054	4.4
109.02834	3.2
111.00746	1.6
113.02329	10.3
115.03884	2.8
119.03416	5.8
121.02852	16.4
123.04414	73.2
124.01579	1.0
124.04694	2.1
125.02340	19.7
126.02645	0.8
127.03903	1.1
131.03400	11.2
134.03629	1.6
135.04352	1.3
135.11729	1.1
136.01559	3.3
137.02353	22.7
138.02759	1.4
143.03374	4.0
145.02846	3.6
145.06313	1.0
148.05186	1.8
149.04459	12.7
151.03899	3.5
152.01073	2.8
153.01881	1.9
153.05487	100.0
154.05826	5.1
159.02904	0.9
160.01523	1.8
161.04485	3.3
161.09583	1.6
162.03114	2.5
163.06017	2.4
163.07449	1.7
164.04674	2.5
167.03355	2.8
167.10689	17.9
175.03897	1.8
177.01836	3.1
177.05505	1.3
178.02536	0.8
179.03331	1.6
179.05540	1.7
179.07033	1.4
179.10707	8.7
180.11038	1.0
183.02872	2.7
189.01881	0.9
191.05540	4.7
193.04987	2.3
195.06598	1.3
197.06091	3.9
205.07066	1.4
205.12387	0.9
227.07097	16.8
228.07495	1.3
232.52962	1.0
233.06639	16.5
281.06665	1.7
293.08795	21.0
294.09067	2.0
315.10904	1.1
315.17996	1.0
341.26941	1.1
344.12573	1.8
359.15018	7.8
359.28052	4.0
367.13867	2.0
413.11075	6.0
434.30426	1.0
452.70441	0.8
461.23792	3.9
461.30722	1.4
477.17307	1.2
478.51215	0.9
520.31531	1.4
521.21338	4.6
521.33417	15.4
522.20935	1.4
522.33319	1.9
536.26666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
56.84740	0.7
57.03328	1.4
58.00469	2.6
59.01253	59.7
61.98703	20.9
69.03332	4.3
69.24257	0.7
69.38176	6.6
71.01258	54.6
72.01557	0.9
72.99198	4.8
73.02812	7.5
75.00732	2.5
81.03330	2.4
83.01266	4.9
84.02039	0.9
85.02830	9.7
86.95753	0.8
87.00771	3.9
87.04399	1.0
89.02322	60.4
93.02763	1.2
93.03345	22.0
94.03683	1.8
95.01252	3.5
95.04880	1.3
97.02827	5.5
98.20551	1.8
99.00755	6.2
99.04387	0.9
101.01694	1.5
101.02328	21.5
103.03854	1.3
107.90292	0.7
108.02054	4.4
109.02834	3.2
111.00746	1.6
113.02329	10.3
115.03884	2.8
119.03416	5.8
121.02852	16.4
123.04414	73.2
124.01579	1.0
124.04694	2.1
125.02340	19.7
126.02645	0.8
127.03903	1.1
131.03400	11.2
134.03629	1.6
135.04352	1.3
135.11729	1.1
136.01559	3.3
137.02353	22.7
138.02759	1.4
143.03374	4.0
145.02846	3.6
145.06313	1.0
148.05186	1.8
149.04459	12.7
151.03899	3.5
152.01073	2.8
153.01881	1.9
153.05487	100.0
154.05826	5.1
159.02904	0.9
160.01523	1.8
161.04485	3.3
161.09583	1.6
162.03114	2.5
163.06017	2.4
163.07449	1.7
164.04674	2.5
167.03355	2.8
167.10689	17.9
175.03897	1.8
177.01836	3.1
177.05505	1.3
178.02536	0.8
179.03331	1.6
179.05540	1.7
179.07033	1.4
179.10707	8.7
180.11038	1.0
183.02872	2.7
189.01881	0.9
191.05540	4.7
193.04987	2.3
195.06598	1.3
197.06091	3.9
205.07066	1.4
205.12387	0.9
227.07097	16.8
228.07495	1.3
232.52962	1.0
233.06639	16.5
281.06665	1.7
293.08795	21.0
294.09067	2.0
315.10904	1.1
315.17996	1.0
341.26941	1.1
344.12573	1.8
359.15018	7.8
359.28052	4.0
367.13867	2.0
413.11075	6.0
434.30426	1.0
452.70441	0.8
461.23792	3.9
461.30722	1.4
477.17307	1.2
478.51215	0.9
520.31531	1.4
521.21338	4.6
521.33417	15.4
522.20935	1.4
522.33319	1.9
536.26666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75417	0.4
53.66252	0.4
55.01750	0.5
56.69205	0.4
57.03322	0.8
58.00479	0.9
59.01253	25.9
61.98703	9.2
63.89480	0.5
68.27474	0.4
68.54478	0.5
69.03330	1.8
69.23621	1.0
69.24030	3.1
71.01254	23.6
72.99194	2.3
73.02824	3.3
75.00760	1.1
76.57893	0.4
76.98754	0.5
81.03334	1.0
83.01261	2.1
85.02835	5.3
87.00744	1.3
89.02322	25.2
93.03342	10.2
95.01267	1.7
95.04902	1.1
97.02823	2.6
98.19823	0.9
99.00759	3.0
101.02325	8.6
107.04901	0.8
108.02050	1.9
108.04420	0.6
109.02835	1.5
111.00771	0.9
113.02331	5.1
115.03873	1.2
119.03396	1.9
121.02855	7.7
122.03638	0.7
123.04414	74.0
124.04758	2.6
125.02343	10.0
126.02683	0.6
131.03424	3.8
134.03609	0.7
135.04445	0.9
135.11719	1.1
136.01570	1.3
137.02338	10.0
143.03389	1.3
145.02852	1.6
148.05249	1.1
149.04480	5.5
151.00244	0.5
151.03911	0.7
152.01062	0.8
153.05482	100.0
154.05827	4.0
160.01578	1.0
161.02393	0.7
161.04451	1.4
161.09610	1.5
162.03128	0.8
163.03955	0.8
163.06050	1.0
163.07629	0.7
164.04742	0.5
167.03371	0.9
167.10696	8.4
167.13733	0.5
175.03914	0.5
177.01822	1.4
177.05475	1.1
179.07079	1.1
179.10687	6.3
183.02931	1.1
189.09087	0.5
190.78175	0.5
191.04010	0.4
191.05547	3.1
193.05026	1.0
195.06523	0.5
197.06041	1.4
199.07562	0.6
203.10695	0.7
223.09645	0.6
227.07092	8.1
228.07529	0.8
233.06598	7.1
251.69232	0.5
281.06561	0.6
293.08774	8.0
294.08984	0.6
307.11810	0.5
315.10812	1.0
341.27026	0.5
344.12534	0.5
359.15085	2.5
359.28009	1.8
367.14066	2.2
413.10855	1.5
461.23721	1.0
461.30789	0.6
477.21252	1.9
520.32214	0.9
521.20764	3.6
521.33160	8.1
522.20374	1.1
522.34100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51678	0.5
55.01690	1.8
55.01928	0.5
57.03260	1.6
58.00414	1.4
59.01187	24.6
59.01518	2.1
61.98648	1.4
70.81948	1.2
71.01186	25.2
71.01611	1.4
72.99112	3.3
73.02821	4.5
75.00718	0.8
83.01261	3.6
85.02818	8.8
87.00677	1.9
89.02317	12.2
89.02831	0.6
95.01286	2.9
97.02796	0.7
99.00684	2.1
101.02323	16.7
102.02616	0.6
108.01958	1.7
109.02840	8.7
111.00689	2.1
113.02339	8.1
117.03271	1.0
119.03382	5.7
119.04803	0.8
121.02747	2.0
122.03552	0.7
123.00673	1.5
123.04324	2.2
125.02258	0.8
129.01752	0.9
131.03314	0.8
133.02835	3.1
135.04430	3.2
137.02238	0.8
143.03343	0.7
145.02893	3.2
149.04376	0.9
151.00183	0.8
152.03462	4.2
153.03702	1.9
153.05428	0.7
159.04469	3.8
160.04860	0.7
161.02361	12.6
161.04373	1.2
163.03793	0.9
164.04716	4.0
166.99712	1.9
172.05106	1.3
173.05992	3.3
177.05415	1.1
179.03535	2.5
179.05373	1.0
179.06915	1.4
187.07588	0.9
189.05411	2.3
189.47389	0.5
191.07008	0.8
194.99211	1.7
201.05356	0.8
202.06201	0.9
202.82176	0.8
203.06976	1.5
205.04790	0.7
205.08554	0.7
213.05289	0.6
221.04587	1.0
235.05965	0.7
240.04144	1.0
241.04956	4.8
242.05327	0.8
253.04935	1.3
255.06670	3.8
265.06903	0.7
267.06552	1.1
268.07343	0.7
269.08069	1.0
279.06573	0.6
281.08154	2.2
283.09760	1.1
295.09811	2.4
296.10565	1.1
297.38690	0.6
299.09244	4.7
300.09558	0.9
311.09290	4.5
311.12604	1.0
312.09659	0.6
313.10898	7.2
314.11096	0.6
323.07681	5.1
324.07932	0.7
326.11584	3.5
327.12079	1.2
329.10355	2.1
341.10187	0.8
341.13861	5.0
342.14389	0.7
343.11996	1.6
344.12625	21.8
345.12973	3.4
359.14996	68.6
360.15356	7.9
374.13589	0.7
389.16055	2.0
503.16043	0.7
521.20410	100.0
522.20746	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	521.2028
Annotation	(-)-Isolariciresinol 3-alpha-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.01744	1.0
55.01747	1.6
58.00463	1.0
59.00992	1.1
59.01256	15.5
65.78564	0.8
65.85850	0.8
69.52111	5.7
70.84039	0.8
71.01257	14.1
72.99164	1.4
73.02808	4.0
74.97649	0.8
83.01254	3.3
85.02838	6.2
85.99973	1.3
87.00748	3.9
89.02301	3.2
91.09764	0.7
95.01267	1.5
99.00751	1.4
101.02335	7.5
111.00729	1.6
113.02325	3.0
119.03382	1.8
121.02833	3.6
133.02856	3.8
134.03632	1.1
135.04410	2.5
145.02827	1.3
147.04340	1.1
159.04451	1.7
161.02342	15.2
161.04399	1.5
164.04718	1.0
165.05437	1.2
177.01686	1.1
179.03467	1.5
179.06969	1.2
224.04881	0.8
240.04349	1.1
251.45555	0.8
267.06473	2.0
268.07309	2.0
269.08145	3.7
270.08887	2.3
280.07327	2.2
281.08191	9.1
282.08878	4.2
283.09689	5.1
284.10358	0.9
293.08075	2.9
294.08713	1.2
295.09677	2.7
296.10300	2.2
299.09268	3.5
300.09784	1.1
302.07730	1.1
311.09177	2.9
312.09781	1.4
314.08090	1.9
314.11575	6.8
315.12314	4.9
326.11600	10.4
327.12341	6.9
329.13892	6.9
330.14355	1.0
341.13876	11.3
342.14200	1.1
343.11902	2.2
355.11847	4.8
356.12289	1.1
369.13495	1.7
385.14932	2.8
412.99576	1.0
473.14569	5.7
474.14569	1.0
476.17096	7.1
477.17334	1.7
488.16916	8.0
489.17282	1.3
491.11850	1.2
491.19272	98.2
492.19577	17.4
503.19382	100.0
504.19638	20.1
521.16632	7.7
522.16821	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	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.8
55.30101	0.5
57.03324	1.0
58.49183	0.6
59.01253	18.3
69.23726	5.2
71.01254	15.8
72.99181	1.3
73.02832	1.8
74.98595	0.7
74.98994	2.5
75.18289	0.6
81.99268	0.7
83.01269	1.4
85.02837	3.2
87.00753	1.2
89.02319	8.7
95.01250	0.8
99.00776	0.7
100.49719	0.6
101.02328	3.7
109.02800	0.7
110.00002	0.7
111.00772	1.1
113.02345	2.4
117.03371	1.5
119.03355	0.7
119.04959	1.7
121.02846	5.0
122.03664	1.1
123.00799	1.4
123.04462	1.2
124.01552	3.2
125.02361	2.2
131.03416	1.5
133.06483	0.8
135.04501	1.0
136.01575	1.0
136.05220	0.8
136.99045	1.4
137.02328	2.0
137.05937	0.7
139.03923	2.4
145.02879	5.9
147.04384	3.1
148.01668	0.8
149.02348	1.9
149.04468	1.4
150.03169	4.4
153.05505	1.9
158.03639	3.2
158.06593	0.7
159.04414	8.2
160.05214	27.0
161.02353	1.8
161.04558	1.4
161.05984	9.5
162.03177	1.1
163.03932	5.8
164.04681	5.5
172.05161	1.2
173.05984	5.1
175.04036	1.2
175.07570	20.5
176.07962	1.3
177.01923	0.8
177.05519	6.7
178.06282	7.7
178.99831	0.7
187.07622	1.9
189.05530	1.3
191.07101	1.5
192.07843	1.6
193.08672	1.4
199.03638	0.7
205.05064	1.8
235.05988	0.7
251.07248	0.7
256.03723	1.9
257.04398	1.0
265.07230	1.7
268.07227	0.7
269.07828	0.7
271.06204	0.9
272.02948	0.9
279.06641	1.3
283.06189	1.8
295.06104	1.8
296.06979	1.2
297.07751	1.1
298.08524	1.6
300.02405	1.4
310.08560	0.8
311.09235	2.8
314.11646	1.1
325.10788	2.4
326.07919	2.4
326.11578	1.1
329.13928	100.0
330.14240	12.3
340.04172	1.2
341.10248	6.8
341.13812	1.2
342.10757	1.2
343.11804	2.6
344.08911	1.1
356.12384	3.4
357.13248	0.7
359.11310	6.1
359.15213	2.2
360.11523	1.5
371.14908	6.9
374.13712	9.0
375.14087	1.5
385.09827	0.8
389.16058	38.0
390.16354	4.8
398.27484	0.8
411.07434	0.8
503.16193	0.9
506.17416	1.1
521.11591	3.3
521.20190	44.1
522.20483	9.0
530.44336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01720	1.6
57.03287	1.8
57.97932	0.5
58.00426	1.3
58.87972	0.4
59.01252	31.8
61.98672	0.6
71.01255	25.3
71.41520	0.8
72.01590	0.6
72.99179	3.3
73.02822	5.0
79.54710	0.5
81.93604	0.4
83.01260	4.8
85.02825	9.5
87.00768	2.4
89.02323	13.5
91.05569	0.5
95.01269	2.5
99.00781	2.4
101.02324	19.6
108.02007	0.6
109.02838	9.2
111.00691	1.7
113.02338	7.7
117.03302	0.8
119.02608	0.4
119.03395	5.7
119.04849	1.2
121.02771	1.0
123.00691	0.7
123.04356	1.5
125.02264	0.6
127.43343	0.5
131.03423	0.7
133.02802	2.0
135.04367	1.9
137.02293	0.7
145.02875	3.4
149.04433	1.1
153.03658	0.5
159.03185	0.4
159.04427	3.3
161.02357	9.1
161.04416	1.5
161.05788	0.8
162.02986	0.7
163.03925	0.9
164.04694	2.3
172.05124	1.1
173.06001	4.7
177.05315	0.5
179.03365	1.1
179.07025	0.5
187.07503	0.8
189.05525	3.2
191.07042	2.1
201.05511	0.7
203.07060	1.5
205.04939	1.0
205.08594	0.8
221.04457	0.4
240.04120	0.8
241.05013	6.1
242.05522	0.7
253.04977	1.1
255.06638	3.2
267.06570	1.3
268.07300	1.0
269.08145	1.1
279.06726	0.9
280.07397	0.8
281.08203	2.5
283.09723	1.1
295.09723	3.3
296.10477	1.1
298.08176	0.6
299.09210	4.0
311.09277	5.2
312.09647	0.9
313.10785	8.4
314.11127	0.8
323.07553	2.6
326.11676	3.8
327.12259	1.3
328.13062	0.7
329.10294	3.3
330.11108	0.6
341.10205	0.8
341.13828	5.0
342.14246	1.0
343.11899	1.7
344.12619	26.8
345.13104	4.6
359.14996	71.3
360.15366	7.5
389.15955	1.2
398.60895	0.5
506.18338	0.5
521.20361	100.0
522.20673	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	521.2027
Annotation	(-)-Isolariciresinol 3-alpha-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03327	1.3
59.01250	17.5
71.01250	15.9
72.99168	1.9
73.02824	3.8
83.01267	3.5
85.02833	7.2
85.99972	1.0
87.00753	2.8
89.02322	5.8
99.00758	2.2
101.02319	9.7
108.02005	1.2
109.02888	1.2
111.00718	2.1
113.02307	3.6
119.03405	1.3
121.02876	4.9
124.10462	1.0
133.02837	4.2
135.04440	2.7
137.02293	1.0
145.02855	2.3
147.04424	1.2
151.03941	1.3
159.04372	1.9
161.02351	19.6
164.04736	1.9
177.01836	1.2
179.03363	2.0
206.06082	0.9
240.45615	1.3
265.08646	1.1
266.05780	1.2
267.06534	1.6
268.07370	2.5
269.08124	3.7
270.08896	2.6
280.07349	1.7
281.08237	8.4
282.08899	5.0
283.09625	4.4
293.08200	4.5
295.09708	3.4
296.10553	1.9
299.09180	3.8
299.12448	1.2
300.09946	1.5
311.09259	4.8
314.08081	2.4
314.11563	8.1
315.12198	4.8
323.07666	2.2
326.11633	12.0
327.12286	8.9
329.13916	9.4
340.09665	1.3
341.13882	11.9
342.14365	1.8
343.11880	1.7
355.11984	7.4
385.15100	2.0
473.14661	5.5
474.15085	1.7
476.16925	8.0
477.16794	1.8
488.16660	8.5
489.16589	2.1
491.19229	98.0
492.19711	19.1
503.19373	100.0
504.19601	21.3
517.32581	1.2
521.16650	9.0
529.71826	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2034
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
56.26429	0.3
57.31063	0.3
59.01256	2.3
61.98710	2.3
69.23686	3.4
70.69303	0.3
71.01252	5.5
73.02811	0.9
74.08959	0.3
74.98953	0.5
75.00751	0.6
83.01241	0.4
85.02827	1.2
87.00725	0.5
87.88002	0.4
89.02322	1.8
97.26849	0.3
98.20563	0.7
101.02338	1.8
106.79164	0.3
108.02051	0.8
109.02840	11.5
111.00769	2.2
113.02344	1.2
115.00246	0.5
119.03345	0.4
123.04454	0.7
125.02374	1.7
131.03386	0.6
137.02295	0.4
147.04388	0.4
149.02269	0.4
149.04489	0.8
158.03609	0.5
159.04446	5.8
161.02451	0.5
161.04483	1.4
161.05913	0.5
165.05444	0.5
171.04457	0.5
173.06015	4.4
181.52922	0.4
185.06125	0.4
189.05527	4.2
190.06245	0.8
191.07037	1.7
203.07036	2.8
205.08633	0.5
213.05550	0.6
225.05472	0.7
229.66405	0.4
239.83817	0.4
240.04205	1.4
241.05028	7.8
242.05492	0.6
255.06601	6.2
256.07004	0.7
262.66382	0.4
265.08643	0.5
267.06641	0.9
268.07147	0.4
269.08127	1.4
281.08258	0.5
283.09799	0.8
295.09857	1.0
296.10443	0.6
298.08307	0.5
299.09283	6.5
300.09579	0.8
313.10822	10.3
314.11234	1.3
327.12375	0.4
329.10287	5.5
330.10684	0.7
343.11792	2.5
344.12634	38.1
345.13034	4.9
359.15002	100.0
360.10858	0.8
360.15347	12.9
378.13528	0.4
405.21326	0.6
431.14731	0.6
461.20291	0.9
521.19910	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.9
57.03323	0.8
58.00464	0.5
59.01254	25.3
60.01577	0.5
61.98693	1.4
69.35450	3.1
71.01256	12.4
72.99171	0.9
73.02824	2.1
75.00692	0.5
83.01254	1.5
85.02833	4.6
87.00749	0.8
89.02313	4.4
95.01265	0.9
99.00746	0.8
101.02329	7.2
103.26514	0.3
107.08047	0.4
113.02331	4.5
119.03412	2.2
145.76651	0.4
161.04482	0.4
241.39900	0.3
311.26013	1.4
313.23953	1.2
323.25836	0.7
341.22906	0.8
341.26941	10.3
342.27170	1.6
359.23459	0.7
359.28049	14.1
360.28613	1.6
360.44940	0.4
437.95731	0.4
461.30823	0.4
503.32254	1.9
521.33295	100.0
522.33612	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	521.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23351	0.4
55.01757	1.2
56.36000	0.3
57.03323	1.4
58.00467	0.9
59.01252	40.0
60.01574	0.5
61.98698	2.5
71.01256	16.5
71.25970	0.4
71.26295	0.6
71.74307	0.4
72.99177	1.3
73.02811	3.7
75.00764	0.5
83.01270	2.1
85.02820	7.9
87.00735	1.2
89.02313	6.9
93.03295	0.5
95.01275	1.8
95.04889	0.5
99.00765	1.2
101.02317	11.5
103.03905	0.6
111.00773	0.6
113.02336	6.9
117.03349	12.2
118.03687	1.6
119.03407	2.3
119.04903	3.0
121.02821	0.6
122.03644	0.5
123.04409	56.3
124.04744	2.7
125.02334	0.9
131.03426	0.7
138.01843	1.6
143.03406	0.5
145.02858	49.8
146.03200	4.8
147.03435	0.9
149.05995	1.2
153.05479	89.0
154.05788	4.6
159.08049	0.5
161.04488	1.7
161.09674	0.6
163.03908	3.1
163.07565	0.5
165.05481	0.4
178.06274	0.5
179.10687	0.7
238.72079	0.4
311.25793	0.5
313.24011	1.0
315.10928	3.0
315.18137	0.6
323.26361	0.5
329.19836	0.4
341.26913	9.5
342.27225	0.7
357.26544	0.5
359.28024	13.6
360.28311	1.9
378.10782	0.4
401.29297	0.5
461.23956	3.8
461.31192	2.3
462.24182	0.8
462.31241	0.7
477.21420	2.1
503.32056	1.4
521.27124	21.8
521.33453	100.0
522.27612	3.5
522.33765	18.0
543.12262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.7
57.03315	0.9
58.00466	0.4
59.01254	13.5
61.98695	0.7
68.56360	0.2
69.03313	0.2
71.01257	8.8
71.46278	0.3
72.99162	0.6
73.02821	1.9
78.52413	0.2
83.01253	1.8
85.02821	2.9
87.00749	0.7
89.02319	3.8
95.01269	0.7
99.00751	0.8
101.02330	4.8
111.00819	0.2
113.02330	2.3
119.03382	1.0
125.02335	1.1
127.11173	0.4
143.43457	0.2
158.41466	0.2
161.04520	0.2
186.33438	0.2
210.87596	0.2
245.33693	0.3
311.22470	0.3
313.23837	2.4
314.24246	0.3
341.26959	4.0
342.27286	0.6
357.26620	0.5
359.28043	17.3
360.28519	2.4
461.31662	0.3
503.32214	1.7
504.32657	0.4
521.33307	100.0
522.33661	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07242	0.1
55.01767	0.2
57.03328	0.2
59.01254	3.3
60.27337	0.1
61.98704	100.0
62.98404	0.3
66.01072	0.1
67.35139	0.1
71.01254	2.4
71.55146	0.1
72.01599	0.2
72.99199	0.3
73.02820	0.8
75.00752	1.1
75.88583	0.1
80.96392	0.9
83.01260	0.5
85.02826	1.1
87.00744	0.2
89.02305	1.2
93.03355	0.1
94.97981	0.2
95.01273	0.2
96.95863	0.1
97.02875	0.1
97.06503	0.2
99.00774	0.3
101.02323	1.8
102.02665	0.1
107.04947	0.1
108.02078	0.2
108.04443	0.2
109.02884	0.2
111.00786	0.4
113.02320	0.9
119.03346	0.2
121.02868	0.4
123.04400	0.7
124.01547	0.2
125.02359	0.4
131.03362	0.2
134.03679	0.9
134.97522	0.1
135.04187	0.2
137.02335	0.4
139.03891	0.1
143.03381	0.2
145.02852	0.4
149.04497	0.2
149.06049	0.3
150.06764	0.1
151.00200	0.2
151.03862	0.2
153.01855	0.3
153.05460	0.8
159.02977	0.2
160.01564	1.2
161.02069	0.3
161.04491	0.3
162.03123	0.1
164.98546	0.2
165.05562	0.1
167.03329	0.3
167.10693	0.2
175.03926	1.4
176.04277	0.3
178.02629	0.5
179.03142	0.1
179.07063	0.2
182.02179	0.2
187.11165	0.1
193.04997	1.7
194.05333	0.9
195.06625	1.0
197.04591	0.2
205.12318	0.1
225.00610	0.2
243.19743	0.1
265.07422	0.1
269.21301	0.2
286.69876	0.1
287.22305	0.9
338.09579	0.2
359.28113	0.3
360.28412	0.4
406.25494	0.3
431.26501	2.0
449.27576	2.5
521.33429	1.3
522.17029	0.2
522.33752	2.4
523.19141	1.8
523.26202	0.3
523.34845	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.1
55.50356	0.3
57.03327	1.6
58.00461	1.1
59.01252	28.2
60.01585	0.3
61.98703	1.2
69.23698	2.9
71.01254	24.5
72.01604	0.4
72.99185	1.7
73.02815	4.5
75.00724	0.4
78.52568	0.3
83.01257	4.0
84.26263	0.3
85.02825	8.7
86.00019	0.4
87.00758	2.3
88.98684	0.4
89.02322	11.8
90.02683	0.4
93.03369	0.7
95.01268	2.0
97.02858	0.8
99.00770	3.3
101.02324	16.9
102.02677	0.4
108.02103	0.4
109.02831	4.9
111.00778	0.8
113.02331	8.0
119.03397	4.5
119.04818	0.4
121.02845	10.6
122.03638	10.4
122.87752	0.3
123.04453	2.1
124.01569	1.0
125.02346	0.9
129.01851	0.7
129.03339	0.6
131.03409	2.0
134.03633	1.0
135.04416	2.3
136.01529	0.3
136.05206	1.0
137.02353	2.4
143.03432	0.8
146.03592	0.4
147.04433	6.0
148.05145	0.5
149.04492	1.3
149.05991	1.2
150.03084	0.3
151.03952	0.4
153.01828	1.0
154.02617	0.9
159.02904	0.8
160.05214	0.4
161.02406	0.7
161.04472	2.8
161.06012	2.8
162.06688	0.8
163.03900	0.7
164.04683	0.4
165.05492	22.6
166.05803	1.4
173.06026	0.5
175.07568	0.6
176.08272	0.3
177.05551	0.3
178.06317	0.6
179.03615	0.5
179.05525	0.7
179.07050	6.5
180.07562	0.4
190.06329	0.4
191.05582	0.4
191.07111	1.4
192.07690	0.4
193.08566	0.3
205.08563	0.3
209.08099	0.7
223.09789	0.8
285.11313	0.4
298.12036	1.7
299.12891	0.4
312.09747	0.4
313.11288	0.5
313.14328	1.8
314.14932	0.5
315.12378	1.8
316.13260	0.7
328.13110	2.5
329.13715	1.1
331.17706	4.9
332.17899	0.6
343.11465	0.6
343.15469	6.2
344.15903	0.5
345.13626	0.4
346.14203	9.7
347.14874	2.9
361.16571	89.9
362.16891	12.3
463.21814	10.3
464.22052	1.2
508.19562	0.6
523.21838	100.0
524.22217	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	523.2188
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.46722	0.4
56.97611	0.4
57.03326	0.5
59.01254	5.2
61.98706	2.7
71.01265	5.4
71.33929	0.7
72.99172	0.6
73.02818	1.6
78.79308	0.4
83.01283	0.9
85.02819	2.0
87.00755	0.8
89.02305	2.7
93.03338	1.2
95.01285	0.6
99.00768	1.2
101.02316	4.2
108.02071	0.5
109.02841	4.4
111.00780	2.4
111.04439	0.5
113.02332	2.7
113.36303	0.4
114.59571	0.3
121.02845	11.2
122.03639	10.1
123.00814	0.4
123.04427	2.5
124.01513	1.2
125.02307	0.9
129.03337	0.4
131.03401	1.5
131.35390	0.4
134.03621	1.2
135.04457	2.2
136.01581	1.2
136.05168	0.9
137.02350	2.5
143.03305	0.4
146.03659	0.6
147.04439	5.7
148.01614	0.5
148.05109	0.6
149.04510	1.8
149.05986	1.2
150.03116	0.7
151.00334	0.4
151.03888	1.1
152.01051	0.9
153.01814	1.2
153.05449	1.0
154.02643	1.8
161.04453	1.5
161.05997	1.6
163.03923	1.2
164.04758	0.6
165.05490	22.1
166.02605	1.8
166.05869	0.9
167.03439	1.4
168.04135	0.5
168.11249	0.4
177.05598	0.4
178.02658	1.3
178.06319	0.5
179.05493	0.6
179.07043	7.8
180.07738	0.9
181.04955	2.9
191.05499	0.6
193.01289	0.5
193.05029	3.5
211.06114	1.1
223.09676	0.9
239.05515	0.5
297.11798	0.5
298.12149	0.5
311.07684	1.3
313.14386	0.9
315.12399	2.3
316.12985	0.9
331.17938	2.2
343.15601	0.7
346.14197	10.0
347.14575	1.2
361.16577	100.0
362.16931	12.9
362.50262	0.5
463.21844	7.9
464.22278	1.2
493.13641	0.7
505.13608	1.5
523.13831	0.7
523.20569	1.2
524.20819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.0
57.03337	2.0
58.00476	3.6
59.01254	100.0
60.01588	0.9
61.98700	7.3
69.03336	1.2
69.48611	6.0
71.01255	69.4
72.01593	0.9
72.99187	3.2
73.02823	10.5
78.50477	1.0
83.01273	2.7
83.38361	0.8
85.02831	10.4
87.00754	5.6
89.02321	78.5
90.02651	1.7
91.61175	0.8
97.02840	1.3
98.19824	1.9
99.00773	1.8
99.05307	0.8
99.37794	0.8
101.02328	42.1
102.02673	1.2
113.02343	10.3
119.03358	4.8
123.04372	1.6
125.02358	2.1
131.03406	30.6
143.03387	1.5
149.04468	67.6
150.04819	2.7
161.02406	1.6
161.04489	3.6
177.01874	2.5
181.08669	0.8
183.10126	1.4
191.05524	13.9
207.54744	0.8
221.06549	1.1
263.85956	0.9
301.07532	1.0
311.09811	2.1
331.17667	4.0
347.74524	0.8
463.21628	5.4
464.22250	1.3
523.35101	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	523.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	3.5
57.03313	2.8
58.00473	1.9
58.45110	0.8
59.01251	86.1
61.98700	8.0
64.90154	0.7
69.03320	1.5
69.26424	7.7
71.01254	67.7
72.01561	1.3
72.99184	2.2
73.02824	14.5
75.00751	1.5
79.64251	0.9
81.98043	0.8
83.01254	6.9
84.14691	0.8
85.02345	1.6
85.02824	24.0
85.99949	1.7
87.00751	8.7
89.02319	44.4
90.02661	1.2
95.01247	3.6
97.02830	2.3
98.20493	2.1
99.00751	10.8
101.02325	47.9
102.02641	0.9
110.51216	0.9
111.00786	1.2
113.02335	24.8
119.03402	9.4
123.04440	1.5
125.02349	5.9
129.01799	1.9
131.03395	33.5
132.01976	0.9
135.04353	1.2
143.03424	5.7
147.04485	1.1
149.04462	24.1
159.02974	5.3
161.04468	34.7
161.05829	1.7
162.04843	1.1
164.04688	3.0
175.03885	1.5
179.05496	8.2
179.07054	2.2
181.04982	2.7
191.05556	16.4
218.53819	0.9
221.06628	38.9
222.06970	1.9
233.06534	1.7
251.07674	1.6
293.08835	1.9
314.04510	1.0
331.17615	100.0
332.17920	11.7
353.10699	2.2
463.21817	19.3
464.21796	2.3
505.20764	1.1
519.09027	1.0
523.22211	2.0
523.31067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.3
57.00262	0.9
57.03325	1.8
59.01254	100.0
61.98425	1.6
61.98708	22.2
69.51590	6.5
71.01258	31.1
72.99196	1.3
73.02825	12.0
74.73733	0.8
75.00784	0.9
75.27216	0.9
83.01248	5.1
85.02832	13.7
87.00757	2.3
87.57970	0.9
89.02318	7.0
94.94718	1.1
95.01258	1.9
97.02803	1.0
98.19818	2.1
99.00757	5.8
101.02330	22.6
102.43047	1.0
111.00729	2.9
113.02330	12.1
123.04466	1.2
125.02294	1.6
129.01811	1.5
143.03383	1.4
149.05943	1.9
159.02888	1.9
161.04485	14.7
209.11761	2.3
256.98718	1.1
301.27432	2.4
313.20258	1.1
331.21115	2.9
361.29233	2.8
391.26901	2.3
395.64984	1.2
463.25763	4.4
463.32739	72.2
464.33154	11.6
466.30267	1.2
486.65109	1.1
523.22534	1.4
523.35388	11.7
524.34808	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	523.349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32679	0.5
55.01754	1.1
57.03316	1.5
58.00474	1.0
59.01254	100.0
60.01583	1.2
61.98704	7.2
69.32061	2.3
69.32488	2.3
71.01255	18.3
72.99188	1.5
73.02821	6.1
75.00758	1.1
83.01274	3.2
85.02823	8.5
87.00741	1.4
89.02316	4.8
95.01236	1.3
98.20490	1.0
99.00763	3.0
101.02328	15.2
101.05965	1.3
111.00783	1.3
113.02331	9.5
117.03379	0.6
119.03415	1.6
123.04459	0.8
125.02310	1.4
131.03435	1.4
137.02341	0.7
143.03444	0.8
145.02811	0.5
149.04424	1.0
159.02971	1.4
161.04475	9.7
179.06975	0.6
301.27686	0.9
331.21399	2.3
391.26880	0.7
463.32724	62.9
464.33023	9.0
523.34052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.1
57.03308	1.1
59.01252	32.9
60.01591	2.1
61.98704	100.0
65.40440	0.6
71.01253	19.0
72.01598	0.9
72.99186	1.2
73.02814	5.4
75.00754	0.8
78.55798	0.6
83.01263	2.5
85.02820	7.7
86.03155	1.0
87.00768	2.3
88.01102	0.9
88.98699	0.6
89.02319	12.5
90.02685	1.0
93.61008	0.6
95.01263	1.9
97.02872	1.3
98.20731	1.2
99.00772	2.3
101.02328	14.1
102.02677	1.0
103.03887	0.8
103.75965	0.6
104.14230	0.6
109.02844	0.7
110.40922	0.6
113.02345	6.4
114.02673	0.9
119.03400	2.7
119.96316	0.6
123.04399	1.3
124.01546	3.5
125.02354	1.9
131.03398	7.9
132.02086	1.0
132.03760	1.0
133.02798	0.8
134.03694	0.9
135.04405	1.2
137.02370	1.0
137.06015	3.5
137.09639	1.4
138.06360	0.8
139.03931	1.4
139.07521	0.7
143.03430	1.6
145.02904	0.6
149.02388	1.6
149.04474	6.2
151.11214	0.6
153.05533	1.3
159.02875	1.1
160.01590	2.5
161.02345	1.3
161.04488	7.4
162.04816	0.9
163.03946	0.8
163.07608	0.7
164.04694	3.4
165.05180	1.4
175.03880	2.8
176.04379	1.5
179.05630	1.3
179.07132	2.5
180.04146	0.6
180.07451	0.9
181.04997	2.2
181.08717	1.2
182.05635	1.2
190.59857	0.6
191.05534	3.0
193.05078	1.1
197.08173	0.7
221.06598	6.9
222.06927	1.2
243.02971	3.6
253.35524	0.7
257.04498	0.8
269.29999	0.6
270.01755	1.1
271.02444	4.5
285.04044	2.3
286.04938	1.1
299.02042	1.9
300.02893	1.8
314.00662	0.9
314.04297	7.9
315.05026	4.6
331.17657	11.5
332.17932	8.2
348.55942	0.8
353.10834	0.6
363.17072	0.6
392.91354	0.6
434.69507	0.8
461.10858	14.6
461.16797	0.9
462.11301	2.0
463.21747	1.7
464.22128	3.5
476.84753	0.6
506.21399	1.8
523.30914	1.6
524.22681	3.2
524.30872	0.6
525.19257	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	524.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23557	0.2
54.97602	0.2
58.10991	0.2
59.01250	3.0
61.81137	0.2
61.98705	100.0
71.01262	2.4
73.02834	0.6
83.01288	0.4
85.02832	0.7
89.02312	2.1
89.79809	0.2
90.02666	0.3
101.02320	1.5
109.02891	0.4
111.00703	0.3
113.02368	0.7
119.03414	0.3
119.04951	0.5
123.04446	1.0
125.02357	0.3
131.03462	0.7
135.04424	0.3
145.02875	1.3
149.04451	1.3
153.01892	0.5
153.05501	1.0
160.01604	1.0
161.02322	0.5
163.03870	0.4
166.46942	0.2
175.03967	0.9
177.01820	0.4
178.41331	0.2
179.03471	0.4
179.07100	0.3
181.05000	0.5
181.08479	0.2
187.53911	0.3
205.05240	0.2
249.76959	0.2
307.08368	0.9
323.56375	0.2
331.17767	0.3
332.18106	0.3
376.77380	0.3
428.54373	0.2
461.14493	0.5
463.26144	0.3
464.21683	0.3
524.21924	0.6
525.24249	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	524.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23557	0.2
54.97602	0.2
58.10991	0.2
59.01250	3.0
61.81137	0.2
61.98705	100.0
71.01262	2.4
73.02834	0.6
83.01288	0.4
85.02832	0.7
89.02312	2.1
89.79809	0.2
90.02666	0.3
101.02320	1.5
109.02891	0.4
111.00703	0.3
113.02368	0.7
119.03414	0.3
119.04951	0.5
123.04446	1.0
125.02357	0.3
131.03462	0.7
135.04424	0.3
145.02875	1.3
149.04451	1.3
153.01892	0.5
153.05501	1.0
160.01604	1.0
161.02322	0.5
163.03870	0.4
166.46942	0.2
175.03967	0.9
177.01820	0.4
178.41331	0.2
179.03471	0.4
179.07100	0.3
181.05000	0.5
181.08479	0.2
187.53911	0.3
205.05240	0.2
249.76959	0.2
307.08368	0.9
323.56375	0.2
331.17767	0.3
332.18106	0.3
376.77380	0.3
428.54373	0.2
461.14493	0.5
463.26144	0.3
464.21683	0.3
524.21924	0.6
525.24249	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	524.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78333	0.2
56.22656	0.2
59.01252	1.2
61.98703	100.0
63.61782	0.2
69.52625	1.0
71.01262	0.9
73.02805	0.2
75.00748	2.3
87.00726	0.3
88.00291	0.4
88.98692	0.2
89.02344	0.7
101.02335	0.5
108.02065	0.9
120.99639	0.2
123.04440	0.8
124.04811	0.3
134.03621	0.2
137.02371	0.3
138.01877	5.4
145.02870	0.3
153.05482	0.6
160.01663	0.4
164.04706	0.5
171.13834	0.3
175.03972	0.3
179.07108	0.4
182.02083	1.2
197.04488	1.0
411.53708	0.2
523.34119	0.3
524.22351	0.5
525.20581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57095	2.2
56.84831	1.6
57.03322	3.7
59.01251	20.7
61.98704	100.0
62.98397	2.1
71.01254	7.8
71.54832	2.9
71.63261	1.7
72.99188	2.2
73.02817	4.4
75.00741	14.9
80.38658	1.8
85.02828	5.5
87.00800	2.3
89.02306	12.1
93.03333	8.1
99.00742	2.5
101.02316	9.7
109.02869	2.2
113.02319	3.5
119.03403	3.3
121.02843	6.7
123.04416	9.1
124.01556	1.9
125.02386	2.4
131.03416	2.0
135.04355	2.8
137.02341	16.4
138.01851	2.1
145.02875	4.0
149.02251	2.1
149.04427	3.8
150.03069	3.7
151.00107	1.6
151.03891	2.7
153.05444	7.8
160.01578	2.1
160.64700	1.8
161.04454	2.9
163.03873	1.9
164.04716	6.0
165.05424	4.0
167.03413	3.5
175.00278	2.0
175.03908	6.2
179.03401	2.0
179.05582	3.5
179.07028	14.5
181.08615	3.6
190.02710	4.1
193.05086	2.7
197.04497	2.0
199.09677	2.1
205.04997	5.6
225.51831	2.2
225.83434	1.9
251.07051	2.5
279.06638	8.8
294.08908	4.3
309.11313	11.7
384.91028	2.3
425.15659	1.9
525.23419	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	525.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.0
55.49157	1.0
57.03317	1.8
58.00460	1.0
59.01252	36.3
61.98703	7.9
69.03338	1.1
69.94389	3.5
71.01254	23.5
72.56254	0.9
72.99165	1.1
73.02827	4.7
75.00730	0.9
83.01258	4.5
83.04893	1.0
85.02829	4.9
87.00758	3.3
89.02317	25.6
93.12171	0.8
97.02838	1.0
99.00752	1.2
101.02322	18.7
109.02801	1.1
111.00762	1.7
113.02321	7.6
117.03375	1.1
119.03391	2.3
119.04938	1.6
121.02843	3.3
121.06490	1.3
123.04400	2.9
124.01556	44.6
125.02280	3.5
131.03404	12.5
132.02065	9.0
133.02800	3.1
134.03642	13.9
135.04422	2.3
135.08058	2.2
137.02354	2.3
137.06012	4.8
137.09625	6.4
139.03911	100.0
140.04262	3.2
143.03383	1.1
145.02875	2.7
147.04326	1.0
149.04457	22.1
149.05856	2.1
160.01570	52.1
161.02127	3.5
161.04486	3.7
161.09630	2.4
163.04053	1.0
163.07556	6.6
164.04646	1.4
166.06287	4.2
175.03929	64.5
176.04274	3.9
179.03448	1.1
179.07065	2.5
179.10678	3.5
181.08636	9.2
182.05711	2.1
183.10162	2.7
190.02679	1.0
191.05495	5.8
191.06998	1.7
193.04993	19.1
197.08136	2.4
197.11777	1.8
205.04999	1.4
207.06770	1.0
223.09680	4.9
235.06078	3.4
240.04237	6.5
241.10828	2.1
255.06813	1.2
265.04974	1.3
283.05991	3.0
283.68607	0.9
298.08459	7.8
313.10794	15.0
315.12073	1.1
333.19104	7.2
343.11841	6.2
385.14804	2.2
465.23425	5.3
477.19064	2.0
507.18665	2.1
524.35101	2.7
525.22955	61.9
526.23407	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	525.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.1
57.03328	4.6
58.00471	1.7
58.49523	1.3
59.01252	92.6
61.98703	51.0
69.03329	4.6
71.01263	24.4
71.03630	1.9
71.03990	2.2
71.04927	1.9
72.99216	1.8
73.02818	6.0
75.00762	6.2
77.20016	1.4
78.91763	1.5
83.01269	1.9
84.54491	1.3
85.02831	8.6
87.00793	4.0
89.02317	13.1
93.03353	3.2
95.01265	1.8
99.00800	2.7
99.04386	2.8
101.02333	15.7
109.02865	2.6
111.00763	1.7
113.02326	8.7
117.03343	2.1
119.03413	2.8
119.04931	3.3
121.02869	3.0
121.10164	1.6
122.03680	3.6
123.04403	6.4
125.02359	2.9
131.03384	1.6
132.02061	18.0
133.02853	2.4
134.03635	22.3
135.04378	2.5
137.02341	13.1
137.05984	58.2
138.01886	4.1
138.06371	2.4
139.11172	12.8
145.02892	8.1
149.02489	1.8
149.04503	2.3
149.05969	3.4
151.03908	3.7
153.01877	3.6
153.05484	3.1
154.01390	2.5
159.02922	1.8
160.01576	86.2
161.02196	6.3
161.04472	8.8
163.03926	5.0
164.04697	7.0
167.03471	4.3
174.91446	1.3
175.03932	93.3
176.04431	4.7
179.03439	2.7
179.07066	7.3
181.05042	1.9
181.08704	1.8
182.05774	26.1
183.10202	56.1
184.10579	3.0
190.21559	1.4
191.07309	1.7
193.05003	27.2
194.05394	2.3
195.06558	1.8
197.08141	44.9
198.08553	1.9
205.05162	2.6
231.17889	1.5
235.06120	2.9
315.58276	1.6
323.07849	1.8
333.13507	2.3
333.19095	3.3
341.12418	7.3
359.13477	15.5
360.13849	1.9
382.39838	1.6
428.13907	1.5
451.15726	1.6
465.23126	8.8
524.34723	1.9
525.23547	100.0
526.23779	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	525.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17573	1.2
55.01746	1.9
57.03323	3.0
58.00474	5.0
59.01254	100.0
60.06052	1.1
61.98705	15.1
69.43557	1.5
69.43871	9.1
70.37357	1.1
71.01258	71.5
72.99175	3.8
73.02817	7.6
78.67419	1.2
79.69599	1.2
83.01271	3.6
85.02826	10.9
87.00767	5.8
89.02322	98.6
90.02660	2.2
93.03338	1.5
95.01240	1.4
97.02847	2.1
99.00788	4.1
101.02332	50.3
102.02684	2.2
109.02769	1.4
111.00737	1.4
113.02334	14.4
117.03282	1.6
119.03374	8.1
121.02850	3.2
123.04407	3.9
124.01549	6.1
125.02352	2.9
129.01805	2.0
131.03407	48.6
131.04387	2.7
132.02042	10.4
132.03664	1.8
133.02875	2.1
134.03667	8.8
137.02315	3.8
137.09604	1.7
139.03938	6.9
139.07565	2.9
139.11192	2.7
143.03409	2.4
145.02872	4.0
148.05161	1.4
149.04472	82.7
150.03140	1.1
150.04811	1.9
153.01816	1.4
153.05518	2.9
154.01288	1.7
160.01585	36.4
161.02014	5.5
161.04482	3.2
162.01994	1.8
163.03949	3.8
163.07579	3.0
164.04720	5.0
165.05489	2.2
166.06300	6.8
167.03470	2.2
175.03935	38.3
176.04303	7.5
177.01907	2.1
177.04372	1.7
179.03307	1.5
179.07037	6.9
179.10632	1.3
181.08665	5.3
183.10272	7.7
183.11650	1.3
191.05568	28.0
191.07301	1.7
193.05052	12.1
194.05360	1.7
195.06731	1.5
197.04410	1.2
205.05106	2.4
235.06151	3.3
240.04309	10.5
251.07822	1.9
255.06754	2.2
265.05002	2.4
283.06216	4.8
298.08563	10.6
299.08908	1.9
311.09622	1.5
313.10812	21.4
314.11353	1.4
343.11923	5.4
344.12280	1.4
477.19000	2.0
524.35217	1.8
525.23560	47.2
526.23743	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	525.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09011	1.1
52.87758	1.1
57.03319	2.4
58.00446	1.3
58.35755	1.3
59.01257	44.8
61.80956	1.2
61.98707	38.1
65.00191	2.1
71.01257	33.7
72.01595	1.8
72.99171	3.4
73.02829	7.8
74.98977	2.9
83.01261	4.6
85.02837	8.7
87.00756	5.2
89.02322	38.4
93.03366	2.3
95.01237	2.9
99.00767	2.8
101.01696	2.1
101.02329	29.3
107.01287	3.0
108.02071	2.0
109.02831	3.9
111.00768	2.7
113.02344	12.4
119.03393	4.4
121.02823	3.6
121.39648	1.2
123.00761	1.6
123.04372	2.4
124.01579	1.6
125.02351	3.6
131.03397	16.1
137.02338	7.2
139.07515	1.8
143.03433	1.4
145.02798	1.6
148.01534	1.4
149.02542	2.0
149.04482	28.4
151.00294	11.7
151.03891	1.6
153.01854	3.0
159.02879	1.4
161.02374	3.0
161.04469	5.0
163.00272	2.2
163.03873	2.0
167.03416	2.5
178.99773	5.6
179.03400	4.0
179.05573	2.2
181.05017	1.3
191.05545	7.4
194.00847	3.0
195.01263	1.9
218.53581	1.2
226.02766	2.3
227.03476	2.6
239.05551	2.5
243.02940	9.3
254.02142	3.0
255.02988	25.0
271.02463	55.2
272.03116	1.8
283.02432	1.9
299.01852	1.7
300.02762	99.0
301.03534	36.9
302.03708	1.5
333.19257	12.2
334.19467	1.6
359.93884	1.3
363.14212	2.6
375.25708	1.3
463.08832	100.0
465.23312	37.5
466.23700	5.3
525.11682	1.3
525.21527	7.7
526.20807	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.5
61.98706	61.0
69.41715	8.9
80.75156	1.3
82.05740	1.3
84.90141	1.4
98.19759	1.3
100.19420	1.5
100.33553	1.2
101.02325	1.7
107.01302	2.4
109.02882	1.3
119.04884	1.3
121.02828	1.6
141.89178	1.3
151.00281	9.6
154.02188	2.0
163.00075	1.2
178.99820	4.6
243.02940	5.8
255.02975	15.5
271.02496	36.7
272.02994	3.6
300.02740	71.9
301.03448	37.7
302.03848	4.4
427.09702	1.5
463.08826	100.0
464.09091	14.3
466.23538	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.2
59.01253	1.4
59.39122	0.2
61.98706	100.0
71.01262	1.0
85.02821	0.3
87.00790	0.2
89.02337	0.4
101.02378	0.3
113.02333	0.2
123.00780	0.4
123.04427	0.4
124.01575	0.4
125.02303	0.2
125.53124	0.2
132.02333	0.2
139.03929	0.4
145.02869	0.2
149.06140	0.2
150.03143	0.2
153.01836	0.2
153.05548	0.3
154.01334	0.3
160.01613	0.2
165.05617	0.3
175.03934	0.3
176.04312	0.2
179.07019	0.4
180.07443	0.2
181.08609	0.2
183.10306	0.3
220.61490	0.2
289.07422	0.2
304.34610	0.2
311.22906	0.2
466.23068	0.2
526.23352	0.4
527.21460	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14482	0.2
51.61919	0.2
53.29892	0.3
55.45182	0.2
59.01259	1.3
61.98704	100.0
62.98398	0.3
63.99131	0.9
64.04449	0.2
65.98514	0.2
69.31963	1.6
71.01256	0.8
72.62605	0.2
74.30001	0.2
83.01264	0.3
85.02870	0.4
89.02335	0.3
93.03417	0.2
101.02332	0.4
107.01268	0.2
113.02380	0.4
119.04923	0.3
121.02819	0.2
123.04422	4.1
125.02356	0.6
133.02921	0.2
134.03664	0.4
135.04404	0.5
137.02324	0.4
139.67194	0.2
144.35477	0.2
145.02829	0.2
149.05972	0.3
151.00282	1.3
153.01942	0.4
153.05492	3.9
154.01350	0.4
160.01573	1.7
161.02371	0.7
175.03944	2.8
178.99855	0.6
179.03358	0.3
181.05290	0.3
188.67538	0.2
190.94229	0.2
193.05113	0.8
233.35883	0.2
262.25479	0.2
300.03214	0.3
301.03549	2.0
301.84433	0.2
302.03983	0.5
305.04825	0.2
337.09271	3.6
360.14050	0.2
360.56699	0.2
463.08691	1.8
463.13889	0.2
491.15686	1.3
526.23895	0.5
527.23102	0.3
545.28583	0.2
548.68347	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.9
61.91590	0.3
61.98705	100.0
63.06151	0.4
69.32142	2.4
71.01252	1.1
72.99205	0.4
73.02808	0.4
75.00755	1.4
83.01249	0.4
85.02866	0.4
88.00282	0.9
88.01128	0.3
88.24902	0.3
88.98668	0.6
89.02314	1.8
95.01224	0.3
98.20584	0.7
101.02335	0.9
111.12344	0.3
113.02331	0.5
116.83837	0.3
118.70237	0.3
123.04430	0.4
125.02363	0.5
137.02333	0.4
138.01886	0.6
149.02338	0.4
151.03963	0.5
165.05516	0.6
219.08136	5.0
233.06049	0.4
258.69916	0.3
290.18384	0.6
479.17548	0.5
503.81174	0.4
526.21228	0.4
549.42615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90025	0.3
59.01256	0.8
61.70328	0.2
61.72268	0.3
61.98704	100.0
62.98369	0.3
67.43369	0.3
71.01300	0.3
105.18808	0.3
135.07829	0.3
138.01918	0.6
201.91164	0.3
236.81075	0.3
278.79907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96049	0.3
59.01258	2.2
61.98705	100.0
71.01260	1.0
71.25373	0.4
85.02830	0.6
87.00780	0.4
96.95908	0.3
99.00777	0.3
100.77003	0.3
101.02329	0.4
109.56534	0.3
113.02371	0.3
114.78925	0.3
122.03613	0.3
125.02325	0.4
136.05167	0.3
186.20544	0.3
187.69879	0.3
209.11771	0.3
218.04420	0.3
301.03534	0.3
527.28674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2133
Annotation	Dutasteride
Peak:m/z	Relative Intensity
57.03320	2.4
59.01249	17.7
59.01535	1.2
60.01596	0.6
61.75800	0.5
61.98700	23.7
66.21120	0.7
68.08102	0.6
71.01262	7.9
71.55096	1.1
72.99165	1.2
73.02818	4.4
75.00762	0.8
78.91753	1.8
80.91558	1.0
83.01255	4.5
85.02823	3.3
87.00751	1.1
87.04362	1.5
89.02314	3.0
89.70708	0.6
93.03329	1.2
95.04904	1.2
96.02308	0.7
96.95885	0.8
97.02862	1.4
97.06459	0.8
99.00786	0.8
101.02321	4.7
109.02820	1.0
109.06499	0.8
113.02332	2.1
119.04919	0.9
121.02903	0.9
123.04399	5.9
124.01553	45.8
124.98768	0.7
125.02421	4.4
128.32483	0.6
131.03496	0.6
132.28044	0.6
133.02884	0.8
134.90807	0.7
135.04396	2.0
137.02332	1.7
137.05956	1.2
139.03908	100.0
139.11172	6.0
140.04254	2.9
145.02832	1.6
149.02351	1.0
149.04457	1.2
150.03166	0.9
151.03900	2.5
153.05498	5.5
160.01591	1.6
161.02357	1.9
161.04465	1.7
163.03903	1.3
163.11177	1.8
164.04692	2.0
165.01952	0.9
165.09138	2.7
165.24640	0.6
169.12212	1.5
175.03920	1.6
177.01839	0.7
179.07062	1.3
179.10721	0.8
180.07465	0.6
181.04987	1.1
181.12245	4.1
183.10175	9.8
184.10559	1.0
185.11787	2.8
187.03908	0.7
187.11346	0.8
190.02664	2.1
193.04935	0.9
197.11719	1.3
199.13300	0.6
205.04996	3.8
205.12242	1.2
207.10199	1.2
223.13330	2.1
225.11298	5.9
226.11674	0.9
231.10182	0.8
243.12309	4.4
249.11305	1.4
267.12299	1.7
285.13507	1.0
289.07123	2.2
291.12479	1.9
297.53497	0.6
317.17630	0.9
327.14484	2.3
327.21927	0.7
369.15781	1.4
384.57016	0.6
387.16531	2.3
429.17188	1.2
465.11868	0.8
509.20090	4.0
527.21228	63.5
528.21393	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	527.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.3
61.98718	1.2
69.64522	1.4
69.64933	3.8
86.55978	0.8
93.99448	0.9
96.66326	0.9
96.95890	1.1
107.04903	0.8
128.13040	0.8
135.04414	10.3
137.02383	0.9
147.04457	7.9
148.05231	7.5
149.05983	4.2
172.05197	2.9
173.05933	1.6
187.07593	4.1
188.08202	1.0
191.07092	6.9
256.14679	14.0
257.14914	1.9
259.13480	1.2
271.17001	1.4
274.15744	100.0
275.16061	9.0
289.18100	79.3
289.21481	1.9
290.18420	7.4
410.02756	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.4
57.03317	0.7
59.01254	7.3
59.98143	0.4
61.98710	1.4
69.03321	0.4
70.67025	1.0
71.01254	5.3
72.32693	0.3
73.02818	1.1
83.01243	0.6
83.04909	0.6
85.02826	1.5
87.00758	0.9
89.02312	3.6
89.90939	0.4
95.04936	0.9
96.95872	0.5
97.06465	0.4
98.99030	0.4
101.02316	4.6
111.08054	9.3
112.08401	0.5
113.02350	1.8
119.03408	1.1
125.02364	0.5
135.11650	0.5
137.09601	0.9
143.09445	0.4
161.04453	1.7
167.10628	2.3
177.12796	2.2
179.05536	0.7
179.10684	2.4
185.11691	0.5
195.13852	6.6
203.14362	0.5
209.11755	0.6
235.08134	0.6
247.20610	1.7
253.09270	15.9
254.09628	1.1
273.18576	1.0
275.31958	0.4
291.19666	100.0
292.19986	10.8
527.28229	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	528.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.6
61.98704	100.0
62.98402	0.2
63.99780	0.1
70.40870	0.3
70.41239	0.3
71.01266	0.6
75.16245	0.2
85.02831	0.3
89.02306	0.3
101.02335	0.2
109.02866	0.2
110.05656	0.2
113.02343	0.2
123.00768	0.1
123.04420	1.2
125.02327	0.3
137.02365	0.2
145.02818	0.2
151.00334	0.3
153.05530	0.5
161.02354	0.4
163.04005	0.2
165.01982	0.2
167.03462	0.2
177.01906	0.2
179.03467	0.2
180.00981	0.1
181.05089	0.3
181.08626	0.2
195.06577	0.1
211.71315	0.2
222.82150	0.1
289.72174	0.2
311.07654	0.7
413.14444	0.2
416.17062	0.2
465.14075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.9
61.98703	4.8
69.67503	1.3
71.01254	2.8
71.04903	0.3
72.99167	0.3
73.02829	0.7
75.00781	0.3
85.02824	1.0
85.81204	0.2
87.00748	0.4
89.02317	1.4
96.95918	0.2
99.00764	0.6
101.02311	1.5
104.02561	5.7
109.02829	0.3
113.02348	0.5
115.85838	0.3
117.03322	0.4
120.02084	0.4
123.00733	0.5
123.04426	0.5
125.02341	0.5
131.03403	0.2
132.02071	2.6
133.02867	0.4
134.03650	2.6
137.02319	0.3
145.02885	0.8
147.04382	0.3
148.01573	9.0
149.04495	0.6
149.05963	0.4
151.03951	0.3
160.01573	10.0
161.02055	0.7
161.04495	0.8
175.03918	7.9
176.01071	74.0
177.01389	3.6
178.02594	0.4
191.03435	100.0
192.03772	5.8
193.05002	1.7
254.95164	0.2
295.08334	0.2
337.09286	6.9
338.09528	0.8
363.27167	0.2
380.55328	0.2
397.22275	0.6
407.24496	0.2
488.47018	0.2
529.07581	0.7
529.26416	1.0
537.70062	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.4
57.03325	13.0
58.00462	4.0
58.62262	1.0
59.01252	100.0
60.01563	1.2
61.98705	10.0
69.03319	1.9
71.01256	82.6
72.99176	5.3
73.02823	18.7
75.00744	1.4
83.01266	7.5
83.04893	3.6
85.02824	25.9
85.71435	1.3
87.00755	10.0
89.02321	51.8
91.05401	1.2
95.01273	5.9
95.04874	1.4
96.95831	1.9
97.02869	1.6
99.00756	7.1
101.02324	47.7
102.51400	1.0
107.04928	1.4
109.02786	1.4
109.06474	21.4
111.00749	1.7
113.02328	27.5
119.03396	20.2
121.10144	3.8
123.04376	1.3
125.02357	3.5
127.07508	1.6
129.01831	1.9
131.03378	5.4
135.11678	11.6
137.09628	1.7
143.03384	5.4
149.04448	5.5
149.13199	1.4
151.03911	1.4
159.02884	6.3
161.02370	1.6
161.04477	24.6
171.06543	5.7
179.05530	5.4
191.05566	2.0
191.14363	4.6
227.17906	2.1
243.08728	4.7
245.19101	3.7
289.18106	35.5
290.18463	4.7
307.19244	3.1
315.96158	1.2
333.11871	16.6
334.12384	1.6
397.22101	2.0
469.24396	68.9
470.24786	11.0
529.26611	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	529.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30061	1.3
57.03314	2.5
57.27001	1.5
58.00471	2.4
59.01253	100.0
61.98704	36.9
70.80496	1.4
71.01257	66.5
71.28892	1.2
71.54625	2.1
72.01604	2.8
72.99186	6.5
73.02815	8.0
75.00753	17.7
76.19772	1.2
83.01244	3.9
85.02820	21.2
87.00739	4.2
89.02320	82.6
90.02657	2.3
90.53295	1.2
93.03358	2.5
95.01295	2.3
97.02862	2.0
99.00769	5.2
99.04368	1.4
101.02320	33.9
101.05997	2.5
108.02135	1.7
110.91601	1.3
113.02332	25.8
115.07541	2.3
119.03395	27.9
121.94231	1.3
123.04436	1.9
124.01585	1.7
125.02324	4.9
129.01793	2.4
131.03445	7.0
132.86816	1.5
135.04407	4.2
137.02324	2.9
143.03403	5.8
144.32324	1.3
149.04494	11.8
151.03897	3.2
161.02338	1.9
161.04453	8.6
163.03981	2.2
165.05473	2.1
177.01842	1.7
179.05550	15.1
191.05479	7.0
283.15604	1.6
289.07336	1.8
397.22287	5.8
485.27609	16.6
486.27771	3.5
523.48773	1.8
529.25946	14.9
530.29523	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	529.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22826	0.4
50.52697	0.4
54.80720	0.4
55.01748	0.5
57.03320	0.6
57.40826	0.4
59.01251	7.7
61.98709	2.0
69.87022	2.1
71.01255	7.0
72.99168	0.4
73.02824	1.0
83.01266	0.6
85.02814	1.5
87.00767	1.2
89.02330	5.2
95.01280	0.6
96.95896	4.3
96.98341	0.4
101.02325	7.2
109.04039	0.4
111.08011	0.8
113.02353	2.4
113.09634	0.5
119.03386	1.5
124.63440	0.4
125.02323	0.4
136.05127	0.7
143.03381	0.8
149.02338	0.5
150.03189	0.7
161.04474	3.3
161.28917	0.5
164.04726	1.9
165.05392	0.6
179.05467	1.1
179.07063	1.9
179.14241	0.5
195.13858	9.1
196.14352	0.8
205.12247	1.1
214.05684	0.4
223.13373	5.2
224.13751	0.5
228.13664	1.0
231.21266	0.6
253.09276	29.3
254.09712	1.1
256.13120	1.1
275.20166	4.3
276.20532	0.8
279.56122	0.4
291.19989	0.5
293.21234	100.0
294.21582	9.8
447.13580	0.9
492.22122	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22722	0.2
51.76082	0.2
55.01749	0.3
57.03313	0.3
58.00475	0.4
59.01252	7.9
61.98700	0.9
63.62066	0.2
71.01256	6.6
71.34193	0.4
72.99194	0.5
73.02824	1.1
77.83813	0.2
83.01264	0.7
85.02837	1.5
87.00753	1.0
89.02317	5.9
91.03899	0.3
95.01270	0.5
96.95898	0.3
99.00777	0.3
101.02328	6.7
108.23862	0.2
111.08032	0.4
113.02337	2.9
113.09649	0.3
118.25597	0.2
119.03396	1.7
131.03365	0.3
133.04958	0.2
143.03395	0.8
157.08495	0.2
161.04466	3.7
167.10696	0.4
171.51625	0.2
179.05618	1.2
179.14349	0.9
195.13849	8.4
196.14291	0.7
205.12300	1.0
205.15907	0.4
206.33015	0.3
211.13271	0.4
223.13367	6.4
224.13799	0.4
228.13667	0.7
249.22215	0.3
253.09271	29.6
254.09727	1.4
255.34889	0.2
256.13165	1.4
265.21933	0.5
275.20184	4.8
276.20453	0.5
293.21228	100.0
294.21561	11.2
336.25778	0.3
357.77280	0.2
405.12454	0.3
492.22159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63390	0.5
55.49545	0.5
56.65771	0.4
57.87429	0.5
59.01243	1.0
61.98709	2.3
66.88140	0.4
69.95891	0.8
69.96294	1.8
78.95778	17.3
80.96396	0.5
96.95902	0.8
112.63657	0.5
152.99503	2.9
161.32877	0.4
168.04164	2.5
176.17134	0.5
224.06877	8.7
242.07973	1.7
255.23273	100.0
256.23611	9.4
277.21667	0.7
280.23419	0.8
327.75876	0.6
418.75964	0.6
419.99777	0.5
480.30942	59.8
481.31314	9.8
530.22662	0.6
530.30603	1.5
532.27521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.9
57.03307	1.5
59.01255	22.0
61.98384	1.1
61.98704	15.2
63.69000	0.8
65.17712	0.8
67.69541	0.8
70.68852	1.8
71.01259	18.9
72.99187	2.7
73.02806	4.9
75.00780	1.0
82.95285	1.2
83.01257	3.0
83.02381	6.8
84.00786	1.0
84.01917	1.2
85.02829	7.6
87.00751	1.7
87.04415	1.3
89.02323	8.6
93.03325	1.9
95.01276	1.7
97.02821	1.1
97.06489	1.2
99.00752	1.4
101.02322	11.5
105.79463	0.8
107.04933	1.4
109.02841	2.2
111.00789	2.1
113.02343	7.0
117.03362	10.3
119.03400	1.9
119.04915	5.8
121.02856	2.7
121.95254	0.8
123.00787	2.0
123.04416	2.2
124.01571	1.2
125.02351	2.5
131.03413	3.1
132.02086	8.3
133.02866	16.4
134.03639	78.6
135.04475	13.8
137.02344	15.6
139.03886	4.9
143.03381	1.1
143.04947	3.4
145.02859	34.4
146.03200	1.3
146.08150	1.4
147.04475	1.1
149.02359	1.7
149.04614	1.3
149.05984	21.5
150.03099	1.5
151.03850	0.8
160.01561	31.6
161.02357	34.8
161.04356	5.0
161.05783	1.2
161.09648	3.0
162.02710	1.9
163.03928	6.3
167.03534	1.3
167.04938	9.8
169.06540	1.2
175.03925	41.2
176.04376	1.4
177.01857	1.7
177.05457	2.0
178.02640	38.9
179.03404	11.7
179.05727	1.0
179.10741	1.3
180.03740	0.8
180.05769	3.7
181.06523	3.9
183.04420	2.4
183.10199	1.0
185.06062	2.0
187.11215	1.5
187.15829	0.8
190.02585	1.0
191.03455	1.7
191.05489	1.1
191.07138	0.9
192.04211	14.0
193.04997	79.0
194.05313	4.0
195.04413	0.9
197.06001	2.9
199.40540	0.9
203.07101	3.1
205.05048	3.2
205.12384	1.9
207.04774	1.2
207.06511	6.3
208.05302	6.0
209.06015	17.1
211.03931	2.9
221.04526	4.3
224.04761	1.1
225.05548	7.5
227.07054	4.8
235.06139	1.7
247.06090	2.8
253.05031	100.0
254.05421	8.0
263.05695	0.9
265.07153	2.4
270.07727	1.4
271.06146	7.3
277.12271	1.6
281.12424	1.6
289.07108	1.4
289.65546	0.9
293.08817	0.9
307.08395	4.8
323.07721	46.7
324.08087	5.4
337.09296	37.8
338.09659	3.2
399.23831	4.6
487.19589	8.3
495.22519	1.8
531.15332	24.5
531.24176	4.6
531.29156	6.3
532.15753	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	531.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.8
55.34036	0.2
57.03314	1.1
58.00478	0.3
58.94579	0.2
59.01251	11.9
61.98704	7.2
69.03316	0.4
69.53204	0.7
69.53613	0.9
71.01253	14.5
72.99183	0.9
73.02824	5.0
75.00739	0.6
78.95768	0.4
83.01250	1.9
83.04883	0.3
84.01973	0.4
85.02825	6.3
86.02357	0.3
87.00754	1.1
89.02322	6.3
89.03860	0.3
93.03300	0.7
95.01257	1.3
97.02831	0.6
98.20548	0.3
99.00762	2.2
101.02322	9.3
101.05960	10.6
103.60535	0.3
107.04893	0.6
108.04419	0.5
109.02859	0.5
111.00771	0.8
113.02327	4.7
115.56123	0.2
117.03348	31.3
118.03705	1.1
119.03539	1.4
119.04914	8.6
121.02834	0.9
123.04427	0.6
124.01590	0.3
125.02324	0.8
129.01859	0.5
131.03406	2.3
133.02821	0.8
133.06483	1.1
134.03586	1.6
135.04404	1.4
137.02344	0.8
139.03937	0.4
143.03404	0.7
145.02855	100.0
146.03200	4.4
146.08173	0.6
147.04393	0.3
149.02405	2.1
149.04469	2.1
149.05923	0.5
150.03069	0.4
151.03886	0.3
159.02960	0.6
159.04424	0.7
160.01578	1.5
161.02437	2.2
161.04475	4.5
161.05991	2.0
161.09550	0.3
161.13289	0.3
163.03918	12.7
164.04726	2.1
169.22853	0.3
173.04425	0.4
175.00296	1.9
175.03860	1.4
176.01048	0.6
177.01761	0.3
177.05484	0.9
178.02647	0.8
179.03479	0.8
179.05547	0.6
179.07065	0.7
183.10182	0.3
187.03964	3.3
187.11287	0.5
187.96114	0.3
189.09129	0.3
190.02655	4.4
191.01782	0.3
191.03404	1.1
191.05502	0.9
192.04132	0.4
193.05040	1.7
205.05011	8.8
205.12323	0.8
206.05617	1.0
207.02882	0.5
208.03648	0.6
209.04453	0.3
218.02135	0.5
221.04399	0.6
221.08176	0.8
223.06087	3.8
227.03510	0.3
229.05208	0.4
233.06592	0.3
235.06047	0.9
237.11310	3.0
247.06032	0.6
248.06606	0.4
251.05547	0.5
255.03024	0.5
265.07181	3.5
268.03705	0.5
269.04486	0.7
281.06714	0.7
281.12314	0.3
284.03354	0.4
285.03946	1.8
289.07123	0.4
293.08893	0.3
295.08295	1.1
307.08371	1.9
323.07730	0.7
325.09448	2.1
337.09387	1.5
353.08728	1.4
367.10321	9.0
368.10709	1.0
369.23117	0.3
385.11429	0.7
399.23846	7.4
399.28897	0.6
400.24301	0.4
411.55850	0.3
415.23410	0.3
431.10004	0.9
468.19620	0.4
477.36017	0.3
495.22601	0.4
513.21790	0.4
531.14880	4.1
531.22290	6.4
531.28241	12.1
532.15363	0.9
532.22668	0.9
532.28625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.9
57.03307	1.5
59.01255	22.0
61.98384	1.1
61.98704	15.2
63.69000	0.8
65.17712	0.8
67.69541	0.8
70.68852	1.8
71.01259	18.9
72.99187	2.7
73.02806	4.9
75.00780	1.0
82.95285	1.2
83.01257	3.0
83.02381	6.8
84.00786	1.0
84.01917	1.2
85.02829	7.6
87.00751	1.7
87.04415	1.3
89.02323	8.6
93.03325	1.9
95.01276	1.7
97.02821	1.1
97.06489	1.2
99.00752	1.4
101.02322	11.5
105.79463	0.8
107.04933	1.4
109.02841	2.2
111.00789	2.1
113.02343	7.0
117.03362	10.3
119.03400	1.9
119.04915	5.8
121.02856	2.7
121.95254	0.8
123.00787	2.0
123.04416	2.2
124.01571	1.2
125.02351	2.5
131.03413	3.1
132.02086	8.3
133.02866	16.4
134.03639	78.6
135.04475	13.8
137.02344	15.6
139.03886	4.9
143.03381	1.1
143.04947	3.4
145.02859	34.4
146.03200	1.3
146.08150	1.4
147.04475	1.1
149.02359	1.7
149.04614	1.3
149.05984	21.5
150.03099	1.5
151.03850	0.8
160.01561	31.6
161.02357	34.8
161.04356	5.0
161.05783	1.2
161.09648	3.0
162.02710	1.9
163.03928	6.3
167.03534	1.3
167.04938	9.8
169.06540	1.2
175.03925	41.2
176.04376	1.4
177.01857	1.7
177.05457	2.0
178.02640	38.9
179.03404	11.7
179.05727	1.0
179.10741	1.3
180.03740	0.8
180.05769	3.7
181.06523	3.9
183.04420	2.4
183.10199	1.0
185.06062	2.0
187.11215	1.5
187.15829	0.8
190.02585	1.0
191.03455	1.7
191.05489	1.1
191.07138	0.9
192.04211	14.0
193.04997	79.0
194.05313	4.0
195.04413	0.9
197.06001	2.9
199.40540	0.9
203.07101	3.1
205.05048	3.2
205.12384	1.9
207.04774	1.2
207.06511	6.3
208.05302	6.0
209.06015	17.1
211.03931	2.9
221.04526	4.3
224.04761	1.1
225.05548	7.5
227.07054	4.8
235.06139	1.7
247.06090	2.8
253.05031	100.0
254.05421	8.0
263.05695	0.9
265.07153	2.4
270.07727	1.4
271.06146	7.3
277.12271	1.6
281.12424	1.6
289.07108	1.4
289.65546	0.9
293.08817	0.9
307.08395	4.8
323.07721	46.7
324.08087	5.4
337.09296	37.8
338.09659	3.2
399.23831	4.6
487.19589	8.3
495.22519	1.8
531.15332	24.5
531.24176	4.6
531.29156	6.3
532.15753	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	531.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.1
57.03313	2.3
59.01251	14.3
61.98709	4.3
67.38148	0.7
69.03329	1.3
69.43697	0.5
69.45838	4.8
71.01254	14.2
72.99178	2.2
73.02823	4.9
75.00727	0.7
81.03379	0.7
83.01268	1.9
85.02817	7.8
87.00755	2.0
89.02315	6.0
93.03329	1.7
95.01271	1.0
95.04916	1.5
96.66398	0.7
97.06472	4.0
99.00759	1.9
101.02328	11.2
103.03889	1.4
107.04924	1.0
109.02800	0.7
111.00707	1.1
113.02322	4.3
119.03403	0.9
119.04963	0.8
119.07052	0.7
121.02850	2.2
123.04388	1.8
125.02345	3.5
129.75246	0.6
131.03406	1.8
132.02077	7.3
133.02855	4.4
134.03636	55.4
135.04189	1.4
137.01382	1.0
137.02342	10.2
137.09608	0.9
139.03923	3.8
143.03433	0.8
145.02855	1.9
146.03658	0.9
148.05228	7.5
149.02362	0.8
149.04619	1.2
149.05991	15.0
150.03116	1.7
151.03883	0.8
153.01859	0.8
153.05424	0.8
159.06548	1.2
160.01572	29.3
161.02399	3.5
161.04485	5.1
161.05771	1.2
161.09651	1.0
163.06068	1.7
163.07559	5.7
165.01886	0.7
173.04451	1.1
175.03928	28.4
176.04277	1.2
178.02632	35.4
179.03236	2.6
187.11209	0.9
189.09094	0.9
191.05586	4.3
192.04256	1.7
193.04993	100.0
194.05344	5.0
205.05194	0.8
205.12253	0.9
255.30626	0.7
320.35934	0.7
323.07693	5.0
337.09277	33.7
338.09509	4.1
339.08670	1.5
399.23834	7.6
439.10767	0.7
471.18182	0.9
531.15857	10.5
531.28760	13.8
532.15393	2.1
532.28735	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07800	1.4
52.48101	1.5
54.07977	1.4
55.01759	2.3
57.03322	2.6
59.01252	100.0
60.01568	1.7
60.45714	1.4
61.98699	7.4
65.96618	1.3
66.72500	1.3
69.03325	5.0
69.39050	2.9
69.39460	6.7
71.01254	52.0
72.98813	1.3
72.99194	5.0
73.02829	19.6
81.03333	4.1
83.01262	6.6
85.02824	18.5
87.00763	2.8
89.02320	34.0
93.03333	3.4
97.02812	7.6
99.00754	3.2
101.02319	40.6
103.03895	33.7
103.04546	2.5
109.02832	1.5
113.02334	4.4
114.10992	1.5
115.36030	1.2
119.03451	15.8
119.04912	53.6
120.05270	3.1
123.04361	1.7
125.02348	39.4
125.92650	1.6
126.02731	1.8
127.03948	3.9
137.02362	6.6
143.03377	4.2
145.04964	5.6
147.00694	2.5
148.05200	38.2
149.02330	1.6
149.05563	2.0
151.03954	2.6
161.02344	2.0
161.04453	1.9
163.03917	47.9
163.06027	31.8
163.07541	13.5
164.04437	2.6
164.06418	1.5
167.03526	1.5
175.00261	5.7
176.01054	1.8
177.05568	1.8
179.10573	1.5
190.02643	17.2
204.04247	3.6
205.05025	12.9
205.06949	2.2
208.03619	1.7
210.88434	1.4
219.06577	3.4
229.07101	1.7
247.08165	10.2
281.06659	7.8
289.09445	1.7
307.10370	22.8
353.08698	4.0
355.10504	1.5
367.10382	16.1
368.10593	3.3
369.16949	2.0
391.64624	1.6
465.21796	1.5
476.15659	1.6
531.15314	14.3
531.23322	2.3
532.15479	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	531.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11175	0.5
53.32858	0.5
57.03324	1.5
58.00455	1.0
59.01249	22.9
61.98701	10.9
69.03339	0.6
69.65324	1.4
69.65731	2.7
71.01255	18.4
72.99188	2.2
73.02814	3.7
75.00742	0.7
83.01255	2.4
85.02829	6.0
87.00762	1.7
89.02312	10.9
90.60905	0.7
93.03334	2.6
93.76775	0.6
95.01274	1.7
96.95908	1.1
97.06480	0.9
99.00739	1.4
101.02319	10.6
108.04435	19.2
109.02828	1.4
111.64180	0.6
113.02336	6.4
115.03996	0.6
117.03350	24.1
119.03439	2.1
119.04916	63.1
120.05246	2.8
121.02846	4.0
123.00880	0.6
123.04411	3.5
123.05167	0.6
125.02331	3.4
131.03380	2.2
132.02069	1.6
132.05699	2.3
133.02852	0.9
133.06497	14.4
134.03639	3.7
135.04477	0.8
136.68430	0.6
137.02324	1.6
139.03918	0.7
143.03355	1.1
143.05089	0.7
145.02856	99.7
146.03194	5.5
149.02362	2.5
149.04439	1.6
149.05977	1.6
150.05518	9.9
151.03899	1.5
153.05460	2.1
159.02924	0.9
159.04419	1.0
160.01588	6.1
161.02367	1.3
161.04526	4.1
161.05977	38.0
162.03194	1.3
162.06323	1.6
163.03917	71.3
164.04294	4.3
173.05882	0.7
175.03922	9.7
176.01065	0.7
177.05496	9.9
178.05833	1.1
179.05615	0.7
187.03915	3.6
191.05518	1.2
191.07140	0.9
193.01379	0.9
193.04993	2.3
203.03435	0.7
205.05000	47.0
206.05327	2.6
208.03706	2.1
217.05020	1.0
223.06097	3.3
235.06079	51.9
236.06378	3.7
259.06107	0.9
265.07166	100.0
266.07471	8.5
266.42804	0.6
269.04620	0.9
289.07220	1.2
292.43311	0.6
307.08258	3.5
325.09320	8.8
326.09460	1.3
337.09253	13.1
351.21951	0.7
399.23962	3.0
402.43130	0.6
447.58038	0.6
513.21686	0.9
531.14966	2.5
531.29089	7.1
532.28552	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	531.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.1
55.36892	0.7
57.03318	2.7
58.00467	1.4
59.01250	30.7
61.98700	12.5
69.36062	0.9
69.36401	6.4
71.01258	21.8
72.99183	1.7
73.02813	4.6
75.00751	1.9
80.25204	0.7
83.01264	3.2
85.02827	6.9
87.00758	1.5
89.02322	11.2
93.03328	2.7
95.01286	1.8
96.95896	0.6
97.02804	1.6
97.06499	1.0
98.19804	1.7
99.00769	1.8
101.02329	13.8
108.04434	20.2
109.02836	1.0
111.00800	0.8
111.04433	1.0
113.02352	7.6
117.03351	24.1
118.03580	0.8
119.03454	2.4
119.04923	62.0
120.05270	3.5
121.02818	3.6
123.04420	3.4
124.01508	0.9
125.02340	3.3
131.03404	3.0
131.04901	1.3
132.02124	1.7
132.05716	4.6
133.02808	0.9
133.06493	13.0
134.03638	3.9
134.06880	0.8
137.02397	0.8
143.03354	1.4
145.02858	95.8
146.03169	5.0
149.02336	1.9
149.04443	2.0
149.06007	1.7
150.05507	7.8
151.03867	0.7
153.05507	2.4
159.02962	0.7
159.04419	2.3
160.01596	7.4
161.02345	1.0
161.04515	4.9
161.05977	35.4
162.03159	1.2
162.06340	2.8
163.03928	65.0
164.04417	3.8
167.03375	0.9
175.03934	9.7
177.05472	9.0
179.06967	0.8
187.03963	5.0
189.96245	0.8
190.02751	1.0
191.03571	0.8
191.05515	1.5
193.04974	3.8
205.05016	44.5
206.05457	3.6
208.03746	2.2
217.04993	1.5
223.06071	4.3
229.05072	1.1
235.06094	46.8
236.06462	2.5
245.04422	1.0
259.06088	1.4
265.07178	100.0
266.07535	7.4
287.05316	1.0
289.07263	1.0
307.08295	4.1
325.09314	9.5
337.09332	13.4
399.23773	2.8
513.20898	1.1
531.14746	1.8
531.28784	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.3
56.14153	0.4
57.02502	0.6
57.03318	1.6
58.00468	1.0
59.01253	28.2
61.44502	0.5
61.98703	13.0
64.68777	0.4
69.03341	0.6
70.02815	0.5
70.69791	0.5
71.01257	26.0
71.04894	3.2
72.01561	0.6
72.99176	1.9
73.02819	4.2
75.00733	1.9
78.65575	0.5
83.01268	2.3
83.02386	2.1
84.00782	0.7
85.02826	9.7
87.00748	1.3
88.03921	1.8
89.02318	17.0
90.02624	0.7
92.63036	0.4
93.03329	1.1
95.01276	1.8
96.95866	0.5
97.06464	0.5
98.20540	1.2
99.00758	2.6
99.04382	0.7
101.02331	14.1
101.03001	0.7
101.05963	1.7
101.27706	0.4
102.02704	0.7
109.02856	1.2
111.00772	0.9
113.02335	8.0
117.03355	29.0
118.03709	1.5
119.03447	4.5
119.04912	13.0
120.05235	0.6
121.02844	1.3
123.04382	0.9
125.02366	2.3
129.01843	2.0
129.05524	0.5
130.26643	0.4
131.03400	2.5
133.02884	2.1
133.06479	0.6
135.04462	2.3
135.08006	0.4
137.02332	1.9
139.00308	0.4
143.03416	1.2
145.02863	100.0
146.03218	4.9
146.07047	1.0
146.08136	13.0
147.04402	0.6
148.05171	0.5
149.04480	5.5
149.05728	0.7
153.09169	1.4
159.02971	0.7
161.02368	5.3
161.04486	4.4
161.05992	1.9
163.03926	11.5
175.03949	1.0
177.05516	1.5
179.03445	2.2
179.05537	2.4
179.10741	1.9
187.03972	0.6
189.12752	0.5
190.02475	0.5
190.12505	0.4
191.05531	1.6
200.09160	0.9
200.95001	0.5
201.44540	0.4
205.05081	3.0
205.12282	5.0
206.12570	0.6
218.10326	2.4
221.04626	0.9
223.13342	1.9
235.06107	1.5
251.05487	1.1
265.07321	3.3
281.06635	2.1
307.08240	19.2
308.08524	2.1
325.23779	2.0
339.18137	0.5
341.08707	0.9
357.26483	2.6
369.22784	0.9
399.23846	5.6
425.29312	0.6
431.19177	0.6
471.26221	1.0
487.19800	8.1
487.29144	1.8
513.21240	13.0
514.21454	2.7
531.22400	26.1
531.28619	8.3
532.22211	5.4
532.28821	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	531.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.2
57.03327	19.7
58.00474	0.7
59.01255	16.1
59.64125	0.5
61.98705	14.6
63.99100	0.5
69.03312	0.6
70.94098	1.0
71.01257	16.6
72.99174	1.2
73.02837	3.3
73.03184	0.5
75.00746	3.8
77.86336	0.5
83.01261	4.7
84.02032	1.9
85.02828	100.0
86.03167	2.1
87.00765	1.5
89.02331	9.0
95.01263	1.2
96.95908	1.6
97.02831	0.8
99.00773	1.7
101.02326	10.7
111.00782	3.3
113.02325	4.3
113.46716	0.5
119.03399	1.7
125.02342	1.4
129.01840	79.6
130.02188	2.0
131.03412	4.2
143.03403	1.3
145.02849	1.7
149.04486	3.8
159.02943	1.2
161.04465	4.7
167.10832	0.6
171.46741	0.5
173.00848	35.2
174.01251	0.8
179.05553	0.7
185.11818	1.5
191.01958	1.0
191.05443	1.3
233.06689	1.0
246.92310	0.6
297.24487	0.9
325.23877	1.3
327.25357	4.0
333.20825	1.4
339.25510	1.4
357.26465	20.7
357.30927	1.1
358.26859	3.0
369.22787	1.3
399.23862	8.1
400.24304	0.8
487.29303	5.1
488.29614	0.8
531.27509	9.8
532.29028	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	531.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.5
57.03327	11.3
58.00471	2.9
59.01254	100.0
61.71478	1.3
61.98703	5.8
69.03347	1.9
69.30578	5.9
69.31004	4.4
71.01256	95.8
72.99184	4.9
73.02824	21.2
75.00751	2.1
82.95303	4.0
83.01260	8.7
83.02407	4.2
83.04900	5.1
85.02831	34.8
85.99992	1.6
87.00742	10.9
89.02322	41.9
95.01249	4.5
96.95905	3.1
97.02809	2.5
97.06445	1.8
99.00786	9.5
101.02319	50.6
102.02637	1.7
109.06483	19.7
111.00780	2.7
113.02332	36.8
113.09633	1.5
119.03373	9.8
125.02355	6.0
129.01883	1.8
131.03383	10.9
135.00732	1.2
143.03381	5.0
145.02843	4.5
149.04449	8.1
150.41217	1.3
157.53127	1.4
159.02904	8.5
160.01544	1.4
161.04468	44.9
161.05818	2.8
163.03978	1.4
171.06519	6.7
179.05501	5.3
191.05521	4.2
193.15929	16.9
221.06607	5.1
229.19562	2.3
233.06686	1.5
243.08714	6.0
247.20645	5.7
285.04086	2.8
291.19672	34.5
292.20038	3.5
294.38516	1.5
302.80765	1.5
309.20767	1.4
329.24081	1.5
333.11902	19.9
334.12177	1.9
353.10620	1.6
399.23984	3.8
453.24969	4.5
471.25955	55.7
472.26392	10.3
531.27423	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	531.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54720	1.2
55.01768	1.9
57.03334	6.2
58.00459	3.8
59.01252	100.0
60.01565	1.4
61.23420	1.4
61.98704	55.6
64.43260	1.2
71.01255	67.9
71.59238	1.3
72.99192	4.8
73.02834	7.2
79.95620	1.4
83.01263	5.5
85.02827	20.1
87.00767	3.2
89.02318	79.2
90.02706	1.3
93.03366	2.1
95.01283	4.7
96.95890	14.1
97.02821	2.1
97.06490	1.2
99.00759	5.7
101.02324	36.7
109.37394	1.2
113.01622	1.9
113.02341	21.1
117.03394	1.4
119.03394	21.7
125.02322	5.9
125.09624	1.6
129.01854	7.8
131.03387	8.7
137.02315	3.3
143.03406	5.0
145.02885	2.4
149.04472	15.3
161.04474	11.7
162.71109	1.4
163.03842	2.1
173.00914	1.9
177.84245	1.4
179.05539	14.6
185.11722	3.9
191.05637	1.6
233.06711	2.0
259.57983	1.3
309.20889	1.5
311.05539	1.5
357.26520	2.0
399.23804	6.1
411.13364	2.0
415.11984	1.5
471.25952	2.1
497.96194	1.5
531.15228	3.9
531.28033	25.2
532.27972	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	532.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.4
57.73454	0.2
58.02871	0.1
59.01250	2.6
60.96899	0.2
61.98703	100.0
71.01255	2.0
72.01560	0.2
72.99187	0.3
73.02829	0.5
73.93475	0.2
83.01284	0.3
84.85560	0.1
85.02831	1.7
87.00788	0.2
89.02319	1.5
91.25948	0.1
93.03368	0.2
96.95907	0.3
99.00761	0.2
101.02331	1.5
111.00747	0.2
113.02349	0.6
119.03447	0.1
123.04440	0.5
124.01587	0.5
125.02338	0.3
129.01848	0.4
131.03432	0.3
137.02400	0.4
137.47412	0.1
139.03922	1.0
145.02879	0.6
149.04480	0.5
151.07599	0.4
153.05479	0.5
161.02377	0.3
161.04497	0.4
175.04034	0.2
193.07071	0.2
195.06516	0.7
219.06644	0.3
357.26498	0.2
359.27994	0.4
361.27469	0.1
389.17371	0.1
400.24228	0.3
401.25421	0.2
427.30685	0.4
532.28345	0.5
533.23297	0.2
533.32654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.094
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.92780	1.1
59.01256	19.4
59.64818	1.3
61.98706	6.4
64.76205	1.2
69.76444	5.8
71.01259	11.6
72.99220	1.4
73.02829	5.2
83.01260	1.6
85.02821	4.6
88.98684	1.4
89.02314	10.1
93.03321	1.7
97.57468	1.1
98.19786	1.2
100.52798	1.2
101.02323	6.5
107.01274	2.9
109.02813	1.7
113.02322	4.3
119.03378	4.7
119.04919	1.5
121.02845	1.8
123.04379	2.3
125.02380	1.7
132.02007	1.1
135.00749	2.1
137.02345	1.4
143.05020	1.4
145.02841	2.6
149.02328	1.3
150.27913	0.9
151.00250	2.8
155.83778	1.1
160.89275	1.1
161.02420	1.4
161.04427	2.6
163.00284	4.2
171.04375	1.3
175.03833	1.4
177.01817	1.4
179.05551	2.9
183.10042	1.0
185.05998	1.5
187.03876	2.8
187.80789	1.1
195.02873	1.4
195.04469	1.3
199.03905	1.9
211.03964	2.6
213.05479	1.3
227.03462	29.4
227.12784	1.5
228.03848	2.7
229.04996	11.9
230.05511	1.2
239.03415	2.2
240.04416	1.3
241.05110	1.2
255.02977	64.3
256.03455	8.2
257.04526	5.8
284.03275	80.1
285.04016	100.0
286.04480	10.3
353.10376	2.3
442.82126	1.0
489.10403	48.5
489.17688	2.4
490.10693	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	533.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.7
57.03331	1.7
58.00486	1.1
59.01256	28.9
61.98708	14.6
71.01258	23.9
71.04903	0.6
72.99192	2.9
73.02821	8.3
75.00782	1.2
83.00223	0.5
83.01259	4.4
85.02824	9.2
87.00781	2.4
89.02324	14.7
95.01282	2.3
95.04908	1.1
97.02850	0.5
97.06514	1.7
98.20499	1.2
99.00767	7.0
101.02328	13.0
104.02577	0.5
109.02843	0.6
110.27734	0.5
113.02327	5.9
113.02937	0.5
117.03364	8.5
117.23661	0.5
118.03712	0.7
119.03424	2.6
119.04895	3.8
120.05266	0.5
123.04405	0.9
124.01570	1.0
125.02362	2.8
125.09629	1.4
131.03421	2.0
132.02072	21.1
133.02913	4.0
134.03642	20.8
135.04440	1.2
137.02377	1.7
138.01863	0.7
139.03970	1.3
143.03363	0.8
145.02864	24.5
146.03253	1.4
149.02412	1.0
149.04498	1.6
149.05994	3.1
150.03139	0.8
151.00262	0.7
151.03981	0.7
153.09113	0.8
159.02895	0.6
160.01579	91.7
161.01944	4.9
161.04465	2.1
161.05679	0.5
163.03917	2.8
165.05527	1.0
167.10742	0.7
171.10205	2.3
175.03931	100.0
176.04285	6.8
177.01883	1.2
177.05453	1.0
178.02647	1.6
179.03439	1.0
185.11775	1.8
190.02626	0.7
191.05539	1.8
193.05008	26.6
194.05316	1.3
205.04951	0.7
221.15585	0.7
235.06070	1.2
243.16147	0.6
259.06042	1.4
265.07199	0.7
269.04480	0.6
335.22260	0.8
341.23294	1.9
353.23337	5.1
371.19943	0.7
371.24405	12.4
397.11560	0.7
401.21625	1.7
473.27591	1.8
515.28448	1.7
533.16486	48.2
533.29333	72.3
534.17236	10.4
534.23865	1.2
534.30872	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	533.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.7
57.03331	1.7
58.00486	1.1
59.01256	28.9
61.98708	14.6
71.01258	23.9
71.04903	0.6
72.99192	2.9
73.02821	8.3
75.00782	1.2
83.00223	0.5
83.01259	4.4
85.02824	9.2
87.00781	2.4
89.02324	14.7
95.01282	2.3
95.04908	1.1
97.02850	0.5
97.06514	1.7
98.20499	1.2
99.00767	7.0
101.02328	13.0
104.02577	0.5
109.02843	0.6
110.27734	0.5
113.02327	5.9
113.02937	0.5
117.03364	8.5
117.23661	0.5
118.03712	0.7
119.03424	2.6
119.04895	3.8
120.05266	0.5
123.04405	0.9
124.01570	1.0
125.02362	2.8
125.09629	1.4
131.03421	2.0
132.02072	21.1
133.02913	4.0
134.03642	20.8
135.04440	1.2
137.02377	1.7
138.01863	0.7
139.03970	1.3
143.03363	0.8
145.02864	24.5
146.03253	1.4
149.02412	1.0
149.04498	1.6
149.05994	3.1
150.03139	0.8
151.00262	0.7
151.03981	0.7
153.09113	0.8
159.02895	0.6
160.01579	91.7
161.01944	4.9
161.04465	2.1
161.05679	0.5
163.03917	2.8
165.05527	1.0
167.10742	0.7
171.10205	2.3
175.03931	100.0
176.04285	6.8
177.01883	1.2
177.05453	1.0
178.02647	1.6
179.03439	1.0
185.11775	1.8
190.02626	0.7
191.05539	1.8
193.05008	26.6
194.05316	1.3
205.04951	0.7
221.15585	0.7
235.06070	1.2
243.16147	0.6
259.06042	1.4
265.07199	0.7
269.04480	0.6
335.22260	0.8
341.23294	1.9
353.23337	5.1
371.19943	0.7
371.24405	12.4
397.11560	0.7
401.21625	1.7
473.27591	1.8
515.28448	1.7
533.16486	48.2
533.29333	72.3
534.17236	10.4
534.23865	1.2
534.30872	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	533.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.6
59.01246	1.8
71.01242	1.4
71.52649	0.7
73.02799	0.7
83.04912	0.6
85.02825	11.2
87.00742	3.7
93.03334	3.6
94.58672	0.5
96.95913	0.6
101.02342	0.5
109.02803	1.1
111.04400	1.0
115.88573	0.5
127.03886	2.0
129.01839	2.7
135.04390	0.7
147.02899	1.3
171.03023	0.9
173.04468	1.2
179.03439	0.5
191.02023	3.4
191.05542	100.0
192.05925	3.9
271.09860	0.7
351.43384	0.5
359.07755	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.5
56.63298	0.4
57.03322	2.4
58.00464	0.5
59.01254	19.4
61.98687	0.6
69.03327	0.6
69.84642	1.6
71.01257	21.6
72.99167	1.2
73.02814	10.7
75.00747	0.7
81.03339	0.5
81.73533	0.4
83.01270	2.8
85.02346	0.6
85.02822	7.8
87.00771	1.2
89.02319	13.7
95.01244	1.4
97.02819	0.8
99.00763	11.7
101.02322	14.9
113.02322	4.8
115.03871	1.1
119.03372	1.2
123.08020	2.2
125.02328	1.3
131.03397	2.0
143.03384	0.9
149.04433	1.1
159.02878	0.5
161.04456	1.8
174.82503	0.4
177.12747	2.7
191.05519	2.6
195.13850	1.9
202.92702	0.4
221.11771	1.5
233.06609	0.5
313.14255	0.4
357.19446	0.5
401.18213	1.1
447.71335	0.4
533.22400	100.0
534.22723	17.1
534.30768	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01596	1.1
61.98708	0.7
62.48557	0.2
69.97118	1.0
71.01247	1.5
73.02834	0.9
84.88272	0.3
85.02831	0.6
86.45129	0.3
89.02332	0.7
93.96599	0.3
94.98569	0.2
98.20407	0.3
98.63112	0.3
100.73975	0.3
101.02338	1.5
104.60655	0.2
113.02348	0.6
120.10959	0.3
121.58604	0.3
144.78496	0.3
177.36446	0.3
181.88014	0.3
251.20215	0.4
256.14526	0.3
291.81250	0.3
383.55515	0.3
413.25720	0.4
431.26599	2.1
473.27643	6.5
474.28067	0.8
482.73203	0.3
533.21857	0.3
533.29944	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49062	0.7
55.01752	1.6
56.40568	0.9
57.03310	1.7
58.00456	3.1
59.01252	76.6
60.01583	1.4
61.98692	2.2
65.32053	0.8
66.41181	0.8
71.01256	30.4
72.99166	3.1
73.02802	4.1
83.01251	3.0
83.14379	0.8
85.02823	8.5
87.00752	1.1
89.02320	27.8
90.02651	1.0
95.01257	2.4
96.95869	1.8
98.32221	1.0
99.00768	1.5
101.01697	1.3
101.02329	18.1
102.53590	0.8
109.06466	3.9
113.02332	11.0
119.03383	12.2
135.21121	0.8
143.03377	2.6
159.02789	0.9
161.04478	5.3
179.05528	3.5
193.28461	0.8
231.21162	17.6
232.21434	1.9
249.22234	1.9
254.05817	1.0
269.08133	2.6
284.10654	0.9
293.21304	11.6
294.21643	1.8
311.22244	3.8
312.09766	1.3
323.44223	0.8
327.12222	4.0
458.89709	0.8
463.17578	5.2
473.27551	100.0
474.27927	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	534.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.4
61.98705	100.0
71.01271	0.9
71.09406	0.2
71.09739	0.2
72.52679	0.1
78.95796	0.4
85.02837	0.4
85.72726	0.2
87.00753	1.1
89.02337	0.5
96.95943	0.2
99.00754	0.2
101.02349	0.5
109.59885	0.2
113.02350	0.3
119.03376	0.2
125.02386	0.3
138.30205	0.2
141.15169	0.2
152.99516	0.7
155.12062	0.2
161.04507	0.3
165.01872	0.2
312.22604	0.2
355.30295	0.2
465.59598	0.2
465.67706	0.2
535.19604	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78967	0.6
55.07730	0.7
57.03318	1.5
59.01252	22.6
61.98700	2.0
69.39029	3.7
71.01256	9.9
72.99200	0.9
73.02824	3.3
75.00742	1.8
81.03336	0.8
82.34946	0.8
83.01256	1.6
85.02836	3.9
87.00764	4.6
87.04398	2.5
89.02308	5.4
89.05949	5.0
93.03336	1.1
95.01267	1.7
95.04919	1.4
101.02322	6.3
101.05955	1.2
108.02048	0.9
109.02826	1.4
113.02314	3.4
117.03367	2.2
119.03408	1.0
119.04964	0.8
121.02840	7.5
122.03637	0.9
123.04410	77.6
124.04745	2.7
125.02342	2.3
132.02069	13.1
133.02847	2.0
134.03638	19.2
135.02934	3.2
135.04393	2.3
136.01607	1.1
137.02348	2.6
138.03151	1.2
139.03922	1.2
145.02881	4.6
149.02299	3.8
149.05980	4.0
151.03894	1.3
153.05484	100.0
154.01399	0.8
154.05847	5.2
160.01576	61.7
161.02283	5.4
161.04439	1.2
163.03908	7.7
164.04707	28.4
165.01840	0.7
165.05304	2.3
167.03456	1.4
167.07111	0.9
170.76265	0.7
175.03931	77.3
176.01079	0.8
176.04321	4.0
177.01823	1.2
178.02650	2.6
178.06267	1.9
179.03479	1.4
179.05536	2.0
179.07039	18.9
181.04916	0.9
182.05745	1.0
190.02728	0.8
191.03465	1.4
191.07089	1.2
193.04993	20.0
194.05324	1.4
195.06525	0.8
196.06886	0.7
197.08177	1.2
203.07010	0.6
205.05042	1.5
206.03807	0.7
208.98688	0.6
209.04506	1.4
217.05000	1.0
235.06009	1.5
237.07681	7.5
265.07202	2.7
269.06665	0.9
289.07178	4.1
315.10715	0.6
337.09286	27.2
338.09674	2.5
355.24881	1.8
365.94684	0.8
373.26077	2.4
411.13098	1.1
445.11575	0.9
517.17139	36.7
518.17493	6.8
535.18549	13.8
535.31317	21.9
536.11340	0.8
536.18787	2.4
536.31812	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	535.1821
Annotation	1-Hydroxypinoresinol 1-glucoside
Peak:m/z	Relative Intensity
57.34360	0.4
59.01250	8.7
61.98695	1.4
69.78970	1.7
69.79389	1.1
70.38146	0.4
71.01254	2.9
73.02814	2.5
83.01238	0.6
85.02822	1.5
87.00761	0.7
89.02326	1.9
93.03335	1.5
96.95880	0.7
97.70403	0.5
101.02317	1.3
108.02063	1.4
109.02824	2.0
113.02325	1.0
119.03359	0.8
119.04908	0.6
120.90955	0.6
121.02847	15.6
122.03277	0.5
123.00755	0.7
123.04420	2.9
125.02364	2.3
133.02792	0.7
134.03612	1.1
135.04405	2.0
137.02322	1.3
145.02843	4.3
147.04388	4.8
149.02425	0.5
149.05960	1.3
151.00290	0.8
151.03827	0.6
153.01791	0.7
153.05525	0.9
159.04433	1.1
160.05212	1.4
161.02379	1.9
161.06035	1.0
162.06764	0.7
163.03867	0.8
164.04718	1.0
167.03458	0.7
173.05974	0.9
175.03891	0.7
175.07506	0.9
177.05443	1.1
179.03421	1.2
180.51645	0.5
193.05014	0.6
194.05734	2.1
197.05989	0.6
209.06050	0.7
211.04025	0.5
211.07643	0.9
212.04787	0.7
219.06551	0.7
223.07605	0.6
224.04718	0.7
225.05504	1.3
225.09146	1.4
226.06297	0.5
227.07103	1.2
237.05475	1.7
239.07094	3.0
240.04234	1.6
240.07478	0.6
241.05058	2.7
241.08652	1.0
251.07016	1.4
252.07866	1.1
253.05046	2.0
253.08607	2.2
254.05754	2.1
255.06587	8.8
256.07263	1.0
257.08026	0.7
259.06088	1.6
263.07150	1.7
264.07864	1.1
265.08633	1.3
266.05823	1.3
267.06613	15.1
267.09637	1.0
268.07272	6.3
269.04916	1.1
269.08179	27.4
270.08582	2.0
279.10306	0.7
280.07452	4.5
281.08191	9.1
282.08963	2.5
283.09741	15.4
284.10422	6.2
287.05670	1.1
295.09766	8.3
296.07318	0.8
296.10464	2.9
297.11148	0.9
298.08517	0.7
298.11905	0.6
299.12833	2.0
310.08453	1.3
311.09268	20.5
312.09705	3.0
313.07333	0.7
323.09149	1.5
325.07056	2.8
325.10791	1.3
326.07425	0.6
328.09454	9.3
329.09988	1.4
329.13931	3.3
337.10312	0.6
339.08746	0.6
340.09521	26.5
341.09912	3.1
343.11844	100.0
344.12192	11.9
355.11859	61.5
355.16498	0.6
356.12146	7.7
367.11545	0.6
373.12875	17.5
374.13498	2.3
375.55508	0.6
385.12894	1.6
521.71509	0.7
535.18738	7.7
535.27240	0.9
536.18762	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
57.03312	0.7
59.01253	15.3
61.98699	7.0
64.82472	0.5
71.00899	0.7
71.01254	10.4
71.34406	1.1
72.99186	1.2
73.02802	2.2
83.01256	1.3
85.02830	5.0
87.00741	1.0
87.40916	0.5
89.02322	6.0
89.03887	0.6
95.01252	1.1
99.00725	1.0
101.02331	5.8
105.03377	0.8
108.02052	5.1
109.02838	2.3
111.00765	0.7
113.02346	3.7
117.03358	6.0
118.17176	0.5
119.03400	1.6
119.04912	1.0
121.02843	2.1
122.03663	2.6
123.00760	0.7
123.04414	1.7
125.02370	1.4
125.99120	0.5
132.02068	23.9
133.02893	7.1
134.03635	40.3
135.04324	2.6
136.01617	0.7
137.02333	1.9
145.02861	13.2
146.03656	2.8
147.00743	0.7
147.04425	1.4
149.02310	1.2
149.05991	4.7
151.00217	0.7
151.03941	0.8
152.01054	3.4
152.04659	3.3
153.01828	1.8
153.05521	0.7
159.02950	0.6
160.01573	100.0
161.02351	16.8
161.04491	1.4
161.06012	1.6
162.02776	0.8
163.03880	1.8
164.04704	3.9
165.05469	1.4
167.07039	1.2
170.94150	0.5
175.03925	95.2
176.01059	2.0
176.04399	6.7
177.01839	1.2
177.05455	0.6
178.02631	2.3
179.03400	2.1
179.05589	1.1
179.07051	4.1
182.05807	2.1
190.02650	4.9
191.03421	2.2
191.07072	4.0
192.04056	0.9
193.04991	42.4
194.05350	1.9
196.03703	0.8
197.08179	3.7
205.04977	4.7
206.05473	0.6
207.06554	2.4
211.06041	0.7
217.05003	0.6
221.04384	0.7
223.05971	0.8
235.06047	12.1
236.06448	0.6
247.99760	0.5
252.05078	0.6
265.06995	2.9
295.08182	3.4
303.05237	0.5
312.95569	0.7
315.07285	1.2
327.10995	0.8
355.11887	0.9
367.10355	2.5
373.22217	0.7
535.18347	81.6
535.26251	10.1
536.18701	14.4
536.26422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1974
Annotation	Boehmenan H
Peak:m/z	Relative Intensity
59.01252	2.2
61.98703	4.7
69.24371	1.3
69.24782	2.5
71.01264	0.5
78.95826	0.5
83.35957	0.5
89.03862	1.8
101.02295	0.7
105.03345	1.6
107.04891	0.5
108.02076	0.8
109.02822	0.8
112.12943	0.5
117.03363	4.7
119.04916	1.5
121.02859	3.3
121.73719	0.4
122.03590	0.8
123.04452	0.7
125.02328	0.5
132.02069	6.2
133.02859	12.4
134.03635	68.8
135.04453	22.0
136.01613	3.0
136.04823	0.6
137.02357	8.1
138.02654	0.6
139.03905	2.7
145.02849	1.1
146.03584	0.6
147.04410	3.2
148.05251	2.7
149.02322	0.8
149.06003	6.7
150.03156	1.1
151.03914	2.4
153.05490	0.8
160.01575	15.9
161.02364	10.7
161.04550	0.6
161.05968	0.6
162.03020	0.7
163.03883	0.8
164.04735	0.6
165.01755	0.7
165.05516	0.6
175.03925	11.3
176.04274	0.8
177.01915	1.0
177.05496	1.1
177.47827	0.5
178.02632	4.1
179.03432	17.2
179.06960	0.7
180.03804	0.6
181.05040	0.5
187.03879	0.4
189.05435	0.8
190.06154	0.6
193.04997	33.4
194.05371	1.5
205.08641	0.6
207.06612	2.1
300.19113	0.4
326.11514	0.7
327.12393	0.9
341.13763	1.3
520.17297	4.9
535.19702	100.0
536.20074	20.1
561.68054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.7
57.03330	1.7
58.00476	1.8
59.01254	38.6
60.01566	0.6
61.98706	16.8
69.03336	0.8
70.08468	0.5
71.01256	32.3
71.04912	0.6
71.54425	1.1
72.99194	3.0
73.02815	3.7
75.00758	0.8
81.03320	0.7
83.01261	2.5
85.02826	6.4
87.00772	2.8
89.02319	46.2
95.01277	2.4
97.02850	0.7
99.00763	1.9
101.02331	17.8
102.02740	0.8
107.04924	0.6
108.02096	0.8
109.02846	0.7
111.00735	0.6
113.02330	13.5
114.02692	0.8
117.03300	0.9
119.03391	16.8
121.02827	2.4
122.03661	1.2
123.00774	0.5
123.04417	2.5
124.01534	3.6
125.02348	15.3
131.03403	3.3
134.03696	1.1
135.04427	18.5
136.04742	0.8
137.02377	2.8
138.03104	1.1
139.03938	3.4
143.03395	3.0
145.02853	1.8
146.03578	1.1
147.29289	0.5
147.75893	0.5
148.05132	0.8
149.02351	1.7
149.04483	1.9
149.05984	1.7
149.99490	4.1
151.03931	1.2
153.01891	0.8
153.05531	1.0
161.04468	4.2
161.05891	1.0
163.03925	100.0
164.04314	4.7
165.05565	0.7
167.03430	0.8
168.00565	6.2
171.10170	0.9
173.57553	0.5
177.01668	0.6
177.05408	0.6
178.06273	71.5
179.05515	7.9
179.06940	8.3
180.05864	0.7
193.08640	68.8
194.08954	4.7
197.08235	0.8
205.08606	0.7
206.05789	1.5
207.06584	1.4
221.08136	1.4
223.16994	0.5
239.09253	2.1
311.09415	0.6
312.62479	0.6
313.05542	0.8
326.10141	1.4
327.12360	1.1
341.12381	10.1
342.12836	0.8
342.82260	0.5
343.11826	1.8
343.21146	1.5
355.24878	1.0
358.14117	1.3
359.27982	1.5
373.12051	0.6
373.16550	8.4
373.25970	2.9
374.17029	1.3
415.27121	0.7
475.29138	2.3
535.14240	9.5
535.21356	0.6
535.31171	8.9
536.14960	1.8
536.32245	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	6.0
61.98706	11.2
66.80267	1.2
71.01244	2.5
71.54186	1.2
71.54546	1.5
78.95786	1.6
85.02840	1.6
89.02299	1.3
93.03333	1.6
96.84665	1.1
97.29400	1.2
104.67693	1.2
105.06973	1.9
107.04887	1.4
108.02046	7.3
119.04903	2.6
121.02847	6.9
123.04388	3.9
133.06537	2.1
134.03592	2.9
135.04434	3.1
136.01596	3.1
137.02336	4.4
145.10022	1.5
146.03600	9.5
147.04417	2.0
148.05159	2.2
149.02332	4.4
149.05998	6.7
150.03131	7.9
151.03917	4.2
152.99484	1.5
159.04384	1.8
161.06012	20.8
161.09642	3.4
163.07509	3.0
164.04657	5.1
165.05461	3.4
173.05977	4.4
174.06760	2.7
175.04068	1.6
175.07579	1.9
179.07074	2.4
188.08325	4.7
189.09149	38.2
190.09615	3.4
203.07153	1.8
203.10759	4.1
217.08766	1.9
220.07419	2.1
263.06973	1.7
280.07336	1.3
305.67987	1.4
309.11295	3.5
323.12802	4.8
325.14304	2.7
355.15457	4.3
356.16275	16.5
357.16669	1.7
371.18607	2.0
384.15955	6.4
388.15466	2.7
397.16452	2.5
399.18140	100.0
400.18549	13.3
411.18192	2.8
457.16418	2.1
475.17651	1.5
487.17523	4.8
502.19818	2.8
505.22430	7.1
506.22662	2.1
507.23804	4.1
517.22430	11.8
518.22711	2.3
535.23529	40.1
536.23828	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25703	0.9
55.01751	2.0
56.69328	1.0
57.03316	4.8
58.00466	3.9
59.01253	100.0
59.13866	1.0
60.01580	2.2
61.98702	10.8
69.03339	1.4
69.57164	6.8
71.01255	72.3
72.99184	4.6
73.02821	15.4
75.00738	6.0
83.01267	6.2
85.02825	18.8
86.00001	1.3
87.00750	20.8
88.00275	2.9
89.02320	88.6
95.01273	3.9
97.02797	1.9
97.56737	1.1
99.00755	2.8
101.02325	63.1
102.02682	2.1
111.04385	1.1
113.02341	29.8
115.15243	1.1
117.03346	4.5
119.03393	31.0
119.04823	2.0
121.02837	1.8
123.04424	7.9
125.02322	5.2
131.03392	9.0
132.02077	4.3
134.03651	4.8
135.04344	1.4
137.02341	2.0
143.03394	7.9
145.02863	13.7
146.03241	1.6
149.02347	1.6
149.04446	3.6
149.06006	1.7
151.03914	1.3
153.05518	2.1
160.01559	12.9
161.02370	2.7
161.04463	19.2
163.04002	5.3
164.04668	7.1
165.05420	2.3
167.03403	7.6
175.03929	19.2
177.05498	1.6
179.05553	59.7
179.07004	4.1
180.03970	1.1
180.05850	2.7
191.03445	1.6
193.05019	4.8
221.06595	18.8
265.57556	1.9
278.91818	1.2
285.20490	1.1
295.23135	1.2
325.23877	1.4
337.09229	6.5
343.24896	2.5
355.24939	6.8
357.26382	1.6
373.25952	16.4
468.47668	1.1
517.17236	8.5
535.18134	4.0
535.25067	4.8
535.31354	85.2
536.31946	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	535.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17238	0.5
55.01760	0.7
57.03328	1.2
59.01253	18.7
60.01579	0.5
61.98706	2.3
70.85947	1.3
71.01254	10.7
72.99196	1.0
73.02830	3.0
75.00755	1.5
83.01269	2.4
85.02823	4.8
87.00763	0.9
88.98685	3.7
89.02328	4.9
91.89618	0.5
93.03311	0.8
95.01266	1.2
101.02319	6.2
109.02852	0.6
111.00758	0.7
113.02326	2.7
117.03349	25.0
118.03724	0.7
119.03423	0.7
119.04924	8.2
120.05269	0.5
121.02835	0.8
122.03617	0.9
123.00766	1.6
123.04389	2.6
124.01550	0.6
125.02338	0.9
125.09553	0.6
131.03375	0.6
132.02089	1.7
133.02853	27.4
134.03589	1.7
135.04434	6.0
137.02341	1.3
145.02856	88.5
146.03180	5.0
155.10692	0.9
160.01581	1.4
161.02354	77.6
162.02707	4.2
163.03918	8.6
166.99748	2.0
167.03426	4.5
171.10178	1.5
174.80069	0.5
175.03856	0.9
179.03427	2.1
182.02116	14.9
183.02573	0.8
185.11923	0.7
193.05008	0.8
197.04488	14.2
198.04814	0.9
205.05000	0.7
271.18820	0.7
337.09302	1.7
343.24954	1.3
355.24872	4.1
357.26132	0.6
359.09717	2.1
373.25961	7.7
475.56805	0.7
491.19336	0.6
517.30731	0.8
535.25226	100.0
535.31531	46.9
536.25647	18.2
536.31897	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	535.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.3
57.03327	0.5
59.01253	3.7
61.98705	0.7
69.03331	0.2
71.01255	2.9
72.99206	0.3
73.02833	0.9
78.23084	0.1
82.72514	0.2
83.01261	0.5
85.02820	1.5
87.00774	0.2
89.02325	1.0
89.03859	0.2
93.03333	0.2
95.01263	0.3
97.06489	0.4
98.19794	0.3
99.00756	0.3
101.02316	1.8
113.02340	1.1
117.03351	29.6
118.03675	1.3
119.03490	0.3
119.04919	9.0
120.05246	0.2
121.02876	0.5
123.04414	1.9
125.02366	0.3
132.02078	0.3
133.00363	0.2
135.04474	0.2
137.02376	0.3
145.02858	100.0
146.03198	4.4
151.03966	0.2
152.01036	0.2
153.05463	1.6
155.10660	0.2
160.01561	1.2
160.44449	0.2
161.02304	0.4
163.03925	8.1
164.04424	0.3
167.03381	0.4
175.03908	1.2
191.03458	0.2
193.04990	0.5
205.04944	0.2
213.27280	0.2
257.17523	0.4
289.07135	0.6
355.24667	0.4
373.25861	0.8
386.86804	0.2
535.25238	57.8
536.25598	10.7
539.29572	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.8
57.03318	1.3
58.00439	0.5
59.01254	16.2
60.27840	0.6
61.98700	3.0
62.99772	0.5
63.51603	0.4
71.01257	9.6
72.99224	0.6
73.02825	2.7
75.00752	1.5
80.44668	0.4
83.01260	2.3
85.01764	0.5
85.02822	5.0
87.00757	1.7
88.31166	0.5
88.51912	0.5
88.98677	3.1
89.02330	4.9
90.79844	0.5
93.26319	0.6
95.01286	0.8
99.00806	0.8
100.74889	0.5
101.02335	7.1
109.02884	0.7
113.02346	2.8
117.03355	24.0
118.03727	0.7
119.03461	0.8
119.04919	7.2
121.02897	0.8
123.04430	1.9
123.08090	0.7
125.02384	0.8
125.09660	0.5
132.02039	1.0
133.02855	21.8
134.03590	1.8
135.04416	5.6
137.02345	0.8
139.00299	0.5
145.02861	85.6
146.03210	4.3
155.10698	0.7
160.01680	0.7
161.02357	68.9
162.02727	3.8
163.03897	8.7
166.99765	1.1
167.03442	3.2
171.10176	1.6
175.03970	0.9
179.03442	1.8
179.10666	0.6
182.02144	11.4
193.05022	0.9
197.04494	13.3
198.04556	0.5
205.05200	0.5
227.16470	0.8
253.66768	0.5
257.17401	0.6
265.07315	0.5
330.79263	0.6
337.09180	1.1
343.24854	1.4
355.24863	4.3
357.26276	1.0
359.09708	1.6
373.25970	7.7
374.26004	1.0
457.28189	0.9
494.05814	0.4
517.29761	1.0
535.25195	100.0
535.31506	52.0
536.25623	19.0
536.31891	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	535.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.7
57.03333	1.7
58.00470	0.7
59.01254	17.9
60.99187	0.4
61.32620	0.3
61.98707	4.1
69.03339	0.4
70.41613	0.9
71.01254	10.7
72.01588	0.3
72.99194	1.3
73.02819	2.3
75.00754	1.5
77.64182	0.4
83.01273	1.3
85.02827	4.2
87.00752	2.0
88.98684	1.9
89.02320	8.8
90.02711	0.4
91.88525	0.3
93.03338	1.5
95.01295	1.0
97.02856	0.4
97.06483	0.6
99.00783	0.8
101.02325	6.7
113.02337	3.7
117.03368	2.4
117.08293	0.3
119.03432	1.1
119.04941	0.7
121.02866	0.5
122.03698	0.5
123.04458	1.5
123.08059	0.5
125.02361	0.8
125.09634	0.8
127.11129	0.5
132.02075	0.5
133.02855	7.6
134.03659	0.4
135.04431	2.1
137.02336	1.9
139.11197	0.5
145.02863	6.7
145.03915	0.6
146.03223	1.0
149.02403	0.4
153.05516	0.4
155.10713	0.5
160.01595	0.6
161.02357	23.9
162.02737	1.4
163.03932	0.9
167.03445	1.2
171.10188	3.2
172.10518	0.3
175.03978	0.5
179.03442	1.0
182.02144	0.5
185.11853	1.2
189.39987	0.3
190.02734	0.3
190.94762	0.3
191.03366	0.3
193.05014	0.3
197.04573	0.7
205.05096	0.8
215.12851	1.8
227.07228	1.2
285.20795	1.4
325.23904	0.6
327.21594	0.3
327.25427	0.3
337.23779	0.6
343.25107	1.5
355.24930	5.0
356.25488	0.9
357.26672	1.2
373.25937	15.1
374.04230	0.3
374.26074	2.1
375.19226	0.4
392.20795	0.4
422.44495	0.4
505.30432	0.5
517.29938	2.0
535.25250	10.8
535.31592	100.0
536.25922	1.4
536.31940	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	535.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.7
56.80560	0.3
57.03316	1.4
58.00457	0.9
59.01253	14.0
61.38702	0.4
61.98700	0.6
70.73038	0.3
71.01256	8.0
71.04856	0.5
72.99183	0.6
73.02812	2.1
75.00739	0.7
83.01244	1.3
85.02827	2.9
87.00750	1.0
88.98687	2.2
89.02314	6.3
95.01250	0.4
97.06464	0.4
98.20599	0.7
99.00758	0.7
101.02317	4.2
113.02338	2.5
117.03376	0.5
119.03363	1.2
123.04401	2.3
125.02299	0.4
125.09621	0.7
143.10638	0.4
145.02881	2.6
155.10638	0.7
157.03976	0.3
157.12183	0.6
161.02304	0.5
161.09711	0.4
163.03902	0.4
167.03423	2.4
168.58368	0.4
169.12247	1.0
171.10211	2.2
185.11757	0.8
187.11053	0.4
189.09097	0.4
201.11253	1.6
209.04439	0.5
215.12834	1.6
267.86826	0.4
285.20929	0.6
313.23737	0.5
325.23877	1.0
337.23761	1.5
343.24942	5.0
344.25143	0.5
355.24878	9.5
356.25177	1.8
357.26389	1.7
373.25961	18.8
374.26175	2.2
452.09912	0.4
457.27692	0.4
486.93726	0.5
517.30219	1.6
518.30756	0.4
535.31238	100.0
536.31628	18.3
536.39862	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.2
57.01800	1.4
57.03311	3.1
58.00454	2.0
59.01253	87.6
60.01563	1.6
61.98705	78.4
71.01254	22.5
71.54752	1.8
72.99157	2.9
73.02817	8.8
73.60400	1.6
75.00748	2.5
81.03355	3.8
83.01241	5.1
83.04908	12.0
85.02831	11.6
86.79223	1.5
87.00792	3.2
89.02321	10.1
93.03330	2.0
99.00746	4.8
101.02326	20.7
111.00768	1.8
113.02293	9.1
113.05965	1.7
117.03368	2.3
119.03364	2.4
119.04935	2.0
121.02777	2.8
123.04409	3.8
125.02338	3.8
129.01820	1.6
133.02873	2.4
135.04424	2.4
137.02336	5.5
139.00148	1.5
139.07581	1.6
145.02882	5.5
147.04422	2.3
149.02351	2.9
150.03105	1.8
151.03940	3.7
153.05435	2.0
160.01508	2.9
161.02354	5.5
161.04474	3.3
163.03928	2.7
164.04721	1.7
165.09148	1.7
177.01741	1.7
205.05090	3.2
227.06924	1.6
236.07872	1.6
243.17101	4.8
245.51160	1.6
289.07166	2.2
310.88611	1.7
313.23938	8.4
355.24774	3.5
373.16641	2.1
373.25983	7.8
457.28299	2.3
475.29114	100.0
476.29428	12.6
535.25134	4.1
535.31476	25.4
536.37378	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19452	3.8
57.03326	7.4
57.11584	3.6
59.01249	44.7
61.98707	10.8
65.00202	9.3
65.99709	9.1
69.86729	13.6
69.87101	8.2
71.01257	42.9
72.99181	13.2
73.02827	6.0
76.77503	3.5
77.71124	3.7
81.03349	4.7
83.01273	5.8
83.02383	28.6
84.01928	6.3
85.02827	19.4
86.91907	3.6
87.00748	9.7
87.62465	4.3
89.02347	23.4
93.03362	11.2
95.01275	10.5
98.20490	6.1
99.00768	17.8
101.02349	13.4
107.01258	6.6
109.02834	12.2
111.00770	18.3
113.02336	11.4
119.03378	4.4
121.02833	6.0
123.00803	19.5
123.04395	8.5
124.01569	5.2
125.02351	16.9
133.02835	10.2
134.02367	8.6
134.47716	4.3
135.00746	5.3
135.04306	4.9
136.98726	6.5
137.02362	19.1
139.00296	16.7
139.03946	7.7
141.01810	6.5
148.01566	17.8
149.02333	15.1
151.00256	22.9
152.01105	8.9
153.01849	32.5
154.02240	6.4
159.04416	6.6
160.01672	5.5
161.02362	18.8
161.04492	4.0
162.01787	9.7
163.00290	8.2
163.03900	7.1
164.00990	7.8
165.01855	11.7
165.99013	6.5
166.05029	5.0
166.99788	25.8
167.02086	6.6
167.03424	7.5
168.00539	5.2
169.01393	6.5
171.04538	4.6
175.00240	4.3
175.03880	6.0
177.01877	12.0
178.01321	9.3
178.99777	16.5
179.03462	4.9
179.05434	5.8
180.02896	6.4
189.01932	6.7
190.01346	5.2
190.99956	4.2
191.01834	8.0
191.03479	5.0
192.00549	13.4
192.03082	5.3
193.01318	30.9
202.01241	9.4
203.03476	6.2
204.02922	7.7
206.00777	8.5
206.99242	6.3
207.99982	5.9
209.02943	5.4
215.03442	12.9
219.02832	5.1
220.02444	9.0
227.03482	7.1
230.00713	5.5
231.03006	7.9
242.02090	6.6
243.02934	17.1
245.04529	6.0
246.00499	4.5
257.04526	4.6
258.01596	4.6
259.02423	4.8
266.04663	4.8
271.02423	19.9
272.02985	6.1
283.02417	5.6
285.04105	6.1
287.02066	26.2
288.02646	6.5
289.03455	7.0
294.03995	7.9
299.01834	9.6
300.02869	7.6
301.03412	8.2
310.03629	8.3
311.01837	9.0
312.05173	7.1
313.03598	6.8
315.01373	32.2
316.02213	8.2
329.02875	7.9
338.03049	15.1
341.09744	4.3
355.03308	13.5
355.06821	15.1
356.03915	30.9
371.06140	8.3
371.10867	5.4
373.08124	6.6
373.12915	4.7
374.05072	6.8
384.09204	5.0
386.13467	5.7
400.08902	7.7
410.07465	10.4
426.06793	7.6
451.08875	6.3
477.07291	5.3
477.23572	5.7
478.07425	14.4
491.08389	11.3
509.09412	25.7
518.09277	41.3
535.27740	8.4
536.10468	100.0
536.27539	6.5
537.10742	19.8
537.19958	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	536.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.6
61.98706	100.0
65.05118	0.2
66.71830	0.2
69.56837	0.2
71.01260	0.6
73.02842	0.3
78.95798	0.3
85.02864	0.3
101.02342	0.3
105.89659	0.3
120.57072	0.2
132.57701	0.2
135.04453	0.2
149.02444	0.4
164.04695	0.4
168.57928	0.3
179.07077	0.5
179.10678	0.3
224.77795	0.2
254.34882	0.2
314.40237	0.2
476.28436	0.4
488.33517	0.3
536.23492	0.4
537.25372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98092	0.9
55.01740	1.0
55.26756	0.8
57.03323	2.2
58.00465	5.6
59.01252	100.0
60.01575	1.3
61.98706	2.1
69.83002	3.9
70.02869	1.8
71.01254	64.5
72.01602	1.1
72.04433	3.6
72.99172	6.8
73.02810	1.6
79.15079	0.9
83.01262	2.8
85.02825	11.3
86.02350	1.0
87.00751	3.7
89.02319	94.2
90.02650	1.7
95.01273	3.2
98.20467	1.4
100.03933	1.2
101.02325	45.0
102.04426	0.8
113.02332	28.9
119.03387	47.3
120.03745	1.5
120.06536	1.2
125.02322	1.0
131.03407	4.7
143.03400	7.4
149.04446	4.6
161.04459	6.1
167.06949	0.9
179.05539	18.8
180.05911	1.1
223.20612	1.5
225.22214	22.5
226.22488	2.7
253.21733	2.8
255.23228	1.1
270.24316	1.6
271.22763	16.4
272.23175	1.1
296.26010	2.7
326.27008	50.6
327.27390	6.8
356.28082	9.7
357.28149	1.3
374.29123	14.2
375.29550	2.7
536.34406	59.7
537.34906	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	537.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74450	1.2
54.45021	1.0
56.25451	1.1
59.01257	10.8
60.99181	13.5
70.14964	1.4
71.01248	3.9
85.02831	1.6
88.98683	100.0
89.02308	2.2
89.23742	1.2
101.02307	2.9
107.01295	2.0
113.02335	1.5
121.02892	1.9
151.00291	8.1
161.02347	1.3
163.00325	1.8
163.03825	1.8
164.04648	1.8
178.99818	2.1
179.07036	1.3
229.31656	1.6
243.02998	3.9
255.02980	7.8
271.02487	20.2
272.02963	1.6
300.02747	36.7
301.03461	26.2
302.03943	2.5
370.40439	1.2
437.92258	1.3
447.09335	74.7
448.09698	9.5
507.19934	1.4
537.25647	5.5
545.80414	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18150	0.2
57.03312	0.4
58.76262	0.2
59.01252	3.0
60.99171	1.1
61.98705	5.6
65.00188	0.8
67.66225	0.2
69.03310	0.3
69.42206	1.9
71.01254	1.8
72.99146	0.4
75.00743	3.8
80.02527	0.5
80.20277	0.3
80.56264	0.2
81.03329	0.4
81.39097	0.2
83.01237	0.4
85.02825	0.4
87.00746	0.4
88.00260	0.3
88.98683	5.7
89.02317	4.3
90.85709	0.2
91.01772	14.1
92.02099	0.5
93.03331	0.5
93.70752	0.2
94.25801	0.2
95.01250	0.5
96.95893	0.2
97.02816	0.4
101.02326	1.3
107.01293	0.3
107.04908	0.8
108.02054	17.3
109.02872	3.9
110.59669	0.3
113.02322	0.5
117.03348	0.5
119.01276	0.3
119.04887	0.4
121.02859	1.4
123.00774	5.5
123.04401	0.7
124.01600	0.6
125.02326	1.5
131.03419	0.3
133.02856	0.6
135.00786	11.9
135.04405	1.0
137.02345	3.7
145.02803	1.1
147.00771	0.3
149.02327	0.9
150.03108	0.3
151.03903	0.3
152.01060	14.6
153.01770	1.2
161.02370	1.2
162.02695	0.4
163.03905	0.6
165.01878	0.3
169.05096	0.2
169.06505	0.4
175.00314	0.8
175.03947	0.3
177.01842	0.3
178.99718	0.6
180.07796	0.7
187.11206	0.4
190.02655	1.8
195.10172	0.4
197.05997	1.4
199.07553	0.6
205.04944	1.9
206.99294	0.5
213.05554	1.3
215.07085	0.7
222.01695	0.2
223.09726	2.2
225.05571	0.4
233.06406	0.3
241.04933	0.4
243.06599	100.0
244.06943	8.8
259.05811	0.3
265.05020	0.3
287.05499	0.5
293.08551	0.5
299.05557	1.0
325.10739	0.4
357.26453	0.4
373.15112	0.9
375.27518	0.9
383.14886	0.8
398.12543	0.3
426.10730	0.3
429.10132	1.5
434.25201	0.3
459.14560	0.9
462.16898	0.4
471.14453	0.4
474.16956	0.8
477.19330	1.7
477.30405	0.4
489.19199	3.4
490.19791	0.3
501.19147	0.7
507.20416	0.6
519.20453	1.8
520.20502	0.4
537.16205	5.7
537.23706	2.4
537.32733	1.2
538.16388	0.9
538.23706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1615
Annotation	Alboside IV
Peak:m/z	Relative Intensity
57.03311	0.7
59.01249	7.2
60.05207	0.5
61.98696	3.2
67.55193	0.6
69.30466	0.7
69.62190	3.0
71.01252	7.1
72.99171	1.7
73.02777	0.9
75.00734	1.1
81.85610	0.5
85.02823	2.4
87.00742	1.3
89.02308	6.7
93.03320	0.6
101.02299	4.0
104.82394	0.6
105.58465	0.6
108.02074	1.4
109.02785	0.9
113.02341	2.7
117.03358	3.4
119.03398	2.4
119.04929	0.9
121.02858	1.5
122.03558	1.0
123.04428	1.8
125.02317	1.2
131.03436	0.8
132.02063	2.2
133.02847	36.0
134.03572	1.2
135.04413	20.7
136.04715	0.7
137.02345	2.8
145.02829	7.1
146.03564	0.9
147.04408	1.7
148.48494	0.7
149.02385	2.2
149.05966	3.1
150.03168	5.4
151.03920	0.7
161.02348	100.0
162.03032	7.5
163.03900	4.9
164.04550	1.0
165.05466	6.1
166.02646	2.1
175.03946	2.2
177.05479	6.0
179.03412	19.5
179.05608	1.3
180.04018	2.3
181.04964	2.1
183.10175	0.9
191.01811	0.8
193.04976	1.8
195.06541	5.7
209.02913	0.9
221.04503	7.1
233.04498	0.8
235.06071	1.2
251.05568	6.9
281.06616	10.6
281.09344	1.1
295.08240	1.2
307.08148	1.3
327.12289	1.0
338.57297	0.7
339.12387	2.5
341.08694	4.7
343.10358	0.8
357.12820	0.7
375.14633	1.6
477.23453	1.5
519.15021	47.8
520.15265	8.5
537.16089	18.3
538.16876	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	537.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	5.5
61.98703	13.9
69.03339	0.9
69.33078	0.6
69.33393	5.1
69.39402	0.6
71.01250	4.9
73.02823	1.3
83.01249	0.9
85.02825	2.8
89.02325	1.3
89.03846	0.7
93.03319	1.4
97.02825	0.7
99.00742	1.1
101.02315	2.4
105.03356	1.4
109.02840	1.2
113.02332	1.7
117.03333	2.7
119.04929	1.7
121.02834	3.8
123.04442	1.7
125.02282	0.7
132.02068	11.6
133.02870	8.1
134.03639	38.8
135.04439	17.9
136.01541	1.2
136.04883	0.5
137.02333	5.9
139.03894	2.0
145.02861	1.4
147.04440	3.1
148.05186	2.0
149.02351	1.8
149.05991	4.3
150.03117	1.1
153.05466	1.6
160.01573	40.1
161.02371	12.5
161.04449	1.4
161.05956	1.5
162.02852	0.6
163.03940	0.8
164.04640	1.1
165.05446	0.8
175.03922	33.8
175.07462	1.2
176.04227	2.2
177.01900	1.0
178.02705	3.4
179.03429	15.5
179.07048	0.6
180.03650	1.0
191.07132	0.6
192.04175	0.9
193.04991	18.1
194.05336	1.6
205.04997	0.8
207.06645	3.6
249.07642	3.7
277.05255	0.7
283.09763	0.6
327.46927	0.7
329.13922	1.1
330.18207	0.7
343.11719	0.8
345.22763	0.7
405.28543	3.4
435.61172	0.7
437.18405	0.7
477.27121	1.2
491.17023	0.8
507.19928	0.7
522.18933	3.2
537.21271	100.0
537.32776	3.7
538.21594	20.4
538.29871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45224	0.3
55.01747	0.7
57.03329	0.5
58.00471	0.5
59.01254	5.5
61.98705	4.9
65.00197	0.6
70.59008	0.3
70.87428	0.6
71.01251	6.4
72.99186	0.8
73.02807	1.9
83.01252	1.3
85.02821	3.0
87.00756	1.1
89.02323	1.6
91.01777	2.0
91.05423	0.6
93.03355	1.6
95.01272	0.6
99.00782	1.0
101.02332	3.9
107.04878	0.3
113.02324	2.0
117.70162	0.3
119.01274	8.2
119.04898	0.5
121.02846	4.4
123.04420	0.9
131.03391	0.4
132.02112	0.4
134.03683	1.8
135.04428	2.9
136.01585	0.5
137.02361	0.5
145.02901	0.4
147.00781	7.8
147.04420	0.6
148.01344	0.4
149.02353	18.2
150.03073	1.1
151.03877	1.0
151.11165	0.4
152.01073	2.1
153.05476	0.4
161.02341	0.8
161.04501	0.9
162.03152	0.9
163.03940	3.6
164.04709	12.1
164.39958	0.4
165.01869	2.3
165.05324	1.0
167.03448	1.0
169.04999	0.7
175.00290	42.4
176.00635	2.1
177.01840	1.2
179.07001	2.6
189.01900	0.9
190.02646	100.0
191.03020	7.1
193.01303	0.5
194.02037	0.8
194.87424	0.4
197.11786	0.4
205.05005	99.1
206.05334	6.5
207.02902	0.4
208.03751	1.8
209.04457	2.3
223.06076	25.0
224.06439	1.3
251.05540	0.4
265.07178	0.7
505.20032	0.4
507.18628	0.7
519.22656	0.6
522.21216	2.4
537.23401	91.5
538.23712	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	537.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.7
59.01250	14.7
61.98703	37.7
65.00175	1.0
71.01254	7.8
72.99163	1.0
73.02824	1.1
75.00740	1.2
75.73427	0.7
81.03343	1.0
83.01254	0.9
85.02826	3.1
87.00770	3.1
89.02340	4.7
91.01768	2.0
93.03336	1.6
99.04449	0.7
101.02331	4.6
104.35970	0.5
107.04910	0.9
109.02840	0.7
113.02319	2.6
116.89594	0.6
117.03358	0.8
119.01262	6.5
119.03409	1.3
121.02839	4.9
123.04414	3.9
125.02351	1.7
133.02834	0.9
134.03618	2.4
135.04440	2.9
137.02347	1.6
145.02838	2.3
147.00784	7.4
147.04478	0.7
149.01210	1.1
149.02345	14.6
149.05981	0.7
150.03134	2.7
151.03896	1.2
152.01060	1.6
153.05484	1.7
160.01550	0.8
161.02298	1.7
161.04517	0.8
162.03062	0.6
163.03926	5.3
164.04707	10.3
165.01836	2.7
165.05533	0.7
167.03395	3.8
169.05026	1.0
175.00288	39.5
176.00729	2.3
177.01828	0.7
177.05492	0.7
179.07062	2.2
186.12849	0.7
189.01842	1.1
190.02638	90.8
191.03145	7.7
192.04286	1.0
193.01318	0.8
193.04784	0.6
194.02159	1.0
198.11584	0.6
205.05002	86.3
206.05365	5.1
207.02985	1.3
207.06499	0.7
208.03760	1.6
209.04454	3.3
221.08147	1.1
223.06085	14.0
243.02002	0.8
251.05579	1.0
255.11563	0.7
265.07248	4.7
274.10757	0.6
292.81216	0.6
295.08325	1.0
325.09360	0.7
326.09644	0.6
357.26379	0.7
375.22037	0.9
375.27365	1.8
453.15424	0.6
477.30569	1.1
494.20267	0.9
507.19016	2.0
522.20892	3.7
537.23389	100.0
538.23761	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38423	0.5
54.97292	0.5
57.03308	1.0
58.29448	0.6
59.01254	19.3
60.01591	0.6
61.98704	93.2
64.59490	0.6
65.00188	0.6
69.37523	1.9
69.37946	2.5
71.01256	9.2
72.99194	1.8
73.02827	1.8
75.00751	1.0
79.57993	0.5
81.03331	0.6
83.01266	1.4
83.04913	0.6
83.63618	0.6
85.02818	2.8
87.00747	3.9
88.00282	0.6
89.02316	4.1
91.01776	1.8
93.03332	4.1
95.01255	1.0
96.95972	0.6
97.02869	0.7
99.04386	0.7
101.02325	4.5
107.04886	0.8
108.02052	0.7
109.02824	1.2
113.02334	2.9
117.03337	1.1
119.01286	7.2
119.03397	1.0
119.04907	1.6
121.02850	5.9
123.00761	0.8
123.04409	1.6
124.01552	0.9
125.02331	1.1
133.02831	0.6
134.03621	2.5
135.04454	4.1
137.02341	7.7
138.03159	0.6
145.02811	3.2
146.27687	0.6
147.00790	8.6
147.04430	1.3
149.02356	13.6
150.03117	2.3
151.03897	1.8
152.01070	1.8
153.05531	1.0
154.02574	0.7
161.02365	1.8
161.04512	0.6
162.03145	1.3
163.03920	5.7
164.04704	10.6
165.01845	2.2
165.05275	1.7
167.03456	1.6
169.04964	1.3
173.02589	0.5
175.00293	40.8
176.00755	2.5
177.01828	1.7
179.07033	2.4
181.05006	0.6
187.07814	0.6
189.01869	1.5
190.02647	98.4
191.03148	6.9
192.04051	0.8
193.01401	1.0
194.02118	0.6
205.05009	92.4
206.05360	6.7
207.03012	1.2
208.03648	1.5
209.04501	3.9
221.08173	1.2
223.06056	14.6
223.08084	1.2
224.06487	0.7
251.05513	1.0
265.07159	3.6
311.07852	0.6
325.09320	0.7
357.26114	0.6
375.27451	1.3
417.28839	0.8
476.29355	1.2
477.29837	2.5
507.18936	2.8
522.20935	3.7
523.21130	0.8
537.23340	100.0
538.23596	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	537.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37367	0.7
57.03309	1.3
59.01251	18.9
60.99173	2.3
61.98703	29.5
71.01255	13.3
71.55000	0.9
72.99171	2.8
73.02821	2.4
74.69012	0.9
75.00745	7.2
78.56330	0.7
80.73225	0.7
81.03309	1.3
83.01244	2.5
85.02831	5.0
87.00735	1.9
87.04367	1.9
88.00277	1.3
88.98675	19.9
89.02321	23.6
91.01782	1.5
93.03333	10.0
94.02845	0.9
95.01290	1.6
95.04874	0.8
97.36016	0.7
99.00772	1.5
101.02332	8.5
109.02833	2.5
109.19691	0.8
113.02357	5.0
117.03387	1.1
119.01289	4.9
119.03365	1.8
121.02830	6.0
123.04398	6.0
124.01549	0.8
125.02354	5.5
133.02847	1.3
134.03587	3.5
135.00769	0.9
135.04393	4.2
137.02342	22.8
138.02702	1.2
139.03922	1.1
145.02832	5.0
147.00795	5.2
149.02371	10.2
150.03098	2.1
151.03894	2.1
152.01042	2.6
153.01736	0.9
153.05371	1.0
157.38533	0.8
159.04294	0.7
159.31677	0.8
160.01556	2.1
161.02390	4.8
161.04413	1.0
162.02805	1.1
163.03931	4.5
164.04701	9.0
165.01845	2.3
165.05434	1.3
169.04947	1.6
175.00288	29.3
175.03896	2.4
176.00789	1.1
177.01848	1.6
179.03383	1.3
179.07056	1.3
189.01860	0.9
190.02650	73.5
191.02998	4.4
193.05022	1.3
205.05005	73.4
206.05383	4.4
207.02911	2.0
208.03743	1.3
209.04411	1.8
223.06042	11.1
243.06577	1.4
251.05435	0.9
254.28130	0.8
262.90698	0.8
269.17563	2.0
293.08176	2.6
309.11163	1.5
320.10742	1.5
321.11264	1.6
338.12042	0.9
348.13489	0.8
357.26434	4.7
374.25925	0.8
375.27499	8.8
442.15051	0.9
477.19058	4.1
478.19501	1.0
489.18896	2.7
507.19006	2.2
516.60242	0.9
519.20172	6.6
520.20410	1.0
522.20947	2.6
536.31702	1.3
537.23370	100.0
537.32587	29.0
538.23608	15.6
538.33112	2.9
564.13910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.7
57.03319	11.4
59.01252	100.0
61.98699	21.3
71.01253	58.0
72.99187	11.1
73.02821	17.4
75.00718	1.6
83.01263	13.3
85.02819	29.3
85.16193	1.4
87.00759	4.4
88.98682	4.3
89.02321	19.6
93.03333	2.9
95.01247	4.0
97.02829	1.9
99.00780	5.6
99.59615	1.5
101.02324	47.4
102.02642	1.8
107.04833	1.7
109.02840	2.0
111.00771	3.4
113.02329	19.8
117.03339	3.4
119.03403	5.7
119.04965	1.9
119.07014	1.6
121.02854	3.7
123.04399	4.3
124.01599	2.2
125.02337	48.7
131.03395	4.0
133.02829	3.1
135.04417	3.2
136.01608	2.3
137.02348	6.1
143.03400	4.4
143.10672	1.5
145.02888	8.8
149.02295	1.9
149.04489	4.7
151.00415	2.2
151.03923	8.6
152.00995	1.8
153.05438	3.7
159.02910	3.7
160.01599	2.4
161.02408	7.2
161.04448	21.0
162.02669	2.0
163.03987	2.2
163.05949	1.8
169.01389	1.6
175.03935	2.4
175.22227	1.4
176.04535	1.5
177.05418	2.1
179.03423	2.3
179.05553	3.9
183.55150	1.5
190.02603	2.5
193.04999	2.0
194.05705	1.6
205.05016	2.1
209.08157	1.8
233.06696	2.2
289.07263	1.6
310.08145	1.5
315.08755	7.0
315.18060	10.8
315.25418	3.2
345.19272	11.9
347.24457	2.8
357.26431	1.8
375.27826	2.6
411.16821	2.3
477.23483	96.1
477.30530	6.9
478.23871	15.7
478.30478	2.7
519.20337	6.1
537.20258	12.2
537.32867	89.3
538.19965	3.0
538.33234	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	537.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.7
57.03325	7.4
58.00457	0.9
59.01253	38.2
60.99176	1.6
61.98705	11.5
68.04158	0.7
71.01255	27.7
71.55235	1.3
72.99184	3.2
73.02828	8.1
73.71283	0.8
75.00743	3.2
83.01267	4.7
85.02825	11.0
86.63629	0.8
87.00766	3.2
88.98681	14.2
89.02319	20.4
92.97269	0.8
95.01266	2.4
97.02827	1.2
99.00774	3.3
101.02324	20.3
109.02833	1.0
111.00764	2.2
113.02340	10.5
117.03407	1.5
119.03399	5.8
119.04923	1.2
121.02786	0.8
123.04438	4.7
125.02341	38.3
126.02659	1.8
131.03395	2.3
131.30930	0.8
137.02356	2.5
137.38275	0.8
141.01892	0.7
143.03365	1.9
145.02859	5.0
146.03220	1.8
149.02338	1.8
149.04497	1.9
151.03902	1.0
153.05467	5.7
159.02899	1.1
161.02362	1.3
161.04491	6.6
167.03459	0.9
169.02516	2.6
175.03958	1.0
179.05568	7.4
180.44148	0.7
185.11858	1.0
190.02670	1.4
195.94203	0.8
199.52570	0.8
205.05025	2.4
221.06569	2.4
315.18118	1.5
315.25458	1.0
323.18378	0.8
329.23318	1.4
357.26495	4.6
358.26434	1.1
373.25861	1.4
375.27521	14.8
376.27808	2.2
411.16733	1.6
477.23410	14.1
477.30719	3.2
478.23843	1.9
519.31329	1.6
537.21106	4.5
537.32770	100.0
538.21057	0.8
538.33130	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	4.3
57.03321	6.6
58.00468	3.1
59.01254	78.0
59.39974	1.7
60.01592	2.3
61.98706	52.6
70.56599	5.2
71.01255	69.7
72.01604	2.3
72.99181	13.0
73.02818	17.3
75.00755	7.3
83.01257	11.1
85.02834	22.6
87.00768	6.4
88.98711	4.8
89.02323	62.7
91.00276	2.9
95.01273	5.1
97.02827	3.3
99.00769	6.4
101.02328	53.3
102.02654	1.9
113.02338	28.9
117.03387	3.7
119.03393	23.5
123.04402	4.2
125.02362	10.5
131.03368	4.3
133.02864	5.6
137.02328	3.2
138.27127	1.7
139.03889	1.8
143.03441	6.6
145.02855	6.5
149.02390	4.1
149.04469	4.1
151.03891	1.9
153.05472	2.3
155.10670	1.9
159.02864	1.9
160.01584	2.5
161.02393	12.2
161.04437	21.6
161.05647	2.1
162.02713	4.3
167.03427	10.4
169.01375	1.7
175.00224	2.0
175.03894	2.6
179.05539	37.4
179.06987	3.1
190.02631	2.3
191.03525	2.6
191.05507	3.5
205.05135	2.3
221.06564	8.6
271.72247	1.8
315.18057	4.2
343.90262	1.7
357.26501	9.9
375.27426	19.4
438.72729	2.0
477.23477	39.9
478.23782	3.5
493.22400	2.1
532.00818	2.0
536.31775	5.3
537.25616	10.4
537.32703	100.0
538.25818	2.8
538.32983	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	537.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.9
58.00472	4.4
59.01251	96.7
60.01580	0.9
60.99165	0.9
61.98709	7.6
66.03355	1.9
69.03319	2.4
69.64722	5.5
71.01256	37.4
72.99184	8.7
73.02821	32.3
74.03158	1.0
75.00733	1.3
83.01252	3.5
85.02829	16.2
85.99976	1.1
87.00752	10.1
87.04391	3.8
88.98670	3.3
89.02318	32.3
91.01741	0.9
92.86600	0.8
97.02805	1.4
99.00742	1.5
101.02323	65.6
102.02606	1.3
103.03896	28.3
105.09959	0.8
109.02836	3.9
111.00787	1.0
113.02336	4.5
115.03919	5.5
117.03302	1.4
118.62237	0.8
119.03396	13.3
119.04883	1.0
121.01270	0.8
121.02843	1.9
123.00772	1.6
123.04404	9.0
124.01538	2.4
125.02335	10.5
127.03896	2.1
131.03391	10.2
131.40474	0.8
132.02080	1.1
134.03630	1.6
135.00764	3.5
135.04396	1.9
137.02299	2.7
143.03424	11.5
145.02843	3.1
145.04968	6.9
146.03265	1.4
149.02289	2.6
149.04453	2.8
149.05936	1.2
149.99481	4.6
151.00081	1.2
151.03905	1.7
152.01053	1.1
153.01881	4.6
153.05443	6.1
160.01546	3.0
161.02353	1.5
161.04414	2.1
163.06039	100.0
164.04683	1.4
164.06351	3.5
165.05450	1.9
167.03392	1.4
168.00574	7.9
169.01306	3.3
175.03943	4.0
177.01837	1.8
178.02637	3.3
179.03433	1.7
181.04967	2.6
190.02681	0.8
190.08598	0.9
191.03488	1.6
191.05498	0.9
193.04982	6.9
194.05582	0.9
195.06630	4.1
196.09665	1.1
205.05038	2.3
205.07083	20.4
206.07513	1.6
235.08188	2.2
239.85605	0.9
243.06563	1.9
265.09332	6.1
269.01459	0.9
295.10345	0.9
307.10907	0.9
313.05521	1.4
331.06708	1.2
447.09174	1.7
460.09216	0.9
477.23248	3.1
513.32410	1.1
537.12372	8.5
537.19946	3.9
537.32062	7.5
538.19751	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	537.3282
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.01743	1.0
56.53409	0.4
57.03334	2.1
58.00464	0.7
59.01252	18.1
61.98704	4.2
69.03320	0.4
69.38815	3.2
71.01257	10.6
72.99160	1.1
73.02811	3.2
75.00737	0.4
83.01254	1.8
85.02821	4.0
87.00757	1.3
88.98689	1.0
89.02316	7.2
95.01257	0.9
99.00771	0.7
101.02322	7.5
101.02929	0.8
107.89570	0.4
111.00759	0.6
113.02328	3.6
117.59302	0.4
119.03403	2.0
123.04413	2.1
124.80793	0.4
125.02349	7.4
137.02354	0.9
143.03484	0.4
145.02832	1.0
146.03217	0.6
149.04480	0.4
153.05469	2.4
157.12308	0.6
161.02249	0.5
161.04488	1.0
167.03450	0.7
179.05513	1.5
185.11713	0.7
190.02612	0.6
215.12798	0.7
221.06645	0.5
261.95764	0.4
269.71906	0.5
318.59332	0.4
329.23325	1.5
357.26422	5.4
358.26874	1.1
373.25864	1.0
375.27475	17.1
376.27939	2.0
411.16483	0.5
477.23373	1.7
477.30194	0.7
519.31689	1.8
537.32782	100.0
538.33130	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	538.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	4.0
60.99178	0.8
61.98705	100.0
63.53075	0.3
63.99146	0.4
71.01251	2.0
71.31520	0.4
75.00732	0.8
85.02828	0.9
87.00758	0.8
88.00285	1.1
88.98689	6.1
89.02312	2.7
93.03349	0.4
101.02335	1.2
109.91035	0.4
113.02325	0.7
117.03281	0.8
118.03724	0.4
121.02869	0.5
123.04459	0.7
125.02377	0.7
135.04434	0.9
137.02382	1.0
139.04033	0.4
145.02885	3.4
146.03212	1.2
147.00864	0.4
149.02382	1.2
151.04002	0.5
160.01506	0.4
161.02321	0.5
161.04498	0.5
163.03925	1.2
164.04688	1.1
165.05301	0.5
175.00294	1.9
176.00716	1.3
179.07056	0.7
179.38144	0.4
190.02669	4.9
191.02977	3.2
205.05043	3.7
206.05342	2.9
223.06123	0.7
224.06461	0.5
233.06277	0.4
263.81784	0.4
315.86093	0.4
339.37115	0.4
384.51474	0.4
521.77814	0.4
537.38031	0.5
538.23132	6.4
538.37744	0.7
539.24286	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	539.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59991	0.8
55.01756	2.0
57.03323	2.1
57.42829	0.9
59.01254	16.3
61.98697	3.9
63.08439	1.0
65.95358	1.1
68.84418	0.8
69.68088	2.5
69.68494	2.1
71.01254	14.5
72.99194	1.3
73.02820	4.3
75.00753	1.9
83.01256	3.3
84.10676	0.8
85.02821	8.6
87.00766	1.3
89.02305	6.0
93.03342	3.0
95.01252	1.7
99.00742	2.4
101.02316	15.2
108.02065	1.4
113.02337	4.1
119.03379	1.6
121.02851	5.8
122.03609	6.7
123.04396	2.8
133.02834	6.0
134.03644	2.0
135.04445	2.1
136.01572	1.2
137.02451	1.3
141.33247	1.0
149.02354	29.5
149.06049	1.2
150.03139	55.8
151.03537	3.1
153.05475	2.9
161.02365	1.2
162.03102	1.1
164.04689	6.1
165.05482	54.1
166.06180	4.5
167.07048	1.1
180.04179	3.2
181.08606	5.8
195.06548	24.4
196.06786	1.0
207.11208	0.9
237.20334	0.9
277.88165	0.9
314.11594	5.3
315.12216	1.5
329.13873	11.8
330.14203	1.0
343.10135	1.4
343.13965	14.1
491.19220	100.0
492.19540	14.6
539.21252	12.0
540.21667	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	539.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.2
57.03324	1.3
58.00462	1.1
59.01253	26.7
61.98687	0.7
70.97235	0.5
71.01251	21.1
72.99186	1.9
73.02823	6.3
83.01260	3.2
85.02820	8.1
87.00758	1.6
89.02317	14.8
93.03342	4.1
95.01266	1.7
95.04898	0.7
99.00758	1.4
101.02328	16.1
108.02077	1.1
113.02340	7.7
119.03386	5.3
120.41054	0.5
121.02850	7.7
122.03635	14.2
123.04407	1.4
124.01639	0.8
133.02835	5.0
134.03625	1.8
135.04417	0.9
136.01567	2.0
137.02371	1.4
141.01872	0.5
143.03300	0.5
145.02837	0.7
147.04422	0.9
149.02354	29.6
149.05879	1.1
150.03137	100.0
151.03464	3.7
153.01923	0.6
153.05487	0.5
161.02335	0.8
161.04536	1.4
162.03125	2.6
164.04727	6.3
165.05495	96.6
166.06129	7.2
167.07031	1.2
177.01881	0.8
177.05556	1.5
179.05547	2.1
180.04196	7.2
181.08629	5.8
190.40372	0.6
195.06567	39.7
196.06927	2.3
280.87097	0.5
314.11652	4.4
315.12244	1.6
329.13904	9.6
330.14365	1.1
343.13965	12.2
344.14450	1.1
357.15765	0.6
491.19223	69.8
492.19522	10.8
539.21411	6.5
540.21698	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2137
Annotation	Erizomycin
Peak:m/z	Relative Intensity
55.01739	0.4
57.03331	1.9
59.01251	15.7
59.84975	0.3
61.98711	2.0
66.34263	0.3
69.83532	1.3
69.83956	0.6
71.01252	4.6
73.02824	3.7
75.00755	1.5
76.96938	0.3
81.03368	0.4
83.01265	4.0
83.04936	0.5
85.02814	1.8
87.00752	0.9
89.02313	1.1
93.03316	0.5
95.01250	0.5
95.04910	1.4
97.02828	1.0
98.20561	0.3
99.04372	0.8
101.02310	3.4
101.05976	1.4
107.04887	0.5
108.02051	0.6
109.06475	0.7
111.04431	0.4
113.02346	1.6
119.08574	0.9
121.02853	0.6
121.06484	1.1
122.03622	0.8
123.04411	94.3
124.04723	3.5
125.02329	0.6
125.05944	0.8
131.03404	0.5
134.03554	0.5
135.04393	0.9
135.08069	1.2
137.02341	0.6
137.09625	2.7
141.05522	0.5
145.02846	0.5
151.03954	0.5
153.05479	100.0
154.05803	5.4
160.01605	0.5
161.02356	0.5
161.04565	0.4
161.09615	2.3
162.09927	0.4
163.07532	3.9
165.09087	0.5
167.06940	0.4
175.03932	0.8
179.10657	2.6
180.04173	0.7
181.08603	4.4
195.06552	1.1
195.10246	0.5
197.11765	3.0
203.10794	1.0
205.08672	0.8
221.11714	0.6
223.09727	4.4
229.08864	0.4
241.10791	3.0
247.09778	1.2
265.10861	2.1
283.11813	0.8
289.10779	0.6
307.11884	0.9
315.10925	1.8
325.12939	0.9
367.14276	0.5
385.15082	4.6
386.15454	0.4
392.88205	0.4
479.19336	1.0
479.32098	4.6
521.20294	1.0
539.21344	45.9
540.21631	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	540.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	15.6
61.98702	100.0
68.99662	3.5
71.01253	9.6
71.54739	3.0
75.00747	25.5
85.02792	2.6
88.98661	17.0
89.02304	9.9
91.42172	2.3
99.52301	2.9
101.02327	8.5
109.02835	6.5
112.52220	3.2
120.44839	3.2
121.02871	3.1
122.05991	2.8
123.04390	7.5
125.02332	5.8
131.03383	4.6
134.03616	9.5
137.02313	4.6
149.04416	5.3
149.06012	6.0
150.03172	5.1
151.03886	3.5
152.04646	3.1
153.01797	3.7
153.05432	4.7
160.01547	8.2
161.04546	2.9
165.05458	6.1
167.07104	3.0
175.03917	11.6
178.02615	7.5
178.35834	2.7
179.07065	6.2
189.01941	4.4
191.03288	3.2
193.04968	20.9
194.05351	7.1
195.06592	4.9
197.08250	4.9
199.03864	3.2
201.01895	3.2
215.03429	3.5
217.01418	6.4
231.02611	3.5
235.06026	5.7
243.03035	16.3
270.01846	3.4
271.02390	17.1
285.03970	11.1
286.04800	3.4
299.01996	6.5
300.02805	4.7
307.73618	3.3
314.04257	36.9
315.04990	8.8
341.06775	16.4
451.10312	11.7
477.10287	70.4
478.10849	7.6
529.34656	2.9
540.21045	5.9
541.22534	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	540.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.0
61.98704	75.8
71.01246	2.7
71.54451	1.4
73.02792	0.9
85.02822	1.0
86.58935	1.0
89.02312	1.3
101.02303	1.9
109.02782	1.2
113.02359	1.4
123.04415	32.4
124.04713	1.2
133.02853	17.3
135.04411	13.4
137.02338	1.3
139.07515	1.3
139.42644	0.9
150.03052	2.0
153.05484	47.5
154.05792	1.1
161.02357	100.0
162.02725	6.3
163.03856	0.9
165.05479	3.1
177.05453	3.1
179.03432	14.1
203.03455	1.1
205.04990	1.1
221.04535	1.7
263.05554	1.2
280.06030	1.2
315.11621	1.1
323.07715	21.0
323.11539	1.2
324.08252	1.0
477.14008	67.7
478.14401	11.0
493.18402	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	540.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.4
57.03329	0.5
58.00467	0.2
59.01254	8.8
61.98706	100.0
63.99145	0.2
65.09981	0.1
69.03331	0.2
69.19395	0.3
69.19799	1.3
71.01258	4.1
72.01603	0.2
72.99218	0.2
73.02824	1.6
74.03121	0.1
75.00751	0.8
83.01266	1.4
84.63639	0.2
85.02829	1.4
85.82351	0.1
87.00795	0.4
87.04403	0.2
88.98687	0.3
89.02322	1.4
93.03388	0.2
95.01272	0.2
95.04964	0.2
97.02846	0.2
97.06495	0.3
99.00774	0.4
101.02328	2.3
101.05987	0.6
108.02119	0.2
108.04445	0.3
109.02831	0.2
111.00800	0.6
111.07980	0.2
113.02345	1.1
119.03405	0.2
121.02853	0.3
122.03596	0.2
123.00832	0.2
123.04420	13.5
124.04737	0.2
125.02351	0.6
129.01784	0.2
134.03633	0.3
135.04393	0.3
137.02371	0.5
138.03163	0.4
139.03992	0.3
139.07591	0.2
139.11172	0.8
141.05545	0.2
145.02879	0.4
150.03171	0.4
150.05524	0.2
151.03943	0.8
153.05493	14.8
154.05824	0.3
160.01566	1.0
161.02437	0.4
161.04503	0.8
161.05736	0.2
163.03923	0.2
165.01881	0.2
165.70180	0.2
166.05099	0.2
167.03421	0.3
169.12265	0.3
175.03862	1.0
175.07574	0.2
175.51778	0.1
176.04277	0.2
177.01889	0.2
178.02628	0.4
179.03412	0.3
179.07002	0.2
181.05011	0.2
181.12277	0.5
183.10207	1.8
190.02681	0.2
190.31268	0.2
193.05008	1.2
194.03415	0.2
194.05331	0.3
197.11826	0.2
205.05092	0.3
211.03616	0.2
225.11316	1.7
225.90390	0.2
243.12411	1.1
267.12247	0.2
272.19284	0.2
285.04019	0.2
291.12531	0.4
294.76913	0.2
315.25409	0.4
317.27148	0.2
327.14542	0.2
375.27469	0.3
377.28879	0.4
387.12396	0.2
387.16397	0.9
449.38916	0.2
479.32202	3.1
480.32684	1.7
481.20746	0.3
487.94901	0.2
523.22546	0.2
539.21643	0.2
539.26196	0.2
539.34210	4.5
540.21973	0.7
540.34717	2.3
541.23029	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	99.8
61.98690	25.7
66.28629	9.4
69.18350	100.0
71.01266	62.0
85.02778	10.2
89.02323	92.5
96.02610	10.3
98.20605	22.8
101.02328	31.3
107.75224	10.3
113.02322	16.9
119.03389	29.0
119.55190	10.4
142.18214	12.1
150.50255	13.2
154.78000	11.6
163.77544	10.4
179.05579	35.1
191.57866	10.4
211.63283	9.1
241.04982	44.4
255.06589	19.2
256.07343	32.3
265.08447	10.8
270.08887	22.0
271.09805	53.0
301.10837	11.8
410.20038	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	541.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	10.0
58.00473	5.1
58.34608	1.6
59.01253	44.4
60.99181	3.8
61.98706	32.3
69.03326	12.6
69.36813	5.1
69.37236	10.2
71.01257	34.2
71.04884	3.9
72.99181	3.2
73.02818	6.7
75.00758	14.5
76.01072	1.7
81.42701	1.8
83.01254	3.4
83.04911	2.9
85.02825	11.4
87.00759	11.6
87.04392	4.5
88.98674	16.7
89.02323	22.5
93.03358	2.3
93.06930	2.2
95.01255	2.6
95.04884	2.2
96.95901	1.8
97.06469	2.2
99.00738	2.1
99.04457	2.2
101.02328	17.6
109.02842	3.3
109.06481	5.9
111.08048	5.8
113.02335	16.7
117.03355	13.0
119.03382	6.9
119.04913	7.0
121.02844	4.4
122.03649	3.4
123.00834	2.7
123.04414	5.5
123.08062	4.9
125.02321	6.7
125.06030	3.8
127.07536	16.2
131.03389	4.3
133.02843	6.3
134.03641	6.8
135.04468	12.0
137.02339	4.4
137.05991	26.6
138.03050	3.0
139.04024	2.3
139.11203	21.9
141.05486	2.1
141.09082	2.0
145.01698	2.0
145.02855	40.5
146.03673	13.5
147.04443	11.7
149.02348	3.6
149.04482	5.4
150.03156	10.9
151.03877	2.9
151.11166	3.2
153.01875	6.9
153.05510	3.8
155.07039	13.0
158.01483	1.7
160.01555	6.6
161.01070	3.6
161.02362	56.0
161.04482	6.1
161.05873	2.2
162.03148	54.8
163.03857	8.0
164.04655	2.9
165.05473	11.9
165.09111	4.7
175.03992	8.4
177.00145	1.7
177.01910	1.9
177.05499	26.7
179.05638	1.9
179.07091	4.6
180.04169	6.1
183.10191	100.0
184.10518	6.8
189.01836	3.7
190.02718	2.3
193.04962	5.1
195.06586	16.0
197.08118	5.3
197.11769	44.0
198.12164	3.4
199.09694	4.3
206.41692	1.8
207.10135	3.9
219.06534	9.0
225.11299	47.6
226.11566	4.5
255.12352	5.6
285.13309	2.1
293.08691	2.0
339.10876	9.7
341.06787	2.4
349.18637	4.0
355.11823	3.8
357.11871	13.7
451.10315	2.2
481.23093	5.4
493.18842	2.9
541.23334	10.6
542.23523	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	541.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.8
59.01254	22.9
61.98703	57.5
62.98394	0.8
68.05253	0.6
71.01258	5.5
72.99179	1.2
73.02817	5.1
75.00748	5.0
81.03370	0.7
83.01256	8.0
83.04936	0.6
83.49365	0.6
85.02839	2.5
87.04405	2.1
88.98684	0.8
89.02321	1.9
93.03337	1.9
95.04916	1.8
96.95894	0.8
97.02839	0.7
99.00769	0.7
101.02335	4.2
101.05962	2.4
108.02058	0.9
109.06540	0.6
113.02332	1.4
119.04842	0.7
119.06371	0.5
121.02837	1.1
122.03615	1.2
123.04414	91.6
124.04782	4.0
125.02348	1.5
125.06007	0.6
129.33574	0.5
132.02000	0.9
134.03609	0.9
135.04442	0.9
137.02325	1.4
137.06000	0.8
138.01865	2.4
139.03967	0.7
139.07590	1.6
139.11195	8.9
145.02870	1.0
151.03914	2.7
151.11172	0.8
153.05490	100.0
154.05830	4.9
160.01581	2.1
161.02330	1.5
161.04515	1.0
163.11191	0.6
165.05530	0.9
165.09187	1.4
169.12299	1.5
175.03975	3.3
177.01862	0.7
179.10709	1.5
180.04222	0.7
181.05055	1.2
181.12250	2.6
183.10202	11.1
184.10542	0.8
193.05029	1.9
195.06557	1.3
197.11757	1.9
199.13354	1.2
207.10240	0.8
225.11278	10.8
226.11647	0.7
235.06105	0.6
243.12354	7.2
244.12834	1.0
249.11270	1.2
256.29657	0.5
267.12396	2.1
285.13531	1.6
291.12335	2.0
309.13498	1.2
327.14441	1.8
328.14749	0.7
349.22192	0.8
387.16562	7.1
388.17020	1.1
425.63104	0.5
448.01093	0.5
481.20825	1.2
523.21631	1.8
540.34821	0.8
541.22943	56.5
541.79205	0.6
542.23309	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39759	1.7
57.03326	5.4
58.00478	2.0
59.01255	100.0
61.98705	67.9
69.29137	13.9
71.01257	39.8
72.99175	3.2
73.00481	1.6
73.02821	14.5
75.00741	15.4
83.01271	8.0
85.02830	18.1
87.00768	6.2
88.98701	2.8
89.02328	17.1
90.38683	1.6
93.03378	2.5
95.01275	3.5
95.79620	1.6
96.95895	2.3
97.02850	2.0
97.06500	1.6
99.00780	4.8
101.02329	30.2
101.05992	2.1
103.93708	1.7
108.02047	2.1
109.02860	2.6
111.00753	2.2
113.02353	13.5
117.03340	3.2
119.03424	5.4
119.04914	24.9
119.05611	2.2
121.02914	4.0
123.04416	72.5
124.04771	5.2
125.02373	5.9
125.06039	1.8
132.02095	3.7
133.02904	2.4
134.03632	3.3
135.04465	4.0
137.02361	4.4
137.06032	2.3
138.01848	4.2
139.00311	3.3
139.03979	3.5
139.11221	4.4
143.03432	2.7
145.02905	13.3
149.04558	1.9
150.03119	2.7
151.03966	6.3
153.05490	94.2
154.05847	4.5
159.03011	3.7
160.01605	10.5
161.02333	4.1
161.04482	11.6
161.05733	1.9
163.03925	28.2
164.04652	3.7
165.09163	2.9
167.03410	2.9
175.03914	14.7
176.04414	2.3
178.02676	5.1
178.99905	2.5
179.03444	2.6
179.07076	4.9
183.10266	3.6
193.05022	13.1
195.06525	3.7
196.03824	2.1
205.05052	4.0
215.94638	1.8
225.11246	4.1
243.12410	5.9
269.04645	3.9
270.04254	2.2
280.03702	2.5
289.07657	2.3
301.18307	2.5
307.08344	1.8
315.10748	2.1
349.22409	3.7
387.16620	4.4
408.75522	2.2
451.23654	8.0
462.58264	1.9
463.23248	28.4
464.23715	4.5
481.24606	25.6
482.24881	3.7
487.16446	4.8
505.17178	10.8
506.17996	3.8
541.23138	64.0
542.11481	2.0
542.23572	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	541.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66483	0.2
55.01750	0.2
57.01191	0.2
57.03317	0.3
58.00461	0.3
59.01254	4.4
60.01588	0.2
61.66836	0.2
61.98707	2.7
67.80434	0.2
68.99662	0.3
69.21230	1.8
71.01256	7.2
72.99185	0.5
73.02829	1.6
80.02568	1.2
81.03328	1.0
83.01268	1.1
83.04900	4.4
84.02030	0.6
85.02828	2.6
86.16010	0.2
87.00755	2.9
88.00269	0.4
89.02313	2.0
95.01267	0.6
95.04884	0.4
96.95903	0.2
98.19781	0.5
99.00742	0.7
101.02325	4.1
107.04949	0.2
109.06469	0.4
113.02332	2.6
119.03393	0.7
125.02349	0.3
125.05956	0.4
131.03387	1.2
134.03627	0.2
135.08090	0.4
161.04497	2.7
161.09669	0.2
163.11215	3.0
165.12773	2.2
179.05528	0.4
181.12090	0.2
191.03418	0.2
191.10739	0.8
209.11778	100.0
210.12119	7.9
221.06575	2.5
227.12843	12.4
228.13184	0.7
251.12781	0.3
253.21519	0.2
280.78470	0.2
329.13773	0.4
331.17560	1.8
332.17880	0.2
336.69479	0.2
347.15005	0.5
541.18311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18258	0.3
59.01257	3.0
61.98705	100.0
63.14465	0.2
67.78803	0.3
71.01260	0.9
71.55104	0.3
75.00762	0.7
85.02807	0.6
89.02345	0.3
96.95885	0.4
98.55570	0.2
100.15370	0.2
101.02376	0.5
108.02083	0.4
113.02325	0.4
123.04440	0.7
125.02317	0.4
137.02394	0.3
137.06055	0.3
138.01878	2.0
145.02849	0.5
153.05534	1.2
157.91673	0.2
161.02345	0.3
165.05429	0.6
166.05809	0.3
172.01572	0.2
177.01817	0.3
195.06499	0.4
227.03647	0.3
337.08029	0.3
523.40033	0.4
542.23181	0.4
543.24097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1359
Annotation	Scytonemin
Peak:m/z	Relative Intensity
58.73021	1.0
59.01255	3.1
61.98700	5.8
68.99680	3.0
71.01254	5.1
71.54060	1.1
73.02818	2.0
75.00735	1.9
83.01263	2.0
85.02825	7.5
87.00751	2.8
95.01260	1.5
99.00761	6.6
101.02309	3.1
109.02898	1.3
111.00748	2.0
113.02339	6.4
113.99485	17.9
115.00284	8.0
121.02817	2.4
125.02354	1.2
127.00243	2.5
129.01814	3.6
139.00299	1.3
149.02339	12.6
153.01848	2.0
153.05499	2.0
157.01294	4.0
161.02367	1.1
164.04697	7.6
169.01323	2.5
174.01630	14.1
175.02408	2.5
190.02698	1.2
191.05647	2.7
223.06096	7.0
277.05630	33.9
300.02737	1.4
302.06085	1.6
337.07764	99.0
338.08060	7.7
463.08670	2.7
483.11441	4.3
543.13574	100.0
544.13818	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	543.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.6
59.01257	12.7
60.99181	17.1
61.98706	23.3
62.11195	1.6
66.75697	1.8
69.58510	2.0
70.18370	4.0
70.18763	3.9
71.01261	5.1
85.02805	2.1
86.62868	1.7
87.00771	3.6
88.00278	7.6
88.98679	100.0
89.02319	65.1
92.97131	1.9
94.97968	2.2
96.95898	3.2
97.06491	1.7
101.02322	2.7
104.59001	2.1
108.92968	1.8
113.02361	3.3
136.29649	2.0
137.02338	2.1
148.90843	1.9
209.11757	13.7
210.12149	8.0
211.12370	2.9
227.12845	3.2
295.02490	13.0
307.19110	5.2
331.15652	1.9
543.13123	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	543.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12363	0.2
59.01251	100.0
60.01583	0.7
70.82700	0.6
77.49491	0.2
96.95866	0.3
132.28114	0.3
156.67619	0.2
237.33687	0.3
271.56607	0.3
435.42023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3309
Annotation	Luvungin F
Peak:m/z	Relative Intensity
50.34282	2.1
57.03319	5.9
59.01252	35.5
61.98703	100.0
69.03334	2.9
71.01254	19.6
72.99173	4.2
73.02832	5.6
76.97359	2.6
83.29716	2.5
85.02835	11.2
87.00780	3.8
87.50231	2.5
89.02325	11.2
93.92894	2.4
95.01305	4.2
96.95901	2.9
99.04402	5.4
101.02328	15.5
108.02112	3.1
109.02911	2.5
113.02351	7.8
119.03390	4.9
121.02830	2.3
123.04418	4.5
125.02352	5.5
148.63091	2.7
154.01340	4.1
160.01631	3.9
161.04514	3.6
175.03923	3.2
185.61281	2.8
204.63322	2.9
209.11832	4.1
267.03049	2.7
397.08734	3.0
408.92426	3.1
507.35574	10.9
543.15948	4.2
543.25635	6.2
543.32996	84.1
544.16626	2.8
544.33044	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	544.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.4
59.01254	3.4
61.98705	100.0
62.98405	0.2
66.53472	0.1
67.16927	0.2
69.72010	0.5
69.72410	0.4
71.01267	1.5
71.27402	0.2
72.99200	0.3
73.02836	0.5
75.00764	0.2
80.91581	0.2
81.71844	0.1
83.01272	0.3
83.04882	0.2
85.02829	1.2
86.02345	0.5
87.00751	1.7
89.02331	0.7
93.03362	0.4
94.00939	0.2
95.01244	0.2
96.95916	0.3
97.02846	0.3
97.26574	0.2
101.02341	0.6
101.05965	0.2
103.55737	0.1
109.02890	0.2
111.00812	0.2
113.02353	0.5
117.05486	0.4
119.03372	0.3
119.04945	0.2
123.04443	0.8
125.02355	0.3
135.04396	0.3
136.73167	0.2
137.02371	0.3
139.00414	0.2
145.02847	0.6
151.03917	0.2
151.50618	0.2
153.05516	0.8
159.27341	0.2
161.02367	0.2
161.04517	0.4
161.05898	0.2
161.09618	0.6
161.13246	0.2
163.03860	0.3
169.35004	0.1
175.03877	0.2
177.01834	1.0
177.05537	0.2
179.03462	0.2
179.07181	0.2
187.11198	0.7
189.09126	0.4
190.02744	0.2
191.05611	0.2
203.95038	0.2
205.04996	0.2
205.12375	0.4
223.13370	0.8
267.12366	0.8
284.02969	0.2
313.26221	0.2
369.15604	0.9
378.55463	0.2
429.17917	0.6
485.20605	0.4
503.19064	0.3
509.24100	0.4
544.17883	0.4
545.22723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.2
59.01254	2.3
61.98704	100.0
62.98422	0.3
71.01257	1.0
71.55016	0.2
72.99205	0.3
75.00729	0.2
80.91557	0.6
85.02836	0.8
87.00774	0.3
88.34573	0.2
89.02334	0.6
93.03351	0.3
96.95912	0.2
99.00753	0.2
101.02348	0.5
111.62513	0.2
113.02327	0.5
117.03342	0.2
119.03400	0.3
119.04898	0.3
123.04421	0.5
124.01605	0.3
125.02359	0.2
129.79160	0.2
133.02844	0.2
133.04991	0.3
135.04440	0.2
137.02325	0.3
139.03860	0.3
145.02827	1.2
151.03943	0.3
153.05486	0.6
159.02995	0.2
159.04405	0.2
161.02380	0.4
161.04504	0.2
161.05981	0.2
163.03929	0.3
177.01915	0.4
191.03441	0.2
205.05055	0.4
210.84653	0.2
222.04825	0.2
223.13426	0.4
243.07513	0.2
267.12527	0.4
307.07828	0.2
369.15372	0.3
457.13821	0.2
507.15781	0.3
508.15771	0.2
544.22028	0.4
545.23029	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41943	0.1
57.84971	0.1
59.01257	0.7
61.98704	100.0
65.31305	0.1
68.28490	0.1
71.01254	0.3
71.34413	0.2
85.02818	0.3
87.00756	0.1
89.02328	0.3
101.02336	0.2
113.02383	0.1
123.04423	0.3
125.02361	0.1
137.02325	0.2
153.05490	0.6
169.18062	0.1
175.03979	0.2
192.00647	0.2
207.02998	0.3
266.96777	0.2
335.03668	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43520	0.2
57.03323	0.2
59.01256	1.3
61.98692	0.5
69.63692	1.4
71.01248	0.6
79.93896	0.3
79.95608	2.5
89.02306	0.4
96.95890	100.0
97.95799	0.3
98.19791	0.4
109.02868	0.4
118.97036	0.3
124.54533	0.3
125.02312	0.4
138.27521	0.2
139.03938	0.3
151.00267	0.5
171.41847	0.2
227.07339	0.3
255.02940	0.4
271.02521	0.8
300.02789	1.6
301.03510	1.2
447.09229	2.0
448.09525	0.5
545.26367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49347	1.7
57.03312	3.3
58.00475	3.2
59.01252	100.0
60.01595	2.5
61.98706	51.0
68.49191	1.6
68.78748	1.7
69.03323	6.2
71.01257	55.5
71.09698	4.4
72.99171	6.7
73.02816	8.2
73.64212	2.2
74.28292	1.9
75.36008	1.7
83.01254	5.9
85.02823	15.4
87.00739	4.7
89.02321	88.3
96.95863	2.0
99.00763	6.0
101.02328	44.1
106.26880	1.7
113.02325	15.0
117.03326	6.6
119.03391	11.0
121.02808	3.1
123.04420	30.1
124.04790	1.9
125.02319	7.5
131.03395	43.6
134.03642	5.8
134.06026	4.5
135.04425	5.4
137.02354	2.7
143.03391	3.4
145.02853	18.7
149.04462	79.4
150.04736	2.4
151.03880	3.6
153.05489	45.3
154.05835	2.4
160.01584	11.9
161.04485	8.3
163.03906	2.3
175.03911	6.6
176.04524	1.8
177.01738	2.1
178.05002	3.0
179.03447	7.3
179.05530	4.7
185.00800	6.9
191.03944	2.8
191.05568	28.2
191.07166	3.8
193.04974	7.7
221.06554	3.2
235.06084	7.3
265.07172	4.5
278.35690	1.8
295.08246	5.9
311.09738	4.0
315.11026	2.6
335.98111	2.1
353.19675	8.2
485.23804	9.1
545.19818	3.6
545.28986	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.0
57.03310	1.6
58.00472	4.2
58.84419	0.8
59.01254	82.3
60.01598	1.0
61.98706	26.3
69.03342	1.3
69.21494	3.9
69.21919	4.2
71.01255	55.4
72.99206	4.4
73.02819	8.4
83.01258	2.6
83.48982	0.9
85.02830	8.9
87.00761	3.6
89.02320	95.0
90.02685	1.1
96.95921	1.1
99.00742	2.7
101.02325	46.8
101.05978	2.4
101.22861	0.9
111.00770	1.0
113.02326	11.1
115.07526	1.1
119.03382	6.0
122.03632	1.0
123.04416	3.9
125.02307	2.4
131.03407	33.2
135.04414	1.4
143.03386	2.3
145.02844	1.3
149.04468	100.0
150.04839	1.6
151.03951	1.3
153.05444	4.6
161.04546	3.0
164.04729	1.0
175.03918	1.5
179.05550	1.6
191.01953	1.0
191.03798	0.7
191.05536	17.5
199.13319	1.0
251.07767	2.1
258.75061	1.0
293.08734	1.9
311.09860	2.6
425.13104	1.0
470.72534	1.0
485.23865	2.9
545.30182	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	9.1
59.01254	7.3
61.92036	0.6
61.98706	11.8
65.00191	0.6
69.33760	4.5
71.01256	5.0
71.69650	0.6
72.99173	1.3
73.02822	1.3
75.00755	0.7
78.37181	0.6
79.35391	0.7
81.03326	5.1
83.01261	9.2
83.54267	0.6
85.02824	15.3
87.00755	3.3
89.02312	4.7
93.03324	0.9
95.04914	1.5
98.19801	0.9
101.02355	4.2
102.34386	0.7
103.05425	0.7
107.01279	0.9
108.02062	1.2
109.02840	14.5
111.00793	1.0
113.02313	1.2
115.07655	0.7
117.03339	1.5
119.04902	3.5
120.99517	4.4
121.02811	1.5
122.03610	0.8
123.04416	36.5
124.04726	1.2
125.02337	54.5
126.02677	1.2
129.01839	6.2
131.03383	1.5
133.02849	5.3
135.04411	6.1
136.01566	0.7
137.02284	1.6
145.02861	4.3
147.04422	4.0
148.01602	0.7
149.02309	2.4
149.04427	2.1
149.05775	0.7
150.03149	1.3
151.00275	3.0
151.03929	6.3
153.05501	1.0
159.04405	1.5
161.02342	6.3
161.05984	1.2
162.02991	0.7
163.03911	1.9
165.01872	1.6
166.02663	3.4
167.03415	68.2
168.03751	2.6
173.00800	3.3
175.03906	2.6
175.07483	1.2
176.00970	0.8
176.04701	6.2
177.01865	24.4
178.02238	1.5
179.03421	6.0
187.03947	2.0
187.07603	1.4
189.01865	52.6
190.02597	11.1
191.01881	1.8
191.03441	10.1
193.06581	4.4
201.01842	1.1
203.03430	6.4
204.03821	0.7
205.05003	1.2
205.08632	6.7
215.03221	0.7
216.00592	10.5
217.01373	37.3
218.01936	3.0
219.02937	12.2
223.05899	0.7
229.01346	2.4
231.02963	10.1
232.03461	1.6
233.04549	1.3
241.08765	0.9
242.02156	1.2
259.09763	1.4
261.68033	0.7
265.07147	1.2
271.02484	1.5
287.05490	0.7
288.06308	2.1
294.25308	0.7
299.05524	0.7
300.02713	1.5
323.05710	1.8
323.12823	0.8
341.06641	100.0
342.07001	10.4
342.68613	0.7
367.11963	3.0
373.26062	1.9
383.78586	0.7
385.12927	38.0
386.13300	4.8
419.11374	10.2
420.11694	1.5
442.25745	0.7
448.06311	0.7
503.28738	1.1
547.15430	3.6
547.28650	2.5
548.16150	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	547.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89434	0.3
57.03295	0.4
59.01253	4.9
60.07142	0.3
61.98706	11.6
71.01261	3.9
71.10155	0.4
73.02840	0.8
75.00774	0.4
77.64169	0.3
77.78054	0.3
81.03339	0.8
83.01267	0.9
85.02828	2.0
89.02321	1.9
92.83266	0.3
93.03316	0.7
95.01263	0.7
95.04917	0.9
99.00784	0.4
101.02332	2.8
108.02066	0.8
109.02861	1.0
113.02351	1.1
119.03408	0.4
121.02846	0.7
122.03649	0.6
123.04414	69.3
123.59312	0.3
124.01559	0.3
124.04747	3.1
125.02391	0.7
131.03383	0.4
134.03731	0.3
135.04420	1.0
137.02316	0.6
145.02859	1.1
149.04443	0.9
151.03934	0.4
153.05487	100.0
154.05812	4.7
155.03363	0.4
155.06081	0.4
159.02840	0.4
160.01566	1.0
161.04449	0.8
161.13258	1.4
175.03958	0.8
177.01851	0.5
179.07108	0.6
180.04173	0.4
187.11188	0.8
189.01910	1.1
191.05382	0.3
195.06580	0.4
195.58145	0.3
205.12321	1.6
217.01390	3.0
273.11407	0.4
275.54968	0.3
288.06494	0.5
288.81104	0.3
299.56146	0.3
315.10803	4.8
324.92667	0.3
327.05179	1.1
341.06616	0.5
355.21152	0.9
358.29395	0.3
367.24924	0.5
393.15588	0.9
487.25119	1.5
503.22940	0.5
547.21979	1.8
547.32825	1.1
548.21893	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59979	1.0
56.81316	1.1
58.44115	1.2
59.00381	1.1
59.01236	2.2
61.98694	2.6
67.53293	1.0
69.24496	10.7
96.95909	1.4
98.19821	2.0
119.74551	1.2
124.95036	1.2
136.28517	1.1
137.02490	1.2
139.14798	1.0
162.03185	1.8
184.71506	1.2
202.06364	1.6
212.55908	1.2
215.07095	22.4
216.07742	4.8
269.12042	1.7
284.14178	25.6
285.14694	2.1
299.16522	100.0
300.16852	10.2
346.33386	1.3
546.28772	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.3
57.03331	3.1
58.00466	1.1
59.01254	100.0
60.01570	1.2
61.98706	56.9
69.03315	1.2
71.01260	34.0
71.54138	0.9
71.54559	1.5
72.99187	3.3
73.02821	11.1
75.00745	2.1
78.07688	0.9
81.03348	1.1
83.01257	8.0
85.02832	17.3
85.90964	0.8
87.00762	2.5
89.02327	14.6
93.07005	1.4
95.01258	3.0
96.87214	0.9
96.95882	1.5
97.06488	1.6
99.00745	5.6
101.02329	28.4
107.88795	0.8
109.02843	2.0
111.00774	3.1
113.02323	12.6
115.03912	0.9
119.03388	1.2
121.02880	1.7
123.04415	28.7
124.01544	0.8
124.04745	1.3
125.02305	4.7
127.31066	0.8
129.01872	1.5
131.03400	9.1
135.04393	1.4
137.02397	1.9
138.94547	0.8
139.43301	0.8
143.03452	2.1
145.02838	2.4
149.04483	4.0
153.05495	39.1
154.05844	1.1
159.02931	1.7
160.01617	3.0
161.02359	1.3
161.04460	8.6
163.03883	1.4
164.04721	2.5
164.95996	0.9
165.71043	0.8
166.02701	1.1
175.03926	3.2
177.01955	1.1
179.07050	3.2
189.01860	4.5
190.02553	1.1
191.01927	0.9
191.03508	1.3
191.05505	1.1
217.01395	9.7
218.02133	3.3
219.02809	1.3
223.05898	0.9
234.33015	1.0
288.06329	1.4
289.91098	1.0
301.03555	0.9
327.05109	3.3
341.06778	2.5
343.28607	1.5
355.21265	13.9
356.21469	1.3
357.22787	2.6
375.23837	4.8
389.25339	1.0
437.12665	1.1
449.08704	1.5
450.09116	1.2
487.25470	41.2
487.32806	22.9
488.25864	5.6
488.32599	1.9
505.33920	11.6
547.18365	2.4
547.25861	5.5
547.34290	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	547.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	4.3
57.03310	7.2
58.00462	3.4
59.01254	100.0
59.32306	1.8
61.98704	48.4
69.44846	7.8
69.45267	4.5
70.46772	1.8
71.01255	77.0
72.99181	5.3
73.02824	18.9
77.08923	1.8
81.03375	2.0
83.01266	14.5
83.02360	2.7
85.02824	28.7
87.00741	5.8
87.04397	2.3
89.02322	40.2
95.01264	4.9
96.95889	3.4
97.02833	2.2
99.00732	9.6
101.02325	62.9
102.02615	2.4
107.62700	1.7
108.02061	5.3
109.02831	7.2
111.00756	5.5
113.02331	26.2
119.03386	5.9
119.04893	2.4
123.04417	42.3
124.04757	3.2
125.02389	9.9
129.01836	2.8
131.03397	32.9
132.53632	1.7
135.04402	2.7
137.02333	3.2
143.03423	4.9
145.02853	3.7
149.04448	34.2
149.05957	12.8
151.00276	5.3
153.05492	53.0
154.05833	2.3
159.02872	3.9
160.01558	5.4
161.02351	2.5
161.04492	21.5
163.03889	3.2
166.02605	4.7
167.03328	2.1
175.03926	5.7
177.01907	2.5
179.03453	2.7
179.05414	2.2
179.06975	3.5
189.01871	25.9
190.02539	4.8
191.03481	3.2
191.05537	7.5
216.99432	3.5
217.01395	49.5
218.01746	3.7
219.02809	2.9
223.16988	3.0
253.09259	4.5
285.04037	1.9
288.06381	5.0
311.22400	12.1
326.04355	3.6
327.05142	26.3
328.05292	5.2
341.06754	9.1
343.15393	2.5
355.21265	79.8
356.21643	11.4
385.12842	8.6
407.07706	2.9
449.08853	5.9
487.25491	72.4
487.32220	3.2
488.25961	10.5
547.24908	5.2
547.33813	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	549.089
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.48391	0.7
53.75501	0.8
54.92345	0.8
59.01252	4.5
61.98703	2.2
63.02269	1.1
65.00216	2.4
69.27883	3.0
69.28312	4.4
71.01250	4.1
72.99200	1.0
83.01278	1.6
85.02811	2.1
87.00778	1.1
89.02312	4.0
95.95383	0.7
101.02336	1.9
107.01286	2.9
108.02065	2.7
109.02842	1.5
121.02837	2.5
121.46249	0.8
123.04425	0.8
125.02300	1.5
134.03627	1.6
135.00713	1.1
137.02318	1.1
145.02853	1.0
148.01588	1.9
151.00288	12.1
151.03865	0.8
153.01801	1.0
160.01517	0.9
161.02356	2.5
163.00287	3.4
163.03963	1.7
164.01248	1.0
165.01833	1.1
171.04395	0.9
175.03859	1.3
178.99811	5.4
187.03882	0.9
199.04016	1.3
211.04005	1.6
226.02663	1.3
227.03461	3.4
243.02950	12.8
244.03464	1.5
245.04491	2.0
254.02260	1.7
255.02980	34.2
256.00885	0.9
256.03391	3.5
271.02487	68.4
272.02921	7.4
273.04016	1.7
283.02570	2.4
297.05963	1.3
299.01971	2.0
300.02747	100.0
301.03439	49.4
302.03751	3.2
303.67450	0.9
311.10486	1.1
323.07724	2.2
337.09402	1.0
360.22238	0.9
463.08664	4.5
505.09897	66.3
506.10251	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	549.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43610	0.2
57.03325	0.5
59.01239	0.4
61.98703	0.3
77.03833	2.0
81.92156	0.2
84.97502	0.2
93.03347	0.5
103.44238	0.2
121.02847	100.0
122.03192	3.7
122.39740	0.2
136.16026	0.2
137.02371	0.4
165.01849	53.1
166.02188	2.1
180.05743	0.7
181.06493	2.6
182.06854	0.3
193.15012	0.2
197.06039	2.2
207.04533	1.0
207.08080	0.3
223.03894	0.5
225.05540	1.6
257.09753	0.6
285.09540	0.2
301.08829	0.2
313.07285	1.4
357.06216	0.9
383.07742	0.6
417.09564	1.8
432.15646	0.6
447.18079	0.6
505.11523	1.8
505.22504	0.5
549.10394	25.9
550.10730	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	549.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08779	0.7
57.03316	2.6
58.00471	1.3
59.01255	20.2
61.98701	14.0
64.38581	0.8
71.01252	15.5
71.54955	1.1
72.99200	2.1
73.02802	6.3
75.00770	0.8
83.01263	2.7
83.02375	1.3
84.01929	1.0
85.02822	6.2
86.02338	4.2
87.00744	2.1
89.02324	8.3
89.05952	2.0
93.03326	1.2
95.01260	1.6
96.95866	2.4
99.00758	1.2
101.02324	9.0
107.01240	1.2
108.02018	6.0
109.02831	3.2
109.99940	1.1
111.00776	3.6
113.02302	5.5
115.00245	1.4
117.03372	2.2
119.03384	2.3
119.04925	2.1
121.02863	5.2
122.03621	4.2
123.00777	3.6
123.04394	6.0
124.01537	1.5
125.02327	3.6
131.03413	1.8
132.02130	4.7
133.02846	6.7
134.03638	22.0
135.00752	1.0
135.04456	5.2
136.01561	12.9
137.02414	4.6
137.05962	1.6
139.00235	1.2
145.02870	6.0
146.39754	1.0
147.04427	3.4
148.05193	1.7
149.02364	2.0
149.04485	2.9
149.05992	7.0
150.03139	8.6
150.08981	1.1
151.00276	3.4
151.03912	18.6
152.01039	1.3
153.01842	2.6
153.05501	1.6
160.01575	13.6
161.02350	10.7
161.04494	2.4
163.00319	2.3
163.03880	2.8
164.04550	1.2
165.01900	1.1
165.05493	1.9
166.02623	11.5
166.06091	0.9
173.05989	1.8
174.03159	0.9
175.03934	15.7
176.04701	9.6
177.01921	4.7
177.05403	2.4
178.02640	45.7
179.03329	5.3
181.04987	11.4
183.10217	1.1
191.05473	2.0
191.07065	14.4
192.04161	2.4
193.04993	100.0
194.05328	5.9
196.03564	0.8
205.04936	1.4
207.06616	4.8
211.04243	1.0
211.06055	5.1
217.05048	0.9
220.03732	1.7
221.04448	1.5
227.03461	3.8
235.06078	32.1
236.06406	2.1
237.07658	4.3
251.05597	1.3
255.02992	8.2
259.06070	1.6
265.07175	11.0
266.07733	0.9
271.02332	1.0
281.06631	3.0
284.03268	8.2
285.03918	3.3
295.08215	16.2
296.08450	1.2
300.02686	3.1
301.03510	4.0
301.06577	0.9
343.12137	1.0
355.10233	1.6
357.09753	4.4
369.13489	1.4
369.22916	1.8
372.12137	1.9
373.12134	1.3
387.14551	27.0
388.14856	4.2
505.09869	2.4
523.79407	1.1
549.13013	8.2
549.23517	6.8
549.29352	7.4
550.12408	1.3
550.29956	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	549.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30235	0.5
54.19532	0.4
55.01752	0.8
57.03340	0.7
59.01252	6.7
61.98708	5.8
69.03340	0.6
69.45177	3.3
71.01256	5.6
73.02826	2.2
75.00737	1.0
83.01268	0.8
85.02819	2.7
86.02358	0.8
89.02316	2.2
93.03329	0.9
95.01250	1.3
96.95888	10.3
101.02321	3.4
107.04837	0.6
108.02048	2.1
109.02843	1.9
111.71703	0.5
113.02327	1.0
117.03352	1.5
119.04904	1.1
121.02097	0.6
121.02850	3.5
122.03615	2.2
123.00761	1.7
123.04421	1.8
124.01579	0.9
125.02350	1.6
133.02873	1.6
134.03613	2.1
135.04405	0.8
136.01563	49.0
136.98972	0.7
137.02376	8.3
138.02863	0.5
139.00208	0.6
145.02856	2.6
147.04410	0.5
149.02348	1.3
149.05983	1.0
150.03101	1.4
151.00302	9.1
151.03917	63.7
151.59453	0.5
152.00977	0.9
152.04289	2.6
153.01797	0.9
153.05472	0.5
159.04449	0.6
160.01559	2.1
160.05156	1.0
161.02347	2.3
161.04465	2.0
161.05898	0.9
162.03136	1.3
163.03983	2.4
164.04698	1.1
165.01909	1.2
166.02631	28.3
167.03270	2.9
175.03928	3.0
175.07568	1.3
176.04683	1.5
177.01846	2.8
177.05496	1.2
178.02629	4.4
179.03407	1.5
179.07013	0.7
181.04990	37.9
182.05284	2.0
190.02687	0.6
190.06322	0.7
191.03450	1.3
191.05421	0.5
191.07028	1.3
191.79008	0.5
193.05003	8.3
194.05519	0.9
195.02885	1.2
195.06609	1.1
205.04996	1.7
205.08720	0.7
207.06572	0.9
208.03685	0.8
223.06079	1.3
232.03496	0.5
235.06125	1.4
237.07710	1.4
255.02888	0.5
265.07172	1.5
271.05991	0.5
284.03271	0.6
295.08301	1.2
299.09393	0.8
312.48666	0.5
329.10324	2.0
343.12454	0.6
357.09784	14.3
358.10025	1.8
372.12131	8.4
373.12399	1.0
387.14499	100.0
388.14828	14.2
453.80472	0.7
519.15234	0.9
549.15741	1.1
549.22339	1.2
549.30231	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	549.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30518	0.5
57.03316	2.1
59.01251	51.8
61.98427	0.5
61.98702	5.3
65.00201	1.0
71.01257	10.8
72.99179	1.4
73.02821	1.8
73.42195	0.7
75.00719	1.6
82.52389	0.5
83.01239	2.1
85.02359	0.6
85.02829	8.7
87.00730	1.6
88.98667	0.8
89.02319	8.3
91.01727	1.0
93.03300	1.3
95.01263	1.0
95.40648	0.7
98.19751	1.3
99.00728	1.0
101.01779	0.7
101.02328	6.7
101.05962	8.2
105.03322	1.3
107.01276	1.4
111.00756	1.0
113.02293	2.7
115.07494	2.3
117.03296	2.1
119.01286	3.9
119.03398	1.4
119.04855	1.4
120.99535	1.0
121.02878	3.4
122.99075	1.1
122.99904	0.8
123.04362	2.4
124.01556	0.9
125.02310	0.9
129.01828	1.5
131.03349	1.1
132.02065	16.6
133.02892	6.9
134.03641	18.3
135.04486	3.2
137.02307	2.5
137.05995	6.3
139.03847	1.3
143.06953	0.8
145.02838	1.5
147.00745	4.2
147.04376	2.2
148.05161	1.5
149.01222	1.0
149.02347	13.5
149.04355	1.2
149.05945	2.0
150.03008	1.1
151.00244	1.8
151.03839	1.2
153.05446	1.0
160.01570	57.9
161.02364	19.0
161.03822	1.0
161.04358	1.5
162.02780	2.0
163.03946	3.8
164.04706	12.3
164.07652	0.7
165.01836	1.2
165.05334	1.0
173.00746	0.9
175.00328	21.5
175.03922	68.5
176.01004	3.3
176.04279	4.2
177.01747	1.8
177.05338	0.6
178.02507	0.7
179.03325	2.0
179.05550	0.8
179.07010	1.9
181.08583	0.9
182.05759	0.8
189.01823	1.3
189.03787	0.6
190.02641	55.0
191.01683	1.4
191.03215	6.5
191.05287	1.2
192.04076	1.5
193.01402	0.7
193.03357	1.3
193.04991	19.7
193.06744	1.2
194.02058	0.8
197.08035	0.7
205.05006	53.6
206.05453	4.4
207.06618	3.6
208.03711	1.4
209.04536	3.6
221.08070	0.9
223.04129	1.1
223.06085	17.3
224.06342	1.0
235.06033	0.8
237.07605	0.8
251.05605	1.3
253.32652	0.6
255.04114	1.0
255.06613	12.3
256.06906	1.1
265.07095	3.0
279.06396	0.8
281.06525	1.7
295.08121	1.1
311.07489	1.6
311.10849	0.6
325.09164	1.3
327.21829	0.9
342.06952	1.3
343.07208	2.2
391.99133	0.7
489.26837	1.2
534.17169	1.3
549.19568	100.0
550.20026	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	549.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36033	0.8
59.01252	9.8
60.98877	0.7
61.30846	0.7
61.98703	7.4
69.32670	4.2
71.01251	7.0
72.99182	1.0
73.02818	3.1
75.00734	1.4
79.95599	0.9
85.02828	3.2
87.00755	0.9
89.02318	3.9
93.03320	0.9
96.95271	1.6
96.95889	27.8
96.96841	1.1
98.19855	1.8
101.02343	3.7
108.02057	2.8
109.02837	2.3
111.00770	1.1
113.02324	1.5
117.03336	1.8
119.03367	1.0
119.04896	1.8
121.02837	3.7
122.03650	2.5
123.00782	2.0
123.04427	2.2
125.02323	2.5
132.02106	0.8
133.02866	1.3
133.06508	0.9
134.03618	2.9
135.04466	1.3
136.01563	45.3
137.02385	8.2
139.00169	1.0
139.03944	0.9
145.02876	4.0
147.04341	0.9
149.02388	0.8
149.05989	1.1
150.03146	2.1
151.00282	9.8
151.03915	54.7
152.01019	0.9
152.04338	2.5
153.01863	1.1
160.01587	3.2
161.02376	1.9
161.04439	1.6
163.03894	3.3
165.01862	1.8
166.02641	28.2
167.03255	3.4
175.03908	3.7
176.04680	1.5
177.01831	3.4
177.05531	1.2
178.02699	4.9
179.03418	2.2
180.04193	0.8
181.03389	1.7
181.04993	34.1
182.05284	1.2
184.03636	0.8
189.01854	1.0
189.05566	1.0
190.02710	1.0
190.06136	0.9
193.01337	1.0
193.05017	9.1
195.06485	1.3
205.04961	1.6
205.08722	1.3
208.03729	1.6
213.32259	0.8
223.06097	1.9
225.07684	0.9
227.03441	1.3
235.06076	3.2
237.07713	1.9
265.07199	1.8
284.03528	1.1
285.04089	1.2
287.05435	1.0
295.08279	1.6
329.10260	1.8
337.08749	0.8
341.06400	1.6
357.09805	11.5
358.10141	1.7
372.12152	7.3
373.12592	1.4
387.14499	100.0
388.14807	15.1
483.50812	0.9
487.70743	0.9
517.08673	0.7
519.15063	1.1
549.15631	2.5
549.28967	3.2
549.36310	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31384	0.6
58.29472	0.5
59.01257	4.0
61.98704	10.0
68.38776	0.5
69.83096	2.4
71.01260	5.3
73.02814	1.1
78.21908	0.5
85.02798	2.3
89.02313	0.9
94.25183	0.5
98.19846	0.8
101.02294	3.2
101.72845	0.6
102.47755	0.6
107.31088	0.6
108.02044	4.2
109.02882	3.8
113.02348	1.8
121.02801	0.6
123.00735	1.1
123.04431	0.9
124.01531	1.6
129.27551	0.6
137.02344	4.2
138.01859	1.0
138.03096	2.7
139.03954	3.3
139.04884	0.9
151.04033	0.7
152.01091	3.6
152.04643	2.3
153.01791	0.9
153.05481	4.3
161.02391	0.5
161.04449	1.3
167.03354	1.2
175.07597	0.7
184.03690	1.2
190.06261	0.9
202.06201	0.7
203.07059	1.3
205.08606	4.5
218.09435	1.2
243.03006	1.3
255.10159	0.9
283.09708	2.3
296.06677	0.7
299.09259	2.0
309.07761	1.1
311.09091	1.1
312.06247	0.7
313.10855	0.8
314.11578	0.7
324.09921	0.7
327.08710	8.8
328.09094	1.0
329.13968	7.8
330.14297	0.6
341.10388	4.0
342.11078	21.8
343.11429	2.1
357.13434	78.4
358.13687	8.7
359.27734	0.8
372.15771	24.1
373.15997	2.6
387.18134	100.0
388.18472	12.3
549.23102	4.8
550.23474	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91431	0.6
55.01754	2.6
57.03327	15.8
58.00462	0.8
59.01253	28.8
61.98708	25.1
68.99689	0.7
69.45551	2.9
69.45957	1.2
70.45601	0.6
71.01256	13.9
72.99181	4.0
73.02829	2.9
75.00754	3.6
81.03352	0.7
83.01262	4.0
83.04894	1.5
84.02020	3.7
85.02827	100.0
86.03167	2.4
87.00756	7.0
88.00246	0.7
88.98689	2.8
89.02325	5.3
93.03331	1.7
95.01254	0.9
96.95880	0.7
97.02871	0.6
97.06468	1.9
99.00777	1.5
101.02334	7.7
101.05981	2.0
102.01852	0.8
103.00253	2.1
106.04126	1.5
107.04904	5.3
109.02832	1.5
111.00739	1.1
113.02319	4.0
114.02628	0.8
115.00243	1.2
115.07523	0.9
117.03350	1.5
119.03428	1.6
119.04916	5.8
120.05710	1.2
121.02812	0.7
122.03587	0.9
123.00785	1.1
123.04390	1.9
124.01565	3.1
125.02293	2.6
129.01836	14.6
131.03358	0.7
133.02838	1.4
134.03694	0.9
135.04446	3.2
135.48595	0.6
137.02299	2.5
137.05988	48.8
138.06284	2.4
139.03925	5.0
143.03311	0.6
145.02853	3.4
147.02910	13.9
149.02362	1.4
149.04439	0.8
149.05927	1.0
151.03821	1.2
152.04701	1.1
153.05473	1.3
160.01585	1.0
161.02339	6.4
161.04411	2.3
161.09641	6.6
161.13202	2.8
163.03870	2.8
163.11183	0.7
164.04602	0.7
173.00792	3.5
175.00325	0.8
175.03947	1.0
177.01903	1.0
179.03450	0.7
179.10706	0.8
181.04955	1.5
183.70752	0.6
187.11194	9.1
188.11618	0.6
189.01823	0.8
189.09166	5.5
190.02505	2.0
190.09373	0.7
191.01901	50.2
192.02209	1.9
193.05006	0.9
193.07021	1.0
203.10732	1.3
205.05093	1.1
205.12291	5.5
207.06659	1.0
207.10258	3.3
231.10074	0.7
249.11354	4.2
265.14279	1.1
267.12299	2.9
281.10223	1.4
299.11374	1.1
342.06937	1.0
343.07123	1.5
357.26450	5.3
373.25571	2.3
375.27109	1.7
411.16373	0.8
477.30225	0.7
487.29114	1.2
489.20801	1.9
507.21790	0.7
520.21210	0.7
531.27905	2.0
549.22711	24.3
549.29700	6.1
550.23346	5.3
550.30353	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2707
Annotation	(+)-N(6)-Acetoxyaphelandrine
Peak:m/z	Relative Intensity
55.01753	0.9
57.03321	2.5
59.01257	5.1
61.98702	4.1
71.01254	4.3
71.34396	0.8
72.09890	0.4
72.99190	0.6
73.02825	1.0
75.00739	0.7
83.01249	1.0
84.02036	0.4
85.02824	15.5
87.00735	0.8
89.02312	0.8
93.03336	1.0
94.64520	0.3
99.00743	0.7
101.02322	3.1
105.03323	0.7
107.01255	0.5
111.00787	0.4
113.02322	0.7
117.03364	0.8
119.04910	0.5
121.02867	0.5
122.03725	0.3
123.04399	0.6
124.01588	0.4
125.02329	0.5
129.01843	2.4
132.02068	17.1
132.13206	0.3
133.02882	4.9
134.03635	14.1
135.04414	0.9
137.02350	3.3
137.05988	0.8
139.03906	1.3
145.02879	0.6
147.02885	1.9
147.04405	0.6
149.05968	2.2
151.00249	0.7
151.03897	1.2
159.02908	0.4
160.01572	87.8
161.01965	3.9
161.04443	0.5
173.00731	0.3
175.03922	91.4
176.04272	5.8
177.01851	1.2
178.02634	1.0
179.03375	1.3
191.01901	7.9
191.03598	0.7
193.04988	9.6
194.05287	0.5
205.22223	0.4
212.98648	0.4
221.04491	0.6
226.44968	0.3
357.26337	1.0
375.35486	0.3
498.23108	0.4
531.28192	0.6
534.24670	1.6
549.27081	100.0
550.27429	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	549.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81012	0.3
52.96848	0.3
55.01780	0.4
57.03324	1.4
58.00493	0.3
59.01253	100.0
60.01591	1.3
61.36124	0.4
61.98708	3.7
65.00198	0.5
69.31287	1.1
69.31712	1.6
71.01261	4.7
72.99194	0.6
73.02824	1.1
75.00752	1.9
81.03358	0.4
83.01273	1.0
83.04889	0.4
85.02824	3.4
85.21886	0.3
87.00773	1.1
87.04437	0.3
88.98687	1.3
89.02315	3.9
93.03351	0.5
97.06468	0.4
98.19765	0.6
101.02312	3.3
101.05965	17.1
102.06318	0.4
103.00278	1.0
103.03928	1.0
106.04153	0.9
107.04941	1.4
107.99079	0.4
113.02325	2.0
115.07537	6.2
119.03439	0.5
119.04922	1.7
123.04429	1.0
125.02361	0.7
129.01845	1.3
131.03401	0.3
132.02084	0.8
133.02888	0.9
134.03606	0.8
135.04453	1.4
137.02345	0.5
137.05986	21.4
138.06351	1.1
139.03917	0.6
143.07100	1.7
145.02861	0.8
149.04498	0.7
151.00243	1.6
153.01837	0.5
153.05511	0.8
156.63966	0.4
160.01575	2.3
161.02370	2.8
161.04523	0.9
161.09645	1.4
161.13306	1.0
163.03979	0.9
163.11205	0.4
171.04413	0.5
173.00836	0.5
175.03917	2.1
177.01979	0.4
179.03473	0.7
179.05547	0.8
179.06998	0.4
187.11179	2.4
189.09166	1.2
190.02716	0.8
191.02063	0.4
193.05005	0.4
203.09186	0.7
205.05052	0.9
205.12302	1.0
207.06630	1.0
207.10223	1.6
211.07643	0.7
231.10391	0.5
238.71164	0.4
249.11349	1.3
255.06607	9.2
256.07022	1.5
267.12430	0.6
303.31299	0.4
339.82556	0.4
363.42670	0.4
375.28070	0.4
404.43784	0.3
489.27643	0.9
549.23425	8.9
549.32172	1.9
550.23669	1.3
570.44641	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.4
57.03323	14.5
59.01252	29.6
61.98703	21.2
69.03341	0.7
69.46203	1.1
69.46611	3.1
71.01256	14.0
72.99186	3.5
73.02805	3.7
75.00745	2.8
81.03353	1.0
83.01272	3.2
83.04894	1.2
84.02055	2.6
85.02824	100.0
86.03144	2.1
87.00742	7.3
88.00273	0.7
88.98679	2.1
89.02310	6.8
93.03336	1.2
95.04877	1.1
96.95859	1.1
97.06481	1.4
99.00759	1.8
101.02329	9.5
101.05947	1.1
102.01897	0.9
102.02672	0.6
103.00237	2.3
106.04101	1.9
107.04881	4.2
108.02033	0.9
109.02850	0.7
111.00736	1.9
113.02330	4.9
115.00283	0.8
117.03349	1.0
119.03418	1.3
119.04284	0.7
119.04929	6.9
120.05638	1.1
121.02762	0.9
122.03635	0.8
123.04426	1.5
124.01563	4.0
125.02319	2.0
128.15244	0.6
129.01843	16.5
133.02827	2.5
135.04424	3.7
137.02313	2.9
137.05984	50.6
138.06296	2.5
139.03894	3.6
145.02849	3.9
147.02905	14.3
149.02231	0.9
149.05957	0.8
151.03867	1.0
152.04616	1.2
153.05443	1.7
160.01540	1.2
161.02351	6.3
161.04442	2.4
161.09599	6.8
161.13258	4.4
162.13623	0.6
163.03867	2.6
163.11234	1.1
169.10205	0.9
173.00887	4.5
173.02077	0.9
175.03889	1.8
179.03323	1.3
181.04955	2.1
187.11205	10.7
189.09135	5.6
190.02570	1.8
191.01898	53.9
192.02202	2.0
193.05122	0.7
193.07036	1.7
203.10730	0.9
205.04965	1.5
205.12256	6.8
207.10191	2.8
223.13240	1.4
231.10150	1.1
249.11348	4.3
265.14203	1.1
267.12579	3.3
267.15350	0.9
281.10187	2.0
299.11304	1.2
342.06882	1.3
343.07083	1.0
355.24664	0.9
357.26407	5.1
367.10187	1.0
373.25745	2.4
375.27499	1.4
460.47525	0.7
487.28906	1.7
489.20645	1.1
507.22333	1.2
531.27942	2.0
549.22882	31.7
549.30212	6.2
550.23193	6.2
550.30298	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.0
57.03329	15.8
58.00455	0.3
59.01253	14.7
61.98707	7.2
68.99671	0.5
69.30991	1.8
69.31396	0.8
71.01259	8.1
72.99184	2.7
73.02816	1.4
75.00757	3.2
78.51884	0.3
78.63914	0.3
81.03335	0.3
83.01268	2.8
83.04920	0.6
84.02040	3.3
85.02828	100.0
86.03160	2.5
87.00755	3.8
88.98661	0.5
89.02332	2.8
93.03355	0.6
93.23518	0.4
95.01199	0.6
97.06445	0.4
99.00778	1.2
101.02334	3.6
101.05972	1.3
102.01871	0.8
103.00253	2.3
107.04909	1.3
109.02819	0.6
111.00785	1.4
113.02364	1.5
115.00275	1.5
115.07531	0.8
117.03332	0.7
119.01267	0.5
119.03437	0.7
119.04914	2.4
121.02815	0.7
123.04448	0.4
123.27205	0.3
124.01562	2.1
125.02351	0.7
129.01839	16.9
130.02193	0.6
133.01372	0.6
133.02820	0.7
135.04431	1.3
137.02356	0.8
137.05992	10.6
139.03918	4.5
145.02855	1.2
147.02902	15.2
148.03259	0.6
149.02347	1.2
149.04495	0.5
151.03896	0.8
153.05505	0.7
161.02354	1.2
161.04492	0.8
161.09639	1.3
161.13278	0.9
163.02516	0.3
163.03928	1.2
164.04657	1.2
173.00874	3.1
175.00310	1.6
175.03932	0.5
177.01797	0.3
181.04971	0.8
187.11232	1.6
189.01897	0.4
189.09146	1.9
190.02655	3.9
191.01923	59.0
192.02217	2.4
193.06990	0.5
205.05070	3.0
205.12291	1.4
206.05510	0.6
208.73753	0.3
209.03023	0.4
221.08289	0.4
223.06079	1.0
249.11281	1.0
265.07172	0.6
265.14618	0.6
267.12436	0.6
281.10202	0.4
285.04010	0.4
299.11459	0.3
303.05295	0.6
327.25327	0.9
339.25510	0.9
343.07211	0.5
357.26501	3.9
358.26834	0.5
363.99832	0.3
364.59702	0.4
373.26010	0.4
375.27631	0.4
423.09387	0.3
425.29126	0.6
487.29099	1.2
531.28119	3.2
532.28577	0.5
549.22174	5.6
549.29541	10.2
550.23126	1.4
550.31000	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	549.292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66171	0.4
55.01756	2.6
57.03328	13.7
58.56947	0.4
59.01249	9.8
59.93699	0.4
61.98700	2.6
67.70045	0.4
68.99709	0.6
69.49240	2.7
71.01260	3.8
71.50547	0.4
72.99195	1.8
75.00756	3.2
81.18026	0.4
83.01250	2.0
84.02036	3.2
85.02825	100.0
86.03136	2.2
87.00739	1.8
89.02321	1.2
93.03306	0.7
99.00725	0.6
101.02335	1.6
103.00237	1.9
111.00712	0.9
113.02253	0.4
115.00271	1.1
115.07457	0.4
117.03339	0.4
124.39572	0.4
129.01833	16.4
137.02332	1.6
137.05994	3.5
147.02896	13.6
148.03203	0.8
161.02353	0.7
173.00829	3.5
175.03915	0.5
181.05006	0.7
191.01901	51.1
192.02229	2.3
193.05017	0.4
209.03091	0.8
327.25500	0.9
329.05084	0.4
336.16846	0.4
339.25281	1.0
353.75595	0.4
357.26468	4.5
425.29071	1.3
487.29160	1.5
488.29947	0.4
531.28229	2.9
532.28503	0.5
549.29431	11.5
550.29346	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	549.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26594	0.2
54.63334	0.2
56.72851	0.1
57.03321	0.8
57.37217	0.1
58.00486	0.1
59.01253	100.0
60.01584	1.5
61.98706	3.5
69.62165	0.1
71.01257	3.8
71.01655	0.2
71.54620	0.2
72.99200	0.7
73.02837	0.6
74.02341	0.2
75.00743	0.9
83.01280	0.6
83.04911	0.2
85.02824	2.3
87.00771	0.4
87.04426	0.4
89.02319	2.0
93.03367	0.2
95.01298	0.3
96.95898	0.3
97.02843	0.3
99.00758	0.4
101.02331	2.6
101.05965	18.3
102.06331	0.7
103.03918	0.3
109.02872	0.3
113.02330	1.4
113.06009	0.2
114.36094	0.1
115.07541	7.3
116.07903	0.3
117.03348	1.4
119.03429	1.0
119.04922	2.3
121.02892	0.3
123.04427	0.7
124.99612	0.2
125.02366	0.5
129.00980	0.1
129.01874	0.6
131.03415	0.3
132.02074	0.7
133.02866	3.2
133.06500	0.3
134.03693	1.3
135.04437	1.1
137.02385	0.4
139.03928	0.4
143.03427	0.4
143.07031	1.6
145.02859	4.7
146.03247	0.2
147.04457	0.2
149.02354	0.4
149.04504	0.2
149.06049	0.3
150.03162	0.2
151.00287	0.3
151.03935	0.3
152.01112	0.2
153.05501	0.5
159.03001	0.2
160.01587	2.9
161.02364	7.7
161.04544	0.7
161.06049	0.7
162.02789	0.6
163.03937	2.0
164.04684	0.2
167.03563	0.2
167.10721	0.2
173.00908	0.2
173.08218	0.3
173.33336	0.1
175.03920	3.0
176.04309	0.2
177.01862	0.3
177.05563	0.5
178.02605	0.2
179.03481	0.6
179.05623	0.2
179.07082	0.2
180.03891	0.1
190.02722	0.3
190.27730	0.2
191.01929	0.3
191.03491	0.3
191.07280	0.2
191.09163	0.3
193.04988	1.3
196.07425	0.5
203.09273	0.8
205.05016	1.4
211.09773	0.3
216.02988	0.2
223.06148	0.4
235.06012	1.4
265.07111	1.9
266.07291	0.2
271.06171	0.8
289.07462	0.3
297.11902	0.2
325.09375	0.2
331.00754	0.2
337.09448	0.6
343.12354	0.2
351.21899	0.6
384.21805	0.2
387.23608	0.2
387.28012	0.2
489.17642	0.3
489.27246	1.0
490.18674	0.2
549.16217	0.8
549.23889	4.4
549.29071	1.1
549.32037	1.0
550.16791	0.2
550.23785	1.1
570.82965	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34317	0.8
55.15219	1.0
58.56789	0.8
59.00991	1.2
59.01255	17.0
60.63878	0.9
61.98692	1.7
69.23973	3.1
69.24406	5.5
71.01235	2.1
73.02845	1.7
89.02308	1.9
96.95888	1.5
101.02333	3.0
113.02309	1.6
114.84354	0.9
121.02780	1.4
161.04482	1.1
163.03925	2.6
187.39087	1.0
235.08188	1.3
253.09322	11.0
253.21729	100.0
254.22072	9.7
266.53375	1.1
339.12274	1.4
341.35907	1.0
354.14972	1.3
401.10266	2.0
416.12476	1.4
431.14883	4.2
446.17401	1.5
461.19699	6.3
579.38379	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	551.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.4
57.03328	7.5
59.01252	60.1
61.98383	1.1
61.98703	19.4
67.01745	0.9
68.63184	0.8
69.36261	6.4
71.01250	10.7
72.99179	2.4
73.02810	2.3
75.00719	1.9
78.95760	1.0
81.03330	1.0
83.01257	2.1
84.02017	1.3
85.02825	50.3
86.03154	1.6
87.00750	2.0
88.98679	7.4
89.02321	7.8
93.03326	3.0
95.01307	0.9
99.00735	1.4
99.04400	1.3
101.02319	5.7
103.00275	1.4
105.01851	0.9
107.04905	5.4
108.02021	1.3
109.02838	3.0
111.00729	2.0
113.02316	2.8
117.03374	2.1
121.02814	3.2
122.03587	1.2
123.00753	1.8
123.04430	7.4
124.01553	7.3
125.02310	3.3
129.01851	7.9
131.03380	1.5
132.02043	1.9
133.02890	5.8
134.03651	7.6
135.04369	3.5
137.02342	17.8
137.05980	1.6
139.03915	11.0
145.02812	5.0
147.02870	7.3
147.04410	1.4
149.02341	4.9
149.05975	3.4
150.03130	10.7
151.03873	5.3
152.04712	12.9
153.05481	6.3
160.01567	11.3
161.02216	6.0
161.04424	2.2
163.00250	7.1
163.03856	2.1
164.01009	1.5
164.04657	3.0
165.05476	14.6
166.05800	1.1
173.00810	1.4
175.03900	12.2
176.04507	5.6
177.01871	5.7
177.04379	0.9
178.02637	18.5
179.03333	3.2
179.06995	1.3
180.04175	1.6
190.02631	1.7
191.01901	25.0
191.03610	1.4
191.07076	2.3
192.02174	1.7
193.02338	1.1
193.04996	26.2
193.08665	2.3
194.05414	2.1
195.06529	10.6
205.05069	1.4
205.12108	1.0
209.02965	12.4
225.05583	1.2
235.06119	8.3
243.06633	1.7
255.02939	1.0
265.07077	3.2
267.15918	3.3
271.05972	1.0
286.08194	1.7
295.08121	2.7
301.10654	2.7
314.07819	4.5
329.10284	100.0
330.10629	10.2
341.10135	1.7
359.28052	1.7
389.12372	2.2
397.82614	0.9
431.13309	2.8
441.61621	1.0
482.23779	0.9
550.27167	5.6
551.25708	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	551.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.0
57.03328	3.6
58.00462	2.8
59.01250	40.6
61.98714	5.2
69.49105	8.1
71.01254	31.2
72.99188	2.6
73.02837	3.9
82.51674	1.2
83.01280	2.7
85.02818	7.4
87.00756	7.4
89.02316	20.5
93.03333	1.9
95.01279	1.9
99.00765	2.6
101.02336	7.8
108.02116	1.4
109.02839	3.3
113.02334	7.4
115.03970	1.6
117.03349	28.3
119.03433	1.8
119.04915	13.0
120.05207	1.5
120.26450	1.4
121.02881	5.1
121.03681	1.2
123.00749	6.8
123.04450	3.3
124.01580	6.1
125.02380	4.5
131.03455	2.3
132.02074	21.0
132.02980	2.0
133.02870	10.9
134.03642	52.3
134.04646	2.6
135.04379	4.9
137.02315	7.0
138.03113	13.4
139.03941	6.9
145.02855	100.0
146.03603	8.2
147.04428	15.0
148.05217	3.7
149.02429	3.6
149.04601	2.3
149.06010	9.5
150.03172	1.8
151.03955	3.8
153.01884	1.8
153.05482	14.4
158.03687	1.8
159.04489	1.7
160.01573	70.9
161.02364	39.9
161.04488	2.1
161.06003	1.6
162.03137	41.0
163.03909	14.4
164.04570	1.3
164.56921	1.3
165.01888	10.1
165.05550	2.2
165.51668	1.4
173.06023	2.5
174.03276	1.8
175.00589	2.1
175.03928	73.4
176.04680	16.1
177.01889	6.4
177.05470	14.5
178.02713	4.9
179.03439	4.3
180.04184	10.0
187.03885	7.7
189.05568	2.5
190.06348	1.6
191.07053	21.1
191.08582	1.5
192.04317	1.7
192.07506	1.8
193.04988	57.8
194.05492	4.3
195.06557	8.5
201.05643	2.2
202.06339	4.8
203.07118	4.3
205.05025	3.9
206.05659	1.9
207.06564	6.9
217.05109	3.3
217.08598	2.6
219.06616	3.6
220.03906	1.9
221.08287	3.5
225.07765	1.9
233.08202	9.8
235.06088	61.2
236.06511	3.2
239.07396	1.7
264.43094	1.4
265.07156	23.4
293.04694	2.4
295.08249	31.9
296.08746	3.3
300.02786	1.3
301.03500	1.7
307.08325	13.9
311.05453	2.1
313.07404	4.2
325.07141	2.9
326.07999	2.6
327.08868	3.7
337.09537	1.6
340.09616	4.4
341.10291	8.6
343.08408	3.3
344.09146	5.0
355.11453	9.6
356.09058	1.4
358.10532	9.7
359.11456	15.3
359.15366	9.2
360.11734	2.3
371.11292	12.5
372.11920	1.6
373.12918	15.7
386.13995	3.8
389.12512	5.3
401.15857	11.9
404.14655	10.5
405.15573	5.4
419.17111	57.6
420.17599	7.2
467.12924	1.5
491.19376	4.7
503.15604	21.6
504.16150	2.6
505.26501	1.9
507.10544	1.9
533.16547	29.1
534.17322	5.2
536.19086	11.2
537.19507	1.5
542.43488	1.4
551.21674	86.0
551.30792	4.7
552.22510	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	551.1771
Annotation	Haenkeanoside
Peak:m/z	Relative Intensity
50.92803	0.7
57.03328	0.7
59.01251	34.6
61.98706	1.3
66.71389	0.8
71.01260	7.4
71.34406	1.2
72.99180	1.6
73.02823	16.8
74.98980	0.7
75.00713	0.9
80.45311	0.7
85.02828	12.6
87.00752	3.8
87.04405	0.8
89.02333	3.4
93.03352	1.9
95.01247	0.8
99.04420	1.4
101.02329	3.2
103.03896	3.5
109.02791	0.8
111.00797	1.4
113.02320	2.3
117.03349	32.4
118.03681	1.3
119.00845	0.6
119.03490	1.5
119.04919	32.9
120.05248	1.5
121.02838	3.5
123.00764	1.3
123.04469	0.9
125.02328	1.0
127.03929	1.1
132.05684	1.6
133.06500	8.0
137.02330	1.3
138.03140	0.9
145.02858	100.0
146.03195	4.4
147.04422	1.1
149.02336	9.1
150.02698	1.1
151.03906	1.2
159.04454	0.7
160.01613	1.3
161.02377	1.6
161.05992	19.1
162.03140	1.0
162.06332	1.0
163.03922	43.6
164.04306	2.4
165.05417	0.8
175.04004	1.6
177.01857	52.3
177.05432	9.1
178.02475	3.9
179.03371	1.5
187.03937	3.0
192.04213	19.9
193.04953	4.1
205.05008	27.9
206.05443	1.7
207.06592	3.2
225.07690	1.6
235.06088	16.8
236.06340	1.2
265.07169	35.8
266.07523	2.4
307.08145	1.1
313.51569	0.7
319.63345	0.8
325.09186	5.7
337.09625	0.9
341.10321	0.8
392.95880	0.7
401.16492	0.8
440.95364	0.8
461.23923	2.7
473.23917	1.3
484.25623	0.8
533.16675	25.6
534.17151	4.0
551.18500	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39589	2.2
57.03296	3.9
57.71440	2.0
58.00454	3.5
59.01252	67.2
61.98705	22.1
67.91769	2.0
69.67446	10.9
71.01255	20.3
72.99157	4.2
73.02791	8.2
75.00713	2.1
82.05428	2.0
83.01234	4.5
85.02781	10.1
87.00745	17.6
89.02276	10.1
93.03323	3.7
95.01239	3.5
96.95845	2.6
97.40789	2.2
101.02293	8.6
103.08236	2.1
109.02802	3.1
111.00729	4.5
113.02266	7.6
117.03345	14.1
119.04905	14.2
121.02804	5.5
123.04346	9.8
124.01524	2.1
132.02072	16.6
133.02849	29.8
133.06422	4.2
134.03650	25.9
135.04341	9.4
137.02235	7.4
137.05905	2.3
145.01857	2.7
145.02841	32.7
147.04305	2.6
149.02242	10.0
149.05945	4.4
150.03128	28.5
151.00194	3.1
151.03831	5.1
153.05432	4.0
160.01585	76.6
161.02361	94.0
161.04367	4.2
161.05907	10.2
162.02647	3.6
163.03954	21.2
164.04565	8.7
165.05482	17.5
166.02473	2.4
175.03931	100.0
176.04175	7.7
177.01671	3.2
177.05316	6.9
178.02524	4.1
179.03479	12.8
180.04108	4.3
181.04822	6.1
191.03355	4.6
193.05009	31.8
194.05695	2.8
195.06624	14.2
205.04945	14.0
235.05873	6.2
265.07040	8.4
286.65717	2.3
337.09277	40.9
338.09473	4.3
344.12030	2.7
389.14905	3.5
491.19159	4.0
503.15628	72.1
504.16034	11.0
521.19958	3.9
533.16003	10.6
551.17224	8.5
551.24329	71.2
551.30713	8.0
551.38007	4.3
552.24524	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	551.2135
Annotation	Nudiposide
Peak:m/z	Relative Intensity
55.01737	1.1
57.03337	1.1
57.78424	0.5
58.00465	1.2
59.01251	38.8
69.36942	3.4
71.01251	25.9
72.01557	0.6
72.99184	2.2
73.02812	2.4
83.01250	2.9
84.88362	0.7
85.02831	7.1
85.43153	0.5
87.00751	2.2
89.02318	21.5
99.00764	0.8
101.02308	2.5
113.02326	1.6
115.03882	1.0
121.02818	2.1
122.04803	0.6
123.00765	5.6
124.01569	4.4
125.02396	0.7
131.03378	1.7
134.03625	0.8
137.02365	1.5
138.03133	17.4
139.03937	6.4
145.02798	1.4
149.04472	1.7
152.04645	1.1
153.05472	16.3
154.05847	1.3
159.04416	1.5
160.01524	0.7
161.02402	1.1
174.03073	1.3
175.03917	2.2
177.01897	0.8
177.05533	1.1
186.03171	0.5
187.03935	7.4
188.04649	2.1
189.05496	1.5
191.07106	1.0
201.05492	2.2
202.06277	8.6
203.07022	6.0
205.05006	1.4
206.05736	1.3
207.06454	1.1
217.04958	1.1
217.08632	2.5
218.05725	1.1
219.06532	0.9
220.07387	1.1
221.08118	5.2
222.45990	0.5
232.07339	1.4
233.08144	11.1
234.08525	0.9
235.06079	1.0
237.07704	0.8
237.99690	0.7
247.09721	1.2
250.08441	1.4
255.06543	0.8
267.06470	0.8
281.04623	0.8
283.06131	0.6
285.07648	0.6
293.04688	1.2
294.05383	1.4
297.07773	0.7
301.07214	1.0
302.07938	0.6
309.07645	1.4
311.05582	1.5
312.06299	1.8
313.07242	4.1
313.10443	0.9
314.07758	1.1
315.08493	0.6
317.10361	1.6
324.06485	0.7
325.07162	4.6
326.07925	3.1
327.08679	4.5
328.09113	1.3
329.06586	1.1
329.10303	0.9
338.08316	0.8
340.09476	5.2
341.06421	1.4
341.10211	9.2
342.10760	1.2
343.08713	2.8
343.11520	3.0
344.08905	4.0
353.10263	0.7
354.11105	0.6
355.08170	0.5
355.11862	10.8
356.08850	2.5
356.12726	3.2
357.09558	1.1
357.13419	1.5
358.10489	10.0
359.06796	0.6
359.11322	19.0
360.11740	2.8
371.11304	18.1
372.11786	3.4
373.12888	29.8
374.13113	4.0
385.12854	0.8
386.13617	7.0
387.14276	1.3
389.12439	11.5
390.12823	2.7
401.16043	14.2
402.16498	1.4
404.14700	13.4
405.15405	5.5
419.17096	60.8
420.17459	8.2
505.17087	2.0
521.16425	1.0
533.16785	0.8
536.18970	8.7
537.19421	1.7
551.21313	100.0
552.21667	19.9
579.56653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	3.0
59.01248	13.3
61.28432	0.5
61.98701	4.5
69.03313	0.5
69.25671	1.1
69.26083	3.5
71.01250	6.3
72.99150	0.9
73.02826	2.3
78.24783	0.5
83.01271	2.6
83.04903	1.1
85.02834	3.1
85.24891	0.5
85.51688	0.5
87.00742	3.6
89.02329	2.9
93.03333	2.6
97.06471	1.6
99.00757	0.9
101.02337	3.4
107.04877	3.6
113.02326	1.8
119.03396	0.7
119.04905	0.7
120.05714	1.5
123.04403	2.0
124.01557	46.3
125.01984	0.7
125.02332	0.8
125.06042	0.6
132.02066	3.4
133.02855	1.7
133.06520	0.6
134.03632	3.8
135.04480	2.8
135.08044	0.7
137.02364	4.6
139.03912	100.0
140.04262	4.6
141.05467	1.1
149.04439	0.7
149.06052	0.8
150.03143	0.8
152.04686	1.0
153.05493	1.5
160.01575	18.7
160.29414	0.5
161.01987	1.7
161.04465	1.2
161.09642	7.9
161.13274	4.0
162.10016	0.6
163.03998	0.9
163.11211	2.0
165.05502	0.6
175.03926	21.6
176.04260	2.1
177.05556	0.7
179.03349	0.5
181.26881	0.5
187.11217	12.2
188.11609	1.2
189.09123	8.1
190.09436	0.9
191.01958	0.8
193.05119	2.5
195.06522	0.7
203.10710	1.6
203.79137	0.6
205.12277	9.1
207.10182	3.6
223.13322	2.3
227.07045	2.0
231.10269	1.3
235.06186	0.7
249.11302	9.0
267.12350	3.2
273.11319	0.7
299.88446	0.7
301.09311	1.1
349.16565	0.7
359.27933	1.1
399.63937	0.5
407.14124	0.7
411.16684	2.9
551.21332	44.9
551.28729	23.0
552.21735	9.8
552.29181	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	551.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.8
57.34188	0.9
58.00507	0.8
58.60986	0.9
59.01256	19.3
61.98704	12.3
69.34140	7.1
71.01257	11.3
72.99168	1.1
85.02824	1.7
87.00723	1.7
88.98672	2.2
89.02316	16.1
98.20660	0.9
101.02316	2.3
113.02313	2.1
117.02553	1.8
117.03352	25.7
119.03428	1.1
119.04913	13.0
123.04450	1.2
125.02348	0.9
131.03403	2.6
133.06502	3.1
141.62624	0.9
145.02861	100.0
146.03203	3.9
146.23302	0.8
149.04436	2.6
161.02373	1.6
161.04753	1.0
161.05945	5.1
163.03926	18.5
165.05515	1.3
177.05525	2.3
180.54958	0.9
205.05005	9.4
224.04820	0.9
235.05946	1.3
244.62381	1.0
255.10262	1.9
265.07117	4.2
268.32687	1.0
283.09753	6.2
298.12265	1.0
310.12225	0.9
311.09253	16.9
312.09589	1.6
325.10828	2.6
326.11566	13.4
327.11713	2.2
341.13959	21.5
342.14270	3.0
551.24921	65.8
552.25317	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.6
59.01249	4.8
61.40692	0.5
61.98705	28.4
71.01255	2.0
71.25239	0.7
73.02816	0.8
85.02834	2.1
89.02319	1.1
90.57571	0.6
93.03364	0.7
96.95925	0.8
101.02348	0.9
107.04958	1.3
109.02889	0.9
113.02298	0.7
117.03365	1.0
121.02865	5.3
122.03587	0.6
123.04428	2.5
128.49333	0.6
134.03635	17.0
135.04428	18.0
136.01579	0.6
137.02321	0.9
149.02351	48.2
149.05879	2.7
150.03149	7.6
151.03908	1.2
153.05511	1.3
161.05980	1.7
164.04715	100.0
165.05507	25.1
166.05792	1.4
178.02667	1.4
179.07074	52.7
180.07452	2.8
193.04999	11.4
194.05402	0.9
209.08099	1.0
216.59105	0.5
240.04233	4.3
242.06126	0.6
255.06598	14.7
255.09276	0.8
256.06961	1.1
256.66299	0.5
270.08948	10.4
271.09427	0.9
281.08206	0.8
282.09039	0.9
285.11334	12.8
286.11655	1.2
297.11325	2.1
311.12793	1.0
314.14957	0.5
346.32593	0.7
371.14987	19.3
372.15518	2.6
416.32004	0.6
491.27478	0.7
503.20767	1.0
519.14850	0.7
551.22858	23.2
552.23267	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	551.25
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54232	0.3
57.03325	1.6
59.01254	8.9
61.98703	2.3
63.36170	0.3
65.56852	0.3
69.46106	2.3
71.01256	5.1
72.99169	0.5
74.14116	0.3
75.00741	0.5
79.03857	0.4
83.01295	0.4
85.02834	1.5
87.00764	1.2
89.02319	4.7
93.03333	0.6
101.02322	1.4
106.37558	0.4
113.02349	1.1
117.03355	27.9
117.92824	0.4
118.03703	1.2
119.03539	0.6
119.04921	15.8
120.05267	0.7
121.02850	1.0
123.00790	0.5
123.04404	1.2
124.01615	1.0
125.02383	0.4
131.03424	0.8
131.04916	0.5
132.05707	0.4
133.06476	2.6
135.04391	0.3
137.02344	0.5
145.02859	100.0
146.03188	4.9
147.04443	0.4
149.04483	0.9
151.04002	0.4
161.02348	0.9
161.05997	6.7
161.07214	0.6
163.03923	19.1
164.04369	0.9
167.03432	0.9
167.10667	0.4
168.00597	0.5
175.03923	0.4
177.05464	2.2
185.21597	0.3
192.01678	0.3
205.05008	7.6
206.05310	0.6
235.06122	1.4
255.10327	0.4
265.07159	3.7
273.07681	0.5
283.09799	2.1
311.09290	4.1
312.09512	0.4
325.10779	0.4
326.11591	2.8
341.13943	4.5
342.14282	0.8
371.24350	0.4
401.16272	0.5
523.76581	0.3
551.24902	69.6
552.15973	0.6
552.25250	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	551.2503
Annotation	Dracunculifoside A
Peak:m/z	Relative Intensity
55.01743	0.6
57.03329	1.5
58.00475	1.0
59.01252	22.1
61.98710	2.2
69.33383	0.4
69.45678	1.1
69.46093	1.6
71.01254	15.3
72.10664	0.4
72.99187	1.4
73.02819	1.7
83.01262	0.6
85.02827	3.0
87.00769	2.4
88.00263	0.5
88.98672	0.7
89.02321	17.0
90.02637	0.4
92.65168	0.4
93.03374	0.5
95.01246	0.5
96.95876	0.4
99.00812	0.6
101.02315	4.1
105.03355	0.6
107.04844	0.4
113.02330	2.7
117.03349	16.8
118.03683	0.9
119.03494	0.5
119.04925	9.2
121.02847	0.8
123.00730	0.7
123.04414	0.9
127.18143	0.4
131.03380	2.2
131.04892	0.7
132.02089	1.8
132.05638	0.6
133.02855	34.5
133.06512	2.0
134.03090	0.8
135.04422	8.3
137.02367	2.7
138.03069	0.7
139.03851	0.4
145.02858	53.6
146.03157	2.2
147.04431	0.5
149.02388	0.6
149.04460	1.8
151.03972	1.4
152.04691	0.4
153.05484	0.8
155.10629	0.4
159.04408	1.1
161.02354	100.0
161.05940	4.0
162.02690	5.7
163.03928	11.7
164.04298	0.5
167.10637	0.7
174.03069	0.5
175.03897	2.9
177.05487	2.4
179.03407	4.7
179.07072	0.5
180.04012	0.5
187.03935	3.0
188.04689	1.1
188.85298	0.5
189.05487	1.4
190.06253	1.2
191.07025	0.5
191.62465	0.4
194.05728	0.5
195.06566	0.5
196.06422	0.4
196.92183	0.5
202.06274	1.1
203.03331	0.5
203.07022	1.2
204.04140	0.4
205.05022	6.2
205.08589	1.1
219.06558	1.1
220.07338	2.8
233.08131	0.4
235.06078	0.9
235.09691	2.9
265.07156	2.5
295.05814	0.5
341.10117	2.5
355.12039	0.5
356.12595	1.1
371.11002	0.7
371.15170	1.9
386.13794	0.9
389.16034	1.0
401.16040	24.5
402.16400	3.4
551.24945	98.3
552.25360	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	551.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	3.2
57.03324	15.3
59.01252	10.7
61.98695	5.4
68.99682	0.8
69.03328	1.8
69.50448	3.1
71.01260	6.1
72.99184	2.0
73.02835	1.3
74.85046	0.5
75.00751	2.4
75.59891	0.5
81.20038	0.5
83.01254	2.1
84.02032	2.7
85.02824	100.0
85.68799	0.5
86.03148	2.6
87.00746	3.3
89.02332	2.1
97.00547	0.5
98.20512	1.2
99.02026	0.6
101.02328	2.9
103.00248	2.1
106.20026	0.5
107.04921	0.8
108.02031	1.1
111.00784	1.5
113.02319	1.1
115.00303	1.1
123.00736	0.7
123.04391	0.9
124.01559	11.0
125.02395	2.8
129.01836	14.9
135.00719	0.8
139.03918	20.1
140.04260	0.8
147.02905	14.6
151.00288	0.7
152.01064	2.4
152.04692	0.7
153.05475	1.3
161.04468	0.9
161.09677	2.1
161.13280	1.1
163.11169	0.6
173.00903	2.7
181.17175	0.6
183.91814	0.5
187.11205	2.4
189.09129	1.8
191.01898	57.8
192.02281	2.4
205.12291	2.1
207.10193	1.1
209.02975	1.6
243.06584	2.8
249.11349	1.5
250.33656	0.6
267.12381	0.8
306.73178	0.6
331.51709	0.5
333.00244	0.7
334.57617	0.6
341.27325	0.9
359.28009	4.9
404.97061	0.6
405.35101	0.6
427.30649	1.1
489.30667	1.1
515.28583	0.7
533.29742	3.4
551.21405	11.2
551.30865	18.8
552.21899	2.5
552.31226	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.9
56.57172	0.2
57.03325	14.8
58.00467	0.4
59.01251	10.3
61.98702	5.0
67.01753	0.2
67.91141	0.2
68.99685	0.6
69.67447	0.4
69.67851	0.9
70.21106	0.2
71.01255	6.1
72.53916	0.2
72.99184	2.7
73.02824	1.0
75.00755	2.7
83.01259	2.0
83.04942	0.2
83.21904	0.2
83.23647	0.2
84.02045	3.6
85.02825	100.0
86.03149	2.1
87.00757	2.5
88.98692	0.5
89.02328	1.9
91.00235	0.3
93.03358	1.1
95.01279	0.3
98.19853	0.3
99.00772	0.8
99.04376	0.5
101.02326	2.2
103.00248	2.3
105.01835	0.3
109.02834	0.4
111.00769	0.9
113.02341	1.1
115.00270	0.9
117.03359	0.5
119.03442	0.4
119.04926	4.3
123.00709	0.2
123.04418	1.5
124.01590	1.2
125.02318	0.4
129.01836	15.3
130.02177	0.5
132.02087	0.5
133.01328	0.3
133.02887	1.1
134.03653	1.4
135.04384	0.7
137.02345	1.1
137.05978	0.3
137.09685	0.2
139.03917	1.9
139.07564	0.3
145.02855	0.8
147.02899	14.5
148.03165	0.3
149.02397	0.4
149.05960	0.3
150.03073	0.2
151.00243	0.4
151.03889	0.3
153.05458	1.2
153.69391	0.2
160.01578	1.7
161.02371	3.3
161.04433	0.5
162.02788	0.2
163.03934	2.7
163.07594	0.3
163.11354	0.2
164.04684	0.5
165.01952	0.3
165.05441	0.6
167.03375	0.7
173.00838	2.3
175.03941	1.4
177.01826	0.3
177.05344	0.2
179.03410	0.4
181.05025	0.3
183.02950	0.4
183.06517	0.5
183.10161	0.4
190.02696	0.5
191.01906	48.8
192.02252	1.4
193.04988	0.8
193.06822	0.2
205.04976	0.7
207.73694	0.3
209.02971	0.6
225.07697	0.3
225.11392	0.3
227.07024	0.5
243.06673	0.5
267.15955	0.7
268.03696	0.7
269.04538	5.3
270.04889	0.4
273.76740	0.2
313.23697	0.5
329.23148	0.4
341.26929	0.4
342.00681	0.2
359.28067	5.5
360.28516	0.5
371.24194	0.5
375.11877	0.2
375.16513	1.3
375.27328	0.4
387.16611	0.4
389.16095	0.3
427.30637	1.0
471.30023	0.2
489.30862	1.3
503.17410	0.3
507.22464	0.5
533.19196	0.4
533.29639	2.7
534.29773	0.4
551.12817	2.8
551.22107	2.2
551.30713	16.3
552.12347	0.6
552.22693	0.7
552.31128	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	13.1
61.98710	1.0
71.01251	2.4
71.09202	1.8
73.02808	1.2
89.02357	2.0
96.95888	1.2
101.02304	2.4
113.02337	1.2
119.03397	0.8
132.18004	0.9
161.04449	1.3
167.76027	0.9
235.08275	1.9
253.09233	13.5
255.23270	100.0
256.23605	10.2
307.91333	0.9
337.31067	0.9
368.49158	0.9
380.17395	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39711	0.9
53.67044	0.9
59.01252	18.1
62.55851	0.9
65.61510	1.0
68.99348	0.9
71.01234	3.1
71.53999	1.2
89.02318	3.0
94.84562	0.8
100.69412	0.9
101.02319	3.4
113.02332	1.0
122.70695	0.8
144.96301	1.0
231.52658	1.0
235.08136	2.3
253.09241	13.3
255.23279	100.0
256.23627	9.6
551.22137	1.1
561.67023	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28630	0.2
51.85356	0.2
55.01769	0.2
57.03334	1.3
59.01249	3.6
61.98703	100.0
65.00204	0.4
69.39715	1.3
71.01258	2.2
72.99171	0.3
73.02840	0.7
75.00748	0.5
78.95754	0.2
83.01273	0.7
85.02826	5.9
86.03153	0.6
87.00748	0.6
87.03262	0.2
89.02319	1.0
93.03349	0.9
95.01276	0.3
97.02868	0.2
98.20572	0.4
101.02348	1.4
103.00265	0.3
103.03982	0.2
105.01834	0.6
107.01295	0.9
107.04932	0.3
111.00781	0.4
112.34180	0.2
113.02341	0.6
117.03325	0.4
119.03513	0.2
119.04902	1.9
121.02845	0.4
123.00787	0.6
123.04424	1.9
124.01588	2.4
125.02322	1.1
129.01851	0.9
134.03624	0.4
135.04317	0.2
137.02367	0.5
138.03069	0.3
139.03920	3.8
140.04276	0.8
145.02855	1.4
147.00751	0.3
147.02901	0.9
147.04532	0.2
148.55043	0.2
149.02382	0.6
150.03142	0.8
151.00272	2.7
153.05493	2.1
160.01602	0.6
161.02370	0.6
161.04533	0.5
161.09656	0.5
163.03961	0.6
164.04712	0.5
165.05528	0.8
175.00322	1.0
175.04024	0.5
177.01903	0.3
179.07076	0.3
183.67949	0.2
187.11232	0.5
188.11543	0.3
189.09204	0.4
190.02652	1.8
190.09496	0.4
191.01918	2.4
192.02306	0.5
193.02388	0.3
193.05083	0.5
194.42334	0.2
195.06610	0.4
205.05019	2.1
205.12314	0.4
223.06155	0.6
227.07219	0.2
238.09401	0.2
261.48917	0.2
267.16095	0.4
268.16318	0.3
271.06125	4.8
271.08917	0.4
281.06726	0.8
343.11795	0.2
388.89880	0.3
551.23132	0.2
551.31549	0.8
552.21808	2.1
552.31171	0.7
553.13739	0.5
553.22327	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	552.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81022	0.9
55.48442	1.0
56.43710	0.8
56.55233	0.9
59.01245	4.5
61.98714	5.5
71.53686	0.8
78.95778	28.4
113.15738	0.9
116.04365	0.9
152.99501	2.7
158.03337	0.9
168.04160	4.9
224.06879	11.2
242.07939	2.3
253.21686	8.9
277.21725	100.0
278.22061	11.8
478.29388	1.9
502.29422	75.3
503.29807	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	553.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90190	1.3
56.14484	1.4
58.46934	1.5
58.87249	1.4
59.01250	14.9
60.54197	1.5
60.99181	14.8
61.98694	3.6
62.34795	1.5
65.00201	1.7
67.36066	1.6
67.43948	1.4
71.01263	12.3
71.54209	2.7
71.68991	1.5
72.01592	1.6
73.02808	1.9
83.01289	2.1
85.02834	3.3
87.00743	2.4
88.98680	89.0
89.02320	10.3
90.44153	1.4
95.01271	2.0
101.02325	8.0
101.83335	1.4
107.01241	2.3
108.02078	1.9
113.02351	2.0
115.04008	1.4
121.02866	3.3
123.00751	2.7
123.04426	2.7
135.04405	6.7
137.02319	4.9
138.03104	5.2
145.02827	2.0
147.04492	2.1
149.02394	1.8
149.06000	2.2
151.00284	8.0
151.03839	1.9
153.01743	1.8
153.05479	2.0
161.02335	3.3
161.05966	2.9
163.03934	3.0
165.05536	4.1
169.01285	1.7
177.01877	2.6
178.99838	2.4
179.07057	3.2
180.07837	10.9
182.05612	1.6
183.10223	1.8
195.06570	3.5
203.06934	2.0
212.06873	2.1
215.19246	1.5
233.08179	1.9
243.03044	4.2
255.02971	14.6
259.50403	1.6
271.02484	29.9
272.02969	2.9
300.02740	54.9
301.03497	27.6
302.03830	3.2
311.94925	1.5
328.09415	2.2
343.11649	4.1
358.14124	3.9
361.16397	3.1
373.12189	2.0
373.16653	2.7
391.12653	3.0
391.17664	54.4
392.17969	4.9
420.17538	6.8
421.17746	3.7
463.08859	100.0
464.09137	13.9
493.22964	4.0
537.19226	2.1
538.20032	2.3
552.21747	10.7
553.11169	1.4
553.12909	1.9
553.21844	16.3
553.28033	2.7
553.30682	3.2
564.35754	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	553.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24358	3.2
57.03308	5.0
59.01256	60.4
61.98705	69.7
65.09077	3.5
68.19895	3.1
71.01268	26.5
71.53954	3.4
73.02824	6.1
83.01286	8.2
85.02836	12.3
87.00737	7.8
89.02302	16.7
93.03313	3.8
101.02323	19.0
109.02833	9.5
113.02323	13.1
119.03387	4.4
119.04867	5.9
121.02837	5.7
121.10128	6.7
122.03561	4.4
123.04402	13.9
125.02326	13.3
135.04390	4.9
137.02345	14.7
139.03915	5.4
145.02818	6.1
149.02332	10.5
150.03087	8.2
151.03894	8.8
153.05489	12.8
161.02362	4.2
161.04465	4.2
161.09735	3.4
164.01184	4.9
164.04741	8.5
165.01851	60.8
165.05525	9.7
165.09134	10.5
167.03439	4.3
175.03967	4.8
176.04604	3.7
177.01871	6.3
177.05453	4.2
179.03473	18.6
179.05487	3.6
179.07045	10.0
179.10732	6.3
179.48492	3.4
180.04214	41.9
181.04906	3.7
189.01915	5.2
195.06583	100.0
196.06909	7.6
205.05139	3.9
209.11784	21.6
217.01373	4.1
225.05598	3.9
225.07713	9.3
283.13419	6.1
331.18826	4.1
341.06668	6.6
355.24774	4.7
391.14154	5.7
499.19525	4.8
552.30920	4.7
553.26660	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	553.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.0
57.03325	2.5
59.01254	56.2
61.98706	43.7
69.03332	0.8
71.01257	9.6
71.54956	1.3
71.65559	0.8
72.99195	4.4
73.02821	3.3
75.00750	2.5
80.63657	0.8
83.01268	2.8
85.02821	8.5
87.00749	1.0
88.98670	1.3
89.02316	7.0
93.03353	3.4
97.02824	1.1
99.00789	1.4
101.02307	10.0
105.01824	2.8
107.04932	2.9
109.02893	4.7
109.03506	0.9
111.00745	1.5
113.02328	4.0
117.03368	1.4
119.03385	2.0
119.04904	1.7
121.02839	1.8
123.00691	1.1
123.04436	6.0
124.01556	7.2
125.02351	2.5
131.03447	1.0
133.02858	6.5
134.03662	2.6
135.04407	3.2
137.02338	14.5
139.03922	12.7
139.79419	0.9
140.04240	3.3
145.02882	3.1
146.03656	5.7
147.04385	1.7
149.02345	2.6
149.04437	1.5
149.05952	1.7
150.03139	4.3
151.00339	1.0
151.03902	4.6
152.01051	1.2
152.04695	20.0
153.01849	3.3
153.05537	4.6
160.01579	3.2
161.02364	15.2
161.04454	2.3
161.05902	2.3
163.03912	9.0
164.00993	1.3
164.04706	7.0
165.05431	4.4
167.07056	23.9
168.07439	1.3
175.00291	2.0
175.03928	3.3
177.01936	1.2
179.03436	1.2
179.07083	11.4
179.10693	1.4
180.04178	5.5
181.05135	1.2
183.10199	1.5
185.09770	1.3
190.02657	4.3
191.03467	1.0
193.05016	2.1
195.06561	29.3
196.06871	1.4
205.04970	5.8
209.11781	3.6
223.06129	2.5
253.04854	1.2
256.03882	1.1
259.27130	1.0
289.06815	1.3
299.09384	1.2
313.07327	1.3
313.10727	11.6
314.08023	1.0
314.11340	1.7
315.08810	1.4
327.08707	2.0
328.09497	3.8
330.11160	2.8
331.11871	100.0
332.12241	11.0
341.10083	1.2
342.11234	1.2
343.11877	9.2
344.12283	1.7
345.13528	2.2
355.11780	3.2
357.13565	2.3
361.03464	2.3
361.22229	2.9
363.75732	1.1
373.12973	3.5
377.03305	1.2
377.18466	1.5
391.13940	2.1
391.27417	1.3
406.03204	2.2
407.04016	3.5
460.67847	1.1
493.26587	1.8
535.20490	1.3
553.09998	2.3
553.26544	18.1
553.32904	1.6
554.26849	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	553.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27328	0.4
57.03314	0.6
59.01252	100.0
60.01580	1.3
61.98704	9.4
71.01252	3.3
72.99174	0.6
73.02831	1.0
75.00768	0.7
76.41763	0.3
83.01286	0.8
85.02835	1.4
85.59065	0.3
87.00768	0.6
88.98647	0.4
89.02340	1.5
93.03362	0.7
96.95919	0.7
98.20570	0.8
99.19131	0.3
101.02320	2.5
101.05979	0.5
105.01815	3.5
106.04149	0.5
108.02065	2.1
109.02814	0.6
113.02299	0.9
117.03427	0.4
121.02845	1.6
122.03629	1.8
123.00776	0.5
123.04420	3.6
124.01585	0.8
125.02370	1.2
133.02927	0.5
135.04436	0.8
136.01501	0.4
136.05214	0.6
137.02328	4.2
137.03160	0.4
139.03906	0.6
141.01891	0.4
145.02896	0.8
149.02388	1.3
150.03160	3.3
151.03883	1.1
152.04677	1.2
153.01848	0.9
153.05508	1.3
153.74489	0.4
154.02675	0.5
159.67863	0.4
161.02385	0.9
161.04529	1.2
163.00336	1.4
163.03934	0.4
164.01103	1.3
164.04680	0.8
165.01817	0.5
165.05498	4.5
167.03442	0.5
168.04213	0.7
175.00359	0.8
175.03995	0.8
177.01927	0.6
178.02643	3.7
179.03432	5.0
179.07124	0.5
180.03944	0.4
190.02716	1.8
193.05003	2.9
195.06760	0.4
197.39821	0.4
199.92398	0.4
205.05052	2.2
207.06613	0.5
209.08250	0.5
218.60887	0.4
220.42513	0.4
223.06128	0.6
230.76303	0.3
259.06183	0.9
269.04706	0.6
287.05579	0.6
299.09143	0.7
302.69287	0.4
313.10559	0.4
331.11865	33.8
332.12228	4.4
348.47119	0.4
361.22485	1.2
379.31570	0.4
391.14099	0.7
391.27078	0.7
392.82764	0.5
493.26837	0.8
553.22406	4.6
553.32660	4.0
554.22522	0.7
554.32513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31500	2.0
56.31388	1.8
57.03319	5.7
59.01255	35.7
60.68338	2.1
61.98702	60.3
71.01254	27.0
72.99186	4.2
73.02826	5.6
75.00749	2.9
82.67268	1.9
83.01270	4.2
83.04925	2.4
85.02831	11.4
87.00745	7.5
88.98670	4.0
89.02319	14.6
93.03344	2.6
95.04897	2.4
97.02843	3.2
98.19759	3.9
99.00777	3.3
101.02333	18.2
109.02840	2.3
112.21693	1.8
113.02327	14.2
117.03348	4.2
119.03393	5.8
121.02840	8.0
121.06487	20.2
121.10099	10.8
122.03638	3.0
123.04425	13.8
124.01543	6.6
125.02374	9.3
130.07191	2.2
131.03406	2.3
133.02814	2.3
134.03654	2.5
135.04375	2.7
136.01564	2.0
136.05243	3.4
137.02370	5.3
138.03120	2.5
139.03909	11.6
140.04239	2.1
140.05991	2.0
145.02850	5.7
145.10141	5.0
149.02354	33.1
149.04506	2.4
150.03131	27.6
151.03899	11.2
151.11198	7.1
152.11563	2.2
153.05475	4.4
160.01578	4.9
161.02327	6.1
161.04428	7.5
161.09631	7.5
163.03906	4.3
163.11246	12.8
164.04721	5.8
165.01909	2.8
165.05499	39.8
165.09114	62.4
166.09506	2.1
167.03416	27.8
175.00266	2.5
175.03984	5.8
177.01851	100.0
177.09039	2.4
178.02280	6.3
179.03510	2.4
179.10715	21.9
180.04166	2.1
181.04993	5.4
183.10091	2.3
189.09143	2.4
190.02652	6.7
191.03400	3.7
192.04230	40.9
193.04939	5.5
195.02968	3.2
195.06583	23.7
205.05034	7.7
207.06665	9.3
207.10181	21.9
210.05284	4.0
221.04465	2.1
225.07565	4.2
229.55753	2.2
249.07678	3.3
259.13376	2.4
311.09177	2.3
343.11789	12.3
344.12198	2.9
355.24780	2.3
361.16443	2.2
367.11960	2.2
369.11862	2.9
387.12936	7.4
391.13937	27.9
392.14291	5.1
415.13925	3.5
491.98538	2.1
493.26666	2.8
493.37494	2.3
507.35455	2.6
535.21954	2.8
553.23792	8.6
553.33008	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	553.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07181	0.5
55.01762	0.6
57.03325	1.4
58.00467	1.4
59.01251	24.9
61.98712	4.1
63.96124	0.6
65.66879	0.6
69.50667	0.5
71.01257	21.5
71.33884	0.6
71.34232	0.8
72.99165	1.1
73.02824	2.0
81.53468	0.5
83.01270	1.9
85.02819	5.7
87.00754	1.2
88.98692	1.0
89.02318	14.9
94.67761	0.5
97.02814	0.7
99.00746	1.0
101.02292	2.8
108.02078	0.6
109.02857	3.5
113.02348	2.1
117.03359	0.9
119.03451	0.8
119.04953	0.8
121.02835	2.0
123.00806	0.9
123.04449	1.3
124.01565	3.6
125.02345	6.2
131.03415	0.9
131.56656	0.5
136.01578	0.7
137.02351	24.1
138.03160	7.3
139.03931	8.1
145.02867	2.4
147.04463	1.4
149.02402	0.6
149.04558	0.7
149.06046	0.9
150.03125	1.9
151.03925	11.3
152.04697	5.8
152.60532	0.6
153.01878	0.7
153.05455	2.5
159.04399	0.8
160.01694	0.9
161.02319	1.2
162.03162	4.4
163.03909	6.4
164.04649	2.4
165.05484	2.9
166.02638	0.6
166.06274	2.2
170.02106	1.1
175.03960	3.3
176.04674	3.7
177.05508	11.9
177.34891	0.6
178.05914	1.3
179.03438	1.6
179.07056	1.5
180.04208	13.4
181.04985	20.2
182.05379	0.7
184.03667	2.0
188.04778	0.7
189.05473	2.2
190.06273	1.3
191.07021	3.6
192.07851	3.1
193.04965	1.5
194.05841	3.5
195.06570	26.7
196.06866	1.0
198.05295	1.5
203.07068	0.7
204.07928	0.8
205.05057	1.4
205.08670	1.4
206.05760	1.7
206.09428	0.9
207.06587	4.5
208.07269	1.2
209.08081	4.5
211.75204	0.7
219.10199	0.8
220.07349	1.0
221.08173	2.7
224.06834	0.7
237.07736	0.7
240.14175	0.8
328.09344	0.7
330.11053	0.8
331.11957	0.7
343.11923	3.3
357.13397	0.9
358.14273	3.4
359.14807	0.8
361.12924	4.6
362.13620	0.9
371.14838	1.1
373.12827	5.4
373.16687	3.0
374.13092	0.8
374.17212	0.9
375.14450	2.7
388.15305	6.9
389.15704	0.7
391.13986	11.8
392.14474	1.3
403.17621	13.1
404.18030	1.0
406.16281	17.1
407.16870	2.9
421.18680	100.0
422.18973	13.4
538.20508	3.0
547.16351	0.6
553.22919	95.4
554.23212	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	553.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.3
61.98711	4.6
69.31138	4.1
69.57931	0.5
71.01288	0.9
79.76435	0.6
85.38057	0.5
95.01290	0.9
104.66568	0.6
108.02060	16.5
112.70581	0.6
120.60588	0.7
123.04408	13.8
134.03644	3.5
135.04459	0.9
136.01566	100.0
136.47377	0.5
137.01865	2.9
137.02197	2.9
138.88683	0.5
142.81111	0.5
149.06009	4.6
151.03918	93.3
152.04240	4.4
163.03876	4.4
178.06284	2.5
187.04015	0.9
191.07054	1.2
193.08629	1.9
197.05956	3.7
206.09552	0.8
211.04016	1.5
211.07663	3.3
211.09393	0.6
212.08305	1.4
215.07079	1.3
223.07591	3.6
235.84074	0.7
237.05351	0.7
239.07057	3.4
240.04221	0.7
240.07910	5.0
241.08310	0.7
249.29932	0.6
251.07190	1.3
253.05023	1.0
255.10236	2.9
256.07477	0.8
267.06610	5.8
268.07401	28.2
269.07782	3.0
282.09003	1.2
283.09760	66.9
284.10114	6.5
297.11395	1.4
298.12085	25.8
299.12433	2.8
311.09363	0.8
313.11078	0.5
313.14453	10.7
314.14624	1.2
326.11661	1.9
341.08139	0.6
341.09521	0.9
341.13968	16.1
342.14240	2.1
359.09274	1.2
359.14816	0.9
369.07715	2.1
387.08627	4.8
388.09006	1.2
391.11832	1.8
402.11096	7.9
403.11243	0.8
406.14355	1.0
416.12564	0.7
417.13437	14.7
418.13678	1.7
421.16476	1.8
431.14944	1.3
432.15778	13.5
433.15964	1.3
447.18115	63.6
448.18466	10.0
450.16855	1.5
465.19186	34.7
466.19522	5.9
535.23486	4.9
536.23627	1.4
553.24420	3.6
554.24506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45686	1.0
58.20572	1.1
59.01239	3.8
61.98704	14.4
96.95856	1.4
108.02066	12.3
109.02884	1.1
111.31365	1.5
123.04395	11.1
134.03610	5.3
134.54541	1.1
135.04381	1.4
136.01566	100.0
137.01988	2.6
149.02362	2.7
149.06010	6.6
151.03918	94.4
152.04251	3.3
163.03938	10.2
164.04642	2.3
165.05473	1.2
178.06239	8.1
179.07091	2.2
191.07060	3.4
192.07846	2.8
193.08606	4.1
197.06026	3.3
211.04044	2.6
211.07573	5.2
212.08382	1.4
223.07578	4.6
225.05534	1.4
239.07034	3.6
240.07820	4.2
253.05116	2.0
255.10245	3.7
267.06647	6.8
268.07410	29.0
269.07855	2.6
283.09756	69.6
284.10147	7.3
290.39600	1.3
298.12137	26.5
311.25955	1.7
313.14444	13.2
314.14795	1.9
325.06998	1.3
325.10828	1.8
326.11618	2.7
341.13959	16.9
358.08539	1.2
369.07764	1.9
387.08829	4.7
402.10889	6.9
403.11398	1.4
417.13385	13.9
418.13428	1.5
421.16714	1.5
431.15131	2.3
432.15683	12.8
433.15991	1.9
441.34512	1.5
447.18124	66.2
448.18484	11.6
465.19159	38.6
466.19522	7.2
477.08563	1.3
553.24835	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82923	0.8
59.01258	7.2
61.98709	1.5
69.70593	3.3
71.01254	1.8
80.31544	0.7
85.02802	1.0
92.79502	0.8
93.03389	1.0
95.01255	0.9
96.95897	0.9
101.02325	1.5
108.02055	11.6
121.02847	0.8
123.04415	11.0
134.03630	4.7
135.04446	1.5
136.01561	100.0
137.02281	3.8
144.84970	0.9
149.02347	1.8
149.05989	6.6
151.03915	96.7
152.04250	4.7
163.03922	9.7
163.07564	1.1
164.04543	1.0
176.08342	2.7
178.06276	7.7
179.06920	1.3
187.03983	1.5
191.05524	1.4
191.07089	3.1
192.07874	2.9
193.08665	2.8
197.05998	4.3
206.09401	1.0
211.03973	3.4
211.07643	4.5
212.08330	1.9
215.07137	1.4
223.07608	3.2
224.08212	0.9
225.05577	0.9
235.09814	0.7
239.07124	3.3
240.07834	6.2
251.07057	1.8
253.05003	1.0
255.10233	4.1
267.06570	6.6
268.07385	28.2
269.07895	3.8
270.08911	1.0
283.09760	72.1
284.10144	5.8
298.12106	27.8
298.14743	0.8
299.12476	3.0
311.09384	1.1
313.14462	12.1
314.14828	1.6
325.14493	3.3
326.11658	2.8
329.13873	1.2
330.11279	1.4
340.13165	1.0
341.13931	19.3
342.14355	3.5
343.15332	2.0
361.25967	1.8
369.07867	1.4
387.08777	2.3
399.62134	0.7
402.11099	6.6
403.11243	1.1
417.13437	11.8
418.13828	1.9
431.14999	1.3
432.15768	11.6
433.16235	2.2
447.18118	69.0
448.18405	12.5
465.19180	49.2
466.19586	7.5
493.30206	2.6
553.25720	1.1
573.11615	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69798	1.7
57.03313	3.4
58.00461	3.1
59.01250	82.6
61.98701	29.5
69.36581	13.5
71.01253	77.2
72.01588	2.0
72.99181	5.1
73.02827	13.1
74.89395	1.5
75.00725	2.1
83.01281	4.1
85.02810	16.4
87.00750	7.7
88.98672	10.8
89.02319	100.0
95.01243	5.0
98.20585	3.2
99.00782	2.6
100.06825	1.8
101.02325	74.7
102.02644	2.3
107.03377	2.1
111.00745	1.9
113.02329	27.5
117.03351	2.8
119.03398	36.7
119.04232	2.0
123.04401	4.3
124.01581	1.9
125.02337	4.8
125.39798	1.6
131.03378	8.9
137.02328	3.4
139.03888	3.1
143.03398	9.0
145.02892	10.2
146.03215	3.0
149.04367	3.2
151.03833	2.3
153.05476	2.3
161.04465	24.3
166.02252	1.8
167.03394	2.1
179.05534	97.7
180.05867	3.1
221.06638	26.8
271.02655	2.1
301.03659	1.8
331.17661	2.2
361.15909	3.1
402.56488	1.8
463.08496	2.7
493.23441	12.5
505.16342	5.5
553.22504	13.0
553.32129	6.3
554.22827	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	553.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73570	2.9
58.95821	2.8
59.01254	83.8
61.98710	5.1
71.01260	62.8
71.54262	4.8
73.02819	9.0
83.01244	3.7
85.02824	9.5
87.00748	9.2
88.98664	6.6
89.02325	100.0
95.01244	3.1
96.77162	3.1
100.38607	3.1
101.02330	63.4
106.04006	9.5
113.02337	24.9
119.03395	31.5
125.02341	4.2
131.03387	10.3
143.03400	7.1
153.80133	3.3
161.04504	18.7
161.05658	2.9
173.06367	3.1
179.05545	80.1
180.05962	3.4
221.06635	28.2
222.06882	4.2
271.02347	4.9
272.82990	2.9
359.09705	3.3
447.09283	4.1
463.08423	5.2
553.23212	3.8
553.31750	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	554.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46395	0.1
59.01244	0.9
61.98704	100.0
62.98416	0.2
64.16146	0.1
65.58538	0.1
69.48030	0.7
71.01266	0.3
72.99191	0.1
73.02823	0.1
73.29124	0.1
75.00727	0.1
85.02823	0.1
88.98689	0.5
89.02348	0.3
93.03371	0.1
96.95840	0.1
101.02353	0.2
109.02846	0.2
113.02364	0.1
121.02870	0.2
123.04430	1.4
125.02316	0.1
133.02931	0.1
134.03685	0.2
145.02907	0.2
149.02385	0.2
150.03180	0.2
151.00293	0.1
151.07501	0.1
153.05495	0.7
160.01633	0.3
161.02423	0.1
163.03966	0.1
164.03484	0.3
165.05568	0.4
167.03424	0.2
175.00208	0.1
175.03964	0.5
181.05029	0.1
190.02667	0.3
193.04974	0.1
205.05023	0.4
206.05333	0.2
225.07713	0.3
227.12834	0.2
265.54257	0.1
308.73868	0.1
323.76184	0.1
337.09201	0.6
345.13571	0.2
491.15817	0.2
553.23273	0.1
554.22766	0.5
555.24841	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37444	0.3
59.01249	4.2
61.70098	0.3
61.98704	100.0
69.13221	0.4
69.87156	1.6
71.01250	1.6
72.99187	0.5
75.00742	0.8
78.95776	0.4
84.07097	0.3
85.02834	0.6
88.98704	0.8
89.02330	1.2
94.13383	0.3
96.95904	2.8
96.96867	0.7
101.02344	0.5
117.03343	0.6
123.04436	0.7
125.02382	0.4
137.02399	0.5
139.03922	0.4
145.02853	0.7
146.03284	0.4
151.03905	0.5
153.05499	0.7
161.04529	0.3
167.07039	0.3
169.04976	0.9
170.32617	0.3
175.04018	0.4
179.03383	0.4
179.05620	0.5
181.08664	0.3
193.04945	0.4
198.09760	0.3
209.08153	0.6
210.91925	0.4
269.84210	0.4
333.20987	0.5
334.93152	0.4
343.11865	0.6
495.20514	0.4
525.21521	1.1
554.25067	0.6
555.21338	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.0
61.98698	1.6
68.30955	0.5
70.02917	1.5
70.03323	1.3
78.95792	4.8
95.58904	0.6
96.95873	0.6
98.59253	0.5
121.27573	0.6
152.99521	0.6
168.04211	1.3
224.06834	1.1
242.07878	2.6
279.23291	100.0
280.23633	11.9
460.02756	0.6
504.30988	30.9
505.31348	5.2
554.27057	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44498	0.8
53.03291	0.8
59.01247	2.5
61.98687	4.2
72.99181	0.9
76.82787	1.0
78.95776	25.3
79.95595	1.6
80.96394	2.7
85.41227	1.0
96.95862	1.1
126.80946	0.8
134.40224	0.8
152.99487	2.7
168.04189	3.3
224.06911	9.1
242.07957	2.2
277.35974	1.1
279.23285	100.0
280.23627	11.5
313.36990	1.1
385.32111	1.1
504.30978	69.7
505.31241	11.8
554.27307	5.9
555.27289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22485	0.2
52.00432	0.2
52.48559	0.2
59.01253	22.5
61.98687	0.3
67.73654	0.2
71.50091	0.3
74.08554	0.2
78.95776	18.1
80.96397	0.2
96.95892	0.3
96.96839	0.4
122.98426	0.6
152.99492	2.6
168.04210	2.8
194.05917	0.3
224.06885	7.5
225.07101	0.3
237.22031	0.2
242.07957	1.8
255.23271	100.0
256.23611	10.1
287.47043	0.2
338.96188	0.2
391.22751	0.2
467.89072	0.2
480.30951	60.6
481.31274	9.3
550.65460	0.2
554.27057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.1
61.98701	3.6
71.31237	1.3
71.31656	0.6
81.05084	0.7
89.02365	1.0
93.03336	3.1
95.06332	0.6
105.03337	1.1
108.02070	2.2
109.02850	9.7
117.03350	1.6
121.02842	5.0
122.03636	13.3
123.04429	7.2
124.01621	1.0
125.02374	0.7
129.88232	0.7
132.02100	0.8
133.02887	6.1
134.03651	1.1
135.04469	3.0
136.01563	1.5
137.02353	1.9
145.02850	5.4
147.04494	1.2
149.02364	25.2
149.03560	1.3
150.03151	100.0
151.03940	16.9
152.04312	1.1
158.03659	0.8
159.04355	3.7
163.03995	0.7
164.04712	4.7
165.05507	87.4
166.05856	5.4
173.06056	2.2
180.04185	5.8
181.05002	15.4
181.22058	0.6
182.05330	0.8
188.04759	0.7
189.05495	2.7
190.06148	0.8
191.07089	1.0
195.06577	54.4
196.06938	3.0
202.88097	0.7
203.07089	2.2
219.06610	0.7
240.04332	0.8
241.05052	5.1
241.64052	0.7
255.06610	3.1
265.08777	0.9
267.06558	1.8
269.08191	1.7
281.08109	1.0
295.09689	0.8
296.10391	0.7
297.07562	3.2
298.08368	0.9
299.09155	4.1
300.09628	1.1
307.09756	0.7
311.09195	1.2
313.10773	7.9
314.11584	0.8
327.12216	0.9
329.10287	2.5
343.11987	1.5
344.12674	12.4
345.13193	3.2
358.14603	0.9
359.10516	1.6
359.15027	30.2
360.15131	3.8
401.16040	0.9
422.19357	0.9
423.18903	0.9
431.14661	0.9
443.14783	1.8
447.14395	2.3
461.16095	4.5
462.16452	0.9
463.17859	0.7
477.15533	2.5
492.17535	1.5
507.20248	60.5
508.20633	12.9
555.22339	9.8
556.22479	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	555.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	5.0
60.99159	0.8
61.98703	10.9
71.01255	1.8
71.41594	1.0
72.99177	2.3
73.02812	1.0
75.00750	2.3
81.52769	0.5
83.98306	0.5
85.02824	1.2
87.00771	0.9
88.98679	2.9
89.02338	2.7
91.00256	1.3
93.03339	5.3
95.01266	1.5
95.04905	1.6
99.00784	0.6
101.02325	1.3
107.98499	0.5
108.02036	1.3
109.02847	1.7
113.02331	1.0
119.01289	2.3
119.04888	3.1
121.02842	13.2
121.03673	0.9
122.03642	13.4
123.00774	0.7
123.04472	3.7
124.01549	1.4
125.02350	1.5
132.02104	0.6
133.02858	2.9
134.03627	1.4
135.04391	2.2
136.01579	2.0
137.02333	1.4
139.03918	1.2
145.02885	1.7
147.00746	1.1
147.04446	2.0
148.01556	0.9
149.02351	73.4
150.03140	90.7
151.03499	4.2
152.01161	0.6
153.05463	1.0
159.04526	0.8
160.01685	0.5
160.05199	1.6
161.02367	0.8
161.05962	1.4
162.03177	1.1
163.03954	5.7
164.04703	18.1
165.05489	90.7
166.05870	4.5
167.03499	0.8
175.00301	7.6
175.03978	1.7
175.07561	1.6
176.00867	0.5
176.04794	1.0
177.05502	2.1
178.06300	0.9
179.05699	0.6
179.06998	2.7
180.04199	5.3
180.07776	0.6
181.04933	1.3
181.08531	0.7
183.10155	1.1
190.02646	23.2
191.03102	2.2
195.06561	54.2
196.06947	3.1
205.05020	21.3
206.05467	2.3
207.06516	1.2
217.05089	1.1
220.07286	0.6
222.08907	0.8
223.06061	6.0
224.06746	0.8
226.08388	0.7
237.09521	0.6
240.04193	0.6
241.08676	1.4
255.09999	0.7
265.07031	1.2
267.06705	1.0
267.10205	1.5
268.11069	1.1
269.08246	5.1
269.11816	3.3
281.08112	1.0
283.09766	3.1
287.14923	0.7
296.10529	3.0
297.11328	12.1
297.14545	1.0
298.08777	0.8
298.11990	2.3
299.09387	3.8
299.12497	0.9
300.09891	3.4
310.08484	0.7
311.09256	4.2
311.12927	2.8
312.10040	1.2
313.10767	2.3
314.11600	5.5
315.12384	5.7
325.10876	2.4
326.11523	3.6
327.12335	2.6
328.12976	1.5
329.10043	1.1
329.13943	19.7
330.10922	0.6
330.14166	2.6
333.20862	0.7
341.13934	8.2
342.14230	0.8
345.08444	0.6
371.15158	1.4
373.13126	1.3
391.83640	0.5
417.13538	1.0
431.15100	4.5
432.15741	1.4
433.16623	4.0
434.16806	0.8
461.16077	1.9
462.16992	3.5
463.17569	1.5
477.19199	23.8
478.19421	4.1
479.20657	0.7
489.19489	2.8
492.17612	2.7
507.20233	100.0
508.20544	19.7
525.21460	2.3
537.21118	1.0
555.24414	30.4
556.24750	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	555.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	3.4
61.98706	7.4
69.43171	0.3
69.43479	3.2
70.78108	0.5
71.01265	1.6
73.02853	0.4
75.00755	0.6
85.02835	0.6
87.00764	0.6
88.98666	0.7
89.02335	1.1
93.03342	3.8
95.01263	0.7
98.19834	0.8
101.02346	0.8
105.03362	0.6
108.02085	1.5
109.02838	0.9
110.65325	0.4
112.23201	0.5
113.02332	0.5
119.04919	0.4
121.02845	7.7
122.03632	13.2
123.04462	2.0
125.02372	0.6
132.02113	0.4
133.02844	2.1
134.03609	0.6
135.04420	2.1
136.01547	1.7
137.02315	1.3
137.09613	0.4
139.00247	0.7
139.03976	0.4
140.96970	0.4
145.02887	2.0
147.04398	1.1
149.02351	23.5
150.03133	94.3
151.03474	4.4
153.05516	0.7
159.04466	0.9
160.01466	0.5
160.05223	1.2
161.02316	0.9
161.04520	0.4
161.05945	0.5
163.03928	3.6
164.04684	6.9
165.05486	100.0
166.05850	5.3
167.03459	0.5
175.00230	0.6
175.03935	0.6
175.07539	0.8
178.06276	0.4
179.07042	0.8
180.04222	6.0
181.08641	1.2
183.10197	1.1
190.02687	1.4
192.04250	0.9
195.06563	65.4
196.06902	3.9
205.05064	0.9
206.05489	0.5
207.06606	2.4
223.06026	0.6
227.07014	0.5
237.05426	0.6
237.07559	1.1
239.06985	0.5
240.04283	1.0
254.60625	0.4
255.10254	0.5
267.06488	0.6
269.08200	3.9
269.11261	0.8
271.09576	0.5
281.08066	0.5
283.06647	0.6
283.09726	2.8
295.06097	1.4
296.10297	0.6
297.11221	2.2
298.08517	1.0
298.11609	0.8
299.09296	3.9
300.09708	0.6
310.08508	1.2
311.09265	4.3
312.09521	0.6
313.10773	1.5
314.11594	5.5
315.12183	1.2
325.10721	2.4
326.11606	3.3
327.11932	0.6
329.13950	17.8
330.14575	2.1
341.13916	10.2
342.14294	0.8
343.11932	1.6
345.13284	0.6
373.12866	1.8
431.14856	1.3
462.16885	1.0
477.19257	4.5
478.19321	0.8
489.19086	0.7
507.20221	17.3
508.20590	3.1
525.20929	0.9
537.20947	1.2
555.22467	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	555.2809
Annotation	Tricalysioside I
Peak:m/z	Relative Intensity
59.01251	100.0
60.01582	1.4
60.51905	0.2
61.31712	0.3
61.66961	0.3
61.98708	1.9
64.46031	0.3
65.44985	0.3
68.18386	0.3
69.03320	0.3
69.50108	0.3
71.01254	4.2
73.02820	3.9
83.01274	1.0
85.02846	0.4
89.02299	1.4
101.02327	4.4
113.02348	1.2
119.03387	0.6
125.02337	0.5
130.68639	0.3
131.03391	0.5
143.03394	0.3
149.04483	0.4
157.09859	0.3
161.04500	1.2
273.18582	0.5
354.31152	0.3
382.82504	0.3
391.79510	0.3
406.18484	0.3
435.23779	0.3
453.25104	1.2
495.25995	4.3
496.26376	0.8
555.31030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2845
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01252	0.7
63.96112	1.3
69.03329	0.4
70.55519	0.8
70.55895	0.7
71.01255	7.1
73.02805	2.2
74.48918	0.3
78.98468	6.6
79.95607	10.8
80.96392	73.3
81.03326	0.7
85.02821	3.9
87.00757	2.7
94.97965	16.5
96.95884	1.0
97.02808	1.8
97.34006	0.4
98.20364	0.5
99.00780	0.7
99.04361	0.3
101.02326	2.8
106.97961	3.0
122.97466	2.9
125.02342	3.6
127.03886	0.7
128.71809	0.4
134.97476	4.6
136.99034	1.7
148.99059	5.8
152.97423	0.5
152.98561	6.1
164.98547	13.3
165.98988	0.3
167.00087	0.5
182.54623	0.3
182.99695	0.4
188.98573	0.4
206.99652	2.9
225.00705	16.4
226.01086	0.8
255.23288	2.6
289.53931	0.4
299.04532	3.3
317.05331	0.5
555.28430	100.0
556.28705	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	556.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61386	0.6
54.26702	0.5
54.86391	0.5
58.79436	0.5
59.01252	6.3
61.98705	100.0
70.45718	1.6
71.01270	1.4
85.02827	0.7
99.80616	0.5
101.02322	1.2
113.02367	0.8
125.05227	0.5
133.49512	0.5
137.58553	0.6
150.03189	1.3
150.81702	0.5
288.02750	0.6
330.03699	0.6
354.79898	0.5
496.28223	0.6
557.29791	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28977	0.8
59.01244	3.5
61.98704	37.1
69.73579	1.5
69.73988	3.1
71.01254	2.8
85.02815	1.1
89.02328	1.6
93.03341	5.5
98.19891	1.9
101.02312	1.7
101.05891	1.0
108.02080	1.9
109.02834	6.5
119.04935	1.6
121.02847	24.6
121.03680	1.8
122.03644	17.0
123.00813	0.9
123.04448	4.9
124.01551	2.1
125.02364	1.0
129.03284	1.0
132.02075	3.1
133.02855	14.4
134.03632	10.5
135.04442	2.2
136.01569	2.0
137.02396	4.8
137.05978	1.0
138.03156	1.2
145.02870	9.3
146.03621	3.2
147.04439	13.9
149.02344	32.9
149.05983	13.8
150.03139	73.3
151.03659	3.3
151.07574	0.9
153.01822	1.1
154.02620	2.8
160.05171	1.2
161.02357	3.4
161.04649	0.9
161.06006	5.1
162.03152	3.7
163.03925	2.7
164.04701	8.2
165.01768	1.9
165.05484	82.6
166.05829	4.4
175.07686	1.1
177.05527	4.4
178.06104	0.9
179.03395	1.2
179.07057	13.0
180.04140	4.2
191.07034	1.2
195.06570	20.9
223.09824	1.1
253.17586	1.0
269.04483	1.0
283.09808	1.9
285.04037	1.0
297.11392	1.2
299.12683	1.2
313.10797	1.6
315.12335	2.5
316.12799	0.8
324.97687	0.9
329.13864	4.8
341.06366	1.2
346.14203	6.5
347.14929	11.4
360.15933	1.5
361.16565	62.8
362.16983	6.3
415.17535	8.5
416.18268	1.2
463.17465	1.6
495.12262	1.2
509.21808	100.0
510.22070	20.4
521.21851	7.1
522.22394	2.5
539.22791	6.5
544.77850	0.9
557.23840	7.5
558.23260	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	557.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78793	0.4
55.37056	0.4
57.03314	0.5
59.01253	100.0
60.01590	1.1
60.49311	0.3
61.98698	2.4
71.01263	3.8
73.02836	3.3
78.88714	0.3
83.01273	1.1
85.02827	0.8
89.02348	0.8
96.81245	0.4
96.95910	0.4
98.20660	0.7
101.02322	3.9
112.20887	0.4
113.02357	1.2
119.03385	0.7
137.02319	0.6
161.04469	0.7
161.84880	0.4
169.33852	0.4
207.89586	0.4
213.01913	0.9
214.02356	0.4
217.67207	0.4
228.04288	1.1
243.06631	0.9
304.06900	0.4
345.13184	1.9
408.51102	0.4
453.41681	0.5
455.26566	0.9
497.27560	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	557.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42405	0.5
59.01255	100.0
60.01595	0.9
61.98708	3.0
70.67481	1.0
71.01265	1.7
83.72906	0.5
85.02858	0.8
94.15484	0.5
96.95914	1.1
101.02328	1.0
113.25557	0.5
209.11882	2.0
223.73038	0.5
273.17102	1.3
293.21338	0.5
303.63376	0.6
345.13226	0.6
372.03403	0.5
455.26624	2.3
456.26685	0.6
497.28131	1.5
505.58438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78230	0.1
56.13756	0.1
59.01250	0.5
61.98704	100.0
62.98415	0.2
67.01117	0.1
71.25423	0.2
78.95767	0.8
96.95881	0.3
136.43744	0.1
152.99524	0.2
237.86668	0.1
255.23235	1.8
256.23627	0.9
257.23911	0.6
258.24432	0.3
287.22388	0.4
292.21909	0.1
309.58096	0.1
358.82788	0.1
480.31015	0.9
481.31427	0.4
482.31775	0.4
483.31711	0.7
557.32294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.6
58.88092	0.8
59.01019	0.7
59.01253	7.5
61.98690	5.3
65.80501	0.8
70.11175	3.4
71.01247	2.8
73.02806	1.0
75.05083	0.8
77.75853	0.8
78.95759	0.8
83.04892	6.5
85.02820	3.0
89.02304	2.1
96.95914	1.9
97.06454	1.3
101.02340	1.1
101.05961	2.3
109.02838	1.7
111.04421	1.4
119.04907	1.5
121.02820	2.2
122.03625	3.2
125.02351	2.1
125.09646	1.0
129.37053	0.8
134.03633	3.3
135.04404	2.4
136.05174	8.2
137.02356	7.6
141.09111	2.4
147.04356	0.9
148.01552	1.1
148.05188	6.6
149.02356	1.9
149.05989	14.3
150.03162	2.3
151.03888	2.3
151.07559	1.3
157.22858	0.7
159.04440	1.5
161.02348	1.7
162.03140	15.1
163.03865	3.1
163.07541	3.7
164.04689	1.1
165.09070	1.5
172.05267	1.0
173.02333	1.3
174.03247	1.9
174.06816	2.0
175.03923	9.7
176.01024	4.2
176.04396	0.9
177.05493	27.4
178.05762	1.3
179.07034	2.3
185.05875	0.8
187.03935	2.0
187.09630	1.9
188.04688	1.5
189.05479	1.7
189.09183	1.1
190.06244	2.9
191.03479	5.1
192.07832	2.5
200.04764	1.9
200.08290	2.4
201.09123	2.0
202.09908	11.9
203.07054	1.0
211.13272	1.1
212.04784	1.0
213.05559	4.3
215.07101	1.0
215.10706	4.7
217.05020	6.4
217.12239	4.4
218.05809	11.8
218.09341	4.3
219.06465	1.1
221.04457	1.3
227.07043	2.7
229.08594	1.1
231.06624	2.4
233.08206	6.7
233.11745	2.5
245.08058	1.2
271.09830	0.8
283.98062	0.9
288.13696	5.0
289.10858	1.0
303.16031	6.8
304.16382	1.0
306.14777	2.8
321.17050	27.7
322.17371	2.3
332.12570	3.9
347.14990	100.0
348.15341	14.1
355.25037	1.0
365.15982	4.5
419.07700	3.8
499.28912	3.7
541.18793	1.8
559.27307	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	559.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.1
59.01234	3.0
61.98693	2.6
62.59439	0.8
63.92016	0.7
68.41069	0.8
69.43691	5.6
71.01262	1.4
71.32524	0.9
83.01232	0.9
83.04897	6.2
85.02808	1.7
96.95871	2.1
99.67169	0.8
101.05972	1.7
109.02810	1.1
111.04414	1.2
116.44987	0.8
117.03337	1.8
119.04903	2.3
119.30659	0.8
121.02827	2.0
122.03638	2.3
123.04420	0.8
132.02124	1.0
134.03618	2.4
135.04402	2.6
135.11560	0.8
136.01553	0.8
136.05206	8.4
137.02362	5.4
137.05971	1.3
138.03160	1.0
141.09087	2.7
145.02866	3.9
148.01527	1.1
148.05215	5.8
149.02393	1.2
149.06001	15.5
151.00182	1.5
151.03928	1.5
151.07529	1.9
159.04488	1.7
161.02336	1.6
162.03134	14.5
163.03850	1.6
163.07559	3.7
165.09053	1.4
169.08546	1.1
172.05266	0.8
173.02390	1.1
174.03207	1.8
174.06749	1.4
174.17159	0.8
175.03932	12.1
176.01080	1.6
177.01950	1.0
177.05487	27.6
178.05840	1.1
179.07072	2.5
183.04405	1.1
185.02342	1.3
187.03966	1.2
189.05476	2.0
189.09174	1.2
190.06252	2.2
191.03465	2.2
192.07851	2.2
199.03995	1.3
200.04736	2.3
201.09093	1.0
202.09932	12.6
203.10431	1.5
213.05534	3.3
215.07181	1.2
217.05028	6.9
217.12346	4.5
218.05775	12.2
220.63052	0.9
221.04517	3.9
227.03467	6.2
227.07030	1.3
229.04961	1.1
229.08720	1.0
231.06540	2.3
233.08157	8.0
245.08124	1.1
255.03009	15.2
256.03452	2.3
270.03537	0.9
283.02545	6.3
284.03314	15.3
285.04065	8.2
288.13589	6.1
289.10608	1.0
303.16052	6.7
306.14740	3.3
314.11404	1.0
321.17093	23.4
322.17505	2.1
329.13632	1.4
332.12744	4.0
347.15005	100.0
348.15347	13.5
365.15982	6.4
395.07794	1.8
413.08823	4.3
559.12512	6.7
560.12854	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	560.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08702	0.9
53.16508	1.0
53.96381	1.0
61.98705	100.0
70.17017	2.3
70.17409	1.9
73.97942	1.1
96.95884	3.5
98.19830	1.1
109.64050	1.1
113.57973	1.0
118.61266	0.9
122.08277	1.2
123.12172	0.9
131.49503	0.9
151.03853	1.1
173.27426	1.0
290.48920	1.0
587.00995	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83212	0.7
56.40979	0.8
59.01240	1.0
61.98705	100.0
70.17103	3.0
96.95898	0.8
134.21930	0.8
160.90515	0.9
471.02618	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1403
Annotation	3,5,7,4'-Tetrahydroxyflavan-(4-O-4)-3,5,7,4'-tetrahydroxyflavan
Peak:m/z	Relative Intensity
51.60025	0.9
53.83622	1.1
57.03333	6.6
57.35235	0.9
57.78762	1.0
58.00456	1.5
59.01248	23.6
59.38390	0.9
61.98700	11.1
65.00190	1.4
71.01247	16.9
72.99199	1.6
73.02830	3.5
81.03348	3.9
83.01259	7.3
85.02831	6.1
87.00774	2.6
89.02322	17.8
93.03336	4.1
95.04929	2.6
96.95894	19.2
96.96836	1.3
97.02834	4.2
98.02352	2.3
99.00774	2.6
99.04450	1.2
101.02324	8.9
107.01253	1.8
107.04926	1.2
107.38492	0.9
108.02082	1.4
109.02839	20.0
111.00778	2.3
111.04430	1.9
113.02322	3.8
116.92744	2.4
119.03389	1.5
119.04916	3.5
121.02851	8.4
123.00813	1.5
123.04406	27.1
124.01647	1.0
124.04716	1.1
125.02338	40.7
127.07614	1.3
130.88913	1.0
131.03384	8.3
133.02843	3.4
135.04417	3.5
137.02361	21.3
137.03424	1.2
138.03023	1.1
139.03911	3.1
143.03360	1.1
145.02892	1.6
146.03520	1.3
147.04306	1.4
149.02417	5.2
149.04443	14.3
150.03072	1.6
151.00233	4.9
151.03906	7.8
153.01811	3.6
159.04427	3.1
161.02335	3.1
161.04755	0.9
161.05986	5.1
163.00345	1.9
163.03905	3.4
164.01082	11.2
165.01868	4.8
165.05415	1.2
167.03426	39.9
168.03824	1.9
173.04538	1.0
175.03926	4.6
175.07581	2.2
177.01820	5.5
178.99892	1.6
179.03394	4.5
185.06046	2.1
187.03931	5.3
188.04756	2.4
191.05600	5.9
193.04898	1.2
202.06329	1.9
203.07069	12.3
205.01361	2.4
205.04990	6.8
221.08228	2.3
223.13368	2.8
227.07106	1.9
228.04100	1.8
229.05009	1.5
245.08179	12.8
255.02977	2.5
267.12326	3.1
271.02307	1.3
271.02884	1.4
271.06052	13.3
272.06299	1.3
273.07703	5.2
284.50284	1.1
289.07178	100.0
290.07471	7.6
301.03506	1.2
315.10950	1.3
328.05984	1.7
329.06625	2.7
369.15540	2.5
398.46738	1.1
407.07712	9.1
408.07941	1.5
415.11945	1.2
425.08780	2.4
429.17517	2.1
435.10614	7.3
463.08789	2.8
479.65436	1.0
492.55093	1.1
561.13977	12.2
561.22070	7.4
561.29114	2.5
562.14148	1.8
562.22076	2.2
584.60278	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33271	1.7
57.03332	9.1
59.01249	2.8
59.98630	1.6
60.01458	1.6
61.98715	3.8
71.01265	4.2
71.54181	3.0
72.07452	1.7
72.99178	2.4
73.02839	2.5
75.00722	2.0
76.63299	1.5
81.03367	2.4
82.02286	1.6
83.01252	6.9
85.02821	3.1
87.00762	3.3
89.02316	3.0
93.03325	4.7
95.01227	2.1
95.04895	3.7
96.95872	3.1
97.02834	7.3
101.02315	2.1
109.02836	24.7
111.00764	4.8
118.97723	1.6
121.02846	5.8
122.03638	2.0
123.04404	22.8
124.01440	1.4
125.02338	78.4
126.02666	3.3
126.79210	1.7
133.02850	5.7
135.02914	1.8
135.04399	3.3
136.01529	1.5
137.02345	27.4
139.03889	4.3
145.02805	2.6
147.04416	5.3
147.23869	1.8
149.02336	6.1
150.03004	1.7
151.03908	10.2
159.04457	3.2
160.05159	2.2
161.02319	5.9
161.05984	5.2
162.03146	2.4
163.00250	4.4
163.03905	2.4
164.01062	15.7
165.01833	8.5
165.05504	9.5
167.03423	2.6
175.03944	5.1
175.07446	2.1
177.01865	10.5
179.03415	7.6
185.06099	2.6
187.03937	4.8
187.07498	2.2
188.04643	3.2
203.07089	10.7
205.01421	3.8
205.05083	8.8
211.04047	2.0
217.05122	2.0
227.07057	1.8
229.04947	3.9
229.08649	2.4
245.08173	13.2
255.02834	2.7
271.06125	15.3
273.05014	1.8
273.07709	10.1
283.06113	2.3
289.07178	100.0
290.07501	9.9
328.05914	4.1
329.06656	5.7
381.09766	2.1
407.07745	22.0
435.10867	12.1
436.11362	2.0
501.23502	2.3
543.13269	2.3
561.14001	8.6
562.13745	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	5.4
58.37073	0.5
59.01242	1.3
61.98701	1.0
69.03316	1.3
69.41268	3.9
71.01243	1.0
74.62959	0.5
81.03326	2.0
83.01264	4.7
85.02815	0.8
89.02315	0.9
93.03310	3.3
95.01252	1.4
95.04906	3.2
97.02827	7.0
107.04913	1.7
108.02028	0.7
109.02839	21.5
110.03172	0.8
111.00769	1.8
115.00259	0.7
120.02055	0.5
121.02831	4.1
122.03642	1.0
123.04415	17.0
124.01546	0.9
124.04778	0.8
125.02339	44.7
126.02668	1.8
133.02814	3.7
135.02896	0.8
135.04428	3.5
137.02342	20.4
138.03000	0.8
139.03944	3.7
145.02841	1.1
146.03630	1.8
149.02342	6.7
150.03152	0.6
151.02806	1.1
151.03911	11.0
159.04437	3.2
160.05209	1.2
161.02353	4.7
161.05975	4.9
162.03139	2.1
163.00285	3.3
163.03854	2.5
164.01060	16.2
165.01854	7.3
165.05492	0.8
166.02567	1.8
167.03377	2.1
173.04396	0.7
173.06009	0.7
174.03113	0.7
175.03941	5.2
175.07578	1.6
176.01109	1.5
177.01834	7.6
177.05415	0.8
178.02483	0.5
179.03412	7.1
185.05997	2.3
187.03928	7.1
187.07510	0.9
188.04648	3.1
189.05438	1.0
199.07628	0.6
201.05551	1.1
202.06276	2.5
203.03464	0.6
203.07069	13.6
204.07426	0.9
205.01401	6.0
205.05006	8.9
205.08800	0.6
212.04720	0.6
217.05077	0.9
221.08218	3.3
221.10027	0.6
225.22279	0.6
227.03429	0.9
227.07063	2.5
228.04251	0.9
229.05000	1.3
229.08612	0.6
230.05841	0.8
231.02916	1.2
243.06477	0.7
245.08151	16.9
246.08414	1.8
247.06113	1.2
253.04953	1.1
255.03040	1.2
255.06732	0.6
256.03683	1.2
257.04236	0.9
269.04572	0.9
269.08316	0.7
271.06091	11.7
272.06418	1.4
273.07690	9.0
281.04553	1.0
283.06076	1.0
285.03589	0.6
285.07419	0.7
289.07181	100.0
290.07547	8.9
328.05899	2.2
329.06522	4.5
339.08856	1.5
381.09525	0.8
407.07690	11.8
408.08139	1.3
425.08780	1.8
435.10800	12.5
436.11334	1.6
543.12799	1.6
561.14087	5.0
562.14453	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	561.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39973	0.6
57.03327	5.0
61.74701	0.5
69.03310	0.6
69.84192	2.6
81.03335	2.3
83.01266	3.9
93.03362	3.1
95.01278	1.0
95.04920	3.0
97.02827	7.5
100.97256	0.5
107.04893	0.6
108.02053	1.3
109.02842	20.5
110.03162	0.9
119.04895	1.0
121.02840	5.0
122.03582	0.9
122.45467	0.5
123.04410	17.3
124.01553	0.9
125.02344	34.4
126.02692	1.3
126.38379	0.5
131.04945	0.7
133.02866	2.9
133.06485	0.7
134.03670	0.8
135.04398	3.3
137.02351	19.4
138.02766	0.6
139.03931	4.7
145.02824	0.9
146.03725	1.0
147.04477	1.3
149.02364	6.6
149.74438	0.5
150.03102	1.1
151.03918	8.4
152.04282	0.9
158.46275	0.5
159.04411	2.6
160.05174	1.3
161.02371	3.8
161.05995	4.9
162.03113	1.3
163.00310	2.4
163.03880	2.0
164.01079	14.3
165.01834	7.3
166.02515	0.6
166.38618	0.5
167.03426	1.9
173.06046	0.8
175.03917	4.5
175.07518	1.5
177.01884	5.2
177.05507	0.7
179.03436	6.5
184.05246	0.9
185.06046	1.8
186.06726	0.6
187.03957	5.2
188.04697	4.1
189.05603	0.9
199.07494	1.0
201.05603	1.3
202.06252	2.2
203.03349	1.0
203.07077	13.3
204.07387	1.0
205.01402	5.3
205.05022	9.0
212.04749	0.7
221.08224	2.7
227.07094	3.0
228.04189	1.2
229.04895	1.2
230.05827	0.7
231.02863	1.0
241.04988	0.5
243.06433	0.8
245.08160	15.9
246.08568	1.1
247.06157	1.2
255.02977	1.8
255.06783	0.8
256.03616	1.1
269.04620	0.7
271.06116	13.0
272.06522	1.3
272.68021	0.6
273.07684	6.0
277.76315	0.7
281.04514	1.5
285.04141	0.7
289.07187	100.0
290.07504	10.0
328.05862	2.0
329.06799	3.3
330.06888	0.6
339.08780	1.1
381.09680	1.1
407.07764	11.6
408.07986	1.5
409.09229	0.7
425.08817	2.0
435.10782	9.2
436.11200	1.3
525.12146	0.6
543.12958	1.4
561.14313	3.9
562.14709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14544	0.6
57.03325	13.1
60.16177	0.6
67.01765	0.6
69.03335	1.2
69.65874	3.9
71.01251	0.8
81.03332	3.2
83.01258	6.0
89.03796	0.9
93.03345	6.5
95.01263	2.1
95.04898	4.4
97.02836	11.4
107.04945	1.5
108.02051	1.9
109.02840	28.3
117.03354	0.8
119.04932	1.6
120.02039	0.9
121.02844	4.9
122.03696	1.4
123.04424	26.1
124.01614	0.8
124.04730	1.2
125.02347	74.9
126.02670	2.4
131.04944	0.8
133.02870	6.5
133.06456	0.7
134.03540	0.9
135.00377	0.8
135.04425	3.6
137.02359	23.1
137.03456	1.1
138.03107	1.1
139.03935	5.0
143.04898	1.3
145.02867	2.2
146.03662	1.6
147.04448	1.3
149.02356	9.7
150.03023	1.3
151.03937	12.5
156.12074	0.7
157.06488	1.3
159.04442	4.1
160.05220	1.9
161.02373	8.2
161.05983	5.5
162.03027	2.9
163.00293	6.9
163.03946	4.5
163.69196	0.6
164.01076	23.1
165.01872	8.4
166.02647	1.1
167.03439	2.3
173.06021	2.0
174.03172	1.5
175.03941	7.7
175.07558	2.7
176.01089	1.7
177.01862	11.4
177.05463	1.1
178.02400	1.2
179.03444	6.7
184.05266	0.8
185.06010	2.7
186.06705	0.8
187.03957	7.8
187.07574	1.8
188.04752	4.7
189.05412	1.5
191.03378	1.0
191.05431	1.4
199.07570	1.7
201.05470	2.3
202.06238	2.1
203.03477	1.4
203.07059	16.1
203.08890	1.4
205.01367	11.2
205.04994	8.1
205.08701	1.0
206.01854	0.7
211.03949	1.1
212.04617	0.8
213.05481	1.1
215.03473	1.3
217.04956	1.2
217.08591	0.9
219.02904	0.9
221.08136	3.9
227.03453	1.5
227.07069	2.7
228.04253	1.3
229.05002	2.9
229.08691	1.9
230.05801	1.2
231.02974	1.0
243.02934	1.6
243.06375	1.3
245.04449	0.8
245.08170	15.9
246.08543	1.1
247.06097	2.2
248.27873	0.7
253.05058	2.8
255.02979	3.0
255.06534	1.0
256.03696	2.2
257.04364	1.3
267.06656	1.1
269.04547	1.1
271.06137	16.7
272.06561	2.0
273.07712	19.9
274.08197	1.0
281.04648	2.5
283.02744	1.5
283.06180	2.9
285.04129	1.4
285.07507	1.0
289.07190	100.0
290.07571	7.8
297.04001	0.9
303.16922	0.8
312.06403	1.2
328.05771	4.6
329.06650	9.1
339.08807	2.2
373.93073	0.8
381.09875	2.6
391.11667	0.9
407.07715	22.1
408.08051	3.2
409.09396	1.3
410.09940	1.1
417.10123	0.8
425.09082	3.1
435.10867	22.7
436.10986	3.4
543.12933	5.1
544.13104	1.1
561.13763	7.2
562.14178	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56689	0.8
57.03327	13.7
59.01253	1.4
61.98682	1.6
69.03353	1.7
69.44459	4.4
81.03331	3.6
83.01263	6.4
85.02831	0.9
93.02844	0.9
93.03335	5.6
95.01258	1.8
95.04887	3.6
97.02827	9.2
98.20518	1.3
99.04406	1.1
105.03314	1.1
107.04905	1.7
108.02029	1.2
109.02840	29.2
110.03162	1.8
111.00759	1.3
119.04888	1.2
121.02851	4.2
122.03619	2.0
123.04425	21.8
125.02346	76.5
126.02674	1.8
133.02852	7.1
135.02930	1.3
135.04398	4.0
137.02351	25.0
138.03122	1.9
139.03915	6.6
145.02840	1.6
146.03644	2.1
147.04453	1.1
149.02357	8.8
149.05952	1.1
150.03094	1.6
151.03909	13.0
157.06271	0.8
159.04478	4.4
160.05115	1.7
161.02339	7.5
161.05986	7.9
162.03053	2.4
163.00269	5.6
163.03873	3.4
164.01070	23.3
165.01849	7.9
167.03413	3.3
173.05995	1.9
174.03165	1.5
175.03906	6.8
175.07550	2.7
176.04388	1.0
177.01857	11.5
177.05479	1.2
178.02527	2.0
179.03438	6.9
185.05991	4.3
187.03943	7.8
187.07475	1.6
188.04765	4.3
189.05521	2.4
199.07480	1.1
201.05534	1.4
202.06268	2.1
203.03456	1.1
203.07092	14.3
205.01393	11.3
205.05005	10.1
212.04779	0.8
217.04897	0.9
217.08745	1.1
221.08163	3.1
227.03343	1.5
227.07098	2.3
228.04230	2.0
229.05014	2.9
229.08562	2.1
230.05745	1.7
231.06525	1.3
243.02957	1.0
245.08153	19.7
246.08415	1.6
247.06186	1.9
253.04985	1.4
255.02968	3.8
255.06564	1.3
256.03656	2.6
269.08328	1.5
271.06125	16.2
272.06342	1.9
273.07687	16.9
274.08090	1.1
283.06271	1.7
285.04242	1.0
289.07193	100.0
290.07544	9.9
312.06387	1.4
313.07257	1.1
320.74020	0.8
328.06027	5.5
329.06628	8.3
339.08560	2.3
381.09689	2.7
407.07785	22.5
408.07956	3.3
409.09097	1.1
425.08566	2.6
435.10837	21.5
436.10895	4.9
525.11432	1.2
543.12915	4.1
561.13971	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	561.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.3
58.00474	0.5
59.01254	17.5
61.98708	13.7
69.03355	0.5
69.32958	1.1
69.33366	2.2
71.01256	11.7
72.99195	1.1
73.02808	2.1
75.00760	0.7
81.03302	0.4
83.01265	1.2
83.28242	0.3
85.02821	4.0
87.00756	0.7
89.02320	10.4
93.03349	0.9
95.01292	0.8
96.95889	1.0
97.02888	0.6
99.00768	1.0
100.27650	0.3
101.02328	7.5
101.05971	1.6
102.01842	0.5
108.02095	0.6
109.02853	0.9
113.02335	3.7
117.03352	2.5
119.01290	1.3
119.03411	1.7
119.04953	1.4
121.02076	0.4
121.02809	2.2
121.34402	0.4
123.04396	3.3
125.02357	1.8
131.03391	4.1
132.02071	26.3
133.02718	0.8
134.03642	20.1
135.04480	2.4
136.01549	0.5
137.02374	1.2
145.02872	6.6
147.00786	1.2
147.04445	2.3
149.02356	7.5
149.04466	5.5
149.05989	3.4
150.03012	0.6
151.00259	0.8
151.03934	0.9
152.01024	0.6
153.01909	0.5
153.05475	3.5
156.32951	0.4
160.01576	94.2
161.02016	5.1
161.04469	1.0
162.03081	0.5
163.03893	2.8
163.11177	0.4
164.04707	7.0
165.01883	0.6
165.05472	0.9
167.03482	0.5
174.03267	0.8
175.00412	7.9
175.03931	100.0
176.00851	0.5
176.04321	7.1
177.01874	0.8
177.05424	1.1
178.02681	1.8
178.06242	0.4
179.03391	1.3
179.05664	0.6
179.07021	2.2
189.01859	0.5
190.02657	22.5
191.03481	2.6
191.05507	2.1
191.07085	2.9
193.01266	0.8
193.04993	22.6
194.05374	1.3
194.08101	0.6
198.70482	0.4
200.04712	0.4
202.02660	1.4
204.04141	0.4
205.05011	26.2
205.12234	0.5
206.05707	3.4
207.02916	0.8
207.06584	1.1
208.03700	1.8
209.04411	1.0
217.05011	6.9
218.05342	0.5
221.08284	2.3
223.06078	10.1
224.06453	0.8
232.03859	0.5
235.06114	4.8
236.06180	0.4
237.07658	0.8
247.06061	2.2
250.04768	1.3
265.07159	6.9
266.07590	0.5
271.02438	0.5
289.07022	0.7
295.08328	3.9
302.83170	0.4
307.08203	0.6
325.09222	5.6
326.09650	0.6
337.09256	3.3
342.11115	0.7
353.08649	1.6
357.13324	0.8
367.10324	23.5
368.10645	2.4
369.19131	1.5
385.11362	1.3
501.17404	0.9
501.23328	2.8
519.18536	0.8
561.15741	4.7
561.23621	6.7
562.16205	1.0
562.23621	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	561.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78020	0.9
55.01770	1.1
57.03309	1.4
58.00466	3.0
59.01252	100.0
59.02835	0.9
60.01586	1.1
61.98698	8.3
69.03329	4.1
69.28889	9.5
71.01255	43.5
72.99194	3.9
73.02817	17.3
73.20161	1.1
75.00734	1.3
81.03338	4.1
83.01261	4.7
83.04913	1.4
85.02829	17.5
87.00766	3.3
88.98688	2.2
89.02315	24.3
93.03331	2.6
95.01270	3.1
96.95892	8.3
97.02835	7.5
98.02332	1.2
98.19750	1.8
99.00742	2.2
99.04390	1.4
101.02321	33.3
102.02641	1.0
103.03882	20.0
107.01255	1.6
108.02070	2.5
109.02895	1.7
111.00735	1.3
111.04491	1.0
113.02314	5.3
117.03403	1.2
119.03378	11.5
119.04874	1.2
121.02858	2.0
123.00810	1.0
123.04430	3.4
125.02330	21.2
127.03911	1.4
131.03413	5.9
133.02850	3.1
134.03635	23.8
135.04460	5.2
136.01520	1.5
137.02324	5.9
139.03906	2.3
143.03380	2.4
145.02875	6.2
145.04959	3.8
149.02365	2.5
149.04463	5.1
149.05942	6.9
151.00322	1.9
151.03870	2.5
152.01082	2.3
153.01860	1.9
160.01651	1.3
161.02354	2.3
161.04478	3.1
161.09749	1.0
163.03925	22.3
163.06012	17.9
164.04633	2.4
167.03395	7.4
173.04500	3.7
175.00281	5.2
175.03960	1.6
176.01021	1.5
177.01770	2.0
178.02650	14.7
178.06287	14.1
179.06853	1.3
187.11241	1.4
190.02635	12.0
191.03085	1.4
191.05511	7.1
193.04987	42.0
193.08604	10.1
194.05312	2.9
204.04259	7.8
205.05046	10.3
205.06915	1.9
219.06628	5.3
223.06104	2.9
223.13225	1.6
247.08221	5.1
249.07620	1.6
264.97736	1.0
267.12518	1.6
307.10443	12.9
308.10745	1.1
311.07706	9.7
323.00760	1.2
353.08777	2.5
367.10352	15.9
369.19455	5.4
501.23462	1.8
522.87659	1.3
561.15863	10.3
562.16064	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	1.0
58.00467	2.1
59.01254	100.0
60.01592	1.2
61.98704	2.1
66.41341	0.5
69.03322	3.6
71.01257	34.7
72.99181	2.6
73.02824	12.0
81.03327	2.5
83.01276	3.2
83.04916	0.6
85.02829	12.1
87.00782	2.0
88.98721	1.7
89.02323	23.2
95.01304	1.4
96.95909	5.1
96.96834	0.6
97.02831	5.8
99.00734	1.1
99.04430	0.6
101.02328	26.9
102.02699	0.9
103.03894	25.7
107.01231	0.6
109.02838	0.6
113.02380	2.2
115.03898	0.6
115.52653	0.8
119.03391	11.9
122.03626	0.7
125.02346	24.8
126.02693	1.0
127.03932	1.5
131.03458	1.1
133.04964	0.7
135.04428	6.6
138.04269	0.5
143.03441	3.2
145.02927	1.2
145.04968	3.7
149.04457	1.2
161.02374	1.2
163.03969	40.2
163.06076	20.6
164.04262	2.4
164.06383	0.8
176.01123	1.0
177.01607	0.6
178.06281	41.0
179.03447	1.8
179.06627	2.6
184.18321	0.5
191.03583	1.0
192.03778	0.8
193.08646	33.6
194.09059	1.9
205.07182	1.9
215.09384	0.6
229.07195	0.8
247.08223	7.4
249.07753	0.9
286.35477	0.5
289.09665	0.9
307.10364	14.7
308.10959	1.5
484.99036	0.6
561.22211	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72134	0.4
53.16972	0.5
55.01751	1.2
57.03315	1.4
58.00452	1.5
59.01252	41.2
61.98699	4.2
66.89757	0.4
69.03337	0.6
70.40996	1.3
71.01258	26.9
72.99185	2.9
73.02808	3.3
79.09689	0.4
81.03352	0.5
83.01266	1.7
83.04887	1.0
85.02835	7.5
87.00758	1.7
89.02322	27.4
95.01254	1.9
95.04918	0.6
96.95857	0.5
98.19859	0.7
99.00747	1.2
99.04389	0.5
101.02322	19.8
101.05972	1.5
109.02890	0.6
111.00772	0.8
111.04359	0.5
113.02341	11.4
113.03151	0.6
117.03361	1.6
119.03402	12.2
119.04906	0.9
121.02835	0.9
122.03654	0.8
123.04414	73.4
124.04768	2.1
125.02309	1.6
131.03401	1.7
132.02061	2.8
133.02840	1.8
134.03638	10.6
136.01566	0.5
137.02368	1.0
143.03429	1.9
145.02843	2.9
147.04439	1.8
148.05246	0.9
149.04491	1.7
149.05995	3.8
151.00281	0.6
151.03932	0.7
151.07526	0.7
153.05487	100.0
154.05786	5.5
160.01581	13.5
161.02266	0.7
161.04494	2.9
163.03856	1.1
167.03278	0.5
168.50481	0.5
173.06015	1.0
175.03934	12.5
176.04721	5.5
177.01848	1.2
177.05360	0.5
178.02675	2.2
179.05605	2.6
179.06924	0.6
189.05721	0.5
191.05475	1.0
191.07069	7.3
193.05002	16.6
193.08719	0.7
194.05380	0.9
201.12851	1.3
203.10774	0.5
204.11513	1.4
205.04955	0.5
207.06500	2.6
217.05132	0.9
217.82115	0.5
219.13855	3.2
220.03754	1.1
235.06088	22.2
236.06496	1.1
245.11842	0.8
250.34682	0.5
255.02954	0.5
263.12851	7.9
264.13242	0.9
265.07196	10.0
266.07568	1.0
271.02576	0.7
278.42654	0.5
295.08231	13.0
296.08594	1.1
297.09930	1.2
300.02740	0.8
315.10873	5.7
355.10519	2.5
369.19324	1.1
395.68634	0.5
399.23862	1.4
407.17307	1.5
411.13892	0.7
463.08908	0.9
501.23569	1.2
561.15802	1.3
561.29370	33.0
562.29529	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	561.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.6
57.03316	5.5
58.00461	4.9
59.01253	100.0
61.98707	10.6
68.99668	1.1
69.03316	2.7
69.53136	1.1
71.01254	79.7
72.01578	1.5
72.99176	6.4
73.02819	13.1
75.00742	1.6
83.01254	8.8
84.02037	1.4
85.02818	29.8
87.00755	6.0
89.02319	51.8
93.03372	1.4
95.01271	6.2
96.95881	6.6
97.02834	3.0
99.00784	6.3
99.04417	1.2
101.02325	49.2
107.83815	1.0
108.02042	4.8
109.02821	5.1
111.00754	2.7
113.02332	28.7
117.03353	4.6
119.03387	22.7
119.04893	3.3
123.04464	1.5
124.53166	1.1
125.02329	4.4
129.01849	2.7
131.03383	4.5
132.02074	13.8
133.02904	6.4
134.03638	62.7
135.04337	4.1
137.02316	2.5
143.03412	3.9
145.02869	10.5
147.04417	7.8
148.05180	3.6
149.04507	4.1
149.05980	18.4
151.03889	1.5
152.01035	4.3
153.01888	2.0
153.05482	4.6
159.02928	3.6
160.01575	69.0
161.02162	4.4
161.04459	12.1
163.03923	3.2
163.07501	1.4
164.04642	1.6
173.05980	3.2
175.03929	69.6
176.00963	1.1
176.04692	26.5
177.01830	4.6
177.05269	1.8
178.02625	10.1
179.03209	1.5
179.05566	7.6
179.25185	1.1
191.05717	1.6
191.07080	33.0
192.04169	2.7
192.07516	2.9
193.04997	79.3
194.05360	5.0
194.08191	4.0
202.02681	1.4
207.06532	7.5
217.05032	5.0
220.03751	4.0
235.06087	84.7
236.06520	6.3
247.06174	1.6
255.02992	2.7
263.12830	1.4
265.07162	66.3
266.07434	4.1
271.02438	4.1
290.19995	1.3
293.08740	1.7
295.08228	85.6
296.08652	6.6
300.02850	4.3
301.03564	2.8
337.09326	1.9
353.08728	1.9
355.10364	7.9
369.19025	4.3
385.11264	1.6
399.23877	16.0
400.23871	1.9
463.08679	2.9
501.23322	7.6
502.23807	1.5
561.20050	8.4
561.29163	80.3
562.21332	2.1
562.29681	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	561.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	1.4
57.03300	3.2
58.00441	1.6
59.01253	36.1
61.98704	73.0
62.54752	1.1
62.66304	1.2
69.41898	8.3
71.01259	30.4
72.99168	3.6
73.02843	6.1
77.70260	1.0
78.23222	1.0
83.01246	3.1
83.73479	1.1
85.02829	7.3
87.00719	2.4
89.01830	1.8
89.02321	26.4
93.03301	2.6
95.01226	1.5
96.95881	1.2
97.02783	1.2
99.00748	3.5
99.87945	1.4
101.01701	1.3
101.02324	18.5
109.02795	1.3
113.02354	7.7
115.45860	1.3
117.03365	5.6
119.03343	3.6
119.04905	7.2
121.02778	2.3
123.04426	6.5
125.02291	5.0
131.03389	6.6
132.01173	1.7
132.02074	24.5
133.02768	4.7
134.03638	36.1
135.04352	2.0
137.02303	4.0
143.03386	1.3
144.07504	1.4
145.02870	14.6
146.03247	1.7
147.04369	3.4
149.02379	1.3
149.03482	1.6
149.04402	17.1
149.05911	7.1
151.00270	1.3
151.03877	2.5
153.01790	2.0
153.05513	7.8
154.63348	1.3
160.01578	100.0
161.01971	8.3
161.04391	3.7
161.86870	1.2
163.03964	6.5
163.11140	2.2
164.04584	1.9
165.01785	1.3
165.09009	3.2
173.05907	2.1
175.03932	90.6
176.04512	7.8
177.01833	2.7
177.05312	1.8
178.02495	3.8
178.99751	2.2
179.03351	3.2
179.05473	1.3
179.10667	3.8
187.11153	2.8
190.02562	1.9
191.05421	4.0
191.06981	12.7
193.05002	43.6
193.06648	1.5
194.05257	2.1
194.08138	6.5
205.04973	2.1
205.12299	11.4
206.12471	2.1
207.06482	4.9
217.05019	1.6
221.04367	1.6
223.13132	2.1
235.06088	49.4
236.06268	4.3
247.85718	1.2
251.78897	1.1
265.07144	16.5
289.07135	2.5
293.08759	2.2
295.08221	18.5
296.08380	2.5
325.20178	1.9
337.09338	11.4
350.90927	1.3
355.10065	2.1
363.16791	1.7
366.62177	1.2
367.10196	2.7
369.18997	1.5
501.22940	4.1
501.29968	2.4
516.05353	1.2
517.20288	3.4
543.21625	3.4
561.23029	47.8
562.23401	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	561.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.6
58.00465	3.1
59.01250	83.3
61.98705	34.9
61.98972	0.6
61.99037	0.9
69.03369	0.8
69.38859	1.3
69.39265	5.2
71.01254	59.5
72.99168	4.6
73.02822	8.4
83.01252	2.8
84.67880	0.8
85.02824	8.8
87.00757	4.2
89.02317	100.0
90.02648	2.4
95.01256	0.9
96.95896	3.8
97.02870	1.2
99.00774	3.3
101.02326	41.3
109.02834	2.5
111.00730	1.9
113.02322	10.6
119.03380	7.6
123.04411	2.3
125.02334	5.4
131.03397	33.8
135.36473	0.8
137.02357	2.8
142.82228	0.8
143.03391	1.5
149.04463	88.2
150.03079	1.7
150.04799	2.3
153.01862	1.7
161.02367	0.9
161.04510	1.9
165.01921	1.4
167.03439	1.9
185.05916	0.9
191.05536	17.9
203.07060	1.2
245.08351	1.0
251.07843	1.4
271.06235	1.4
281.08844	1.0
289.07175	8.1
293.08643	1.1
311.09848	2.3
323.93405	0.9
464.10471	0.9
511.94006	0.9
561.22162	1.1
571.84296	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
57.03316	2.2
58.00467	4.1
59.01251	78.6
60.01595	0.6
61.21399	0.5
61.98705	11.7
62.07399	0.4
69.85910	0.5
71.01254	59.8
71.54478	0.6
72.01600	0.8
72.99184	3.7
73.02828	5.3
75.00750	0.6
76.93319	0.6
78.95793	0.6
82.30883	0.5
83.01255	3.4
85.02822	9.6
85.03289	0.9
87.00765	3.4
89.02318	100.0
90.02665	1.2
95.01272	0.6
96.95894	9.5
96.96821	0.7
97.02858	0.6
99.00752	4.5
99.04387	0.7
101.02326	42.4
102.02643	1.1
109.02835	2.2
111.00755	2.8
113.02326	9.7
119.03397	7.6
121.02796	0.8
123.00777	0.5
123.04403	1.6
125.02333	7.5
129.01833	2.2
131.03398	57.5
132.03728	2.0
133.01280	0.6
133.04970	1.7
135.04385	0.6
137.02319	4.2
138.02957	0.5
143.03412	1.3
147.04404	0.5
149.04463	87.9
150.03162	0.6
150.04791	2.5
151.03923	0.9
152.01067	0.6
153.01915	0.6
159.04413	0.5
161.02330	1.3
161.04445	0.7
161.05948	0.7
167.03477	0.6
173.04456	1.1
175.03906	1.1
177.01785	0.6
177.58202	0.6
181.04982	0.5
191.05540	36.5
192.05826	1.3
221.06570	2.7
245.08258	0.6
251.07709	2.3
271.06064	1.1
281.08658	1.0
289.07184	1.6
293.08673	1.3
311.09967	3.2
315.61987	0.7
371.84998	0.5
409.09232	0.6
423.10638	1.1
435.10928	0.6
561.13806	2.8
561.22028	0.7
562.14209	1.2
589.58075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04321	1.2
55.01762	3.2
57.03319	6.3
58.00467	4.2
59.01254	100.0
61.98701	9.1
69.26138	11.2
70.04882	1.1
71.01257	83.2
72.01563	1.5
72.99181	6.6
73.02824	14.2
75.00749	3.2
83.01254	9.2
85.02823	23.5
87.00760	3.9
89.02321	61.7
93.03316	1.3
95.01274	8.1
96.95906	4.4
97.02853	1.5
99.00755	6.8
101.02325	56.1
108.02046	1.6
109.02830	1.8
111.00755	3.6
113.02332	32.5
117.03330	2.5
119.03388	27.8
121.42324	1.1
123.04424	3.7
125.02342	2.3
129.01851	3.0
131.03419	5.4
132.02080	9.4
133.02866	4.9
134.03642	38.5
135.04411	1.3
136.01593	1.7
137.02380	3.4
143.03412	4.1
145.02835	7.8
147.04420	4.9
148.05193	2.2
149.04478	4.2
149.05989	9.9
152.25830	1.1
153.05493	5.0
159.02907	2.5
160.01576	43.8
161.01952	2.4
161.04472	14.2
163.07625	1.4
164.04738	1.3
173.05994	1.6
175.03923	46.2
176.04678	16.0
177.01843	3.4
177.05273	1.4
178.02702	6.6
178.99915	1.6
179.05519	8.4
191.07066	17.9
192.04213	1.5
192.07535	1.5
193.04996	54.1
194.05417	2.9
194.08163	7.1
196.09810	1.1
207.06615	4.1
208.57353	1.4
217.05029	3.9
220.03764	2.3
235.06081	58.1
236.06473	4.2
263.13162	1.4
265.07159	41.7
266.07596	2.6
271.02524	2.8
280.05994	1.2
283.06177	3.4
289.07092	1.7
295.08231	63.8
296.08548	6.5
300.02878	6.4
301.03519	3.3
355.10342	6.0
369.19550	2.3
399.23889	17.9
400.24438	2.1
463.09015	3.6
501.23340	7.3
503.90973	1.3
561.29333	95.8
562.29602	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	561.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.2
57.03316	3.2
57.80021	0.7
58.00460	5.3
59.01251	100.0
60.01591	1.3
61.98704	6.3
69.03314	0.9
71.01255	62.4
72.01608	1.0
72.85712	0.7
72.99181	5.9
73.02818	5.1
75.00750	0.9
81.03313	0.9
82.30176	0.7
83.01263	4.9
83.04913	1.7
85.02827	16.4
87.00766	3.5
89.02319	61.0
90.02672	1.1
93.03332	0.7
95.01255	4.2
95.04926	1.3
99.00775	2.1
101.02325	45.5
101.05964	1.5
102.02680	0.9
109.02885	0.9
111.00780	2.6
113.02331	23.4
117.03372	3.7
119.03396	35.1
119.04790	4.4
121.02874	0.9
123.04411	54.8
124.04756	2.2
125.02335	2.7
131.03398	3.8
132.02061	3.0
133.02863	1.3
134.03625	12.0
135.04384	1.4
137.02338	1.7
143.03432	4.6
145.02856	10.2
146.03294	1.1
147.04390	2.0
148.05168	0.8
149.04478	3.0
149.05971	3.4
151.00385	0.9
151.07529	0.8
153.05486	72.2
154.05798	4.0
159.02921	1.0
160.01579	15.5
160.02844	1.3
161.02133	1.4
161.04437	5.1
163.03935	6.2
163.07512	0.9
164.04482	0.9
175.03937	16.7
176.04697	4.6
177.01820	0.9
178.02596	1.6
179.05525	6.2
185.00803	0.9
191.07048	6.9
192.04181	0.9
193.05000	19.3
193.06781	1.0
193.08603	1.1
201.12796	1.3
207.06598	2.8
217.04930	0.9
219.13847	3.6
220.03746	1.4
227.06837	0.7
235.06079	23.3
236.06499	2.3
263.12897	5.6
264.13232	0.8
265.07175	12.4
266.07593	1.1
295.08212	14.7
296.08566	1.4
299.25198	0.8
300.02719	1.6
315.10831	4.0
337.09372	0.9
355.10309	3.9
380.09033	0.8
399.23990	6.5
407.17053	1.6
431.54538	0.7
463.08658	1.4
495.71573	1.0
556.51581	0.8
561.29224	83.4
562.29584	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	561.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33315	0.2
59.01228	0.3
62.48374	0.2
63.02260	0.7
63.15554	0.2
66.27917	0.2
71.01234	0.3
71.54120	0.3
76.10217	0.2
79.36417	0.2
86.44276	0.2
90.86778	0.2
95.04890	0.3
96.02056	0.2
96.95841	0.2
97.02803	0.4
111.00721	0.3
120.50951	0.2
122.71885	0.2
124.01556	57.5
124.83016	0.2
125.01875	1.7
137.02318	0.2
139.03911	100.0
140.04262	3.6
163.03952	0.5
181.05026	0.3
209.11766	0.4
266.48828	0.2
277.21710	1.8
278.22055	0.2
283.08301	0.3
361.07397	0.2
367.26059	0.2
408.16776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.0
57.03325	1.6
57.88779	1.2
58.00463	2.0
59.01254	97.9
61.96331	1.2
61.98708	11.7
69.25899	2.9
69.26299	12.1
71.01258	45.5
72.99171	2.1
73.02829	8.5
75.00791	1.4
76.38054	1.4
83.01263	5.9
85.02821	14.6
87.00758	2.8
89.02319	27.2
95.01259	3.4
96.95898	3.4
98.20494	3.1
99.00755	5.4
101.02334	30.3
113.02312	15.8
119.03390	11.3
123.04394	1.6
124.70434	1.3
125.02337	3.2
131.03358	1.7
137.02353	2.0
143.03413	4.2
149.04460	1.6
159.02802	2.8
161.04454	17.6
179.05530	2.6
339.25366	13.4
357.26392	6.7
413.26694	1.8
501.30688	100.0
502.30914	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	561.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09465	1.9
55.01748	1.9
57.03326	4.2
59.01254	100.0
61.98707	29.0
69.26331	16.6
71.01259	39.9
72.99169	2.4
73.02829	9.7
83.01272	7.2
83.01757	2.2
85.02827	15.8
87.00761	3.0
89.02334	8.6
90.48074	2.0
90.86707	1.9
92.66550	2.0
93.03313	2.2
96.95914	5.0
99.00766	5.9
101.02332	24.2
101.05969	5.1
106.90118	1.8
113.02352	14.8
115.70049	1.9
118.08414	2.0
119.03442	2.6
123.04447	6.0
125.02308	2.4
143.03523	2.5
151.97038	1.9
153.05498	7.6
159.02979	3.7
161.04459	19.1
167.03395	2.6
176.01103	3.0
191.03485	3.5
218.24777	2.1
295.02542	3.0
305.34863	2.2
327.25314	2.5
339.25415	25.6
357.26492	7.4
385.16754	2.4
501.30756	86.3
502.31082	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	563.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.4
57.03310	2.1
58.00475	1.4
59.00946	1.6
59.01252	31.6
61.98705	22.7
67.54709	0.8
69.87286	0.8
70.41415	1.6
71.01254	26.1
72.99184	3.3
73.02824	7.3
74.02344	1.1
75.00773	1.9
81.81458	0.7
83.01266	3.3
83.04885	0.8
84.02039	0.7
85.02831	10.9
87.00749	3.6
88.14158	0.8
89.02320	18.7
91.01778	2.1
93.03332	2.6
95.01258	2.4
99.00220	0.9
99.00803	2.8
99.04375	1.1
101.02328	19.0
107.04897	1.3
109.02866	1.5
111.00778	1.1
113.02331	9.1
116.92773	4.6
117.01775	0.9
117.03392	1.1
119.01262	8.2
119.03416	6.4
119.04949	1.0
121.02848	4.5
123.04413	8.6
125.02348	1.6
129.01834	0.8
131.03418	2.7
132.02074	15.5
133.02882	4.2
134.03633	15.6
135.04396	2.9
137.02348	2.5
139.03923	1.0
143.03313	1.3
145.02863	3.0
147.00786	6.2
147.04451	1.9
148.05212	1.2
149.02345	18.7
149.04456	6.1
149.05923	1.7
150.03070	1.8
151.03909	2.4
152.01103	1.2
153.01904	0.8
153.05489	12.7
159.02975	1.0
160.01576	70.1
161.01961	4.1
161.04474	2.6
162.03169	1.3
163.03903	3.6
164.04712	12.6
165.01848	3.0
165.05501	1.0
173.34351	0.8
175.00305	42.0
175.03928	67.8
176.00713	2.1
176.04286	4.6
177.01836	3.2
177.05554	0.8
179.03366	1.1
179.05643	1.8
179.07068	2.4
180.04037	1.1
189.01962	1.9
190.02643	94.8
191.03052	7.0
191.05565	1.3
193.05000	10.7
194.02150	1.0
196.68799	0.8
203.10645	1.2
205.05014	100.0
206.05344	5.8
207.06573	0.9
208.03714	1.9
209.04472	2.1
220.91743	0.8
223.06076	27.9
224.06483	1.5
235.06032	2.6
264.67102	0.9
265.07169	2.0
269.04565	1.4
295.08289	1.3
315.10870	1.4
371.20853	1.2
401.25568	2.4
407.46280	0.9
476.27777	0.9
503.24689	2.6
503.32260	1.1
548.15503	2.8
563.17523	68.6
563.25031	52.9
563.31354	12.0
564.17914	11.1
564.25452	6.4
564.70923	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44076	1.4
55.01745	4.1
55.11354	1.3
56.74473	1.4
57.03331	8.4
58.00465	3.3
59.01253	100.0
61.38489	1.3
61.98707	19.2
69.28409	13.0
71.01257	81.0
72.01594	1.6
72.99182	5.0
73.02823	18.1
75.00736	3.9
78.40707	1.2
81.03320	1.6
83.01257	12.1
85.02348	2.0
85.02831	32.0
86.16465	1.3
87.00746	7.5
89.02322	53.2
95.01256	4.0
96.95883	2.8
97.02836	3.8
97.06480	1.4
98.02355	4.7
98.95486	2.5
99.00772	9.7
99.01848	2.3
101.02328	60.3
102.02689	1.6
102.82656	1.4
107.04884	2.5
111.00758	4.7
112.56391	1.3
113.02327	29.2
117.03376	1.4
119.03381	10.5
119.04882	2.6
121.39771	1.3
123.04403	2.8
125.02339	5.1
129.01811	2.1
131.03407	22.4
133.04955	2.0
133.06454	1.2
135.04366	2.8
137.02328	2.9
139.03883	1.4
143.03406	3.8
145.02840	4.9
149.04463	14.8
150.03090	3.3
151.00313	2.2
151.03891	1.6
151.05992	4.9
153.05463	2.3
159.02957	3.9
161.02307	3.1
161.04474	24.4
161.09621	8.0
161.13268	2.6
163.11218	2.5
164.04596	1.9
165.05499	2.1
175.03799	1.5
177.01779	1.3
179.05513	5.1
179.06956	1.7
180.04120	1.5
181.04956	2.0
187.11186	7.6
189.09109	4.7
190.02689	1.4
191.01854	3.7
191.03662	1.3
191.05490	4.6
193.04987	2.1
195.06532	2.9
205.05090	3.2
205.12270	4.0
207.10278	2.5
227.12778	2.0
233.06770	2.1
249.11264	3.8
255.02873	3.7
265.07278	1.5
271.02499	2.9
275.61841	1.6
284.03226	1.8
285.03958	2.7
295.10361	1.9
300.02719	6.9
301.03690	3.7
313.11292	6.9
329.20654	1.5
334.19519	1.7
341.14105	1.8
367.10004	1.5
371.20755	93.3
372.20966	11.9
389.53082	1.6
403.07617	1.9
404.40259	1.5
415.19690	1.9
447.09268	8.6
503.24994	75.8
504.19284	1.8
504.25330	11.2
505.13452	2.8
563.15924	2.8
563.23499	64.8
564.23962	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	563.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	2.9
57.03327	9.9
58.00457	3.8
59.01250	100.0
60.01588	2.1
61.98705	31.3
66.91740	1.7
67.08424	1.4
69.59768	7.1
69.60176	2.8
71.01255	57.4
72.99173	7.9
73.02816	11.9
75.00744	3.7
81.45762	1.7
83.01260	4.5
85.02824	65.0
87.00743	7.9
89.02317	94.9
96.95889	4.8
96.96844	1.5
98.02361	4.0
98.20652	1.7
99.00735	5.4
99.01900	1.7
101.02324	47.8
107.85065	1.5
108.01987	1.8
111.00769	2.4
113.02312	13.2
115.91989	1.8
117.03323	6.5
119.03402	10.9
119.04910	4.7
121.02856	2.1
123.04401	6.2
125.02316	6.6
129.01840	8.9
131.02454	3.2
131.03394	47.8
132.03703	2.9
133.02823	2.0
134.03563	2.0
135.04414	4.3
143.03485	1.6
145.02858	24.8
147.02917	8.1
149.04463	92.9
150.04776	2.4
151.00240	2.0
153.05457	4.6
160.01555	5.0
161.04472	4.9
163.03951	9.2
164.04660	2.5
166.02580	1.9
173.00734	2.1
175.00243	5.8
175.03918	5.3
176.01010	3.2
177.01854	9.0
178.06293	1.7
179.05582	2.8
181.04988	1.6
190.02657	12.1
191.01904	34.5
191.03514	5.4
191.05522	29.4
193.05023	1.8
195.06586	10.0
202.80193	1.7
205.05025	14.5
206.05206	1.7
221.06624	2.1
223.06079	3.9
251.07649	2.3
301.03503	6.6
311.09799	4.5
353.08719	3.6
367.10233	9.2
371.20578	4.3
371.24634	2.3
503.24814	11.4
505.10056	2.0
538.85870	1.7
563.17010	12.4
563.26038	10.9
564.19287	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	564.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34140	0.2
58.30099	0.2
59.01257	1.1
61.98705	100.0
66.89238	0.2
67.27884	0.2
67.66014	0.2
69.82881	0.6
69.83276	0.3
70.30044	0.2
71.01270	0.4
74.94259	0.2
89.02309	0.6
101.02329	0.5
134.03600	0.5
200.33064	0.2
228.41319	0.2
240.04268	0.2
318.25989	0.2
346.72778	0.2
432.26968	0.3
439.08014	0.3
504.31042	0.4
564.31219	0.6
565.24036	0.4
570.25183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1198
Annotation	Quercetin 3-xylosyl-(1->2)-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
55.01785	0.4
57.03331	0.5
59.01254	6.6
61.98703	1.0
63.02268	0.4
65.00186	0.6
66.90435	0.3
67.84350	0.3
68.97874	0.3
69.52386	1.8
71.00885	0.6
71.01254	6.9
73.02818	1.5
76.21597	0.3
83.01257	1.2
85.02821	2.7
87.00774	0.6
89.02319	2.7
95.01274	0.5
97.02816	0.3
98.19799	0.5
99.00744	1.1
99.65924	0.3
101.02322	4.3
107.01270	1.2
108.02069	1.2
109.02853	0.7
111.00764	0.6
113.02337	2.0
117.26817	0.3
121.02842	0.9
123.04411	1.4
125.02339	1.1
129.01797	0.3
131.03416	2.8
135.04404	0.3
143.03384	0.3
148.01610	0.8
149.02348	0.4
149.04424	0.7
151.00270	4.7
153.01854	0.8
153.05510	1.3
161.04488	1.7
163.00299	0.7
164.01114	0.4
165.05511	0.5
174.01616	0.6
175.03979	0.4
177.01845	0.4
178.99803	3.0
191.05685	0.3
199.03902	0.3
211.04016	0.5
215.03497	0.6
216.04164	0.4
226.02690	1.1
227.03502	2.1
243.00476	0.4
243.02982	8.0
244.03493	0.8
254.02269	1.4
255.02974	20.8
256.03375	2.0
271.02481	43.9
272.02945	4.9
273.03989	0.7
281.13892	0.4
282.89459	0.3
299.02136	1.8
300.02744	100.0
301.03287	16.6
302.03809	0.6
361.16525	1.3
373.22308	7.5
374.22571	0.6
433.07736	0.5
505.26556	9.7
506.26877	1.0
565.11963	86.2
566.12335	14.4
566.21307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11822	1.1
55.01764	2.7
57.03328	10.7
58.00485	1.5
59.01254	36.5
61.98704	16.5
69.26414	7.7
69.26820	2.8
71.01263	20.3
72.99184	4.1
73.02825	3.8
75.00771	1.9
83.01260	2.6
84.02062	1.6
85.02827	72.7
87.00765	3.2
89.02319	15.7
91.01820	1.9
95.01224	1.1
101.02328	9.5
108.27599	1.1
113.02343	5.3
119.01254	6.0
119.03404	1.8
121.02845	5.2
122.03673	2.4
123.04423	3.1
125.02386	1.8
125.64223	1.2
129.01813	9.7
131.03391	1.8
132.02066	4.3
133.02831	3.0
134.03641	9.1
135.04395	2.6
137.02332	2.1
138.77989	1.2
139.00206	1.8
145.02895	4.3
146.03476	1.9
147.00806	3.4
147.02873	8.5
147.04398	3.4
149.02367	25.4
149.04378	1.9
149.05966	1.6
150.03065	2.5
151.00287	2.8
151.03871	1.2
152.01067	2.1
153.01869	3.7
153.05467	3.3
160.01602	19.7
160.05217	1.6
161.02312	3.9
163.03961	3.0
164.04703	28.7
165.01773	2.4
165.05392	2.1
165.27618	1.1
166.02608	8.8
173.00952	1.3
173.05898	2.5
175.00301	30.5
175.03923	22.5
175.07683	1.6
176.00957	4.7
177.05450	1.3
178.81526	1.5
179.03384	2.8
179.07098	7.5
181.05000	16.6
182.05751	2.8
189.01875	1.9
190.02657	91.0
190.06262	4.3
191.01913	28.8
191.03383	8.2
193.05014	7.4
197.08189	2.0
202.02679	1.8
203.03490	5.2
205.05014	81.6
206.05424	6.1
207.03020	1.5
209.04547	3.0
217.05035	3.2
218.05707	5.6
221.04466	1.4
221.08005	2.5
223.06079	37.1
224.06453	2.1
227.09134	1.5
233.08189	7.7
237.07739	1.7
241.05051	4.6
250.04781	1.4
251.05666	2.3
256.03543	1.9
256.07416	3.6
265.07220	11.2
271.09787	10.2
285.03665	2.3
286.03857	1.4
295.08029	1.9
311.07950	1.6
319.11862	1.4
325.09433	2.4
339.08780	2.1
355.08337	2.4
370.10547	3.3
373.26007	3.0
385.13022	16.8
386.13605	2.0
415.14203	3.3
505.26453	6.4
528.19177	1.3
547.27747	2.2
565.19397	100.0
565.28015	5.5
566.19684	19.8
566.28046	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05830	1.4
55.01749	2.3
57.03327	14.4
59.01255	20.5
61.98705	34.3
67.01778	1.7
71.01257	13.5
71.05360	1.3
71.54430	2.6
71.54809	1.4
72.99187	3.2
75.00746	4.2
76.16252	1.3
83.01266	3.4
83.31718	1.2
85.02824	95.4
86.03168	2.3
87.00762	16.5
89.02344	6.2
91.01818	1.9
91.52206	1.2
93.03353	2.6
93.58229	1.5
96.95863	1.4
99.00716	1.9
101.02332	9.6
103.00254	3.3
111.00739	2.0
113.02293	3.7
117.03357	2.6
119.01289	8.5
121.02879	10.7
123.00791	1.8
123.04401	5.7
124.01586	1.6
125.02360	2.8
129.01830	14.5
132.02058	6.2
134.03671	12.1
135.04414	5.5
137.02332	4.9
138.03104	2.5
145.02863	3.8
147.00806	4.0
147.02901	12.5
147.04466	2.1
149.02370	27.3
149.05911	2.2
150.03101	2.5
150.04379	1.3
151.03943	4.0
153.05466	6.7
154.01364	7.2
160.01578	33.0
161.02318	5.8
162.03084	2.1
163.03926	21.1
164.04704	72.2
165.01830	2.6
165.05215	4.7
173.00861	4.1
175.00281	42.4
175.03909	30.3
176.00894	4.4
176.04308	1.5
177.01727	1.8
177.05501	2.5
178.02658	1.9
178.06230	2.6
179.03485	11.8
179.07053	32.6
180.07449	2.0
182.05743	2.2
190.02649	95.8
191.01851	46.1
191.03349	6.9
193.01323	1.9
193.05011	12.5
194.05731	6.3
195.06538	3.5
197.08125	2.3
205.05008	100.0
206.05345	7.4
208.03758	4.7
209.04535	2.1
209.08125	6.6
223.04073	2.8
223.06073	30.3
265.07169	4.2
295.08340	4.0
337.09335	14.1
337.71603	1.6
338.09698	2.1
353.08936	1.8
367.10327	42.5
368.10599	3.9
373.25714	5.7
547.18268	67.4
547.26782	3.6
548.18726	12.5
565.19269	34.2
565.28430	11.3
566.11304	2.9
566.19678	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	565.2082
Annotation	Pterocellin E
Peak:m/z	Relative Intensity
57.03326	0.7
59.01253	10.4
61.98705	19.2
69.20052	6.7
71.01254	4.7
73.73170	0.7
85.02841	1.3
87.00725	0.8
88.93679	0.7
89.02322	4.7
89.03835	1.3
92.33443	0.7
93.03354	0.8
95.04890	0.9
98.19737	1.4
101.02351	3.7
105.03298	0.7
107.03031	0.7
109.02814	1.4
113.02337	2.0
117.03355	5.4
119.03394	1.6
119.04922	2.3
121.02831	0.8
123.04424	0.8
132.02068	6.0
133.02864	10.6
134.03638	60.5
135.04440	22.3
137.02348	6.3
139.03906	1.7
147.04424	3.6
148.05168	1.0
149.06012	5.8
150.03163	1.2
151.03853	1.1
153.05429	1.5
159.04393	1.2
160.01587	15.8
161.02348	8.1
161.04485	1.2
166.02582	1.6
175.03928	8.6
177.01874	0.9
178.02646	3.5
179.03450	15.5
179.05304	1.4
180.03789	1.2
181.04991	1.7
189.05626	0.9
191.03607	1.0
193.05005	31.7
193.06790	1.5
194.05309	1.6
205.05057	1.0
207.06665	3.9
209.11777	1.3
341.10403	0.9
357.13284	1.3
371.14993	0.9
504.32544	1.0
505.33456	2.4
550.18524	3.4
565.20795	100.0
566.21094	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	565.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20023	0.2
55.01760	0.2
57.03323	1.4
57.71278	0.2
59.01254	6.1
60.01584	0.4
61.98703	6.2
69.03322	0.2
69.28171	1.9
71.01254	2.5
72.99182	0.6
73.02829	1.4
75.00733	2.0
79.05424	0.2
81.03339	0.4
83.01259	2.0
83.04881	1.1
85.02824	1.4
87.00737	1.5
89.02319	0.8
93.03339	0.6
95.01292	0.3
95.04921	1.1
97.06448	0.5
98.20502	0.4
99.00770	0.3
101.02301	1.9
107.04906	1.6
108.02077	0.3
109.02866	0.2
111.00812	0.3
113.02328	0.9
117.03386	0.2
119.03439	0.2
119.04872	0.3
120.05701	0.6
121.02827	0.6
122.03659	1.0
123.04414	78.2
124.04737	2.6
125.02373	0.5
134.03664	0.2
135.04395	0.7
135.08066	0.3
135.11685	0.2
135.85590	0.2
137.02330	0.3
138.01880	0.4
145.02846	1.2
147.08043	0.5
149.05994	0.3
152.04721	0.3
153.05487	100.0
154.05832	4.5
158.09959	0.2
159.08081	0.4
160.01570	0.7
161.04500	0.3
161.09644	3.4
161.13297	1.2
163.03897	0.3
163.11241	1.1
165.05508	0.3
175.03925	0.7
179.07111	0.4
179.10733	1.3
187.11209	3.8
188.11516	0.3
189.09132	2.5
190.02626	0.3
190.09451	0.4
193.64209	0.3
197.08119	0.4
203.10724	0.9
205.05035	0.4
205.12288	1.9
207.10240	1.1
221.11972	0.2
223.13309	1.8
229.12402	0.3
231.10191	0.7
247.13300	0.2
249.11298	2.1
267.12305	1.0
273.11209	0.5
291.12415	0.5
297.09863	0.4
305.09937	0.2
309.13135	0.3
315.10843	10.0
315.75888	0.2
316.11255	0.9
333.13568	0.7
351.14590	0.4
359.13431	0.3
375.27368	0.5
411.16592	4.2
412.17029	0.7
426.63712	0.3
465.21378	0.3
547.21759	0.5
565.22900	33.8
566.23273	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	565.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.3
55.10260	0.2
57.03329	0.6
58.84208	0.2
59.01250	8.6
61.98702	8.4
70.85773	0.3
70.86117	0.4
70.88169	0.2
71.01250	2.4
72.99194	0.3
73.02836	1.4
78.70924	0.2
83.01250	1.3
83.04886	0.4
85.02824	1.3
87.00747	0.4
89.02327	0.9
90.14751	0.2
93.03339	0.7
95.04906	1.0
97.02856	0.5
101.02316	2.2
105.03334	0.3
107.04968	0.3
108.02061	0.4
109.02879	0.3
111.00765	0.3
113.02362	0.8
117.03359	0.3
119.03403	0.3
121.02840	1.7
122.03643	1.0
123.04412	69.2
123.60476	0.2
124.01529	0.3
124.04736	1.9
125.02331	0.5
134.03668	0.3
135.04420	0.4
136.01613	0.3
137.02356	0.4
137.05983	0.3
145.02910	1.2
145.10086	0.3
146.03285	0.3
149.02312	0.3
151.00221	0.3
151.03957	1.2
152.04698	0.9
153.05482	100.0
154.05820	4.0
160.01570	1.0
161.02336	0.3
161.04523	0.7
161.09584	0.5
163.03873	0.3
164.04732	0.5
165.05522	0.5
166.02664	0.3
169.52782	0.2
175.03903	1.3
176.01152	0.4
177.01855	0.3
178.48637	0.3
179.07077	0.6
179.10722	0.7
181.05035	0.4
187.11180	0.5
189.09088	0.3
190.06226	0.3
191.03462	0.4
193.05046	0.4
195.06595	1.4
197.08102	0.4
203.10619	0.2
205.12292	0.4
207.10222	0.8
215.90826	0.3
219.06635	0.4
223.13324	1.9
229.12337	0.2
249.11316	0.5
267.12402	0.5
267.15964	0.4
297.09808	4.0
307.08221	0.3
315.10870	4.7
316.11285	0.4
333.13513	0.6
343.15488	0.6
357.11935	3.4
357.26288	0.8
375.27521	1.4
403.17709	1.4
411.16696	0.5
433.28091	0.4
505.34079	0.3
547.21881	0.7
565.22559	3.8
565.33203	0.3
566.23578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.6
59.01251	4.7
61.98705	3.1
65.82533	0.3
67.18851	0.3
71.01254	1.4
71.31884	0.5
71.32253	0.3
71.93474	0.3
73.02817	1.2
77.34357	0.3
81.03300	0.3
83.01258	2.3
83.04892	0.7
85.02835	0.9
87.00729	1.6
87.96570	0.3
89.02326	0.8
95.04891	1.2
97.06450	0.6
101.02322	1.7
107.04907	1.8
108.02103	0.3
109.06430	0.4
113.02337	0.6
116.92744	0.7
120.05715	0.8
121.02890	0.4
122.03620	0.6
123.04410	73.7
124.04736	3.3
125.02315	0.5
134.03651	0.5
135.04398	0.9
147.04436	0.3
147.08031	0.4
149.05949	0.5
153.05482	100.0
153.87984	0.3
154.05823	5.2
156.74117	0.3
157.06445	0.3
159.08141	0.3
160.01515	0.8
161.09644	2.7
161.13268	0.9
163.11214	1.2
164.04724	0.4
165.05479	0.3
167.07050	0.4
175.03958	1.0
177.01808	0.4
186.21747	0.3
187.11194	4.4
189.09158	3.2
203.10637	0.6
205.12306	2.1
207.10229	0.8
223.13257	1.6
231.10144	1.4
249.11287	2.4
267.12399	1.0
273.11325	0.8
285.44803	0.4
291.12418	0.9
315.10837	10.3
316.11301	0.6
333.13382	0.5
357.88153	0.4
411.16568	4.4
412.17093	0.4
547.22247	0.6
565.22858	29.7
566.23163	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	565.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78304	0.7
57.03326	1.8
58.31960	0.7
59.01257	12.3
61.98703	12.3
69.03319	1.1
69.28818	6.1
69.53587	0.7
71.01257	7.3
72.99181	0.6
73.02824	3.0
74.79694	0.7
75.00759	2.3
83.01276	2.0
85.02820	5.1
87.00763	2.3
89.02332	3.2
91.07953	0.6
93.03344	1.0
95.01258	0.9
99.00805	0.9
101.02310	4.2
101.05906	0.7
103.03929	0.9
105.03345	1.1
107.04937	1.1
108.02062	2.2
109.02851	2.6
109.53701	0.7
111.00753	0.8
111.75079	0.8
113.02357	1.7
117.03349	2.0
119.03384	0.8
119.04877	1.2
121.02842	2.7
122.03707	0.7
123.04413	63.5
124.04771	2.0
125.02336	1.3
132.02072	17.6
133.02885	5.0
134.03641	19.4
135.04425	2.9
137.02386	2.3
139.03862	0.8
145.02911	1.9
147.04414	0.7
149.02344	0.9
149.04590	0.9
149.06027	3.3
151.03906	0.9
152.01083	0.9
152.04855	0.7
153.05486	86.8
154.05853	4.3
154.32851	0.7
160.01579	85.0
161.01939	4.4
161.09604	1.6
161.13422	0.8
163.03960	1.5
164.04715	3.0
165.05440	1.0
175.03931	87.9
176.04297	5.3
177.01813	1.0
178.02667	1.6
179.03400	1.3
179.07101	3.1
187.11349	1.0
189.05426	0.8
189.09233	1.2
191.07141	0.8
193.05013	15.5
197.06068	2.9
197.07967	0.9
197.11800	0.9
205.05049	1.2
207.10226	1.2
223.13274	1.1
227.16498	1.0
235.06244	1.0
249.11514	1.2
261.39792	0.7
297.09845	1.3
315.10916	5.0
403.17535	2.2
411.16718	2.1
505.19528	0.8
505.26514	1.2
565.26672	100.0
566.27112	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	565.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
57.03318	0.7
59.01255	3.4
61.98703	3.8
69.49046	1.6
71.01254	3.9
72.99191	0.5
73.02815	1.0
83.01266	0.5
85.02822	2.6
87.00739	0.8
89.02321	0.8
93.03345	0.3
95.01299	0.4
98.19748	0.5
99.00763	0.6
101.02332	1.8
101.06200	0.3
105.03338	0.4
109.02843	0.4
112.62289	0.3
113.02332	1.0
116.92730	0.4
117.03350	1.0
121.02849	0.6
123.04411	0.8
125.02378	0.4
129.72575	0.2
132.02069	15.4
133.02887	4.5
134.03635	18.5
135.04491	2.1
136.01582	0.5
137.02335	1.4
139.03871	0.6
145.02887	0.5
147.04474	0.3
149.02318	0.8
149.05978	2.4
150.03128	0.6
153.01808	0.4
153.05481	1.0
155.10597	0.4
157.08514	0.4
159.02962	0.3
160.01572	78.4
161.01923	4.7
161.04433	0.3
161.05840	0.3
163.03932	0.5
163.66031	0.3
164.04742	0.5
175.03925	88.4
176.01073	0.6
176.04277	5.5
177.01863	0.9
177.05537	0.9
178.02589	0.8
179.03419	1.6
179.07045	0.5
181.05055	0.4
189.05455	0.3
191.01852	0.5
191.03429	0.9
193.04999	13.6
194.05336	0.8
221.04562	0.5
227.16554	0.3
289.07199	0.3
295.30914	0.3
305.45789	0.3
373.12964	0.4
387.14490	0.4
394.28513	0.3
403.17746	0.7
408.89536	0.2
450.68399	0.3
505.18472	0.5
535.19922	1.2
550.24377	1.0
565.26544	100.0
566.26898	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.3
57.03319	3.1
57.88933	0.8
58.00477	1.1
59.01254	72.7
60.01602	1.3
61.98703	6.7
69.03333	1.1
70.83591	2.0
71.01257	51.1
72.99188	2.9
73.02822	14.4
81.03357	0.9
83.01261	8.2
85.02828	21.8
86.03146	1.0
87.00758	3.1
87.32079	0.9
89.02318	26.2
89.04333	0.8
90.78777	0.8
92.93988	0.8
95.01277	2.3
97.02834	1.5
99.00777	5.8
101.02330	39.1
111.00768	3.6
113.02336	18.8
113.21265	0.9
115.03912	1.0
119.03386	3.0
125.02318	4.3
129.01817	2.2
131.03410	21.4
133.02866	0.9
135.04402	1.4
143.03403	3.4
145.02840	1.3
147.02905	1.8
149.04474	5.4
149.52945	0.9
151.00291	3.0
153.01881	1.6
153.05415	1.3
159.02899	3.8
159.04189	0.9
160.01556	0.8
160.05219	1.6
161.02411	2.0
161.04466	18.6
166.02652	5.4
173.05913	1.4
175.03946	3.2
175.07542	1.3
179.03453	1.1
181.04990	11.8
188.04730	0.9
190.02699	2.3
190.06287	2.5
191.01892	3.5
191.03415	0.9
191.05501	1.4
203.03419	3.1
205.04997	2.1
205.08731	2.1
217.05005	1.6
218.05814	4.9
223.06053	1.5
233.06250	1.7
233.08466	4.5
241.04912	1.8
251.22691	1.0
256.07498	1.2
271.09781	2.5
287.05719	1.1
347.29486	1.0
354.10464	1.3
355.08206	2.3
370.10501	1.4
373.22305	83.7
374.22617	8.6
385.12943	17.5
386.13306	1.9
415.13879	2.5
417.21161	1.1
505.26581	100.0
506.26956	14.2
565.19354	24.5
565.28235	1.7
566.19775	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	565.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89065	0.4
55.01750	1.5
57.03327	3.1
58.00475	0.5
59.00956	0.7
59.01251	12.4
59.17745	0.4
61.98702	29.0
69.03323	1.2
69.24276	1.9
69.24709	1.9
71.01252	15.7
72.99194	1.1
73.02821	6.5
75.00729	1.5
75.54865	0.5
78.95760	0.4
81.18187	0.4
83.01258	4.7
85.02821	12.5
87.00743	1.6
89.02323	3.7
93.03320	0.7
95.01268	1.4
95.04952	0.5
97.02812	0.8
97.06469	0.7
97.12572	0.4
99.00759	2.7
101.02327	18.8
111.00754	1.5
113.02331	7.3
115.03911	0.4
119.03397	0.5
119.04860	0.6
122.03632	0.5
123.04415	10.0
123.55000	0.4
124.01605	0.6
124.04736	0.5
125.02334	1.4
127.11142	0.5
129.01862	2.5
131.03342	0.8
134.03624	0.5
137.02367	1.0
137.09604	0.5
141.12669	0.4
143.03410	2.1
145.02861	1.0
149.02411	0.7
149.04425	0.6
152.01021	0.6
153.05481	13.1
154.05836	1.1
159.02899	2.6
160.01538	1.0
161.04465	16.5
162.04875	0.7
163.04044	0.4
164.04710	2.1
167.03453	0.7
173.00827	1.0
175.03932	1.2
179.07027	2.3
197.15390	0.5
205.03448	2.5
223.08185	61.4
224.08524	3.2
246.16373	0.4
295.22916	0.6
311.22394	0.7
311.25946	0.8
313.23831	7.2
314.24216	0.7
341.26935	1.8
346.33575	0.4
357.26440	1.2
359.28030	100.0
360.28384	11.4
442.12726	0.5
505.33856	2.5
565.21521	0.7
565.32666	1.2
565.39740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25133	0.5
57.27004	0.5
59.01251	15.9
60.01575	0.7
61.98703	100.0
62.50473	0.5
64.62460	0.6
70.73258	0.9
70.73595	1.0
71.01260	7.3
72.99194	0.7
73.02824	0.8
83.01263	0.7
85.02826	2.9
87.00774	0.8
89.02316	12.0
90.02673	0.7
96.95893	1.0
97.06506	0.6
101.02333	5.6
108.53374	0.5
113.02334	3.8
119.03387	5.3
120.03712	0.6
123.00872	0.6
123.04427	2.1
125.02311	0.9
127.42654	0.5
131.03433	0.8
137.02303	0.5
143.03430	1.5
146.03201	0.7
149.04527	0.6
153.05417	2.6
154.05779	0.5
156.31075	0.5
160.01643	0.6
161.04472	1.2
163.03838	0.6
164.04709	0.9
170.63405	0.5
179.05559	3.2
207.56969	0.5
343.28836	0.7
344.29041	0.6
470.81448	0.5
505.33963	4.4
506.34213	2.4
507.34555	0.6
578.48889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.26
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72966	3.5
59.01248	19.7
61.98709	23.6
69.44322	9.3
69.44729	19.6
69.54073	3.5
72.99124	3.5
78.95292	3.6
93.03357	10.9
97.32847	3.5
101.02330	5.9
103.31911	3.3
108.02059	7.0
112.51317	4.2
121.02840	100.0
123.00734	7.4
123.04388	5.2
136.05174	18.3
136.06053	4.1
137.02339	6.1
139.03865	5.1
142.15631	4.1
144.14253	4.3
148.05222	4.1
149.02362	5.5
150.03131	3.7
151.03938	4.7
163.03940	16.9
164.04726	9.4
165.24977	3.7
168.04251	9.4
177.79808	3.7
178.06277	12.0
179.07076	6.6
216.73303	3.8
225.11142	4.2
228.04128	4.0
240.04172	7.3
254.19521	4.5
255.06659	26.8
270.08994	18.6
271.09671	8.3
285.11322	10.7
325.14255	4.9
331.15533	6.3
357.13467	6.1
360.06253	4.2
372.15771	58.1
373.16104	11.3
375.08475	4.7
390.11041	15.7
405.13358	45.8
406.13660	12.9
420.15771	18.8
435.18167	62.4
436.18317	12.7
479.20493	5.9
519.20026	4.3
530.36548	4.6
567.24567	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	567.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.6
61.98701	21.3
62.30703	2.5
69.22523	24.0
81.91995	2.4
84.79272	2.8
92.64993	2.8
93.03329	5.4
107.40724	2.5
121.02848	17.4
123.00740	3.2
133.64902	2.6
135.04391	4.1
137.02319	6.4
149.02426	3.2
151.03882	2.7
163.02649	4.5
163.03920	37.6
164.04532	2.6
176.52055	2.7
178.06300	35.1
183.04417	4.0
184.05133	2.8
187.03883	3.3
193.08626	12.0
211.03922	5.2
211.13274	5.8
212.04666	6.7
223.03931	3.0
226.40750	2.5
235.39804	3.5
240.04231	46.6
241.04524	3.4
243.06628	7.1
255.06627	100.0
256.06949	10.1
257.08160	4.3
258.08862	3.5
259.19565	3.1
270.08994	66.5
270.96710	2.5
271.09357	7.7
285.11328	65.8
286.11667	5.0
358.14169	5.1
373.16418	6.3
386.66327	3.1
421.71088	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47886	0.7
55.01756	2.6
57.03326	15.1
58.03653	0.8
59.01251	12.1
61.98377	1.0
61.98703	20.6
67.58657	0.6
68.99702	0.8
69.42692	4.9
71.01248	7.6
72.99181	1.9
73.02813	1.6
75.00758	5.8
75.84552	0.6
83.01257	1.7
84.02030	2.7
85.02826	100.0
86.03166	2.7
87.00757	1.9
88.98692	2.7
89.02348	3.3
93.03339	0.8
98.19781	0.9
99.00759	0.9
101.02337	3.0
101.62712	0.7
103.00250	2.1
111.00785	1.1
113.02335	1.7
115.00294	1.1
116.00684	0.7
116.92802	0.6
119.04858	0.8
120.99584	0.7
121.02840	1.8
122.03661	0.6
123.04405	2.1
125.02338	0.8
129.01836	15.0
130.02122	0.7
131.03409	0.7
132.02068	1.1
132.69020	0.6
133.02847	8.9
134.03552	0.6
135.04439	4.1
135.08055	0.9
145.02824	1.8
147.02902	16.0
149.02357	5.2
150.03090	1.2
153.01840	0.9
159.02792	0.7
160.01601	1.0
161.02370	26.4
161.04405	1.2
162.02690	1.5
163.03923	1.3
164.04666	1.8
165.05325	0.7
173.00819	2.2
175.04045	1.7
177.05519	0.9
179.03464	2.8
179.07059	2.5
181.04930	0.6
190.02649	2.8
190.04471	0.7
191.01883	53.8
191.18658	0.6
192.02129	1.4
193.04951	1.0
194.05763	0.7
205.04947	3.2
206.05295	2.0
221.04556	1.0
223.06161	1.0
224.06355	0.9
327.12534	0.9
327.41296	0.6
328.13092	1.4
341.10208	0.7
341.26422	0.6
357.26401	1.2
359.15005	1.9
368.31039	0.8
371.15085	1.1
375.23904	1.3
375.27530	6.4
376.27832	1.1
505.16968	1.2
505.29950	1.4
507.20377	2.0
507.27362	1.3
537.21112	7.1
538.21442	1.2
549.29175	4.0
550.28845	0.8
567.23425	9.4
567.30389	14.1
568.23773	1.9
568.30707	2.5
569.65161	0.8
592.83765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.7
57.03328	16.2
58.00474	0.7
58.93989	0.5
59.01252	13.7
60.99176	0.9
61.98706	21.7
68.99701	0.6
71.01258	6.4
71.54774	0.7
72.99168	1.9
73.02831	1.5
75.00749	4.9
83.01265	2.9
84.02045	2.5
84.88375	0.6
85.02826	100.0
86.03169	2.4
87.00765	3.5
88.98678	3.8
89.02330	2.2
93.03336	1.0
95.01253	0.7
99.00745	0.8
99.79720	0.5
101.02323	2.5
101.20370	0.5
103.00254	1.8
109.02813	0.6
111.00755	1.1
113.02351	1.3
115.00238	0.9
116.92758	0.8
117.62646	0.6
119.04922	0.8
120.99533	0.6
121.02824	1.3
123.04404	1.1
125.02293	1.1
129.01842	15.0
130.02164	0.8
131.03444	0.7
132.02078	0.6
133.02838	5.1
134.03624	1.1
135.04401	1.9
141.03783	0.6
145.02924	1.2
147.00980	0.5
147.02914	11.1
149.02364	5.2
150.03127	1.4
151.03912	0.9
153.01820	0.7
153.05530	1.1
160.01553	0.7
161.02368	13.6
161.04472	0.7
161.05998	0.6
163.03922	1.1
164.04692	1.4
165.05438	1.2
171.10170	0.5
173.00856	3.0
175.00340	1.3
175.03923	0.9
176.00734	0.6
179.03418	1.7
179.07060	1.6
190.02670	2.5
191.01883	47.4
192.02271	2.4
198.98082	0.5
205.04977	2.0
206.05373	1.7
207.05521	1.2
209.03033	0.7
223.06023	1.1
224.06522	0.6
327.12646	0.8
328.13217	0.8
341.10193	1.0
357.26544	1.3
359.15085	1.0
371.15182	0.8
375.23511	1.2
375.27631	6.0
376.27994	0.7
443.30243	0.8
488.90219	0.6
505.17102	0.7
505.29718	1.2
507.20151	1.8
507.27908	1.5
531.27557	0.7
537.21503	5.2
538.21918	1.4
549.29321	3.8
550.29456	0.7
567.23022	3.0
567.31000	17.1
568.30884	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.6
57.03311	1.9
59.01253	20.0
60.82019	0.6
61.98704	100.0
68.85570	0.6
69.24079	6.0
71.01254	13.3
71.23703	0.8
72.99200	1.1
73.02817	5.1
75.00745	1.4
83.01257	3.4
85.02815	6.4
87.00746	1.2
89.02349	2.2
91.59336	0.6
95.01260	1.0
99.00793	1.4
101.02319	11.1
111.00784	1.9
113.02332	4.7
119.03397	0.7
123.04430	4.9
123.65047	0.7
124.04735	1.1
124.86991	0.6
125.02325	1.2
129.01819	0.8
137.02306	0.9
143.10721	1.0
151.04036	0.7
153.05481	5.6
154.05838	2.0
159.02962	1.9
160.01608	1.2
161.04549	2.6
175.04039	1.1
193.05103	0.9
199.56943	0.7
203.09201	0.7
226.29076	0.7
260.09256	0.9
345.30231	2.1
361.76157	0.9
507.35382	47.0
508.35535	7.7
567.26862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25561	0.1
57.03328	0.5
59.01253	2.2
61.98705	100.0
62.98417	0.2
69.34098	1.1
71.01251	1.9
71.01611	0.2
72.01589	0.2
72.99213	0.3
73.02824	0.4
75.00757	0.3
83.01279	0.3
85.02827	2.0
86.03183	0.4
87.00762	0.2
88.98685	0.4
89.02298	0.7
93.03334	0.6
101.02346	1.0
102.02680	0.2
103.00228	0.2
108.02032	0.2
109.02873	0.2
111.00790	0.3
113.02345	0.4
117.03407	0.2
119.03476	0.2
119.04958	0.3
121.02847	0.3
122.03698	0.2
123.00780	1.0
123.04424	0.3
124.01549	0.5
125.02361	0.6
129.01843	0.3
131.03424	0.4
133.02870	0.8
135.04420	0.4
137.02338	1.3
139.04005	0.2
145.02904	0.4
147.02963	0.2
149.02371	0.3
149.58490	0.2
150.03209	0.5
151.03906	0.2
153.01831	0.3
153.05522	0.2
161.02351	1.4
161.04427	0.3
162.02789	0.5
163.03976	0.2
164.01013	0.1
164.04730	0.2
165.01883	0.4
165.05531	0.6
175.03929	0.2
177.01892	0.2
177.05519	0.2
179.03502	0.4
181.05072	0.3
182.07066	0.1
191.01913	0.7
193.05081	0.2
195.06625	0.3
199.90678	0.2
205.05046	0.2
207.06638	0.2
223.06195	0.2
272.06912	0.3
281.06680	2.5
287.06030	0.3
287.09247	2.4
317.21698	0.1
358.40192	0.2
367.30545	0.2
373.21933	0.2
374.22763	0.4
375.23044	0.4
376.23575	0.4
390.96222	0.1
505.17535	0.5
506.17767	0.2
507.27805	0.2
508.28171	0.6
521.18408	0.2
568.24414	0.8
569.23499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25561	0.1
57.03328	0.5
59.01253	2.2
61.98705	100.0
62.98417	0.2
69.34098	1.1
71.01251	1.9
71.01611	0.2
72.01589	0.2
72.99213	0.3
73.02824	0.4
75.00757	0.3
83.01279	0.3
85.02827	2.0
86.03183	0.4
87.00762	0.2
88.98685	0.4
89.02298	0.7
93.03334	0.6
101.02346	1.0
102.02680	0.2
103.00228	0.2
108.02032	0.2
109.02873	0.2
111.00790	0.3
113.02345	0.4
117.03407	0.2
119.03476	0.2
119.04958	0.3
121.02847	0.3
122.03698	0.2
123.00780	1.0
123.04424	0.3
124.01549	0.5
125.02361	0.6
129.01843	0.3
131.03424	0.4
133.02870	0.8
135.04420	0.4
137.02338	1.3
139.04005	0.2
145.02904	0.4
147.02963	0.2
149.02371	0.3
149.58490	0.2
150.03209	0.5
151.03906	0.2
153.01831	0.3
153.05522	0.2
161.02351	1.4
161.04427	0.3
162.02789	0.5
163.03976	0.2
164.01013	0.1
164.04730	0.2
165.01883	0.4
165.05531	0.6
175.03929	0.2
177.01892	0.2
177.05519	0.2
179.03502	0.4
181.05072	0.3
182.07066	0.1
191.01913	0.7
193.05081	0.2
195.06625	0.3
199.90678	0.2
205.05046	0.2
207.06638	0.2
223.06195	0.2
272.06912	0.3
281.06680	2.5
287.06030	0.3
287.09247	2.4
317.21698	0.1
358.40192	0.2
367.30545	0.2
373.21933	0.2
374.22763	0.4
375.23044	0.4
376.23575	0.4
390.96222	0.1
505.17535	0.5
506.17767	0.2
507.27805	0.2
508.28171	0.6
521.18408	0.2
568.24414	0.8
569.23499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62151	0.1
55.83921	0.1
59.01252	0.9
61.98705	100.0
62.98400	0.2
71.01259	0.6
73.02848	0.1
81.95782	0.1
83.01267	0.1
85.02847	0.2
89.02332	0.4
96.95877	0.1
101.02329	0.3
119.03457	0.1
121.02800	0.1
123.04443	0.3
125.02368	0.2
135.04456	0.3
136.01558	0.1
145.02943	0.1
149.02339	0.6
149.04507	0.2
150.03177	0.1
151.03967	0.3
153.05504	0.2
164.04706	1.5
177.05681	0.1
179.07050	1.2
229.62408	0.1
235.04039	0.1
359.15152	0.4
377.25708	0.1
415.28601	0.6
424.23550	0.1
465.19714	0.1
568.34039	0.2
569.31152	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.5
61.98703	100.0
69.25578	0.5
69.25994	0.8
69.52319	0.1
71.01256	0.4
73.02825	0.2
87.04401	0.6
94.52571	0.1
95.04951	0.2
100.12059	0.2
101.02319	0.2
123.04414	6.1
124.04739	1.7
131.03348	0.2
144.67355	0.2
153.05484	7.5
154.05809	2.9
209.54701	0.2
265.65173	0.2
316.11807	0.2
331.01373	0.1
367.81110	0.1
377.21686	0.2
476.48560	0.2
553.01678	0.2
560.18469	0.2
568.28510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49181	0.1
58.50631	0.1
59.01250	0.4
59.01513	0.1
61.98703	100.0
62.98403	0.2
63.21029	0.1
69.31854	0.5
71.01262	0.1
85.02865	0.1
87.04392	0.4
89.02338	0.1
97.79021	0.1
101.02334	0.1
113.02352	0.1
123.04439	0.2
125.02352	0.1
138.01901	0.2
149.02333	0.1
153.05507	0.2
250.48247	0.1
306.87579	0.1
354.25931	0.1
442.66409	0.1
461.97018	0.1
509.26352	0.1
525.50690	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	569.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17163	0.5
52.06061	0.5
53.25336	0.5
55.01759	1.1
57.03324	0.6
59.01252	21.2
60.01567	0.6
61.98703	72.9
62.98401	0.6
69.03333	0.7
69.43348	2.1
69.43781	1.5
71.01254	16.1
72.99196	1.4
73.02832	4.4
75.00735	0.7
83.01259	2.0
85.02819	7.0
86.43544	0.5
87.00757	0.7
87.04389	100.0
88.04727	2.0
89.02319	7.4
95.01263	0.9
96.95896	0.6
97.02800	0.8
98.19764	0.9
99.00739	1.7
101.02322	9.8
111.00721	1.3
113.02331	4.9
115.89296	0.5
120.64751	0.5
123.04393	1.3
125.02316	2.3
131.03395	6.2
133.02773	0.6
133.04985	0.5
137.02235	0.6
143.03389	0.9
145.02888	1.0
149.04445	2.7
153.01854	0.8
153.05470	1.1
159.02841	1.0
161.02315	0.7
161.04453	3.0
163.03661	0.5
202.97627	0.6
233.06599	1.2
289.16370	1.2
377.21701	8.6
378.21841	0.6
421.20819	4.7
422.21024	0.7
439.22064	0.5
507.22174	0.7
509.25894	27.5
510.26276	4.1
569.25488	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07221	0.3
59.01256	4.8
60.01595	0.3
61.98704	100.0
62.98405	0.3
63.99134	0.5
65.47796	0.3
71.01260	2.6
71.54022	0.4
73.02834	0.5
75.00737	0.5
83.01252	0.4
85.02840	0.8
89.02310	2.4
101.02334	1.8
113.02333	0.6
119.03420	0.5
123.04448	1.3
125.02298	0.4
131.03445	0.9
139.31081	0.3
149.02342	0.6
149.04477	1.2
150.03102	0.4
153.05467	0.9
154.05807	0.4
161.04472	0.4
164.04736	0.7
179.05600	0.3
179.07056	0.5
180.07509	0.3
265.97559	0.3
289.49042	0.4
391.08243	0.3
409.16666	0.8
511.25467	0.5
571.35248	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74274	0.1
59.01245	0.8
61.98705	100.0
62.98392	0.1
63.99136	0.1
69.35806	1.0
69.76285	0.1
71.01253	0.6
72.99192	0.2
73.02818	0.2
85.02823	0.2
87.04388	2.6
87.04883	0.2
88.04730	0.6
88.98680	0.2
93.23282	0.1
101.02369	0.3
113.02341	0.2
128.30417	0.1
128.60362	0.1
131.03448	0.2
179.76109	0.1
184.37767	0.1
191.40250	0.1
195.71841	0.1
377.22043	0.2
378.22235	0.5
510.26776	0.4
535.31555	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	570.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.6
59.42712	0.2
61.98704	100.0
71.01269	0.2
85.02836	0.3
98.19778	0.5
99.76624	0.2
101.02306	0.2
105.22907	0.2
113.02352	0.2
119.04875	0.2
119.60897	0.2
123.04411	0.4
138.01862	1.1
145.02887	0.2
153.05486	0.3
227.23097	0.2
485.30173	0.2
570.26404	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38409	0.5
50.46045	0.6
59.01256	3.0
61.98707	6.5
61.98999	0.6
69.52802	2.9
71.01265	1.4
78.91746	0.8
89.02341	0.8
93.03342	3.7
97.76791	0.7
98.20589	1.1
101.02373	0.6
109.02867	0.9
121.02839	6.4
122.03632	15.8
122.96798	0.5
123.00766	1.1
123.04434	1.1
124.01579	1.6
132.02083	1.0
133.02869	1.6
134.03670	1.4
135.04430	1.5
136.01529	1.3
137.02335	2.0
138.03033	0.9
139.03925	0.8
145.02846	1.1
149.02351	19.4
150.03137	100.0
151.03476	5.3
153.05435	0.7
160.01605	3.0
161.02322	1.2
163.03825	0.6
164.04759	3.2
165.05489	95.8
166.05826	5.5
167.07056	1.7
175.00290	0.8
175.03931	2.7
178.02454	0.5
180.04214	7.0
180.07840	0.7
181.04959	1.8
190.02702	0.7
193.04965	1.2
195.06566	63.0
196.06947	3.0
208.07304	0.7
212.04770	3.4
226.06310	0.8
227.03394	1.2
228.04193	2.5
231.10115	0.8
241.05080	0.7
243.10252	1.0
246.55530	0.6
256.03766	4.3
259.09781	1.2
267.06314	0.9
269.08109	1.8
271.09705	2.4
281.08151	0.7
285.07614	1.3
287.09055	1.5
297.07684	3.8
299.09238	1.3
310.08368	1.0
311.09222	6.4
312.09955	2.9
315.08810	3.7
316.09329	0.8
326.11658	3.1
327.08850	6.9
327.12347	1.3
329.10477	0.6
330.11069	11.4
331.11319	1.3
342.10849	2.3
345.13422	46.3
346.13708	5.4
357.13409	14.8
358.13669	2.3
375.14490	7.2
493.18616	1.2
523.19269	1.9
535.17834	2.1
571.21796	3.8
572.21967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71822	0.4
51.01092	0.4
58.04477	0.4
59.01250	4.4
61.98709	3.4
69.52605	3.3
71.01274	2.1
72.58381	0.5
72.99213	0.5
81.03351	0.5
83.79103	0.5
85.02847	1.0
89.02309	2.2
93.03337	3.9
95.01282	0.6
101.02335	1.4
107.04962	0.5
108.02071	1.1
109.02853	1.1
113.02352	0.9
119.03426	0.7
121.02853	6.0
122.03632	15.7
123.00809	0.5
123.04426	1.5
124.01562	0.7
125.02361	0.5
132.02060	0.7
133.02861	1.8
134.03659	1.6
135.04433	3.2
136.01561	2.1
137.02393	2.7
137.05937	0.4
138.03032	0.4
147.04379	0.6
148.01503	0.5
149.02356	27.7
149.06000	1.3
150.03137	100.0
151.03644	5.9
151.07529	0.6
153.01837	0.6
160.01555	1.6
161.02339	1.4
164.04715	5.8
165.05487	92.5
166.05836	4.8
167.03314	0.5
167.07033	1.9
175.03848	0.5
177.01808	2.7
179.03360	0.5
179.05637	0.7
179.07042	1.1
180.04236	7.5
180.07857	3.0
181.04897	1.8
181.08505	0.5
183.10281	0.8
189.52269	0.5
192.04219	0.8
193.04997	0.5
193.08676	0.7
195.06569	48.7
196.06880	2.7
199.09819	0.5
205.04999	0.7
208.07321	1.9
209.05829	0.6
209.07967	0.7
212.04745	4.2
221.07956	0.5
225.11298	0.6
227.03441	1.3
228.04236	2.8
231.10272	0.7
241.05080	0.6
241.08710	1.0
243.10275	1.1
244.10785	0.5
252.04155	0.7
253.04936	0.6
255.10260	1.1
256.03757	5.4
257.04205	0.8
257.08237	0.6
259.09628	0.7
267.06647	1.5
269.08234	2.8
270.05316	0.7
270.08923	0.7
271.06036	0.6
271.09723	3.5
281.08075	0.6
282.09055	0.8
283.09766	2.4
284.10477	0.6
285.07617	1.3
286.08316	0.6
287.09076	1.1
297.07788	4.2
298.08368	1.2
299.09253	3.1
299.12793	1.1
300.09836	0.8
310.08362	1.6
311.09219	7.1
312.09805	2.7
313.10547	0.5
314.07895	1.5
314.11435	0.8
315.08810	5.1
316.09283	0.7
325.10834	0.9
326.11594	2.4
327.08649	8.6
327.12357	4.9
328.09259	0.8
328.12933	0.8
329.10141	1.5
329.13922	2.3
330.11087	14.9
331.11569	2.0
339.14368	1.1
342.11282	2.2
343.11658	1.0
344.12527	1.6
345.13422	58.3
346.13760	7.1
357.13434	21.5
357.17139	0.4
357.17941	0.6
358.13937	2.6
375.14459	5.1
420.93320	0.5
434.13086	0.8
447.14523	0.6
449.15762	1.4
493.18689	11.8
494.18820	1.8
505.18381	1.0
523.19745	38.8
524.20087	7.8
541.20642	0.8
571.21722	7.5
572.21948	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	571.2889
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
71.30964	0.7
78.95776	71.5
84.41265	0.6
85.84993	0.6
96.96836	15.0
98.03880	0.5
108.65215	0.5
150.97939	1.1
152.99490	68.5
153.99863	1.6
165.37648	0.6
223.00055	1.9
241.01141	36.0
242.01462	0.9
247.20042	0.6
255.23260	80.7
256.23672	7.5
259.02283	0.7
310.64456	0.6
315.04855	10.3
316.05121	0.7
333.06006	0.8
391.22470	5.2
426.78885	0.6
571.28870	100.0
572.29218	17.7
572.38257	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	6.7
59.01254	32.7
61.98706	18.1
69.21548	4.0
71.01252	6.7
73.02802	1.3
79.95622	0.4
83.01276	0.7
85.02823	2.0
85.06483	0.7
87.00758	0.5
89.02316	3.5
96.95902	0.4
98.19699	0.8
99.00761	0.8
101.02316	3.1
109.62500	0.4
111.00767	0.6
113.02335	3.0
119.03400	0.5
123.04392	1.4
129.47104	0.4
131.03403	0.9
137.02402	0.5
139.03973	0.5
149.02348	0.6
149.04466	1.1
153.05499	1.5
161.04485	0.7
164.04669	0.6
177.01782	0.5
179.07013	0.6
191.05516	0.8
205.19614	0.5
273.22238	4.7
274.22638	0.7
287.23767	1.2
289.21689	1.3
289.25363	3.5
290.25653	0.6
303.26959	1.0
305.24866	1.0
349.27548	0.8
391.28558	7.7
392.28738	1.1
409.29602	100.0
410.29922	16.2
410.35367	0.6
451.30786	0.6
511.25409	0.8
571.35406	7.8
572.35138	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.4
60.46642	0.7
61.98706	5.5
63.13135	0.7
67.60687	0.7
68.60133	0.8
71.01257	1.8
71.53947	0.8
75.00738	0.9
93.03336	4.0
96.95882	1.3
99.71419	0.8
108.02074	0.9
109.02841	1.8
121.02850	15.5
122.03660	13.1
123.04414	2.3
124.01584	1.0
125.02348	1.8
133.02843	2.1
134.03593	1.0
135.04413	1.8
136.01579	1.7
137.02367	1.6
138.35579	0.7
139.03886	0.8
149.02354	59.7
150.03139	92.0
151.03670	4.7
153.05453	0.7
159.02516	0.7
161.02350	3.1
161.04289	1.7
162.03113	1.2
163.04054	0.7
164.04727	12.8
165.05490	100.0
166.02635	1.3
166.06273	33.5
167.07039	3.9
168.67030	0.7
172.55608	0.9
175.03914	2.9
177.01840	1.3
180.04224	6.5
181.05023	0.9
181.08632	19.4
182.08977	1.3
191.03314	0.9
195.06566	74.9
196.06886	3.4
241.04753	0.9
253.05025	0.8
267.06546	1.6
269.08121	1.5
270.09061	1.5
271.09744	1.0
283.09875	0.9
285.07806	1.4
298.08496	0.9
313.10916	1.9
314.11639	6.2
315.11890	0.9
329.10370	1.6
329.13919	28.0
330.14294	1.7
343.11871	27.4
344.12088	2.7
350.48709	0.8
377.16040	1.9
391.14117	1.7
445.75391	0.8
525.21411	25.0
526.21606	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	573.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	97.4
61.98704	95.4
62.84293	7.1
69.24419	13.8
69.24812	57.4
71.01253	80.1
71.97527	6.4
73.02823	26.0
73.62272	6.9
83.01268	8.9
85.02829	28.6
89.02312	100.0
99.00748	33.7
101.02311	80.6
113.02355	19.8
119.03407	21.8
125.02352	9.3
125.23772	7.8
128.83533	7.4
131.03391	37.4
143.00490	7.1
149.04495	89.3
156.90228	6.8
161.04428	12.1
191.05531	23.4
375.03619	7.2
488.20959	8.1
513.26794	55.1
514.27728	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	573.2917
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
55.01754	3.8
58.00478	2.3
58.61367	1.5
59.01255	94.1
61.98704	58.6
63.29388	1.3
69.03298	2.1
71.01258	70.6
72.99191	3.4
73.02824	18.8
75.00740	1.9
83.01231	7.5
85.02830	27.4
87.00748	5.3
89.01768	2.3
89.02318	46.0
95.01243	4.7
96.95879	2.2
97.02810	2.4
99.00771	8.5
101.02328	53.7
111.00812	1.8
113.02325	20.8
119.03395	8.2
124.01536	1.4
125.02333	6.1
131.03409	37.4
132.03735	1.8
143.03389	4.6
149.02332	1.5
149.04472	29.7
159.02855	4.0
161.04462	15.9
165.01772	1.9
177.01828	5.0
179.07045	2.6
183.02879	4.0
191.05635	7.4
211.28337	1.6
268.94376	1.5
381.22849	61.7
382.23300	8.0
410.29962	3.3
513.27039	100.0
514.27582	14.7
573.32794	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	574.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	100.0
63.90504	2.9
78.95781	13.7
90.32258	3.0
96.95883	23.1
99.71220	3.5
101.56137	3.5
123.04421	47.2
152.99467	9.0
153.05482	57.8
153.67909	3.6
169.98082	2.9
243.01714	3.6
256.23569	6.8
279.23245	11.6
448.93857	3.4
574.30566	24.5
575.30029	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	574.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97219	8.6
56.88958	10.2
61.98697	100.0
71.53734	9.3
83.60340	9.1
96.95892	30.9
102.63606	9.3
460.06693	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	574.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.6
61.98702	100.0
62.98405	0.2
70.56142	0.4
70.56526	0.4
71.01255	0.2
76.54986	0.2
78.18751	0.2
78.95770	0.2
89.02352	0.3
92.58318	0.2
98.01062	0.2
101.02354	0.3
102.88809	0.2
149.04405	0.2
178.69969	0.2
218.97151	0.2
430.49490	0.2
433.77408	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.12
Annotation	Robinetinidol-(2beta->7,4beta->8)-catechin
Peak:m/z	Relative Intensity
57.03323	12.1
59.01247	6.8
61.98693	7.3
65.00190	1.8
69.39339	12.7
71.01243	4.5
72.99174	1.9
73.56408	1.8
81.03330	2.9
83.01250	7.3
85.02834	2.3
93.03333	4.0
95.01256	2.2
95.04922	3.1
96.95911	3.7
99.04420	2.9
108.02023	3.1
109.02837	21.1
119.01217	1.9
121.02806	11.9
122.03616	2.7
123.04414	16.9
125.02345	92.7
126.02605	2.7
133.02855	4.2
135.00766	2.6
136.01537	4.0
137.02350	27.7
139.03853	3.8
145.02827	4.4
147.00786	4.0
147.04414	4.9
149.02339	16.1
150.03152	14.4
151.00288	5.2
151.03929	16.7
153.01822	3.4
159.04456	4.7
160.01591	2.3
161.02361	28.1
161.05971	4.0
162.02936	2.3
163.00288	25.8
163.03911	3.1
164.01073	13.5
164.04720	2.3
165.01839	23.1
165.05562	10.5
167.03384	5.3
171.04492	2.5
173.02426	3.4
174.03108	3.3
175.03947	17.0
176.00966	5.2
177.01863	14.7
177.05531	2.4
179.03481	3.9
179.06984	2.1
179.95679	2.2
180.04262	2.6
181.05048	2.3
183.06526	8.8
185.06042	2.2
187.03947	5.7
189.05501	4.1
195.04622	1.8
195.06499	9.5
197.06003	2.4
198.03163	3.0
199.03943	11.8
200.04633	2.2
201.01842	4.2
201.05518	2.9
202.06174	2.4
203.03439	5.4
203.07039	7.8
205.04984	7.4
211.03883	3.2
213.05527	4.9
215.03473	4.6
217.05080	11.8
218.93716	2.1
225.05522	2.5
225.07611	3.4
227.03456	4.8
229.04988	4.8
230.05681	2.0
231.02975	3.2
239.03542	3.3
241.05002	7.6
243.02931	12.3
245.04547	5.7
245.08203	8.9
253.04958	3.5
255.02962	7.4
256.03607	6.4
257.04630	9.2
268.03378	2.5
269.04517	4.5
271.02325	2.7
271.06107	2.3
281.04553	4.6
283.02448	3.9
283.05890	3.9
284.03183	3.3
285.04053	100.0
286.04373	8.6
287.02499	3.3
287.05585	15.9
288.06277	2.0
289.07181	66.1
290.07547	5.4
297.03973	5.5
298.04196	2.5
307.06143	12.0
327.05035	6.4
328.05493	3.0
343.11832	7.9
363.30206	2.2
387.04965	3.6
405.05811	2.6
407.07666	23.8
408.07861	4.1
411.06955	8.5
423.07236	38.3
424.07651	10.1
435.07297	2.8
447.07025	4.8
449.08780	57.1
450.08975	6.5
452.07513	20.8
453.07898	6.6
477.06320	2.7
513.12830	2.6
527.19141	4.3
539.09753	20.4
540.10242	4.7
557.10529	3.6
575.11957	59.1
576.12561	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	575.12
Annotation	Dehydrodicatechin A
Peak:m/z	Relative Intensity
56.40817	0.8
57.03317	4.9
59.01255	10.2
61.98701	14.9
67.35999	0.9
69.50966	2.4
69.51392	2.9
71.01260	5.3
71.04884	1.4
71.07283	0.8
73.02831	1.4
81.03326	2.9
83.01253	5.0
85.02816	2.1
87.00764	0.9
89.02303	3.0
89.27479	1.0
93.03325	1.8
95.01279	0.9
95.04905	2.0
96.95924	1.8
97.02834	1.7
99.04372	1.9
101.02339	3.2
108.01968	1.1
109.02837	6.9
111.00784	1.1
113.02353	1.7
117.03353	1.4
119.04851	1.2
121.02826	3.1
122.03651	4.2
123.00769	1.2
123.04415	8.3
124.01561	1.9
125.02341	29.5
126.02612	1.5
133.02811	1.5
135.04373	2.9
137.02345	24.0
138.02675	1.7
139.03868	2.3
143.04901	1.4
145.02835	3.3
146.03609	0.9
146.08124	3.1
147.04372	2.6
149.02338	3.5
149.04387	1.0
151.00293	1.3
151.03951	4.9
154.02592	1.3
159.04427	3.1
160.01601	2.0
161.02357	17.7
161.05989	1.2
162.03098	4.2
163.00282	1.8
163.03911	4.4
163.06035	1.6
164.01051	3.1
165.01884	6.8
165.05386	1.2
167.03406	3.5
171.04436	2.0
173.02344	1.5
173.05983	2.1
174.03194	1.6
175.00287	1.5
175.02473	1.1
175.03915	9.7
176.02341	0.9
176.04561	0.9
177.01883	2.0
178.99803	1.2
179.03416	1.8
183.04430	1.3
185.05945	1.5
186.03047	1.5
187.03961	5.5
188.04643	2.2
189.01846	1.8
189.05475	3.2
190.02577	2.4
191.03392	3.1
193.04961	1.3
197.06113	1.9
198.03160	1.5
199.03918	7.4
200.04736	1.3
201.01846	2.9
201.05487	4.0
202.02756	0.9
203.03494	4.7
203.06973	1.3
205.04944	5.4
206.95430	2.2
211.03952	2.4
212.04645	2.0
213.05481	4.3
215.03503	5.9
215.07028	1.1
217.05046	3.1
221.08165	1.1
223.06035	1.2
225.05409	1.7
227.03471	7.7
228.04131	3.5
229.01369	3.1
229.05009	10.6
230.02129	2.7
230.05569	0.9
231.02928	4.6
231.06534	0.9
231.97403	0.9
239.03419	3.4
239.07065	1.0
240.04251	1.9
241.05013	5.8
242.02177	5.8
243.02975	28.1
243.06589	2.2
244.03581	4.7
245.04558	5.2
247.06018	2.8
253.04875	1.1
254.05324	0.9
255.02951	5.6
255.06618	1.6
256.03607	5.0
257.04550	6.6
267.02866	1.6
267.12393	1.0
268.03622	1.9
269.04559	4.3
270.01639	1.3
270.05142	1.2
271.02481	29.9
271.05533	1.0
272.02878	3.2
273.03976	2.7
275.05646	3.3
280.03397	0.9
281.04391	1.7
283.02414	3.6
283.05896	1.0
284.03302	1.5
285.04077	5.3
286.04599	2.3
287.05612	11.5
289.07104	2.8
295.06082	1.0
297.03873	0.8
299.05576	1.0
326.04318	2.3
327.04901	1.7
389.75549	0.9
391.08344	1.1
393.09613	1.9
393.41666	0.9
394.06876	12.0
395.07620	1.4
405.09702	1.0
407.07724	6.8
409.09457	1.3
413.08832	2.0
419.03867	0.9
423.07104	3.8
424.07657	1.6
431.07462	2.3
437.08847	7.3
438.09222	1.3
449.08765	12.9
450.09039	2.3
453.08463	1.4
532.17755	1.2
557.11060	1.1
575.11908	100.0
576.12262	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	575.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.9
55.65651	0.7
57.03317	2.3
58.00467	3.2
58.18840	0.6
59.01250	100.0
60.01599	1.5
61.98706	2.8
62.10365	0.6
69.03342	1.1
71.01253	54.4
71.25476	1.2
72.99168	4.3
73.02811	5.2
83.01257	3.3
85.02821	8.4
87.00759	5.7
89.02316	81.0
90.02708	1.5
95.01286	1.6
96.03127	0.6
96.95898	2.2
97.02814	1.1
99.00774	2.4
101.02320	37.1
102.02647	0.8
111.00778	1.2
113.02337	15.6
119.03392	15.3
125.02346	3.1
129.01888	1.3
131.03398	52.6
132.03729	1.2
138.11058	0.6
143.03412	4.8
147.18034	0.7
149.04463	64.2
150.04820	2.1
157.77783	0.7
161.02408	0.8
161.04512	3.4
179.05525	9.7
191.05542	25.3
251.07828	1.8
260.69794	0.8
311.09909	0.9
383.24905	0.8
465.82269	0.8
515.28650	14.2
516.29291	2.7
575.26697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87772	1.4
56.76735	1.0
59.01250	17.8
61.98687	1.3
71.01257	5.3
73.02832	1.8
77.85156	1.0
78.95785	1.2
89.02336	3.8
95.01231	1.5
96.95889	2.4
98.19671	2.7
101.02332	4.5
113.02332	2.1
119.03359	1.4
125.02414	1.2
135.04414	8.7
172.00574	1.0
209.11725	3.1
230.50087	1.1
253.09312	12.4
277.21729	2.0
279.23285	100.0
280.23584	11.3
291.19733	3.7
291.22977	1.9
297.09665	3.0
315.10834	7.9
383.23813	1.3
575.31976	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	575.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59719	0.3
55.01757	0.4
59.01252	15.3
61.98682	0.8
63.45464	0.3
67.58294	0.3
70.87195	0.3
70.87531	0.5
71.01257	2.8
73.02805	0.9
74.19749	0.3
83.01268	0.3
85.02814	0.8
89.02308	2.1
95.01239	0.5
96.95887	0.6
101.02322	2.6
113.02323	1.1
119.03391	0.9
143.03387	0.4
161.04448	1.3
164.40135	0.3
186.62486	0.3
235.08208	1.5
253.09270	13.2
254.09650	0.7
270.40677	0.3
279.23285	100.0
280.23627	11.0
283.27478	0.3
436.96686	0.3
495.59677	0.3
503.15723	0.3
515.32928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93557	0.2
57.03339	0.3
59.01259	2.1
61.98706	100.0
69.82755	0.9
71.01262	1.4
73.02826	0.4
83.01246	0.2
85.02843	0.5
89.02313	1.0
101.02357	1.0
113.02350	0.4
123.04345	0.2
125.02362	0.4
131.03409	0.7
149.04501	0.5
161.04451	0.3
162.04869	0.2
173.41725	0.2
179.05617	0.2
191.05501	0.3
243.53679	0.2
275.86188	0.2
285.04233	0.3
289.07281	0.3
317.47110	0.2
347.67807	0.2
365.93716	0.2
383.24448	0.4
384.24545	0.4
449.94635	0.2
459.07489	0.2
516.29132	0.7
533.10938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.5
61.98705	100.0
69.56673	0.3
69.72982	1.7
71.01266	1.0
75.00755	1.3
76.72220	0.3
79.24110	0.3
83.24947	0.3
85.02853	0.5
89.02316	0.6
89.45210	0.3
90.39084	0.3
96.95924	0.5
97.02802	0.6
98.03164	0.3
101.02366	0.9
104.32343	0.3
113.02319	0.4
123.77718	0.3
125.02363	1.5
147.04469	0.4
151.03896	0.4
161.02351	0.5
172.75075	0.3
255.03073	0.5
285.04053	0.8
289.07187	0.5
297.61490	0.3
391.59464	0.3
533.11243	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.3
61.98705	100.0
70.14546	0.4
70.14874	0.4
71.01252	0.8
78.98472	0.6
79.95595	1.2
80.96394	7.3
80.96841	0.5
83.01245	0.2
87.00768	0.3
94.97954	1.6
122.97524	0.4
134.97479	0.4
136.98962	0.2
146.08371	0.2
148.99065	0.8
151.24893	0.3
152.98572	0.5
162.87654	0.3
164.98587	0.7
225.00740	1.4
277.21777	0.6
278.22195	1.0
279.22382	0.5
280.22580	0.3
510.27356	0.2
577.26874	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	576.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04338	0.1
58.59334	0.1
59.01236	0.2
59.86681	0.1
61.98704	100.0
70.56099	0.3
73.69658	0.1
80.96397	0.5
150.09633	0.1
172.91533	0.1
266.57657	0.1
277.21692	0.4
278.22131	0.6
279.22495	0.4
280.22852	0.2
398.85260	0.2
407.21881	0.2
504.48608	0.2
577.27228	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42363	0.2
54.73343	0.2
59.01252	20.5
69.23940	1.5
69.24352	0.4
72.41692	0.2
76.84406	0.2
78.95773	6.8
93.57117	0.2
104.94521	0.2
152.99510	1.3
168.04240	1.7
177.36180	0.2
224.06866	1.1
233.22748	0.4
242.07957	3.0
243.08087	0.2
259.20700	0.6
275.20004	0.6
277.21713	100.0
278.22052	10.5
338.71481	0.2
453.74091	0.2
502.29404	25.7
503.29764	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	576.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	29.7
60.01586	0.5
62.35870	0.4
71.01244	2.4
71.53940	0.5
73.02807	0.8
78.95779	29.6
78.98453	1.7
79.95615	3.2
80.96391	21.9
81.03272	0.5
81.22911	0.4
85.02811	1.1
87.00741	1.1
94.97964	4.0
96.95887	0.8
96.96861	0.6
97.02803	0.5
101.02333	1.0
106.97952	1.3
107.13536	0.4
122.97471	1.9
122.98322	0.7
125.02312	1.3
133.09215	0.4
134.97472	1.5
134.98369	0.5
148.99028	1.7
152.98375	2.1
152.99605	3.4
164.98564	3.7
166.57137	0.4
168.04240	4.6
182.99603	0.9
206.99725	1.0
221.28465	0.4
224.06883	9.6
225.00716	4.7
225.07329	0.4
233.22870	0.4
242.07907	2.3
243.01711	0.7
277.21716	100.0
278.22095	10.6
299.04358	0.6
319.97958	0.5
393.47000	0.5
502.29401	67.1
503.29724	11.0
577.26837	32.1
577.36401	0.6
582.24042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1351
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
52.74479	0.5
57.03325	13.2
59.01250	2.4
61.98705	1.7
64.20264	0.6
64.99817	0.7
69.03337	1.2
71.01250	1.1
81.03343	1.3
83.01262	4.1
83.04866	0.7
83.63316	0.6
89.02275	0.8
93.03351	1.6
95.01262	0.9
95.04907	1.7
96.95900	4.7
97.02832	2.6
99.04381	0.8
101.02317	0.9
107.04878	0.8
108.02018	1.2
109.02832	15.9
110.03210	0.6
111.00723	0.7
119.04939	0.7
121.02840	2.8
122.03629	1.9
123.04409	11.3
125.02337	100.0
126.02641	2.9
126.93706	0.6
127.07549	0.6
133.02861	4.0
135.04440	2.3
137.02348	20.4
139.03912	2.3
145.02888	0.7
147.04402	0.8
149.02356	4.6
149.04347	0.7
150.03096	1.9
151.00278	0.8
151.03917	9.2
159.04431	2.7
160.01595	0.8
161.02357	22.7
161.05997	3.9
162.03024	2.0
163.00273	1.2
163.03889	3.2
164.01054	4.6
165.01816	4.4
165.05496	1.2
167.03349	1.4
173.06042	0.9
175.03911	7.6
175.07574	1.0
176.04373	0.6
177.01865	4.6
179.03421	3.3
180.04170	0.7
181.04918	0.9
182.05367	0.7
184.05104	0.6
185.05940	0.9
187.03951	6.6
188.04713	2.3
189.05484	1.3
199.03979	1.1
201.05466	1.0
202.06313	1.5
203.03421	1.3
203.07068	8.2
205.01477	1.5
205.04964	6.7
211.03973	0.8
212.04742	0.7
213.05508	0.8
215.03470	0.7
217.05014	1.5
219.03036	1.3
221.08150	1.0
227.03442	1.3
227.07127	1.4
229.05075	2.6
230.05730	1.0
231.02939	0.8
241.44490	0.6
242.62300	0.7
243.02966	2.7
245.04536	3.1
245.08185	7.8
247.03668	1.2
247.06163	1.4
255.03000	6.0
256.03705	2.2
257.04514	1.8
269.04605	1.7
271.02362	0.7
271.06094	0.8
273.04083	4.4
281.04547	3.1
283.02368	0.9
285.04034	1.6
287.05673	6.2
288.05957	1.2
289.07178	54.0
290.07550	4.4
290.10211	0.9
297.04507	0.8
297.07709	0.8
299.02521	1.0
299.05606	5.7
300.02710	1.1
300.06024	0.8
331.08163	0.9
339.08792	3.0
381.09827	1.8
407.07703	36.9
408.08130	5.0
425.08792	15.4
426.09259	1.8
451.10287	8.0
452.10483	1.5
463.08878	1.0
559.12250	1.2
577.13129	7.1
577.28406	1.3
578.13776	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	577.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	13.2
65.03814	0.8
65.65173	0.8
67.76778	0.7
70.55740	1.3
70.56068	1.9
81.03352	2.0
83.01266	4.5
88.38145	0.8
93.03352	1.6
95.04900	1.7
97.02863	4.0
100.69490	0.9
107.04901	1.4
108.02052	1.9
109.02130	1.5
109.02842	16.1
109.03585	0.8
121.02846	2.3
121.84807	0.8
123.04435	11.6
125.02341	100.0
126.02698	3.2
131.04912	1.1
133.02843	5.4
135.04401	2.4
137.02351	20.2
138.02705	1.0
139.03912	3.7
146.03726	0.9
149.02388	5.3
150.03044	1.2
151.03914	11.5
159.04446	2.6
161.02348	26.6
161.05957	4.2
162.02960	2.5
163.00247	1.8
163.03865	3.5
164.01033	2.9
165.01817	3.9
167.03387	1.9
173.06020	1.1
174.03116	0.9
175.03908	7.7
176.01018	0.9
177.01881	5.6
177.05426	1.4
179.03395	4.0
183.04590	0.9
187.03961	7.5
188.04707	3.2
201.05518	1.1
202.06270	1.3
203.03442	1.2
203.07097	7.4
205.01349	1.4
205.04977	6.7
211.03926	1.4
213.05437	1.5
215.03474	1.1
220.42476	1.0
221.08076	1.2
227.03415	1.6
227.07111	1.9
228.04156	1.0
229.05087	2.4
231.03046	1.1
243.03027	3.2
245.04544	7.9
245.08197	10.5
255.02957	10.3
256.03635	5.0
257.04474	2.3
269.04532	1.6
273.04068	4.6
281.04492	2.1
283.02475	1.4
284.03278	1.2
285.04056	2.2
287.05637	9.3
288.02872	1.0
288.06030	1.1
289.07175	77.1
290.07516	7.0
297.07858	0.9
299.05603	6.4
300.06091	1.1
329.06494	1.1
339.04996	0.9
339.08731	3.9
342.36026	1.0
381.09836	3.7
407.07715	71.2
408.08002	9.8
425.08835	23.9
426.09180	4.0
451.10303	13.1
452.10739	1.9
498.58914	0.8
577.13501	6.9
578.13757	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	577.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	12.0
65.51275	0.7
69.03312	1.0
69.47681	3.1
69.48085	1.4
81.03334	1.4
83.01262	3.3
84.14690	0.6
88.47229	0.7
90.12930	0.7
93.03348	1.2
95.04899	1.6
95.99487	0.6
97.02827	2.4
98.20517	1.4
107.04956	1.3
109.02843	13.6
121.02855	2.2
122.03657	1.3
123.04417	10.1
125.02342	100.0
125.86977	0.6
126.02674	3.6
133.02869	3.3
135.04434	2.1
137.02347	17.6
139.03894	1.7
141.10889	0.7
149.02359	4.3
150.03172	1.2
151.03925	11.4
159.04471	1.7
160.05202	0.9
161.02350	21.3
161.05981	2.5
162.03027	1.9
163.00298	1.5
163.03951	3.1
164.01112	2.4
165.01859	3.5
167.03383	1.6
173.06010	1.0
175.03922	7.1
176.01039	0.7
177.01880	4.0
177.05467	1.2
179.03421	3.5
185.05960	0.9
187.03914	4.2
188.04684	1.9
189.05464	1.2
191.03462	1.4
201.05592	1.3
202.06274	0.9
203.03490	1.3
203.07071	6.6
205.01393	2.1
205.05002	5.4
211.03928	0.7
213.05360	0.7
215.03416	1.2
221.08150	1.2
227.03456	1.2
227.07010	0.9
229.05051	1.6
231.02983	0.9
243.02905	2.0
243.06641	0.9
245.04478	4.3
245.08171	9.4
247.06149	1.0
255.02902	3.8
256.03738	2.4
257.04529	1.6
259.06064	1.5
269.04617	3.5
273.04120	3.9
281.04559	1.9
283.02533	0.9
285.03922	1.7
287.05627	14.9
288.06149	2.2
289.07193	56.0
290.07538	4.6
299.05652	6.8
329.06772	1.3
339.08707	2.2
374.04037	0.7
375.39578	0.7
381.09995	2.2
403.87573	0.8
407.07687	40.7
408.07974	5.1
425.08774	15.6
426.09244	2.4
439.10583	1.4
451.10364	8.4
452.10736	2.3
559.12335	1.0
577.13580	6.9
578.14197	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	577.1354
Annotation	Procyanidin B1
Peak:m/z	Relative Intensity
57.03331	11.1
69.83504	3.6
69.83845	1.3
77.15022	0.9
81.03348	2.3
83.01273	4.4
93.03325	1.2
95.04890	1.2
97.02834	4.0
107.04938	1.1
109.02848	17.5
121.02859	2.3
123.04420	11.7
124.04738	1.2
125.02351	100.0
126.02682	2.9
133.02834	2.6
135.04463	1.7
137.02354	15.2
139.03937	1.9
145.12779	1.2
149.02351	5.8
151.03929	11.5
159.04442	2.5
159.69485	1.0
161.02382	26.5
161.05997	4.1
162.02811	1.5
163.00371	1.7
163.03902	2.0
164.01057	3.8
165.01805	6.5
167.03479	1.4
175.03935	8.2
175.07584	1.1
177.01927	5.2
179.03445	4.4
185.06091	1.4
187.03967	5.7
188.04787	2.8
201.05513	1.4
202.06297	1.6
203.03464	1.6
203.07063	8.9
205.01395	2.5
205.05064	7.5
206.05563	1.3
215.03622	1.2
227.03603	1.5
227.07014	1.2
229.05101	2.4
243.02989	2.8
245.04623	5.3
245.08237	15.2
246.08630	1.5
247.06020	2.0
253.05170	1.1
255.02966	6.7
256.03818	5.3
257.04550	1.4
269.04459	2.4
271.06116	1.6
273.03976	3.7
281.04581	3.2
283.02490	1.8
285.04037	2.1
287.05591	7.7
289.07220	75.4
290.07632	6.1
299.05667	7.2
312.13223	1.1
329.06445	1.2
339.08707	3.9
351.60397	1.2
381.10101	3.6
407.07758	59.1
408.08170	7.3
425.08826	20.6
451.10379	13.6
458.26254	1.0
577.13379	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	577.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	15.6
67.29100	0.6
69.83863	2.3
81.03322	1.8
83.01255	5.0
93.03344	1.6
95.01260	0.7
95.04904	2.0
97.02830	4.9
105.03306	0.6
107.04881	1.5
108.02037	1.1
109.02836	21.4
117.03360	0.6
119.04877	0.8
119.36448	0.5
121.02869	3.4
122.03638	1.3
123.04414	15.3
124.04823	0.5
125.02343	100.0
126.02701	3.3
131.04900	1.2
133.02849	4.2
135.04433	2.2
137.02348	21.7
139.03954	3.4
143.04968	0.6
145.02852	1.7
146.03645	1.0
147.04428	0.7
148.01633	0.7
149.02353	6.7
150.03069	1.8
151.03918	13.1
159.04439	3.4
160.05196	0.9
161.02361	28.2
161.05966	4.5
162.03137	2.5
163.00229	2.9
163.03922	3.3
164.01076	4.7
165.01828	5.0
167.03433	1.7
173.05968	0.9
174.03099	1.5
175.03926	9.7
175.07567	1.3
176.04382	0.7
177.01866	6.3
177.05431	1.1
179.03464	4.1
183.04509	0.7
185.06027	1.4
187.03958	7.7
188.04779	3.8
189.05466	1.5
191.03365	0.6
193.05043	0.9
199.03990	1.2
199.07616	0.9
201.05511	2.1
202.06346	1.9
203.03432	1.7
203.07112	12.5
205.01408	2.9
205.05031	10.0
206.01888	0.6
211.04005	2.0
212.04694	0.8
213.05470	0.9
215.03435	2.0
215.07111	0.7
217.05000	2.1
219.02936	0.5
221.08133	2.4
225.05644	1.0
227.03471	1.8
227.07060	2.0
228.04240	1.6
229.04962	3.3
230.05785	0.8
231.06480	1.3
243.03003	2.6
243.06644	1.2
245.04553	4.8
245.08157	12.7
247.06139	2.2
253.05223	1.2
255.03014	8.5
256.03766	5.9
257.04538	1.1
259.06143	0.9
269.04532	2.1
271.06268	0.7
273.04025	3.9
281.04510	4.0
283.02557	2.2
285.04071	2.7
287.05560	7.2
288.02963	0.7
288.06091	0.9
289.07190	62.9
290.07550	5.1
297.04288	0.6
297.07599	1.0
299.05600	5.0
329.06650	1.7
339.08600	3.9
381.09860	1.6
407.07727	50.3
408.08032	6.4
425.08823	17.9
425.14639	1.1
426.09164	2.9
451.10309	9.5
452.10669	1.5
577.13281	4.8
578.14008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62138	0.9
57.03326	23.6
65.03814	1.2
69.03305	1.3
71.02464	1.5
81.03328	3.4
83.01263	7.2
93.03337	3.1
95.01249	0.9
95.04908	3.6
97.02821	6.0
107.04948	1.3
108.02020	0.9
109.02843	26.7
109.98266	0.8
121.02853	4.8
122.03637	2.0
123.04409	20.7
124.01566	1.3
125.02342	100.0
126.02655	3.6
131.04977	0.8
133.02858	6.7
135.04456	3.1
136.03319	0.9
137.02344	22.9
138.02980	1.3
139.03889	5.4
143.04991	1.2
145.02876	1.0
146.03633	1.7
147.04399	1.6
149.02348	7.7
150.03111	2.3
151.03915	16.0
158.03534	0.9
159.04475	4.9
160.05153	1.7
161.02356	28.6
161.06026	4.5
162.03056	3.8
163.00293	3.2
163.02710	0.8
163.03905	4.8
164.01028	5.8
165.01825	6.7
167.03459	1.8
172.50999	0.9
173.02342	1.0
173.05949	2.0
174.03136	2.1
175.03914	11.2
175.07462	2.0
177.01830	5.9
177.05513	1.2
178.02626	0.9
179.03407	4.6
183.04419	0.9
185.05960	1.3
187.03972	8.1
188.04776	4.5
189.01898	1.0
189.05461	1.9
191.03508	1.0
201.05522	2.9
202.06242	2.4
203.03398	2.1
203.07114	12.5
205.01286	3.6
205.05023	7.4
211.03960	2.5
213.05463	2.3
214.02699	1.0
215.03485	2.1
217.05032	1.6
219.02979	1.0
221.08080	2.3
225.05583	1.0
227.03505	2.0
227.07043	1.9
228.04161	2.2
229.05084	3.9
230.05531	1.4
231.02849	0.9
243.02985	3.2
245.04518	3.8
245.08168	11.8
246.08427	1.4
247.06169	1.6
255.02957	10.9
256.03659	6.8
257.04361	1.4
273.03998	2.8
281.04538	3.6
282.01776	1.0
283.02469	1.7
285.04141	2.4
287.05591	3.4
289.07199	31.7
290.07581	2.9
299.05627	2.5
339.08762	2.3
389.06558	0.9
407.07709	27.3
407.64227	0.8
408.07941	4.2
425.08746	7.3
426.09033	1.1
451.09912	4.4
452.10803	1.0
531.01355	0.9
577.13422	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	577.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	8.1
69.84334	2.8
81.03310	1.0
82.34911	0.8
83.01263	1.9
91.05560	0.7
97.02818	1.5
98.20504	1.0
109.02844	11.8
112.72929	0.8
121.02849	2.3
123.04418	8.1
125.02342	100.0
126.02666	2.8
133.02827	1.5
135.04395	0.8
137.02339	17.9
139.03889	2.7
149.02345	5.8
151.03923	12.0
159.04384	1.7
161.01077	1.7
161.02374	26.0
161.05954	3.6
162.03062	2.7
163.00279	1.7
163.03896	2.5
164.01028	3.0
165.01845	6.0
167.03421	1.8
175.03909	9.1
175.07541	1.0
177.01862	5.4
177.05540	1.2
179.03412	5.5
179.81924	0.8
187.03935	6.1
188.04712	1.8
189.05475	1.1
201.05513	1.6
202.06190	0.9
203.03470	1.6
203.07106	9.7
205.01367	2.3
205.04976	8.6
214.02695	0.9
215.03458	2.2
217.04977	2.1
221.08116	1.7
227.07098	2.1
229.04964	3.5
231.02876	1.4
243.02924	3.0
243.35202	0.9
245.04515	6.9
245.08177	14.6
247.06122	1.5
255.03030	5.8
256.03741	5.1
257.04514	1.9
261.24625	0.9
269.04492	3.6
273.04175	4.6
281.04544	4.7
283.02454	2.1
284.03394	1.1
285.04135	4.0
287.05643	9.8
288.06085	1.4
289.07190	77.4
290.07516	5.4
297.04123	1.3
299.05591	5.9
302.40201	0.9
329.06894	1.9
339.08899	4.6
340.08945	0.9
357.93039	1.0
381.09683	2.6
389.06644	1.6
393.88184	0.9
407.07693	72.4
408.08020	11.1
425.08804	26.4
426.08835	3.3
433.09106	1.2
451.10428	14.4
452.10764	1.7
538.97882	0.9
577.13416	7.1
578.13788	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	577.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	16.8
58.43633	0.8
69.03338	0.9
69.49974	5.7
81.03333	1.9
83.01268	4.5
89.03851	0.9
93.03329	2.1
95.04894	2.5
97.02844	5.0
108.02073	1.3
109.02843	16.1
121.02841	4.1
122.11702	0.9
123.04424	13.8
123.23727	0.7
125.02344	100.0
126.02715	4.5
133.02869	4.1
135.04404	2.4
137.02344	21.9
137.03316	1.7
139.03908	2.9
145.02840	1.9
147.04469	0.8
149.02382	5.7
150.03116	1.4
151.03926	10.2
159.04385	2.2
161.02354	25.2
161.05966	4.0
162.03000	2.5
163.00323	1.5
163.03938	2.4
164.01074	5.4
165.01810	3.8
167.03526	0.8
175.03941	7.8
175.07559	1.9
177.01805	4.6
177.05457	1.6
179.03407	2.7
181.41742	0.9
187.03944	5.7
188.04666	2.3
188.25813	0.8
189.05585	1.0
201.05536	1.9
203.07043	7.9
205.01422	1.5
205.04990	5.6
213.05507	1.0
214.02573	0.9
217.04968	1.0
221.08076	1.3
227.03526	1.2
227.07149	0.9
228.04112	1.0
229.05022	2.9
243.02928	1.3
245.04529	2.3
245.08199	8.5
246.08453	1.5
255.03036	4.8
256.03616	3.1
257.04480	1.4
259.70743	0.8
271.06049	1.2
273.04050	3.6
281.04681	1.8
285.04123	1.4
287.05667	6.0
289.07202	49.9
290.07565	3.3
299.05743	4.2
339.08707	2.3
381.09937	1.2
407.07724	35.7
408.08002	3.7
425.08844	14.2
426.09235	1.5
451.10352	8.6
452.10739	1.7
569.30170	1.0
577.13562	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	577.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.1
60.18160	0.3
61.98425	0.5
61.98709	5.5
63.02244	0.9
65.00188	0.6
73.02795	0.7
83.01256	1.1
91.01827	0.4
93.03335	2.4
95.01257	0.5
101.02337	0.5
107.01279	3.0
108.02056	0.4
109.02825	0.8
117.03362	5.2
119.04928	12.9
120.05265	0.4
121.02837	0.5
123.04459	0.5
125.02322	1.6
132.02069	1.2
135.00780	1.4
137.02333	1.0
143.04922	1.5
145.02859	18.9
146.03223	0.8
148.01569	0.5
151.00279	5.1
153.01855	0.7
156.05696	0.4
157.06519	0.9
159.04428	1.5
161.02368	0.7
161.05933	0.5
163.00291	2.8
163.03922	7.0
164.01031	0.8
167.04924	0.7
169.01379	0.6
169.06566	1.0
171.04446	0.9
175.00426	0.5
177.01859	0.7
183.04442	0.9
185.06004	2.7
187.03925	3.5
189.05440	0.9
190.02666	1.3
195.04375	0.6
196.05281	0.5
197.06044	1.1
198.03210	0.4
199.03935	1.1
201.05505	0.5
205.04987	1.3
211.03899	2.9
213.05533	1.8
227.03458	27.6
228.03860	2.0
229.05017	10.4
230.05431	0.5
239.03439	1.5
240.04134	0.8
241.05002	1.5
255.02965	44.3
256.03531	6.4
257.04523	7.7
267.02853	0.5
268.06674	0.4
283.02383	0.5
284.03268	45.6
285.04028	100.0
286.04379	8.3
291.08722	6.0
337.02795	0.4
350.13727	0.6
365.16205	2.3
374.46750	0.4
413.08636	0.6
431.09866	1.3
533.11133	0.6
577.13513	51.8
577.27283	1.6
578.13892	10.1
578.23059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16850	0.3
59.01249	1.0
61.98713	2.1
63.02262	0.6
65.00205	0.4
69.34757	1.1
69.35184	0.7
71.01240	0.6
78.07181	0.3
83.01263	0.6
85.23922	0.2
91.01782	0.5
93.03342	2.2
101.02333	0.5
101.05163	0.2
107.01267	2.1
109.02840	1.5
113.02282	0.4
117.03341	1.8
119.04927	2.8
121.02877	0.3
123.04448	0.3
130.04152	0.3
131.04965	0.4
135.00797	1.4
139.94666	0.2
141.07031	0.4
143.04935	1.3
145.02859	3.8
145.06496	0.3
151.00267	1.2
153.01880	0.5
154.04120	0.5
156.05713	0.3
157.06483	1.2
159.04440	2.4
161.02417	0.4
161.04457	0.6
163.00281	2.2
163.03902	1.3
165.01938	0.6
167.04935	0.8
169.06482	1.1
171.04424	1.2
173.06030	0.4
182.03618	0.3
183.04433	0.9
185.06029	3.3
187.03943	3.4
188.04222	0.3
189.05510	1.3
195.04398	1.4
196.05223	0.5
197.02199	0.3
197.06007	1.4
199.03967	1.3
201.05524	0.6
205.05069	0.5
211.03967	2.8
212.04402	0.4
213.05507	2.1
214.02753	0.5
215.03413	0.4
223.03964	0.4
227.03462	9.8
228.03902	0.5
229.05045	14.3
230.05370	1.1
237.09760	1.6
239.03474	1.9
240.04166	1.2
241.05029	2.0
243.03062	0.4
244.03183	0.3
255.02997	12.8
256.03647	2.4
257.04572	7.5
258.04828	0.5
267.02936	1.2
283.02496	1.9
284.03259	10.2
285.04050	100.0
286.04388	8.5
291.08722	0.8
344.54059	0.3
357.26526	2.8
413.08533	1.3
431.09698	0.9
533.10760	0.4
559.19135	0.4
577.13513	11.5
578.13843	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	577.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.9
57.03325	0.9
59.01254	100.0
60.01589	0.9
61.98709	1.7
69.23970	0.3
69.24375	1.6
71.01257	12.3
72.99178	0.5
73.02825	3.9
83.01271	1.8
84.27731	0.2
85.02827	5.5
87.00739	0.4
89.02325	3.6
95.01278	0.8
97.02858	0.4
98.20610	0.4
99.00751	1.2
99.02235	0.2
101.02326	10.5
102.02667	0.4
103.99909	0.2
113.02332	5.9
119.03397	1.6
123.04439	0.3
125.02367	0.8
129.01848	0.5
135.43256	0.2
137.02307	0.2
137.50195	0.2
143.03421	0.7
151.03871	0.2
159.02916	1.3
160.01692	0.2
161.02472	0.3
161.04468	6.8
163.04059	0.4
175.03955	0.3
190.02670	0.2
255.03188	0.3
285.04129	0.3
332.55582	0.2
357.26419	0.3
365.16238	0.2
406.65045	0.3
407.07825	0.3
450.14874	0.2
517.17133	1.8
518.29443	0.2
577.26062	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
59.01267	1.1
63.96112	1.1
66.22961	0.4
67.67072	0.4
69.03338	0.7
69.86881	1.6
71.01260	7.9
73.02828	1.8
78.98467	5.9
79.95612	11.6
79.96085	0.6
80.96394	78.1
81.03309	0.6
85.02833	3.1
86.36619	0.3
87.00758	3.1
88.16328	0.4
93.52910	0.3
93.97166	0.6
94.97968	16.8
95.01270	0.5
96.95894	1.1
97.02814	1.7
98.19923	0.5
99.00768	0.7
101.02319	3.3
106.68330	0.3
106.97972	3.5
113.02362	0.5
122.97477	7.2
125.02345	3.5
127.03897	0.8
134.97475	5.3
136.99045	1.2
146.97496	0.5
147.72816	0.3
148.99059	7.2
152.97392	0.7
152.98547	7.3
164.98547	11.6
167.00119	0.6
182.99672	2.9
194.00568	0.3
206.99637	3.3
225.00703	17.8
226.00996	0.9
236.27205	0.3
243.01808	2.3
245.68028	0.4
255.57726	0.3
277.21811	2.4
299.04459	2.8
397.11371	0.4
506.87634	0.4
515.20172	0.5
573.86951	0.4
577.26880	100.0
578.27228	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	577.269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72237	0.4
51.54544	0.3
57.03308	0.5
59.01251	8.3
61.98698	1.9
63.96132	1.0
66.45351	0.3
69.03325	0.9
70.82837	1.0
71.01252	7.7
73.02811	1.6
78.95783	6.5
78.98458	6.2
79.95605	10.5
80.96394	72.3
81.03333	0.7
85.02825	3.4
87.00759	2.9
94.97964	15.3
96.95879	1.2
97.02845	1.8
99.00751	0.7
101.02333	2.5
106.97968	4.0
113.49602	0.4
122.97461	3.3
125.02322	3.0
127.03894	0.8
134.97479	4.7
136.99042	1.6
146.97507	0.5
148.99033	6.3
152.98523	5.9
152.99524	0.5
161.66716	0.4
164.98547	12.1
168.04189	1.1
202.66951	0.4
206.99701	2.3
209.11662	0.9
224.06940	2.5
225.00699	12.0
226.01074	0.8
242.07986	0.5
277.21725	2.0
279.23291	33.1
299.04391	2.4
504.31000	23.5
577.26874	100.0
578.27179	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	577.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.2
63.96096	1.0
66.90402	0.5
69.03311	0.4
70.82449	0.8
70.82822	0.8
71.01255	6.7
73.02829	2.2
74.96090	0.3
78.98460	5.5
79.95610	11.3
79.96091	0.6
80.96393	73.4
81.03314	0.6
85.02827	2.3
87.00755	2.3
94.97965	15.7
96.95904	0.8
97.02837	1.6
99.04459	0.5
101.02330	3.0
106.97972	3.4
113.02275	0.5
122.97466	5.2
125.02340	3.5
127.03891	1.3
128.47495	0.4
134.97476	5.1
136.99016	0.8
146.97523	0.7
148.99054	6.8
152.98547	7.4
161.21855	0.5
164.98549	11.2
167.00078	0.7
182.99623	2.6
206.99658	2.4
225.00706	16.3
241.12885	0.4
242.95406	0.4
243.01767	1.6
265.69119	0.4
277.21680	1.9
299.04422	2.9
311.56595	0.5
426.44568	0.4
525.28870	0.4
577.26874	100.0
578.27197	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	577.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08879	0.9
55.01767	1.3
57.03318	2.2
59.01253	100.0
61.98702	49.0
66.24043	0.9
69.20478	9.4
71.01258	17.0
72.99145	2.0
73.02811	3.0
75.00739	1.8
76.35319	1.0
83.01262	3.3
85.02831	7.8
87.00784	1.2
89.02312	4.0
92.40845	0.9
95.01289	1.8
96.95863	1.5
99.00729	1.7
101.02338	11.4
108.01148	0.9
109.02845	1.5
111.00793	1.0
113.02339	7.2
113.69196	1.0
119.03402	1.6
119.04932	1.8
123.04418	2.0
125.02364	6.2
135.04471	1.4
137.02368	3.2
145.02869	2.7
148.01480	0.9
149.02368	1.5
149.05994	1.6
150.03152	9.6
151.03963	2.1
159.02902	1.1
161.02336	1.8
161.04468	8.1
163.03883	4.5
167.03354	1.2
175.03990	1.1
177.01884	7.0
178.02591	3.8
188.45668	1.0
190.02699	1.5
191.03415	2.8
193.05046	8.9
194.05328	1.1
209.11790	1.0
213.18419	1.0
227.03432	1.6
245.08122	1.2
255.03178	4.5
281.56854	1.1
284.03265	4.2
285.04102	6.9
286.04700	1.2
289.07178	4.2
355.28696	1.3
357.26294	2.4
359.28137	1.4
365.15952	14.1
366.16461	2.7
407.07758	1.6
455.07913	0.9
499.32495	1.7
517.33826	92.7
518.34283	15.3
533.10992	3.9
538.41125	1.0
577.13245	3.8
577.25934	2.1
578.13531	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	577.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81484	1.0
53.84680	1.1
57.03316	4.3
58.71645	1.1
59.01251	100.0
61.98705	97.9
61.99069	1.7
61.99167	2.0
62.98399	1.3
71.01249	17.9
71.54549	1.3
72.99183	1.3
73.02805	4.5
75.00725	2.2
81.41534	1.2
83.01228	3.0
85.02818	6.9
87.00748	2.2
89.02301	5.8
95.01231	1.5
101.02326	11.8
109.02785	3.7
113.02324	3.6
119.03351	1.7
123.04430	2.7
125.02350	11.3
127.73995	1.1
131.03358	1.4
132.02135	1.5
137.02306	3.9
139.03943	1.7
145.02794	1.3
151.03899	3.4
159.04291	1.2
161.02278	4.2
161.04448	5.6
187.03954	2.2
190.02559	1.5
193.73065	1.2
213.18484	1.4
227.03444	3.0
227.35103	1.3
229.04918	1.6
231.91310	1.3
245.04283	1.3
255.02940	4.6
256.03506	1.8
261.09012	1.2
284.03220	4.6
285.04010	11.8
289.07266	7.5
407.07657	3.8
441.05994	1.3
517.33826	88.4
518.34283	13.3
533.10645	7.1
534.11481	1.7
541.46765	1.6
577.13397	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	578.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.4
61.69533	0.3
61.98705	100.0
69.27708	2.4
71.01268	0.5
83.71660	0.3
89.02328	0.5
145.02859	0.7
227.03491	0.8
228.03720	0.6
230.05330	0.3
255.03098	1.2
256.03430	1.0
257.04617	0.4
284.03360	1.1
285.03918	3.8
286.04382	2.6
328.43170	0.4
534.11206	0.7
578.13898	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	578.348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	18.5
61.98705	63.5
62.94659	0.7
62.98411	0.9
63.99127	8.8
67.02158	0.8
68.54101	0.7
71.01254	5.3
73.02820	1.3
78.95783	6.4
78.98465	4.6
79.95612	8.8
80.96393	57.0
81.95178	1.0
81.96310	2.3
82.95991	4.7
84.40293	0.7
85.02789	1.8
87.00762	2.2
94.97971	11.6
96.95880	1.0
96.97508	1.1
97.02814	1.0
99.00696	1.0
101.02348	1.9
101.40465	0.9
106.97993	2.1
121.02827	0.7
122.97468	3.4
125.02348	2.2
134.97461	3.6
148.99063	5.1
152.64992	0.8
152.98483	3.7
152.99593	1.5
153.98877	0.8
164.98552	6.7
165.98866	1.2
166.98064	1.1
167.89079	0.8
168.04219	1.4
206.99593	1.8
225.00710	8.1
226.01010	2.8
242.07974	3.6
245.01395	0.8
248.58688	0.8
277.21851	1.1
278.22116	1.2
279.23291	100.0
280.23608	10.1
299.04379	1.2
324.11179	0.8
504.30963	22.7
505.31259	4.0
534.11249	1.7
578.27173	79.1
579.26929	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51479	0.4
59.01254	22.3
63.96126	0.4
70.84600	1.0
71.01260	1.8
74.37539	0.4
78.95779	20.8
78.98474	1.9
79.95600	2.6
80.96394	16.9
81.96321	0.6
82.95993	1.7
83.42885	0.4
85.02824	0.8
87.00760	0.6
94.97968	4.3
96.97562	0.5
102.62029	0.4
106.97949	0.6
122.97495	0.7
125.02326	0.7
134.97461	1.2
136.99055	0.4
148.99042	1.2
152.98425	0.5
152.99547	2.4
164.98514	2.8
165.98827	0.7
166.98012	0.4
168.04242	3.3
207.98071	0.4
224.06886	9.3
225.00674	2.5
226.01083	0.9
227.00366	0.5
242.07912	2.1
279.23288	100.0
280.23648	8.6
362.12375	0.4
424.05045	0.5
504.30981	58.1
505.31265	8.8
578.27179	25.1
579.27026	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	579.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.6
61.98704	0.6
63.02270	0.6
69.51826	0.9
69.52233	1.4
72.99172	0.6
83.01264	0.8
85.02820	1.2
89.02303	0.5
93.03353	0.5
101.02319	0.7
105.41690	0.4
107.01251	1.8
108.02068	0.6
111.00734	0.5
113.02312	0.4
123.04406	5.6
125.02341	0.8
131.03445	0.4
132.02052	1.2
135.00786	1.1
143.81859	0.4
149.02385	0.5
150.55597	0.4
151.00279	2.7
152.01036	0.7
153.01791	0.5
153.05486	8.4
159.04433	0.4
160.01555	0.6
163.00298	1.2
175.03925	1.0
178.99733	1.9
183.04431	1.1
185.05969	0.6
187.03949	1.0
189.05533	0.7
193.05008	0.6
195.06244	0.4
199.03893	0.7
211.03978	1.9
211.05960	0.7
227.03447	38.6
228.03827	2.9
229.05029	3.0
239.03531	1.5
240.04222	0.6
241.07137	0.9
243.03004	0.7
255.02966	67.2
256.03528	10.5
257.04498	2.7
267.02869	0.4
271.02512	2.7
272.02826	0.4
281.13791	0.5
283.02527	1.4
284.03256	100.0
285.03903	28.4
286.04364	1.8
300.02722	5.5
301.03238	0.9
315.01553	0.7
315.10995	0.7
327.05038	1.1
337.09314	0.5
383.99832	0.4
427.15652	0.4
429.08228	1.4
447.09186	2.1
579.13544	79.4
580.13916	14.3
580.21417	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05413	0.4
57.03344	0.6
59.01258	2.7
61.98707	0.6
62.35899	0.4
63.02262	0.5
65.00214	0.5
65.16270	0.4
69.59010	1.2
69.59442	1.6
71.01247	2.4
72.99193	0.9
73.02833	0.6
82.63499	0.4
83.01271	0.6
85.02841	1.5
87.00755	1.0
89.02339	1.4
101.02316	0.7
107.01280	1.7
108.02061	1.4
111.00787	0.5
121.02872	1.0
122.05952	0.4
125.02437	0.5
133.02870	3.8
135.04419	1.6
137.02341	0.6
148.01543	1.1
151.00299	4.0
161.02364	10.8
162.02763	0.9
163.00311	1.2
164.01045	0.4
165.01875	0.4
166.06314	0.9
175.03917	0.9
178.99815	3.0
179.03421	0.9
181.08615	0.5
183.04584	0.4
190.02600	0.5
193.01385	0.8
193.05011	1.9
199.04047	0.7
203.03471	0.4
205.05006	0.5
208.03737	1.4
211.05992	0.7
223.06052	1.5
226.02608	1.1
227.03407	2.3
243.02980	9.7
244.03360	0.9
254.02184	1.6
255.02975	23.7
256.03409	2.6
271.02484	52.4
272.02899	5.5
284.03305	1.1
285.03937	0.9
295.08185	0.5
299.02048	2.0
300.02753	100.0
301.03241	13.2
304.99258	0.4
356.94092	0.5
364.92242	0.4
399.03268	0.4
420.51865	0.5
579.13483	60.5
579.21112	4.1
580.13831	10.0
580.21661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07397	0.4
53.07683	0.4
59.01251	14.6
61.98706	2.3
63.02258	0.5
63.89890	0.4
65.00199	1.3
69.37778	2.1
69.38197	1.3
71.01252	6.8
72.99186	1.6
73.02826	1.3
74.02352	1.2
79.15331	0.5
83.01263	1.0
85.02832	3.0
87.00750	0.6
89.02318	4.1
93.03335	1.2
94.87357	0.4
95.01322	0.6
96.95895	0.8
99.00778	0.9
99.29548	0.4
101.02309	3.1
101.49474	0.5
107.01268	1.8
107.01910	0.5
108.02054	2.0
109.02847	3.5
111.00764	0.8
113.02326	1.3
113.03501	0.5
113.61520	0.5
114.93305	0.7
115.00259	0.5
115.03908	0.8
116.03419	1.0
117.03360	0.6
119.01335	0.4
119.03388	0.5
121.02835	2.8
122.03635	0.5
123.00803	0.9
123.04383	1.3
124.01576	1.1
125.02334	1.5
126.74065	0.5
131.03441	1.2
133.02869	2.3
134.03636	1.0
135.00764	1.5
135.04416	1.1
136.01564	12.6
137.02350	2.9
139.03870	0.6
145.02844	1.3
148.01593	1.7
149.02405	0.6
149.04449	1.8
150.03217	0.6
151.00298	6.2
151.03912	19.0
152.01048	0.9
152.04433	0.8
153.00702	0.7
153.01839	3.0
153.05472	1.6
161.02357	6.3
161.04483	1.6
163.00423	0.9
163.03897	1.7
164.01125	0.9
165.05498	0.6
166.02615	4.9
166.06235	0.6
167.03407	0.8
169.01353	0.7
175.03893	1.6
175.07471	0.8
176.04724	0.7
177.01758	0.7
177.05496	0.8
178.99808	3.0
179.03401	1.2
181.04988	6.4
187.03955	0.7
190.02602	0.6
190.69617	0.5
191.01880	0.9
191.05487	0.6
193.04973	1.2
199.03879	0.8
210.00769	0.5
211.03914	0.6
211.11951	0.5
215.03441	0.7
223.06058	0.6
226.02690	1.7
227.03476	2.5
243.02960	10.7
244.03372	1.4
245.04489	0.6
254.02151	1.5
255.00233	0.8
255.02975	24.9
256.03333	2.4
271.02472	56.0
272.02914	6.4
273.03790	0.5
289.07214	0.9
295.08203	0.5
299.01944	1.7
300.02744	100.0
301.03299	17.0
302.03735	0.9
341.06772	0.6
342.11014	3.2
343.11465	0.5
347.64005	0.5
356.52023	0.6
357.13422	29.3
358.13773	3.1
387.10565	3.3
387.19534	0.4
402.13028	1.3
417.10178	1.0
417.15543	13.3
418.15665	1.0
441.98178	0.5
447.09122	0.9
470.24530	0.7
579.13489	69.4
579.21198	3.9
580.13818	13.3
580.22723	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.151
Annotation	leufolin B
Peak:m/z	Relative Intensity
57.03325	2.2
59.01254	7.2
61.98705	34.3
63.02272	2.5
65.00196	9.0
68.99690	0.6
71.01257	6.0
72.99179	1.2
73.02808	1.6
75.00356	0.7
75.00751	9.1
81.03340	0.8
83.01266	6.1
85.02816	2.1
87.00757	0.8
87.04375	0.5
89.02309	2.9
92.22659	0.5
93.03336	6.0
95.01259	1.0
96.95906	0.6
97.02827	1.0
98.20576	0.9
99.00750	1.2
101.02317	3.7
101.05965	2.4
102.19903	0.5
107.01273	13.1
108.02090	1.2
109.02835	2.5
113.02327	2.5
117.03357	6.8
117.76096	0.5
119.04922	33.2
120.05247	1.7
121.02847	1.5
123.04403	7.0
125.02342	9.6
131.03441	0.5
132.02081	0.6
133.02843	3.6
133.06430	1.1
134.03609	0.7
135.04408	1.8
137.02356	1.5
139.03952	1.1
143.03380	0.6
143.04985	0.6
145.02855	23.3
146.03178	1.0
149.02309	1.5
150.03125	0.5
151.00281	46.6
152.00742	2.5
153.01822	1.2
153.05469	1.8
157.45845	0.5
160.01585	0.9
161.02359	9.2
161.04530	1.0
161.06007	2.2
162.02879	0.6
163.03915	4.7
164.01122	0.8
165.01881	3.2
167.03413	13.3
167.07028	1.1
169.01340	2.2
175.00311	3.6
175.03943	1.0
177.01836	6.7
179.03441	1.2
179.10704	1.0
181.04980	0.6
185.06000	1.8
187.03935	2.2
189.01814	0.8
190.02657	2.2
191.03362	1.6
193.01314	0.8
193.04945	0.7
198.06787	0.5
205.04988	3.1
211.05800	0.5
212.25047	0.4
217.12039	0.5
219.05005	0.9
221.08131	0.6
223.06143	0.6
227.07086	2.7
229.04935	0.7
237.06018	0.9
243.91344	0.6
259.06146	2.2
265.07178	2.2
269.04520	2.0
270.04755	0.6
271.06125	100.0
272.06433	7.7
287.05573	1.2
295.06207	2.7
307.08255	12.4
307.11835	0.6
308.08569	1.4
313.07135	1.4
359.27979	6.8
360.28293	0.8
406.73251	0.5
416.98758	0.5
433.11096	0.9
433.28180	0.6
459.09955	0.6
519.31018	0.9
579.14911	7.6
579.27191	9.7
579.34100	13.3
580.15399	1.0
580.27838	1.9
580.35938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40246	0.6
59.01262	1.1
66.80796	0.5
66.93122	0.6
71.01256	2.3
73.02821	0.7
74.91109	0.5
75.00708	0.5
78.04512	0.5
83.13572	0.5
85.02826	0.9
94.46148	0.5
95.01265	0.8
96.95885	0.5
98.20555	2.0
101.02324	1.3
109.02860	2.0
113.02419	0.5
121.02821	0.7
123.00816	2.7
124.01624	0.6
125.02348	0.9
137.02342	9.3
139.00302	0.6
139.03918	0.8
149.02406	1.3
150.03087	0.9
151.00270	16.9
151.03851	1.1
152.01076	1.1
152.04712	2.3
153.01974	0.7
165.01808	1.1
166.02634	51.9
167.03247	3.7
175.03912	1.6
177.01886	2.3
178.02637	0.9
181.04993	71.9
182.05301	2.8
184.03719	1.0
190.06273	1.0
191.03397	1.0
192.04248	1.4
193.05025	1.6
205.05064	1.0
205.08760	0.8
207.06534	1.2
218.05611	0.7
241.14349	0.6
255.02980	1.4
271.02441	2.8
272.02829	0.8
300.02771	7.4
301.03329	1.2
359.11539	1.6
371.15100	0.9
387.10834	14.7
388.11234	1.8
402.13251	7.3
403.13617	1.0
417.15549	100.0
418.15900	15.1
442.45810	0.6
579.13452	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
57.03320	1.6
58.00464	0.8
59.01253	100.0
60.01585	1.4
61.98706	29.8
69.03346	0.6
71.01255	24.5
71.54485	0.7
72.01605	0.6
72.99181	1.9
73.02820	6.9
73.03497	0.4
75.00748	4.0
81.03350	1.2
83.01256	4.3
83.04909	0.6
85.02823	9.6
87.00759	1.4
89.02322	9.1
89.02827	0.7
92.74465	0.4
93.03336	0.6
95.01282	1.5
97.02843	0.8
99.00761	3.5
101.02328	19.3
101.03002	1.0
101.05988	1.2
102.02663	0.6
107.04935	1.2
109.02913	0.7
113.02335	11.6
117.03354	2.5
119.03419	3.1
119.04920	2.1
121.02887	0.7
123.04416	12.6
124.04719	0.4
125.02356	4.2
129.01833	0.8
131.03401	0.7
133.02864	2.3
134.03665	0.8
135.04442	1.1
137.02354	1.1
143.03424	2.0
145.02864	11.1
147.04378	0.5
148.01608	0.4
149.02370	0.8
149.04477	0.6
149.05992	1.4
150.05478	0.5
151.00282	0.5
151.03909	0.6
153.05493	9.2
153.06685	0.7
159.02950	2.6
159.04196	0.5
160.01595	0.8
161.02431	6.9
161.04463	16.7
161.09621	0.7
161.13220	0.6
162.04900	0.8
163.03960	2.6
164.04739	0.4
165.01831	0.8
167.03423	22.0
168.03810	0.7
175.03975	0.8
176.01054	2.7
177.01807	0.6
177.05516	0.6
179.03442	0.7
179.05566	0.5
179.07062	0.6
187.11305	1.1
189.09129	0.9
190.02684	1.4
191.03458	4.7
193.05026	0.5
205.03436	0.9
205.05093	1.0
205.12343	0.6
209.04486	0.5
237.09752	0.6
249.11510	0.5
259.06223	0.5
269.04593	0.6
271.09720	0.4
307.08240	1.1
357.13480	2.4
357.26538	1.9
359.28091	2.4
375.27521	0.5
519.18988	4.5
519.32263	0.9
579.27277	8.6
579.35052	2.6
580.27747	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	579.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98493	0.3
55.01749	0.4
57.03310	0.5
59.01254	3.3
61.98701	7.0
64.10259	0.2
65.00201	0.5
66.06874	0.3
69.03306	0.3
70.41586	0.5
71.01259	3.5
71.12476	0.3
72.99184	0.3
73.02824	1.6
73.04093	0.3
75.00720	0.4
83.01266	0.5
84.30736	0.3
85.02828	1.6
88.98677	0.4
89.02334	0.4
91.01756	1.6
93.03321	1.6
95.01269	0.4
99.00745	0.6
101.02315	2.3
107.04922	0.5
107.18915	0.3
109.02886	0.4
113.02349	1.0
117.03349	1.0
119.01278	4.9
119.04886	0.6
120.51101	0.3
121.02858	2.9
123.04394	1.0
133.02866	0.3
134.03616	1.5
135.04395	2.1
137.02281	0.4
145.02867	2.9
147.00783	6.3
147.04413	0.8
148.01320	0.5
149.02345	9.0
150.03020	0.9
151.00262	0.3
151.03864	0.6
152.01053	1.3
161.02328	0.5
162.03011	0.3
163.03917	3.3
164.04704	7.3
165.01828	1.6
165.05286	0.4
167.03392	0.6
169.05052	0.6
170.05394	0.3
175.00287	27.2
176.00656	1.5
177.01909	0.5
179.07034	1.4
189.01848	0.5
190.02641	70.7
191.03000	4.9
192.04137	0.7
193.01297	0.5
194.02135	0.4
205.05002	65.8
206.05341	4.4
207.02940	1.1
207.06564	0.5
208.03709	1.5
209.04564	2.0
223.06096	6.5
223.08218	0.3
224.06311	0.3
251.05579	1.1
297.11258	0.3
306.15247	0.3
365.26962	0.3
391.55554	0.3
549.23328	2.5
550.23615	0.5
564.25836	2.3
579.28101	100.0
580.28424	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	579.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24787	1.0
57.03318	2.5
59.01252	17.0
61.98703	70.0
65.00185	3.1
71.01256	13.2
71.55087	1.6
72.99174	2.4
73.02809	3.7
75.00761	4.8
83.01251	4.2
85.02818	5.7
87.50394	1.1
88.98705	1.0
89.02346	5.6
91.01732	1.3
91.05326	1.0
91.30489	0.9
93.03323	3.4
95.01219	1.2
95.04889	1.4
101.02321	8.0
107.01263	2.7
107.04930	1.1
109.02830	1.5
113.02303	4.3
117.03347	5.6
119.01268	6.5
119.04905	8.3
121.02840	4.4
122.49980	1.1
123.04414	47.3
123.28149	0.9
124.04758	2.0
125.02313	3.6
126.02573	1.2
134.03618	2.3
135.04381	4.0
137.02309	1.5
139.00235	1.2
145.02869	13.4
147.00798	7.3
149.02348	10.1
149.04359	1.3
149.05984	1.7
150.03107	1.6
151.00261	9.0
151.03857	2.5
152.00780	1.1
153.05486	60.1
154.05826	2.8
156.80542	1.0
161.02310	4.2
161.04474	2.3
162.03076	1.3
163.03940	7.1
164.04686	7.4
165.01801	2.3
165.05396	1.6
167.03404	12.3
175.00290	27.8
175.03796	1.3
176.00630	1.5
177.01805	1.7
177.05493	2.5
179.06990	3.9
179.10689	1.0
181.29951	0.9
190.02640	66.6
191.03119	4.4
191.05281	1.0
193.04910	1.3
205.04999	68.8
206.05327	4.1
209.04465	2.3
223.06067	5.9
237.09737	1.3
239.91026	1.2
251.05594	1.4
271.06137	17.2
272.06473	2.3
289.06949	1.4
307.08145	2.4
315.10806	2.6
357.26273	5.9
359.27982	1.2
375.27420	1.5
519.32007	2.0
549.23340	2.6
564.25812	2.1
579.27905	100.0
580.28363	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	579.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83754	1.0
59.01244	3.4
61.98709	2.0
63.96107	1.7
65.47681	1.2
69.03319	1.0
71.01258	9.2
73.02834	1.6
78.95776	4.0
78.98476	6.0
79.95598	9.2
80.96395	67.4
85.02828	2.8
87.00775	2.6
94.97964	16.2
96.95899	16.2
97.02795	1.0
99.00758	1.4
101.02335	1.6
106.97961	3.1
122.97473	3.0
125.02349	3.0
127.03890	1.4
128.51799	0.9
134.97484	3.2
148.99040	4.9
152.98506	4.8
164.98540	10.0
168.41963	1.1
206.99680	2.2
224.06978	1.1
225.00742	11.4
279.23526	1.3
279.79034	1.2
281.24915	10.8
299.04440	2.5
311.70792	1.0
506.32568	8.1
565.77191	1.1
579.28455	100.0
580.28851	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	579.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.5
59.01249	6.1
61.98705	7.8
63.96114	1.2
69.03308	0.7
70.74426	1.1
71.01257	6.7
73.02831	1.6
78.95776	1.8
78.98468	4.9
79.23500	0.4
79.95611	11.4
80.96394	70.5
81.03330	1.0
83.01280	0.5
85.02831	2.9
87.00757	3.2
94.97964	18.2
95.01289	0.5
96.95894	5.4
97.02828	1.6
101.02308	2.9
106.97964	3.1
116.76511	0.4
120.91847	0.5
122.05186	0.6
122.97475	6.1
125.02328	3.4
127.03917	1.2
134.97498	4.7
136.34799	0.4
136.99040	0.8
148.99048	5.7
152.98526	6.6
152.99574	0.6
159.06209	0.5
159.91286	0.5
161.08569	0.4
164.98553	12.2
167.00023	0.6
176.98567	0.4
182.99619	2.6
188.98653	0.5
206.99646	3.6
225.00702	16.8
226.00842	0.7
242.07945	1.0
243.01794	1.7
245.04283	0.8
252.32390	0.4
279.23254	2.9
280.23721	0.6
281.24875	36.7
299.04465	3.5
481.25565	0.5
506.32462	11.6
579.28448	100.0
580.28790	19.7
587.30792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	2.2
57.03305	4.4
58.00444	2.2
59.01254	48.0
61.98696	11.4
69.03316	2.0
71.01255	55.9
72.99174	7.2
73.02833	17.9
75.00741	7.6
80.04470	2.0
83.01261	10.2
85.02830	33.7
87.00750	7.2
88.13574	2.1
89.02316	18.8
95.01278	4.8
96.95883	1.8
99.00749	7.5
101.02319	36.0
103.03873	2.3
105.01864	1.8
108.02064	2.0
109.98266	2.0
111.00788	4.1
113.02335	18.5
115.00220	3.5
119.03355	5.2
119.04948	2.7
121.02795	2.4
123.00758	2.8
123.04390	2.9
125.02319	3.1
129.01828	3.0
131.03406	2.9
133.02863	5.3
134.03653	3.8
135.04428	4.6
137.02283	2.6
139.00211	2.1
143.03438	2.9
145.02856	4.7
147.02797	2.3
147.04401	2.0
148.01614	2.1
149.02382	4.7
149.04449	4.2
150.03119	4.7
151.00284	3.0
153.05414	3.9
159.02867	3.7
160.01550	3.4
161.02354	15.4
161.04453	13.1
163.03864	4.4
163.06036	4.0
164.04672	3.8
165.01836	3.3
165.05402	3.6
166.04994	2.3
175.00272	3.1
175.03938	3.7
176.04726	2.3
177.01840	2.3
178.02631	14.1
179.03366	2.5
181.04956	3.7
190.02603	6.4
191.01872	3.0
191.03432	3.3
193.01288	3.9
193.04988	22.1
194.05356	2.9
205.05029	3.7
205.06909	2.6
208.03740	5.7
211.05975	9.5
223.06085	15.4
227.03490	4.3
235.05894	4.3
238.18112	2.0
247.08290	2.2
255.03014	7.2
265.07196	8.3
271.02457	8.7
284.03207	5.5
285.03851	5.9
289.07095	2.3
295.08386	2.3
300.02753	13.1
301.03513	4.7
325.09134	2.5
373.22314	28.4
374.22488	3.6
387.20187	2.7
463.08926	5.4
519.28119	100.0
520.28821	14.9
579.13702	8.2
579.21472	6.9
580.13916	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	579.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.5
61.98704	100.0
62.98403	0.1
64.79157	0.1
69.82597	0.1
69.82923	0.6
78.95786	0.3
92.15561	0.1
97.53386	0.1
150.29422	0.1
152.99513	0.4
154.80656	0.1
164.14088	0.1
169.40179	0.1
277.21732	2.2
278.22058	1.3
279.22382	0.8
280.22504	0.2
368.97034	0.1
484.43066	0.1
502.29523	0.8
503.30096	0.2
504.29715	0.2
505.30347	0.2
509.05725	0.2
579.30237	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01891	0.1
59.01251	0.5
61.01685	0.1
61.98706	100.0
62.98402	0.2
66.88719	0.1
69.76663	0.2
69.77052	0.5
78.59139	0.1
78.95785	0.9
80.96383	0.8
82.95981	0.7
94.97960	0.2
96.97555	0.2
98.19867	0.2
109.47621	0.1
123.00818	0.1
134.95503	0.1
152.99513	0.3
224.06815	0.2
252.77541	0.2
277.21783	1.4
278.22083	0.7
279.22440	0.6
502.29156	0.8
503.29819	0.4
504.30002	0.2
505.30380	0.7
579.26971	1.7
580.26978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59502	0.1
57.03324	0.3
59.01254	4.4
60.01580	0.5
61.01669	0.3
61.98705	100.0
62.98420	0.2
71.01255	1.8
72.99191	0.5
73.02825	0.8
75.00739	0.9
83.01272	0.3
85.02826	0.7
86.03141	0.1
87.00772	0.2
89.02339	0.6
95.01292	0.2
101.02317	1.7
102.02695	0.2
110.95303	0.1
111.27042	0.1
113.02337	0.9
117.03383	0.1
122.03479	0.1
123.04362	0.8
125.02328	0.2
131.03455	0.2
138.01912	0.5
138.03154	0.2
145.02826	0.3
149.04472	0.1
150.03151	0.4
150.40802	0.1
151.03893	0.1
153.05525	0.6
159.02904	0.2
160.01628	0.2
160.37665	0.1
161.02438	0.2
161.04459	1.5
165.05527	0.4
167.03397	0.6
168.03809	0.2
175.03979	0.1
177.05576	0.1
190.02777	0.2
191.03395	0.1
193.04999	0.4
223.06117	0.3
237.09758	3.1
238.10176	0.3
265.07288	0.3
313.24084	0.3
359.28030	4.8
360.28391	1.8
431.76834	0.1
580.25641	0.2
581.20990	0.2
581.30688	0.2
602.33276	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70184	0.3
53.95267	0.2
57.03315	0.3
59.01253	2.4
61.77256	0.3
61.98705	100.0
68.75008	0.2
71.01250	1.7
71.08274	0.3
71.54635	0.3
73.02782	0.3
75.00759	0.7
81.03373	0.4
85.02824	0.7
87.00747	0.3
89.02329	0.7
101.02335	0.9
102.75054	0.2
113.02363	0.7
122.13308	0.2
123.04399	3.1
125.02364	0.7
137.02377	0.3
150.03113	0.3
153.05522	0.4
161.04428	0.3
163.03836	0.3
165.05525	0.4
167.03407	7.9
191.03508	1.0
193.05045	0.3
205.12430	0.3
209.04622	0.2
221.04585	0.3
233.95128	0.3
249.97395	0.3
581.26263	0.5
581.35504	0.4
581.72980	0.3
604.80798	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.2
61.98706	100.0
71.01263	1.1
75.00764	0.4
87.00769	0.4
89.02341	0.7
96.95905	0.4
101.02326	0.7
109.02873	0.5
113.02364	0.3
121.02834	0.5
124.93316	0.3
125.02309	0.5
137.02316	0.5
150.30223	0.3
151.03928	0.8
160.01614	0.6
161.02373	0.3
161.04492	0.5
163.00221	0.5
175.03940	0.6
187.11237	0.5
213.74185	0.3
218.56876	0.3
221.00922	0.5
236.03296	0.6
516.19800	0.3
581.31464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	14.8
61.98703	3.3
64.08142	0.3
66.65736	0.3
70.10697	1.2
71.01257	1.2
78.95779	7.0
78.96215	0.5
78.98473	1.4
79.95607	2.1
80.96393	12.1
82.95978	0.9
85.02814	0.5
87.00744	0.7
89.74398	0.3
94.97957	2.6
96.95875	0.6
96.97530	0.4
97.02847	0.5
98.20416	0.4
101.02312	0.6
106.97964	0.6
116.92765	0.4
122.97491	1.1
125.02313	0.5
126.10931	0.4
134.97469	0.8
148.99023	1.0
152.98500	1.1
152.99519	1.3
164.98564	1.7
165.98805	0.4
168.04222	1.3
186.78029	0.3
196.89452	0.7
224.06871	1.0
225.00671	2.1
236.92581	0.4
242.07968	2.9
266.69867	0.3
281.24857	100.0
282.25211	10.3
295.80908	0.4
299.04486	0.4
300.04922	0.4
349.77942	0.3
461.40698	0.3
464.75119	0.3
479.27869	0.3
484.97302	0.3
506.32507	28.5
507.32910	5.4
580.28772	18.4
581.18781	0.7
581.28571	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	581.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16993	0.4
57.03330	2.9
59.00978	0.7
59.01250	5.7
61.98704	73.9
65.00201	1.0
67.01767	0.4
71.01251	3.5
71.54556	0.6
72.99178	1.9
73.02821	1.1
75.00744	9.2
75.01134	0.7
81.03335	8.9
83.01245	4.4
85.02809	2.3
87.00741	0.6
89.02336	1.5
93.03329	6.6
93.03912	0.4
93.90411	0.3
95.01260	0.6
95.04922	0.8
95.18846	0.4
97.06505	0.4
98.86803	0.3
99.04440	0.6
101.02319	1.9
101.05976	0.7
107.01266	1.2
107.04890	0.4
109.02836	0.8
111.04396	0.5
113.02330	1.2
116.92795	0.4
117.03327	2.4
117.27541	0.3
118.03722	0.4
119.04911	10.2
119.05730	0.6
121.02843	0.8
122.03645	0.5
123.00778	0.6
123.04411	27.5
124.04719	1.1
125.02337	26.1
126.02679	0.6
133.02884	0.6
134.03612	0.4
135.04437	1.5
137.02377	1.2
139.00279	0.7
139.03908	0.4
145.02859	8.2
145.06490	0.5
147.04446	0.7
149.02338	3.7
150.03096	2.1
151.00264	2.3
151.03792	0.6
153.05476	2.3
154.05849	0.4
160.01598	0.6
161.02321	1.1
161.04456	1.0
161.05930	0.6
163.03937	2.6
164.04651	0.9
165.01889	0.4
165.05515	2.9
167.03413	69.0
168.03743	3.4
169.45045	0.4
175.03969	1.1
179.03412	6.8
183.10153	0.5
187.07516	0.5
189.05533	2.3
190.02678	1.4
191.01978	0.4
191.03419	2.5
193.04929	0.6
195.06558	2.1
205.05017	0.9
206.05618	0.8
208.03754	0.8
221.08263	0.4
223.06050	2.1
229.08603	0.7
265.07260	2.2
269.08206	0.6
273.07681	100.0
274.05219	0.6
274.08051	8.3
297.07672	1.3
307.08231	2.7
315.25369	0.6
360.28220	0.6
375.27451	0.6
376.27820	0.5
433.11481	1.2
434.02576	0.5
461.14676	0.5
521.30023	0.4
580.28241	0.9
581.16095	2.9
581.29437	1.9
582.17584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.6
58.00447	1.1
59.01254	30.8
60.01601	1.4
61.98705	100.0
69.03313	3.0
70.69640	1.4
71.01254	29.0
71.04877	1.1
71.54675	1.5
72.99193	2.7
73.02826	5.1
75.00756	4.9
78.29729	1.1
78.95782	1.1
81.03366	2.0
83.01292	2.8
85.02831	10.7
87.00752	1.5
88.98688	2.5
89.02317	28.7
93.03333	13.8
94.60313	1.2
95.01267	2.9
96.95887	1.8
97.02853	3.0
99.00773	4.3
99.04379	1.4
101.02322	9.8
107.04942	1.2
108.02042	1.8
109.02839	3.3
111.00805	2.5
113.02343	6.2
115.03908	1.4
117.03381	1.9
119.03386	2.1
119.04901	2.3
120.99501	1.6
121.02857	8.5
122.03632	2.1
123.00806	1.3
123.04409	16.5
124.01578	3.0
125.02361	20.5
131.03410	4.1
133.02858	1.2
134.03610	2.8
135.04391	2.5
137.02336	18.3
139.00284	1.6
142.12408	1.2
143.03458	1.8
145.02831	6.2
149.02345	3.1
149.04506	5.6
149.05737	1.1
149.99550	2.0
150.03108	2.1
151.03905	3.9
153.05496	10.2
160.01599	2.7
161.02335	3.3
161.04460	2.9
163.04007	1.2
165.01842	2.0
165.05513	3.5
166.11520	1.2
167.03415	4.7
168.00523	6.2
169.04901	2.6
175.00269	1.4
175.03958	3.1
176.01027	6.0
177.01553	2.0
178.02676	1.9
179.03450	2.7
187.11214	1.1
190.02574	1.9
191.01927	2.5
191.03430	8.0
191.05470	2.8
192.03734	2.8
193.04997	3.7
194.05699	1.5
195.06514	3.0
197.06078	1.6
205.05025	3.6
209.08116	1.3
223.06038	2.0
223.08173	3.2
227.07062	12.7
233.06638	9.0
243.06573	2.0
265.07291	1.3
289.07321	3.5
293.08780	20.5
294.09045	1.5
337.08881	1.3
345.20398	1.6
375.16736	1.6
375.27423	6.8
391.27213	1.5
413.11011	9.1
521.29974	1.4
581.18042	2.3
581.29102	5.3
582.22876	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85070	0.3
56.38729	0.3
57.03318	0.5
58.00480	0.3
59.01250	100.0
60.01585	1.2
61.98726	0.5
71.01257	3.4
71.03320	0.4
71.03648	0.5
72.99178	0.8
73.02818	1.0
75.00752	1.1
80.08100	0.4
83.01280	0.7
85.02831	4.2
87.00760	1.1
88.31754	0.3
89.02316	1.8
89.03860	0.3
95.01247	0.4
99.92455	1.2
101.02337	1.7
108.02080	0.5
109.02845	0.6
113.02343	1.4
115.00271	0.3
116.92741	11.3
117.03350	2.2
117.92771	0.9
119.01236	0.6
119.03371	0.4
119.04887	0.6
121.02859	3.1
123.04400	0.7
124.01575	0.3
125.02369	0.5
129.01820	0.5
131.03410	0.4
132.02058	5.0
133.02901	1.8
133.03703	0.3
134.03630	11.9
134.08810	0.3
135.04449	1.4
136.01607	0.5
137.02347	1.3
145.02863	3.1
146.03633	0.5
147.00703	0.6
147.02960	0.4
147.04430	2.9
148.05191	0.5
149.02342	8.3
149.04308	0.4
149.05983	2.1
150.03163	0.9
151.03879	0.7
153.01886	0.4
153.05504	0.5
158.03697	0.4
160.01572	17.0
161.02357	5.1
161.04446	0.7
162.03152	4.6
163.03920	1.8
164.04689	3.7
165.01872	0.4
165.05464	0.9
173.06003	0.6
174.03137	0.5
175.00302	3.2
175.03925	17.9
176.00938	0.4
176.04677	4.6
177.01855	20.8
177.05397	2.8
178.02521	2.4
179.03343	1.0
179.07013	0.9
180.04187	0.8
190.02655	7.0
190.06340	1.4
191.01830	1.5
191.03493	1.5
191.07068	5.7
192.04199	10.0
192.07501	0.5
193.04993	15.4
194.05469	1.4
195.06609	1.0
196.05034	0.3
202.02597	0.3
203.07053	0.6
205.05011	6.3
205.08650	1.2
206.05620	1.4
207.03055	0.6
207.06567	4.5
208.03706	0.7
208.07170	0.7
217.05005	0.7
220.03731	0.7
221.08228	1.7
223.06059	5.7
224.06549	0.6
225.07625	0.4
227.03326	0.4
235.06067	16.8
236.06458	1.1
237.07675	0.4
240.04301	0.5
247.06082	0.5
250.04785	0.7
255.02803	0.5
255.10315	0.9
256.03299	0.4
257.03406	0.4
265.07141	11.9
265.09943	0.7
266.07681	0.8
269.05386	0.5
269.08200	8.1
270.08566	0.6
271.09866	0.6
281.08243	1.6
283.09714	3.0
284.03391	0.6
285.03534	0.8
286.03952	0.9
295.08188	10.9
296.08325	0.6
298.12326	0.5
299.09235	6.1
300.09512	0.7
311.09247	8.2
312.09592	1.3
314.11584	13.1
315.11984	1.2
316.02145	0.5
325.09076	2.7
326.11618	7.2
327.11920	0.7
329.13934	44.4
330.14230	4.1
341.13919	25.0
342.14261	2.1
355.10428	1.7
359.15265	0.4
385.11453	0.6
387.13052	0.5
389.16058	6.1
389.25159	0.3
390.16205	0.5
435.66058	0.4
521.25879	2.8
563.17725	9.5
563.26166	0.4
564.18127	2.0
581.12732	1.7
581.27124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44992	6.6
53.78024	8.4
57.03341	9.2
59.01255	91.7
61.98709	83.1
71.01255	44.2
72.99194	13.8
73.02824	17.0
73.84901	6.7
75.00733	17.6
80.16351	6.6
85.02823	48.4
87.00755	11.7
88.98675	45.9
89.02319	60.5
93.03329	10.8
98.19792	22.0
101.02328	33.3
102.53597	7.5
109.02833	10.8
113.02316	8.1
116.92759	15.7
117.03316	9.2
119.04881	9.7
120.99564	40.3
123.04418	77.8
124.01632	7.7
125.02336	23.7
125.98788	6.9
131.03406	8.4
132.02084	17.1
134.03635	24.8
135.04471	9.2
137.02357	20.0
145.02885	20.5
149.02335	10.5
149.04475	18.2
151.03868	17.7
153.05447	69.4
160.01561	69.7
161.02325	13.0
161.04408	12.0
162.03087	7.1
162.94553	7.8
163.03955	12.8
165.05540	14.3
169.01315	13.9
175.03905	56.6
176.01120	13.7
177.01820	13.5
179.03371	15.0
181.05035	11.4
191.01901	15.9
193.05034	22.1
195.06644	15.3
211.03972	10.0
229.24008	7.6
229.43263	10.7
270.09033	12.5
285.11807	8.3
341.10229	62.5
356.12582	17.4
371.14923	100.0
372.15317	14.1
521.33234	11.8
581.26532	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32199	1.0
59.01251	2.5
61.98700	3.9
69.79565	4.4
71.01252	2.6
85.02824	2.7
99.54568	1.0
109.02828	1.3
116.60641	0.9
124.01537	2.2
125.02333	4.6
137.02353	3.4
139.03902	4.6
144.64400	0.9
145.71252	0.9
151.03868	2.5
161.02304	1.9
167.03281	1.1
174.03151	1.2
175.03899	1.5
175.95229	1.0
179.03418	1.6
187.55702	1.0
201.76321	1.2
207.06528	1.4
221.08109	4.5
250.08342	1.3
253.54063	1.0
260.25259	1.1
284.06638	1.1
301.07324	2.0
313.07260	6.5
314.07864	1.8
327.08643	7.1
329.06534	4.0
329.10266	2.4
343.08240	5.7
343.11755	1.5
344.09039	10.3
358.10562	22.8
359.11349	44.4
360.11752	3.8
373.12897	44.6
374.13309	6.0
388.11203	1.1
389.12421	19.3
390.12674	2.2
404.14725	20.6
405.14984	1.7
419.17111	100.0
420.17487	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	581.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60792	1.2
57.03317	4.4
57.74232	1.4
58.00473	1.8
59.01253	70.8
60.01582	2.0
61.98704	18.3
70.36502	1.6
70.87645	4.0
71.01257	45.1
72.99182	3.8
73.02822	5.2
74.02345	4.7
75.00755	9.5
85.02822	14.8
87.00767	3.9
89.02325	58.7
95.01269	2.8
99.00794	1.6
101.02328	25.5
109.02898	3.1
111.00776	2.3
113.02331	12.0
116.03369	1.8
116.92767	12.5
117.01840	3.5
119.03404	12.4
121.02864	2.3
122.03627	2.6
123.04411	65.8
124.04755	2.7
125.02350	4.6
131.03391	12.4
132.02068	2.2
133.01334	1.7
133.02843	2.0
134.03621	8.7
143.03429	3.0
145.02858	3.3
149.02405	2.7
149.04474	20.8
150.03131	6.9
151.03870	3.0
153.05490	100.0
154.05823	5.0
160.01572	14.8
161.02362	3.8
161.04492	5.2
163.04001	2.6
164.04729	3.2
165.05490	7.8
175.03918	18.2
176.04660	4.5
177.01826	2.3
178.02637	1.9
179.03430	2.1
179.05547	10.4
179.07047	2.9
185.55797	1.6
187.03952	1.6
190.02701	1.8
191.03619	2.2
191.05522	8.3
191.07127	5.3
193.04979	12.7
194.05574	2.6
195.06563	2.9
205.05066	3.4
209.08208	4.4
235.06090	11.1
265.07092	4.2
271.02438	2.6
283.09824	4.5
295.08310	1.7
300.02734	2.5
301.03314	2.6
302.03317	3.1
311.09259	20.7
313.10391	1.9
315.10855	8.0
316.11032	3.0
326.11676	12.1
327.11957	2.5
341.13913	20.0
342.14084	2.4
389.21765	4.5
465.27139	5.6
473.18469	1.9
491.25406	2.6
521.26062	15.4
546.38733	1.8
581.14655	5.7
581.26166	23.7
582.26666	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.3
61.98696	3.1
65.07872	0.8
69.72035	4.6
78.95724	1.0
86.84299	0.7
93.03342	0.9
115.17223	0.8
137.02322	2.2
138.65242	0.8
163.03893	1.6
178.02650	1.7
187.03369	0.9
203.82584	1.0
223.04004	2.4
239.03520	1.7
250.02661	2.4
251.03447	3.8
265.05084	3.0
267.00204	1.6
267.02994	23.8
267.05850	1.6
268.03372	1.1
271.25977	0.9
281.04556	2.7
282.05334	15.6
283.05563	1.4
295.06372	0.9
296.06815	2.1
297.07675	64.8
298.08026	5.8
300.26410	0.9
311.09274	10.6
312.09885	2.9
325.10797	3.7
326.11569	2.1
354.11102	6.5
369.13434	100.0
370.13800	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.1
61.98704	10.6
71.01264	1.5
71.53732	1.3
77.62355	0.9
86.62997	0.9
90.55348	0.8
96.95926	1.1
101.02335	1.1
109.02837	1.4
124.99843	1.1
125.02274	1.3
137.02342	1.8
138.87576	0.9
141.45187	1.0
151.03914	2.3
152.61078	1.1
163.03979	1.1
165.98563	1.0
169.26833	1.0
176.41188	0.9
176.48354	1.0
178.02643	1.2
206.66431	1.1
223.03976	4.1
239.03474	2.5
250.02411	1.8
251.03506	4.6
262.66824	1.2
264.46277	1.0
265.04953	2.6
267.02991	21.9
268.03229	1.8
281.04559	3.3
282.05325	19.9
283.05685	1.8
296.06857	1.9
297.07675	71.2
298.08066	6.6
311.09241	12.0
312.09924	3.4
325.10861	3.9
326.11282	2.5
354.10880	6.6
369.13422	100.0
370.13721	11.7
372.32413	1.0
474.27823	1.9
581.29803	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81348	0.9
59.01252	5.8
61.98690	2.5
63.90024	0.9
116.66672	1.1
123.04381	2.0
125.02315	1.3
136.01498	1.1
137.02327	4.3
149.02299	1.6
151.03873	2.1
165.01884	1.2
175.03886	1.2
205.05209	1.1
223.03880	4.6
239.03465	2.5
250.02582	1.6
251.03413	3.3
259.13681	0.9
265.05051	2.8
267.02960	24.3
267.16058	1.2
268.03281	2.0
281.04529	2.8
282.05344	15.6
283.05658	1.2
295.06241	1.2
296.06744	2.3
297.07678	65.8
298.08072	8.0
311.05737	1.3
311.09219	10.5
312.09711	3.4
325.10873	3.7
326.11356	1.8
354.11118	5.8
357.13373	1.4
369.13412	100.0
370.13727	13.2
471.49329	0.9
502.34250	1.2
503.99652	1.0
507.45496	1.0
581.28400	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.3
57.03327	2.0
58.90726	0.2
59.01250	7.4
61.98703	4.6
71.01258	4.4
71.54744	0.3
72.99185	0.7
73.02821	0.7
75.00755	0.8
75.78370	0.2
83.01247	0.4
85.02821	1.9
87.00735	0.4
88.98663	0.3
89.02313	2.5
89.03828	0.4
93.03368	0.4
95.01258	0.5
95.04917	0.3
99.00770	0.6
101.02336	2.2
105.03352	0.3
108.02039	0.3
109.02802	0.4
111.00722	0.4
113.02346	1.3
114.08205	0.2
115.00213	0.3
116.03375	0.2
116.92725	0.6
117.03387	1.8
119.03380	0.4
119.04916	0.5
121.02839	1.0
123.00780	0.4
123.04414	1.3
125.02316	0.8
131.03464	0.2
132.02074	15.2
133.01402	0.2
133.02888	3.8
134.03638	23.4
135.04362	1.4
136.01564	0.5
137.02365	1.3
139.03944	0.6
143.12192	0.2
145.02911	0.4
147.00684	0.3
147.04480	1.2
148.05196	0.8
149.02313	0.4
149.05984	3.9
150.03101	0.6
151.00253	0.5
151.03899	0.9
153.05472	1.1
158.03635	0.3
160.01576	69.4
161.01945	3.7
161.04401	0.4
162.03072	0.2
163.03938	0.5
163.07358	0.2
164.04663	0.6
165.01764	0.3
165.05467	1.1
169.01395	0.5
173.05948	0.6
174.03073	0.2
175.03929	74.4
176.04453	6.5
177.01886	1.2
177.05435	0.8
178.02625	1.9
179.03461	1.9
180.04179	0.9
181.04915	0.3
191.03452	0.3
191.07068	7.3
192.04128	0.3
192.07443	0.7
193.04999	27.9
194.05328	1.3
195.06596	2.3
196.06978	0.2
203.07256	0.2
205.05003	0.5
207.06613	2.5
214.26172	0.2
217.05028	0.4
220.03740	0.8
221.04524	0.6
229.05128	0.6
231.14935	0.2
235.06096	15.2
236.06450	0.9
237.07664	0.6
265.07181	2.8
273.04205	0.2
281.06686	0.3
295.08240	3.2
296.08636	0.4
309.07968	0.2
465.27158	0.2
566.23749	0.3
581.26056	100.0
582.26404	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	581.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.4
59.01252	11.2
61.98707	3.4
62.46198	0.7
69.42027	4.9
71.01255	5.5
73.02808	0.9
74.44842	0.6
75.00738	1.1
77.94354	0.6
81.13654	0.7
85.02845	2.7
87.00761	1.0
88.85885	0.7
88.98729	0.7
89.02345	3.6
101.02335	2.9
113.02332	2.4
116.92787	1.0
117.03373	2.2
119.03408	1.0
123.04403	2.6
125.02316	0.9
132.02074	18.1
133.02908	4.1
134.03635	30.9
135.04301	1.4
137.02373	1.4
147.04404	1.4
149.02504	0.8
149.06001	5.1
149.09627	0.7
150.03175	0.9
153.01845	1.0
153.05460	2.3
160.01575	87.7
161.01907	4.6
165.05539	0.8
173.06056	0.7
175.03929	100.0
176.04407	8.9
177.01826	1.4
177.05441	1.2
178.02693	1.7
179.03426	2.1
191.07050	9.6
193.04994	36.1
194.05492	1.1
195.06555	1.3
207.06554	2.8
220.03699	0.9
221.04514	1.4
235.06094	16.8
235.08380	1.3
236.06453	1.2
265.07172	3.0
266.98077	0.6
280.33469	0.7
295.08255	3.8
341.10144	1.2
371.15140	0.7
491.07242	0.7
522.53857	0.7
549.23932	0.7
581.26050	93.9
582.26385	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	581.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23503	0.4
59.01257	1.2
63.96108	1.3
67.54304	0.5
69.03329	0.4
70.55795	1.3
71.01254	7.4
73.02813	1.9
73.70625	0.5
78.98458	4.7
79.95611	11.1
80.96391	78.0
81.03339	0.9
81.55788	0.4
83.00065	0.4
83.01266	0.5
85.02825	2.5
87.00746	3.0
94.97961	16.8
96.95902	0.9
97.02830	1.7
99.00788	0.5
101.02337	2.4
102.84290	0.5
106.97976	3.3
113.02349	0.5
122.97472	5.9
125.02325	3.4
127.03895	1.1
134.97458	4.4
136.99063	1.1
140.42384	0.5
148.99049	6.4
152.98550	7.5
164.98547	13.4
167.00075	0.6
175.73035	0.5
182.99634	2.6
206.99631	4.0
225.00702	19.6
243.01772	1.4
281.24908	3.4
283.26443	1.8
299.04364	4.1
338.06403	0.5
368.68216	0.5
508.34012	1.2
569.52875	0.5
581.30005	100.0
582.30347	19.3
582.39630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97154	1.4
55.01762	3.2
57.03312	5.4
58.00464	2.8
58.07443	1.3
59.01255	100.0
60.01585	1.4
61.12164	1.3
61.98708	9.3
69.73328	2.7
69.73740	6.7
71.01257	61.4
72.99177	9.8
73.02826	20.6
75.00741	5.0
83.01268	8.6
83.46597	1.3
85.02827	29.6
86.03146	1.9
87.00758	6.3
87.04369	1.8
89.02323	16.0
91.47616	1.4
95.01293	2.4
96.95870	3.1
99.00782	7.6
101.01693	2.7
101.02331	34.1
102.02662	1.9
103.03866	1.9
107.01259	1.4
109.02856	1.6
111.00754	2.5
113.02338	19.4
115.00252	18.9
116.92733	2.1
119.03409	2.8
121.02815	3.7
121.06998	1.4
123.04403	6.3
125.02359	3.4
131.03407	5.4
132.02060	5.0
133.01346	24.5
133.02818	1.6
133.15189	1.4
134.03639	11.3
135.04349	2.6
137.02336	2.6
139.03813	1.9
143.03401	2.9
147.00844	1.6
147.02820	2.0
149.02306	5.5
149.04402	3.6
149.05885	1.9
150.03139	6.5
151.00296	2.6
151.03807	1.5
153.05481	7.6
159.02875	2.1
160.01575	35.6
161.02182	5.2
161.04475	11.3
164.04672	7.1
165.01837	7.3
165.05453	5.8
166.02617	1.4
167.03383	4.5
175.00298	4.7
175.03934	39.2
176.04231	3.0
177.01875	1.7
178.02673	1.4
179.03407	4.1
179.07021	3.7
180.04160	5.7
182.07936	1.5
190.02647	14.8
191.01846	3.8
193.05013	10.6
194.05600	1.9
195.06598	8.7
197.08031	2.0
205.04988	14.5
223.06084	2.8
225.07597	3.3
235.06017	1.6
255.02971	4.1
256.03296	2.5
257.03583	2.4
269.06549	2.6
271.02420	7.5
272.02820	4.8
273.03079	7.3
300.02734	12.2
301.03088	10.9
302.03378	13.9
303.03668	1.9
311.07611	8.7
329.13882	4.6
337.09177	13.2
341.13904	2.3
344.12396	1.7
356.12555	1.8
359.14957	3.4
367.10410	7.1
371.14838	1.5
375.23846	27.5
376.24146	3.3
389.21930	1.6
419.22424	1.9
465.13760	2.8
491.24966	13.0
492.25079	1.5
493.11838	1.7
521.29791	88.7
522.30048	15.4
533.16736	26.0
534.16791	7.1
581.14032	28.8
581.25507	14.0
582.14929	4.1
582.25989	4.1
593.60992	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	581.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.3
61.98706	100.0
62.98400	0.3
68.66381	0.1
68.79191	0.1
71.45799	0.2
78.95792	0.3
80.96401	0.3
81.95235	0.2
82.95981	0.8
96.97544	0.1
152.99527	0.4
199.24547	0.1
268.89377	0.1
279.23334	2.0
280.23660	1.2
281.23834	0.6
282.24332	0.4
504.30997	0.8
506.31787	0.3
507.32193	0.4
581.26898	2.3
582.27808	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51278	0.1
53.58247	0.1
54.82790	0.1
59.01244	0.6
61.98704	100.0
62.98392	0.2
67.31841	0.2
71.54494	0.2
71.54852	0.2
78.95776	0.9
82.95998	0.3
84.96381	0.1
116.26392	0.1
125.02318	0.1
152.99489	0.2
224.06984	0.1
279.23334	1.5
280.23517	0.8
281.24030	0.6
282.24265	0.2
356.26227	0.1
504.30942	0.8
505.31442	0.4
506.31619	0.2
507.32117	0.6
508.32281	0.2
581.26880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.2
61.91544	0.2
61.98703	100.0
62.98422	0.2
63.59534	0.1
69.52637	1.0
69.78995	0.1
71.01256	0.7
72.99184	0.3
73.02821	0.2
75.00737	1.1
85.02867	0.3
88.98684	0.2
89.02304	0.3
93.03336	0.1
95.01257	0.2
98.19830	0.4
101.02322	0.3
109.02831	0.3
119.04929	0.3
121.02811	0.2
123.00772	0.2
123.04433	0.5
124.01570	0.2
125.02352	0.5
137.02293	0.4
145.02829	0.9
149.99524	0.3
150.02969	0.2
165.05475	0.3
168.00591	0.7
175.00334	0.3
176.00594	0.2
177.01802	0.2
190.02686	0.7
191.03104	0.3
193.05075	0.2
195.06598	0.3
202.38791	0.2
205.05074	0.7
206.05464	0.2
257.12027	0.3
341.06790	0.2
372.24619	0.2
379.06213	0.2
392.36646	0.2
400.54950	0.2
421.16226	0.2
482.19705	0.2
519.26440	0.5
520.26587	0.2
582.30048	1.7
583.23633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.2
56.90472	0.2
57.03331	0.4
59.01250	2.5
61.98705	100.0
62.98405	0.2
71.01245	1.3
71.54611	0.3
72.65035	0.2
73.02827	0.3
75.00752	5.9
76.01102	0.4
83.01270	0.3
85.02834	0.5
87.00761	0.2
89.02342	0.7
96.95878	0.3
98.51873	0.2
101.02345	0.7
113.02396	0.3
121.02872	0.3
123.04441	0.8
125.02349	0.3
134.03607	0.3
145.02893	0.6
149.02364	0.2
150.03084	1.1
153.05473	0.5
160.01628	0.4
161.02321	0.3
164.04758	0.4
165.05463	1.1
175.04005	0.7
191.03400	0.2
195.06606	0.6
205.05054	0.3
244.09805	1.6
289.07217	0.3
357.26721	0.5
387.14685	0.4
421.16486	0.6
427.07471	0.2
465.54865	0.2
506.34930	0.3
519.31836	3.3
520.32648	0.5
582.31586	0.7
583.24866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.2
61.98704	100.0
68.77741	0.2
71.01269	1.0
72.99183	0.2
73.02807	0.2
75.00749	1.7
85.02855	0.4
87.00733	0.2
89.02324	0.5
93.03352	0.2
96.95913	0.2
101.02353	0.6
107.04961	0.2
108.02103	0.2
113.02358	0.3
115.39691	0.2
117.03426	0.2
119.03458	0.2
121.02847	0.3
122.03628	0.2
123.04451	0.4
125.02372	0.3
129.65416	0.2
131.53897	0.2
131.59386	0.2
137.05957	0.2
145.02855	0.3
149.02390	0.7
149.06046	0.2
150.03128	1.7
151.03781	0.4
153.05478	0.2
161.02303	0.3
161.04530	0.2
163.00337	0.2
163.03954	0.3
164.04672	0.3
165.05475	2.4
166.05830	0.2
167.03450	0.7
173.34538	0.2
175.03975	0.3
180.04218	0.2
181.05011	0.4
183.10199	0.9
190.45163	0.2
195.06570	1.3
205.04996	0.4
221.08163	0.2
223.06114	0.5
224.06325	0.3
266.07358	0.2
273.07809	0.3
368.03674	0.2
385.13013	0.2
386.13470	0.3
387.14508	0.3
419.12469	0.2
550.02631	0.2
582.29651	0.3
583.29108	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	9.1
61.98705	100.0
63.99063	0.5
69.31473	2.9
69.31898	2.0
71.01253	4.2
72.99197	0.8
73.02824	1.7
75.00747	3.5
83.01263	0.8
85.02843	1.5
89.02316	2.6
96.95904	0.8
101.02328	2.7
109.02834	1.5
113.02341	1.9
119.03352	0.9
123.04454	2.8
125.02386	1.2
137.02347	1.3
145.02872	0.8
149.02396	0.9
150.03130	1.7
151.03944	1.4
153.05464	1.5
165.05513	1.4
181.04793	0.6
193.05042	0.6
205.05048	1.1
213.05554	1.3
239.45761	0.6
274.87820	0.6
327.25555	0.8
339.25320	1.5
357.26678	1.5
361.94836	0.7
421.16400	2.5
453.81369	0.7
519.31781	13.8
519.39050	1.1
520.32428	2.5
523.31989	0.7
583.31573	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53362	0.5
59.01258	3.0
61.98704	20.5
62.38769	0.5
66.91724	0.5
67.01753	1.1
67.47204	0.6
68.99308	1.3
68.99689	20.2
69.03344	0.6
71.01263	1.7
71.34707	1.1
75.00765	0.8
76.19339	0.6
80.02552	0.8
83.01256	0.7
85.02821	0.9
88.98686	1.1
89.02326	1.3
93.03309	1.2
95.01301	1.8
101.02380	0.8
105.03362	0.8
107.01292	1.6
108.02061	31.0
109.02879	5.4
111.00769	1.5
117.03359	2.1
119.04912	0.7
121.02843	2.0
122.03623	4.5
123.00776	14.1
123.04413	30.8
124.04762	1.4
125.02323	1.4
132.02080	5.9
133.02867	2.3
134.03606	1.0
135.00819	0.7
135.04436	1.6
135.21083	0.6
136.01552	1.0
137.02362	1.0
138.03139	41.9
139.03574	1.1
145.02849	1.3
147.04404	2.4
147.05444	0.6
148.01535	1.7
149.02328	1.2
150.03142	17.2
151.00287	1.1
151.03821	2.0
153.05562	3.1
160.01596	3.1
161.02379	12.8
162.03145	31.0
163.03934	15.4
164.01039	1.2
164.04477	1.2
165.01942	0.7
165.05516	3.0
167.03445	1.8
169.04924	0.6
175.00305	0.6
175.03955	1.0
177.05501	49.4
178.02644	39.1
178.05852	2.1
179.03325	5.8
179.07053	0.8
187.11189	0.5
193.05002	100.0
194.05469	7.7
195.06506	1.2
195.36494	0.5
208.03708	1.2
242.09320	1.2
257.11774	0.6
270.08972	2.5
271.06091	2.1
283.09659	0.6
285.11328	3.4
286.08295	0.8
297.07642	0.7
298.08475	1.4
299.09222	2.3
301.11111	1.1
310.08524	1.1
311.09259	1.7
313.10712	1.3
314.07941	2.4
324.10196	0.7
325.10861	1.2
326.08002	1.5
329.10309	8.6
340.13123	0.7
341.10275	8.6
342.10736	0.7
343.12000	1.2
344.12646	10.8
345.13004	0.8
356.12616	4.8
357.12848	0.7
359.15009	15.2
360.15289	1.9
371.15018	9.8
372.15463	0.6
418.11176	0.7
421.16425	0.8
553.20538	1.0
583.21802	42.5
584.22260	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	583.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86414	0.3
55.31926	0.3
57.03313	0.4
59.01247	1.0
61.98706	3.3
70.85170	1.0
71.01260	1.6
81.02296	0.3
81.03347	0.4
83.04964	0.3
85.02837	0.7
85.55836	0.3
86.01469	0.3
87.00762	0.4
89.02322	1.1
93.03330	0.5
95.01277	0.6
96.95910	0.3
97.02827	0.5
99.17063	0.3
101.02331	0.6
109.02856	2.9
111.00761	0.4
111.04421	0.5
113.02327	0.9
119.04894	0.6
122.03631	0.4
123.00810	0.4
123.04403	1.1
124.01564	3.2
125.02360	7.0
136.01512	0.4
137.02353	14.1
138.03168	5.4
139.03934	7.5
145.02866	0.8
147.04494	0.4
149.06041	0.4
150.03140	1.0
151.03925	5.5
152.04750	2.9
153.01826	0.7
153.05470	1.3
159.04434	0.4
161.02357	1.1
162.03157	0.9
163.03951	2.3
164.04672	1.1
165.01880	0.6
165.05482	1.5
166.02696	0.8
166.06259	0.4
167.03319	0.6
167.07080	0.5
170.02133	0.7
175.04021	1.5
176.04697	1.4
177.01793	0.6
177.05501	4.2
178.05930	0.5
179.03444	1.1
179.07011	0.7
180.04210	4.3
181.05009	8.0
182.05397	0.5
184.03728	1.8
188.04698	0.4
189.05479	1.1
190.06274	0.5
191.07104	1.0
193.05016	0.5
194.05794	3.1
195.06569	16.9
196.06955	0.9
203.07025	0.4
205.05086	0.5
205.08681	0.6
206.05878	0.9
207.06548	2.8
208.07343	0.5
209.08095	3.1
221.08127	0.5
236.07008	0.5
237.07738	0.6
238.08417	0.5
245.08302	0.3
253.10927	0.6
289.07224	1.0
343.11765	0.4
361.12909	4.1
373.12802	0.9
375.14621	1.7
391.13986	11.2
392.14502	1.1
406.16284	11.6
406.21597	0.6
407.16470	1.8
421.18695	100.0
422.19046	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	583.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35162	0.5
55.01767	1.6
57.03321	1.5
58.00488	0.8
59.00949	1.3
59.01252	29.7
61.98704	87.4
69.03313	1.2
71.01256	23.4
72.99174	2.2
73.02819	9.0
75.00747	21.7
81.03340	0.7
83.01260	7.3
85.02822	11.4
87.00759	1.9
87.04391	100.0
88.04720	2.2
88.98695	1.0
89.02312	3.9
93.03313	1.8
95.01242	1.8
97.02802	1.7
99.00760	3.6
99.04425	0.8
101.02323	20.5
103.03869	2.0
108.44493	0.6
109.02824	1.3
110.40653	0.6
113.02336	6.8
119.03376	2.0
119.04855	1.1
121.02854	2.9
122.03632	4.2
123.04459	2.7
125.02351	4.5
127.03858	1.4
132.02040	0.7
133.02809	2.4
134.03595	1.2
135.04424	1.0
136.01561	1.3
136.05176	0.6
137.02318	1.9
139.03905	0.8
139.11169	2.0
143.03387	1.2
145.02820	1.2
145.04987	0.8
145.12160	0.7
145.65942	0.6
147.04501	0.8
149.02347	7.7
149.06021	0.7
150.03131	26.2
151.03673	1.7
153.05449	3.0
159.02873	1.0
160.01567	3.3
161.04457	6.6
163.05994	2.0
164.04677	1.4
165.05487	28.1
166.05818	1.8
175.03946	3.8
178.02551	0.8
179.03429	0.7
179.97356	0.5
180.04169	3.1
180.98410	0.6
182.30499	0.6
183.10173	3.4
192.04250	1.0
193.04871	1.0
195.06573	16.4
196.06844	1.1
219.08456	0.7
225.34920	0.7
229.07031	1.0
258.93555	0.6
267.32712	0.6
271.15384	0.6
281.08115	0.6
284.06714	0.9
289.09253	1.0
289.16440	1.3
299.09119	3.3
307.17575	5.2
308.18011	0.7
326.11276	1.0
327.08496	1.4
341.10333	3.4
341.13757	0.9
357.09741	7.2
358.10120	1.2
372.12012	4.1
373.12292	0.8
377.21777	6.3
387.14505	17.0
388.14658	2.8
421.16089	1.2
421.29089	1.1
435.22342	17.1
436.22250	2.3
453.23044	2.1
492.25189	0.6
505.18439	1.2
521.32391	1.1
523.27606	20.9
524.27844	3.3
535.19641	4.1
536.19727	1.0
583.23456	7.1
583.31104	1.0
584.23926	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	584.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03353	0.2
59.01250	1.1
61.98705	100.0
62.98421	0.2
68.92026	0.2
69.46038	0.3
69.46449	0.8
71.01264	0.3
73.02847	0.1
83.01302	0.2
85.02832	0.4
87.00739	0.2
89.02319	0.2
89.40419	0.2
101.02355	0.3
108.34943	0.2
109.02842	0.3
113.02329	0.2
121.02879	0.2
123.04409	1.1
125.02353	0.5
125.71450	0.2
134.31183	0.2
145.02895	0.2
150.03195	0.2
151.03923	0.2
152.01135	0.2
153.01788	0.2
153.05470	1.1
160.01602	0.4
161.02211	0.2
164.04747	0.5
165.01929	0.2
165.05444	0.2
175.03944	0.3
179.03514	0.2
179.07097	0.5
189.07947	0.2
190.02696	0.5
195.06555	0.2
205.05037	0.4
300.02905	0.4
301.03448	0.7
302.03836	0.2
330.47165	0.2
345.13547	0.2
367.10446	0.7
388.67181	0.2
531.59424	0.2
584.11768	0.8
584.27209	0.2
585.22516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.2
59.01247	1.7
61.98705	100.0
62.98396	0.2
68.90077	0.2
69.49980	0.8
69.50394	0.4
71.01271	0.7
72.99224	0.2
75.00741	0.3
80.56031	0.2
83.01277	0.2
85.02849	0.4
87.00771	0.3
88.98698	0.8
89.02318	0.3
93.03356	0.4
95.01253	0.2
96.95894	0.3
101.02348	0.5
105.09312	0.2
109.02892	0.2
113.02333	0.2
120.99557	0.4
121.02887	0.3
122.03625	0.4
123.04410	0.9
125.02365	0.3
133.02843	0.2
134.03615	0.2
137.02353	0.4
139.03964	0.3
149.02376	0.7
150.03148	2.1
151.00346	0.2
151.03822	0.3
153.05463	1.4
161.02438	0.3
165.05495	2.6
167.03342	0.2
175.03975	0.3
177.01866	1.3
180.04112	0.2
183.10242	0.8
193.04994	0.3
195.06561	2.0
205.05096	0.2
206.05051	0.2
247.05957	0.2
285.03799	0.3
287.22260	0.2
293.62961	0.2
301.03561	0.2
302.03973	0.4
359.15097	0.6
363.43350	0.2
371.15079	0.2
420.25122	0.2
537.21234	0.5
543.11926	0.2
584.24097	0.5
585.29437	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66457	0.2
57.03355	0.2
59.01255	2.0
61.98703	100.0
69.34312	0.2
71.01243	1.0
71.54906	0.2
72.68922	0.2
72.99200	0.2
73.02828	0.4
74.99487	0.2
75.00745	1.7
78.91791	0.4
79.46630	0.2
80.35865	0.2
81.19023	0.2
85.02831	0.3
86.43406	0.2
88.98687	0.4
89.02296	0.9
93.03400	0.3
97.02898	0.2
101.02373	0.5
107.04929	0.7
108.02075	0.4
108.47702	0.2
109.02829	0.4
113.02325	0.3
121.02864	0.7
122.03676	0.5
123.04440	0.6
125.02367	0.4
134.03574	0.3
135.04492	0.2
137.02361	0.5
137.05829	0.2
139.03850	0.2
145.02939	0.2
149.02341	0.5
150.03113	0.9
151.03917	0.2
153.05479	0.4
160.01498	0.5
161.02365	0.2
162.03130	0.2
165.01872	0.2
165.05493	1.0
167.03436	0.4
175.03995	0.9
177.01929	0.2
191.05560	0.2
193.04988	0.2
195.06616	0.8
229.08774	0.5
255.06776	0.2
273.07748	0.4
343.11758	0.2
387.14395	0.2
408.49680	0.2
423.18332	0.6
549.27380	0.5
555.83533	0.2
584.23059	0.2
585.15936	1.4
585.31940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.1
59.78558	0.6
61.98710	10.5
68.15777	0.7
71.31550	1.3
87.36081	0.7
93.03374	3.2
121.02843	6.1
122.03625	12.5
124.01518	1.0
133.02841	0.9
134.20154	0.7
136.01587	1.5
148.01550	0.8
149.02356	30.7
150.03145	82.2
151.03494	3.0
160.01727	0.8
164.04715	8.6
165.05498	100.0
166.05820	5.9
166.12151	0.7
179.07059	3.0
180.04230	6.6
181.04715	0.8
195.06578	65.9
196.06967	4.5
217.13905	0.7
237.51556	0.7
243.25540	0.7
270.09058	1.0
283.09735	2.4
285.11331	1.8
298.08542	1.2
299.09097	1.8
299.12582	1.5
309.32117	0.8
314.07901	1.3
325.10730	0.9
326.07965	1.1
326.11432	1.1
327.12259	4.0
328.13181	7.2
329.10306	5.6
329.13751	1.0
330.10883	1.3
341.10358	5.3
342.10745	1.4
343.15491	0.8
344.12589	8.3
345.12970	1.5
355.11887	1.1
356.12595	2.9
357.13068	0.7
359.15002	21.0
360.15347	2.7
371.14960	15.0
372.15073	1.4
389.16379	0.8
390.87375	0.9
427.05893	0.8
461.16278	1.2
463.17706	2.0
507.20319	9.6
508.20731	1.4
512.10223	0.9
519.20398	1.8
522.18811	0.8
525.52808	0.9
537.21301	45.4
538.21521	10.0
585.24164	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	585.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91043	0.3
59.01265	0.6
61.98704	3.6
70.87717	0.6
71.00840	0.3
71.01257	0.6
72.94511	0.3
83.98026	0.3
85.02912	0.3
89.02304	0.5
93.03336	3.8
95.04898	0.3
97.30707	0.4
98.46208	0.3
101.02319	0.5
108.02078	0.5
109.02869	0.4
109.31554	0.3
114.90209	0.3
121.02834	4.5
122.03635	15.3
123.04436	1.0
125.02363	0.3
132.02058	0.6
133.02834	1.2
135.04414	0.8
136.01590	1.3
137.02328	0.6
138.01952	0.3
149.02350	16.9
150.03136	94.4
151.03456	3.7
153.05386	0.4
160.01491	0.5
164.04716	3.7
165.05492	100.0
166.05849	4.4
168.39461	0.3
180.04236	6.2
181.04637	0.4
195.06567	71.6
196.06903	4.7
201.42603	0.3
223.09668	0.5
230.17093	0.3
239.07187	0.3
242.09505	0.9
257.11835	0.6
268.68945	0.3
269.08020	0.6
270.08865	1.8
281.08093	0.3
282.08890	0.5
285.11276	1.9
286.08450	0.8
298.08435	1.3
299.09198	1.4
299.12674	0.3
301.10596	0.7
310.08310	0.6
311.09164	0.6
313.10870	0.7
314.07855	1.7
325.10559	0.5
326.07913	0.9
326.11487	0.7
327.12262	1.0
328.13208	0.4
329.10263	4.8
330.10608	0.4
341.10330	6.1
342.10580	0.9
344.12653	4.7
345.13177	0.8
345.22546	0.4
354.86365	0.3
356.12708	2.6
359.15009	19.7
360.15384	1.9
371.14987	13.5
372.15408	1.9
413.45859	0.3
506.64615	0.4
507.19949	1.1
537.21198	1.4
538.21704	0.5
585.23029	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.0
61.98703	7.7
69.03316	0.5
70.40766	0.6
71.01263	1.1
71.04891	0.5
74.91910	0.3
75.00744	0.6
75.54836	0.3
75.55334	0.3
81.03316	0.5
83.01250	2.1
85.02824	0.8
89.02336	1.1
93.03338	1.2
94.82169	0.3
95.01292	0.5
95.04891	1.3
97.02822	2.7
101.02354	0.6
102.89214	0.3
105.03362	0.5
107.04898	0.5
108.02051	1.1
109.02840	20.9
110.03171	0.8
111.04401	0.3
113.02343	0.5
117.03371	0.4
121.02888	2.1
122.03665	2.4
123.00822	0.6
123.04421	15.9
124.01528	0.9
124.04774	0.7
125.02357	1.7
133.02847	0.5
135.00835	0.3
135.04437	1.9
137.02351	12.7
138.02715	0.4
139.03909	6.7
145.02858	1.0
146.03656	0.7
147.04434	1.7
149.02348	12.8
150.03229	1.7
151.03920	16.6
152.04271	1.0
153.05403	1.6
154.02637	0.5
159.04405	0.8
161.02356	4.7
161.06009	2.4
162.03105	1.0
163.03923	4.9
164.01079	0.7
164.04601	0.3
165.01839	2.5
165.05446	0.7
173.02403	0.4
173.06018	0.6
175.03932	1.4
175.07539	0.3
176.01073	2.1
177.01840	4.7
177.03293	0.4
177.05476	0.8
178.02596	3.0
179.03416	2.8
179.46423	0.4
183.98627	0.3
187.03958	1.1
187.07668	0.5
188.04706	0.4
189.05492	0.5
190.02684	0.5
191.03465	4.7
192.04135	1.1
197.06018	1.2
201.05588	0.6
202.06181	0.4
203.03378	1.0
203.07050	2.7
205.05011	4.5
206.05479	0.4
213.05530	5.2
214.05943	0.4
215.07086	18.4
215.53085	0.3
216.07552	1.6
227.07079	0.4
229.05115	0.5
230.05693	0.5
231.02936	0.4
231.06683	0.7
239.07149	0.6
245.08124	0.5
247.06174	0.4
255.06549	0.8
257.08194	3.7
258.08655	0.4
259.05969	0.5
259.13422	4.2
260.13821	0.6
271.13434	2.5
283.06113	0.7
289.07324	0.4
289.11929	0.4
299.09995	0.4
299.12869	2.3
301.07187	17.0
301.14407	0.7
302.07410	1.7
313.14511	1.7
337.18274	0.4
355.19244	0.5
379.19186	3.5
380.19046	0.5
423.18146	100.0
424.18472	15.9
463.12888	0.6
585.23419	7.0
585.32904	0.6
586.23926	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	585.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48141	0.4
56.65693	0.4
57.03321	0.9
59.01253	25.2
61.98705	16.6
67.01794	0.4
69.21080	3.7
71.01254	4.2
72.99236	0.4
73.02816	5.2
75.00733	0.7
79.79170	0.4
81.03355	0.5
83.01260	5.1
85.02840	1.5
87.00749	0.6
87.04380	0.5
88.98676	0.5
89.02317	1.3
93.03355	1.1
95.04917	1.1
95.08957	0.5
96.95916	0.8
97.02824	0.5
97.06464	0.5
99.04414	0.7
101.02335	4.1
105.01842	0.5
108.02079	0.8
109.02847	0.8
113.02356	1.4
116.22975	0.4
119.03405	0.5
121.02853	3.7
122.03617	1.2
123.04413	79.4
124.01505	0.4
124.04742	3.2
125.02338	2.0
133.02896	0.8
135.04396	0.6
136.01585	0.7
137.02335	3.7
137.05972	0.6
145.02820	0.7
149.02312	0.5
150.03123	1.5
151.03922	2.0
152.04712	1.3
153.05486	100.0
154.05785	4.4
160.01581	0.4
161.02422	0.5
161.04570	0.5
163.03864	0.4
163.07692	0.4
164.04680	0.8
165.01839	8.1
165.05453	2.0
165.12732	0.8
165.58727	0.4
166.06238	0.7
167.03468	0.6
167.10703	1.1
175.03957	0.7
177.01796	0.8
179.03465	1.3
179.07083	1.0
180.04225	4.0
181.04907	0.8
181.08636	0.8
183.10194	0.4
195.06543	8.6
196.06947	0.7
205.55443	0.4
207.13867	0.7
209.11772	2.1
210.05249	0.9
225.07661	6.1
225.14955	2.4
226.07985	0.5
227.12840	11.5
228.13254	0.9
233.11867	1.1
251.12865	1.3
269.14011	3.3
277.17120	0.4
281.06598	0.5
285.04031	0.6
287.15039	5.1
297.09808	2.4
311.15051	0.7
315.10907	5.3
335.13535	1.8
341.13916	0.5
357.11856	4.4
358.12296	0.5
371.16943	0.5
431.19324	3.2
437.20541	0.6
525.23523	0.5
537.21753	1.2
567.24463	4.6
585.25482	50.5
586.25842	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	586.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39441	0.2
59.01235	0.5
61.98704	100.0
71.01241	0.3
71.54816	0.3
72.99167	0.2
83.01278	0.3
89.02321	0.3
98.82294	0.2
101.02379	0.2
107.31329	0.2
109.02854	0.3
123.04409	0.3
125.02348	0.5
137.02368	0.4
145.02997	0.3
150.03117	0.4
153.01904	0.3
165.01849	1.0
165.05515	0.5
166.02284	0.4
170.33444	0.2
179.03381	0.3
180.04196	0.6
181.04852	0.4
195.06517	1.4
196.06970	0.4
225.07635	0.4
360.15216	0.3
478.16473	0.2
511.48099	0.2
538.21796	0.6
586.22839	0.2
587.23926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62483	0.7
58.00458	1.8
59.01251	26.9
61.98701	18.9
69.03313	1.0
69.36066	3.9
71.01253	27.5
72.99182	3.5
73.02818	13.0
75.00746	1.1
83.01244	1.1
85.02818	4.6
87.00751	2.1
89.02316	28.0
96.95893	1.4
97.02833	1.9
99.00755	28.6
100.01099	0.9
101.02326	13.0
109.02818	1.1
111.09174	0.7
113.02321	3.1
119.03389	1.0
123.04435	1.4
125.02336	2.9
131.03394	4.8
149.04449	4.4
161.02477	0.9
161.04489	1.0
164.03642	0.8
167.81982	0.6
171.10263	1.1
177.01752	0.6
183.10187	1.2
191.05557	5.9
197.11836	0.7
198.47200	0.7
233.15469	1.9
275.20148	2.3
277.21866	1.2
293.21252	6.6
424.18411	1.1
425.19366	2.0
455.26373	2.1
527.28510	0.8
587.30701	100.0
588.31097	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	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76329	0.2
69.21079	1.6
72.99181	1.6
75.00747	100.0
76.01066	1.2
96.95887	0.5
110.32616	0.2
111.18499	0.2
164.98421	0.2
277.21790	0.6
318.52332	0.2
525.52863	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81047	0.3
59.01247	1.5
61.98708	0.6
64.05718	0.4
71.21241	0.7
72.99177	1.8
73.71258	0.3
75.00748	100.0
76.01074	0.8
78.48990	0.3
96.95910	0.9
97.97169	0.3
98.20385	0.3
102.40980	0.3
106.76163	0.4
116.38576	0.4
118.88270	0.4
145.60207	0.4
152.99515	0.4
158.91968	0.4
246.35686	0.4
270.06015	0.4
277.21835	0.9
291.46503	0.4
303.65359	0.4
605.23041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01598	1.1
62.68003	0.5
71.54124	0.8
71.94164	0.5
88.10079	0.6
91.88529	0.5
96.95921	1.1
133.22806	0.6
148.75148	0.6
161.48373	0.5
269.76791	0.7
277.21701	7.3
278.22195	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48883	0.6
55.01758	1.7
57.03326	1.6
58.00464	5.2
59.01252	100.0
60.01582	1.4
61.98701	2.5
69.20637	5.6
71.01254	59.7
72.01568	0.7
72.99183	6.6
73.02828	1.5
75.05585	0.6
83.01260	2.7
83.04912	1.4
85.02828	11.0
85.06469	2.2
86.03162	0.7
86.61800	0.6
87.00741	3.7
88.03932	1.7
89.02319	72.3
90.02686	0.9
90.32089	0.5
93.89024	0.5
95.01269	4.0
96.95916	1.1
98.02364	1.4
98.19797	0.9
101.02325	40.3
102.02726	1.0
103.60331	0.5
108.08072	4.1
113.02333	23.7
114.02682	0.7
115.07497	0.6
119.03392	40.6
124.07595	1.1
126.09145	5.1
130.77188	0.6
131.03404	3.6
138.09155	2.7
139.38474	0.5
143.03419	5.2
149.04478	3.6
154.08606	0.9
156.10211	1.9
161.04454	5.5
166.08646	0.7
179.05539	12.5
182.98288	0.7
184.09718	1.5
185.19232	0.6
225.22179	10.4
226.22533	1.8
253.21744	3.4
270.24390	1.4
271.22705	7.0
272.23126	0.8
294.24228	0.7
296.25903	3.7
312.25473	1.4
324.25467	1.1
380.31589	1.6
392.31845	2.9
393.32111	0.9
410.32755	44.6
411.33099	7.3
428.33780	19.4
428.39664	0.8
429.34027	1.9
590.39075	69.1
591.39471	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	591.1726
Annotation	1,2-Bis-O-sinapoyl-beta-D-glucoside
Peak:m/z	Relative Intensity
54.90933	0.5
55.01781	0.7
57.03340	0.7
59.01255	10.0
59.01534	0.7
61.98707	9.6
61.99002	0.7
65.00224	0.5
71.01253	10.6
72.99197	1.4
73.02827	3.0
75.00771	1.6
83.01278	1.1
85.02815	3.8
87.00761	1.2
89.02316	4.0
91.01817	2.0
93.03351	1.9
94.77285	0.5
95.01289	0.7
96.95902	0.7
98.20556	1.6
99.00773	1.5
101.02322	6.3
109.02854	0.8
109.45097	0.5
111.00794	2.0
113.02328	4.3
117.03353	2.4
119.01279	6.4
119.03419	0.6
119.04960	1.9
121.02856	3.3
123.04398	0.9
125.02364	1.8
129.01781	0.5
131.03413	1.9
132.02066	1.2
134.03650	1.3
135.04425	6.3
137.02373	1.0
137.05977	0.6
143.03372	0.6
145.02867	9.2
147.00797	3.4
147.04453	0.7
149.02357	13.7
149.04417	1.4
149.06042	0.7
150.02759	0.5
152.01012	0.6
159.02939	1.0
160.01628	1.6
161.02370	1.9
161.04495	3.2
161.05681	0.5
162.03122	0.6
163.03935	4.1
164.04723	14.8
165.01862	2.7
165.05420	1.2
166.02667	0.6
173.04462	0.9
175.00307	33.0
175.03914	3.1
176.00739	2.1
177.01846	1.3
177.05525	0.9
179.03474	4.7
179.07040	4.0
180.03862	0.6
183.10228	0.7
189.01862	1.5
190.02666	77.4
191.03162	7.7
193.01361	1.0
193.04985	1.3
204.04257	0.5
205.05016	100.0
206.05531	8.8
207.03006	1.6
207.06279	0.6
208.03763	3.5
209.04398	0.6
215.07236	0.5
217.01381	1.4
219.06714	0.6
221.08145	5.0
223.06085	28.7
224.06369	2.5
232.03683	1.9
235.06078	0.6
237.07689	1.3
247.06075	7.3
250.04816	1.4
265.07184	10.1
266.07504	1.4
289.07199	2.0
295.08212	4.7
307.08249	0.9
325.09286	8.5
353.08856	1.3
367.10349	25.5
368.10544	3.2
385.11581	2.8
399.23859	7.1
442.85449	0.6
531.28082	11.4
532.28412	1.4
570.25079	0.6
591.17548	2.1
591.29749	1.1
591.41302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2614
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
68.26717	0.3
70.55446	1.0
106.06536	0.6
116.62053	0.3
171.95605	0.3
262.43076	0.3
270.22375	0.3
362.28195	0.4
407.47839	0.4
443.22443	1.3
444.19543	0.5
445.19897	0.9
446.20761	0.4
455.22314	0.5
456.23175	1.1
459.21884	1.8
471.20984	1.3
471.25833	1.7
472.22485	1.2
473.23965	0.6
482.21112	1.0
484.18863	0.6
485.19958	1.4
486.20050	0.5
487.25555	2.6
489.22986	0.5
492.50922	0.3
497.23486	2.7
498.24002	0.7
499.21228	2.4
500.22192	9.0
501.22556	2.3
504.21890	0.5
514.23602	0.6
515.24542	100.0
516.24829	22.1
518.23499	0.6
519.24005	0.7
547.27124	0.4
559.23499	4.8
560.23749	1.0
571.79236	0.3
591.25848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08832	0.8
54.26555	0.8
60.42695	0.8
70.85453	1.4
72.93627	0.7
105.37778	0.7
108.29493	0.8
114.05332	0.7
119.97206	0.8
125.35804	0.8
126.55889	0.8
337.24664	0.8
440.52374	1.0
443.22333	2.2
445.20108	1.8
457.20322	1.0
459.21716	2.3
460.22180	1.3
471.26419	1.9
472.22925	1.3
482.21130	1.6
485.20084	1.6
486.19965	1.3
487.24811	2.8
497.23596	4.1
499.21362	3.6
500.22128	12.6
501.22360	2.5
515.24554	100.0
516.24823	24.0
516.31293	0.7
559.23541	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	592.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40669	0.1
59.01244	0.3
61.98706	100.0
62.55027	0.1
64.27728	0.2
71.01265	0.2
73.23467	0.2
75.00775	0.2
79.95610	0.3
80.96391	0.9
83.61147	0.1
89.95729	0.1
94.97981	0.3
109.08578	0.2
125.02373	0.2
137.02335	0.2
151.00282	0.4
163.00339	0.2
164.98586	0.2
181.78735	0.2
202.25220	0.2
225.00677	0.2
225.65625	0.1
255.03000	0.5
269.71515	0.2
271.02490	0.5
284.03354	0.7
285.04068	1.0
300.02927	0.7
301.03528	0.9
592.25427	0.9
593.14655	1.1
593.26471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49685	0.2
53.60403	0.2
59.01235	0.5
61.98705	100.0
63.17742	0.2
70.11037	0.7
70.11414	0.6
71.01246	0.6
73.04677	0.3
77.75905	0.2
79.95615	0.4
80.96395	2.7
85.02802	0.3
94.97937	0.6
96.95896	0.3
101.02331	0.4
125.02370	0.3
164.98619	0.6
179.92270	0.2
209.11827	0.4
225.00726	0.9
255.03075	0.7
284.03360	0.8
285.04074	1.2
476.31424	0.3
490.85733	0.3
593.15594	1.2
593.26764	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	593.1301
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
55.15848	0.4
59.01257	2.2
61.98696	3.8
63.02262	1.4
65.00208	1.1
70.93154	1.1
71.89661	0.4
77.36974	0.4
83.01251	1.0
83.67186	0.4
85.02831	0.7
88.98677	0.5
89.02311	0.5
93.03330	1.6
101.02322	1.1
107.01276	3.7
111.43735	0.4
113.02361	0.6
117.03346	3.9
119.04901	4.3
125.02375	0.7
132.02083	1.0
135.00772	2.0
137.02316	0.8
142.11934	0.4
143.04932	1.1
143.84630	0.4
145.02863	12.6
149.02426	0.5
151.00284	5.3
157.06493	0.6
159.04422	1.6
163.00317	2.4
163.03915	3.3
164.01048	0.8
165.01892	0.6
167.04922	1.0
169.01340	0.7
169.06522	0.6
171.04405	0.7
173.06107	0.4
175.03900	0.6
175.31664	0.4
176.85103	0.5
181.05013	0.5
181.06572	0.4
182.03586	0.5
183.04451	1.9
185.06030	2.5
187.03990	3.3
189.05496	1.3
190.02652	1.7
190.99857	0.7
195.04420	0.7
196.05164	0.8
197.06032	0.8
199.03906	1.2
200.04604	0.8
205.04990	1.8
211.03990	3.7
212.04631	1.5
213.05521	2.0
214.02692	0.5
227.03448	42.4
228.03818	2.7
229.05035	9.7
230.05342	0.6
237.17677	0.5
239.03499	1.2
240.04201	1.1
241.04997	1.9
243.02849	0.5
255.02966	69.8
256.03561	11.7
257.04532	7.9
265.07227	0.7
267.03082	0.9
268.03699	0.7
283.02417	1.0
284.03265	75.4
284.43900	0.4
285.04019	100.0
286.04388	7.5
307.08243	5.2
347.60950	0.5
373.26001	0.9
392.35992	0.5
447.09256	3.4
533.33527	1.1
548.54779	0.5
593.13019	91.5
594.13275	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	593.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72019	0.4
57.03313	0.8
59.01252	7.7
61.98704	14.4
63.02279	0.9
65.00212	1.2
68.99670	0.4
69.40944	0.7
69.41349	2.4
71.01256	5.3
72.99165	0.9
73.02819	1.2
75.00742	0.8
83.01263	1.5
85.02822	1.8
87.00782	0.5
89.02329	2.5
93.03349	1.9
95.01262	0.7
97.02885	0.4
98.19790	0.9
101.02316	3.0
107.01275	2.5
107.41684	0.5
109.02837	1.2
111.00752	0.5
113.02353	1.1
116.92772	0.6
117.03373	5.0
119.01257	0.7
119.03387	0.6
119.04929	3.8
121.02872	0.8
123.04472	0.6
125.02316	1.3
131.03389	0.9
132.02100	1.4
133.02852	0.5
134.03629	0.6
135.00810	2.1
135.04384	1.2
137.05948	0.7
137.65781	0.4
143.04967	1.1
145.02864	14.2
146.03149	0.7
147.02869	0.7
149.02367	0.7
149.05966	0.5
151.00296	5.9
151.03992	0.5
153.01912	0.7
157.06512	0.8
159.04411	1.6
160.01578	1.8
161.02341	0.5
161.04503	1.0
161.05920	0.6
163.00290	2.9
163.03961	3.0
164.01056	1.0
164.04633	0.6
165.01851	0.6
167.04950	0.7
168.05702	0.4
169.01376	1.0
169.06517	0.8
171.04399	0.8
174.03165	0.6
175.00278	1.6
175.03893	2.0
177.01828	0.7
179.03401	1.0
181.05031	2.9
183.04434	1.3
184.05026	0.4
185.06059	2.7
187.03926	4.1
189.05537	1.3
190.02684	4.2
191.03305	0.7
193.04927	0.7
194.05801	0.6
195.04442	0.5
197.06100	0.7
199.04005	1.3
200.04738	0.6
205.05028	3.7
209.08028	0.5
211.03934	3.8
212.04755	0.8
213.05482	2.1
217.04825	0.5
223.05969	0.7
227.03464	42.0
228.03778	4.3
229.05028	10.0
237.09773	1.2
239.03461	1.9
240.04126	1.1
241.05067	1.6
243.03119	0.9
255.02982	72.1
256.03601	10.8
257.04565	8.0
265.07217	0.6
267.02942	0.6
269.04739	0.5
283.02563	1.5
284.03275	73.4
285.04028	100.0
286.04401	7.9
297.03848	0.5
306.01038	0.5
307.08243	6.2
325.03674	0.8
327.04926	0.8
349.79025	0.5
355.24722	0.6
373.25980	1.7
375.27411	0.6
401.25055	0.6
429.08301	0.6
434.10614	0.5
447.09268	4.1
448.09482	0.7
533.29443	1.3
593.13080	82.0
593.26190	2.9
593.26312	2.8
594.13330	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	593.1304
Annotation	Kaempferol 3-(3''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
57.03331	0.6
57.60888	0.6
58.77407	0.5
59.00949	1.5
59.01251	26.9
59.67515	0.6
61.98706	26.5
63.02280	1.6
65.00194	4.3
66.41198	0.7
69.33582	1.7
69.34006	3.4
71.01248	5.6
72.99191	0.9
73.02817	1.3
78.95807	1.0
79.27362	0.5
83.01266	3.8
85.02818	1.6
87.00755	1.2
88.98674	0.7
89.02296	2.9
93.03352	1.7
95.01236	0.7
96.95896	0.8
101.02309	3.3
103.66598	0.6
107.01270	7.9
108.02100	1.8
109.02851	6.5
109.91938	0.6
113.02354	1.6
116.41682	0.6
116.61193	0.6
117.03368	1.8
118.97960	0.7
119.01282	1.1
119.04920	6.1
121.02850	7.6
123.04459	0.7
125.02316	1.2
131.03413	0.9
133.02850	1.4
134.03673	0.9
135.00793	1.4
135.04404	3.3
137.02351	1.3
143.04967	0.9
145.02849	3.8
147.00760	0.7
148.01591	2.0
149.02364	1.3
149.04514	1.6
151.00279	28.0
152.00641	1.0
153.01880	1.1
153.05588	0.8
159.04478	1.1
160.01587	1.3
161.02362	2.7
161.04501	1.5
163.00264	5.0
163.03915	7.7
164.01041	1.3
164.04649	1.3
165.01808	1.0
167.04900	0.6
169.01384	2.0
171.04414	0.9
175.00345	0.9
175.03954	2.7
175.07764	0.7
177.01825	2.3
178.02223	1.4
178.99792	12.9
179.03436	1.6
179.07066	0.7
180.00099	0.7
181.08687	1.2
183.04443	1.6
185.06006	1.4
187.03906	2.3
190.02693	2.0
190.99861	0.6
192.00764	0.7
199.03937	3.2
201.05586	1.5
203.03532	0.7
205.05017	1.9
211.03960	3.5
215.03395	1.5
216.04222	1.0
217.04948	0.8
226.02669	2.3
227.03441	6.1
228.03958	0.8
229.04996	5.0
241.11073	0.7
243.02966	10.6
244.03372	1.4
245.04520	2.5
254.02205	2.1
255.02972	26.9
256.03485	3.7
257.04462	1.6
271.02472	52.1
272.02982	5.8
273.04041	2.8
283.02451	2.0
284.03247	3.8
285.04062	23.7
286.04385	2.4
299.01996	12.4
300.02744	74.6
301.03516	100.0
302.03821	8.4
307.08438	0.8
311.09329	0.7
341.13931	2.2
353.13843	1.9
359.27957	1.0
398.68472	0.7
401.25104	1.0
429.08224	4.5
430.08438	0.7
447.09351	15.6
448.09500	1.8
533.32916	1.9
593.13086	53.3
593.25403	2.2
594.13397	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	593.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32626	3.7
57.03325	10.8
62.87195	3.7
76.84220	3.8
78.58560	3.3
78.84799	3.1
83.01275	4.9
91.41170	3.6
91.58959	4.5
97.02847	5.8
99.00723	6.4
109.02824	24.0
109.49983	3.9
111.00774	8.0
114.17648	4.4
123.00729	8.1
123.04402	10.9
125.02346	100.0
126.02613	3.9
137.02348	33.7
138.03088	4.2
139.00261	23.3
139.03909	8.3
141.01845	15.8
149.02356	7.7
151.03923	10.1
153.01872	5.8
153.22459	4.0
159.04482	4.1
161.02350	27.2
163.03995	5.9
163.91879	3.9
165.01825	14.1
167.03401	12.3
168.00500	6.2
175.03966	12.5
175.07573	4.8
177.01852	39.8
178.02316	5.1
187.03960	6.3
191.03448	6.6
203.07069	11.3
205.05011	6.6
215.03329	6.3
217.04951	8.1
243.02957	7.1
245.04462	7.4
245.08197	8.8
255.03008	7.9
256.04047	5.6
259.02460	4.3
259.06390	4.2
261.04056	6.4
269.04825	5.0
285.03882	7.4
287.05557	11.2
289.07108	55.6
290.07535	10.2
299.05679	6.0
303.05032	15.6
305.06714	34.0
315.05099	5.2
407.07776	28.5
423.07080	33.6
425.08783	12.2
441.08362	27.6
442.09024	4.4
467.09924	14.1
593.12646	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	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
66.99176	0.5
71.31133	0.8
76.19657	0.5
77.72157	0.5
77.93258	0.4
93.03336	0.9
100.82555	0.5
107.01259	0.9
135.00777	0.8
137.82919	0.4
151.00262	2.4
163.00273	1.7
165.01935	0.6
175.78996	0.5
185.06049	0.7
187.03900	1.5
189.05492	0.9
195.04373	0.7
197.06021	1.0
201.05510	0.6
211.03922	1.1
213.05540	0.9
224.96097	0.5
227.03448	16.8
228.03870	1.0
229.05037	7.8
239.03476	0.9
240.04202	0.8
241.05003	1.2
255.02968	31.5
256.03638	5.4
257.04517	5.6
258.66104	0.5
267.02985	0.7
284.03259	72.9
285.04013	100.0
286.04333	8.4
327.05127	1.0
593.15112	90.4
594.15515	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2639
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
57.54139	0.3
59.01244	1.3
61.98705	2.4
63.96109	0.9
65.00196	0.6
70.44984	0.7
71.01254	6.9
72.99170	0.5
73.02802	1.7
73.36341	0.3
78.98471	5.0
79.95107	0.5
79.95609	33.8
80.96393	53.6
81.03333	0.7
83.01247	0.6
84.47446	0.3
85.02831	2.7
87.00756	2.1
89.02296	0.5
94.97963	12.5
96.95887	1.4
97.02827	1.4
99.00725	0.5
101.02332	2.5
106.97965	2.6
107.01266	1.3
108.02073	0.5
109.02817	0.9
113.02345	0.7
116.78355	0.4
119.04917	0.6
121.02856	0.8
122.97464	4.6
125.02337	2.9
127.03888	0.8
134.97482	4.5
136.99017	1.3
137.02380	0.5
148.99045	5.2
150.97050	0.4
151.00298	3.8
152.98558	6.0
161.04416	0.9
163.00294	1.1
163.03944	1.0
164.01080	0.4
164.98546	9.1
172.10776	0.3
177.07434	0.4
178.99873	2.2
182.99612	2.1
187.38899	0.3
195.13910	0.5
197.01195	0.4
199.04016	0.5
206.99634	3.3
211.03996	0.5
223.13353	0.5
225.00699	17.7
226.02924	0.4
227.03433	1.3
229.05092	0.5
241.00186	1.2
243.01788	1.5
243.03285	0.4
245.04587	0.8
255.02907	3.9
256.03409	0.4
271.02493	7.3
272.03003	0.8
284.03375	1.8
285.03928	2.3
286.04303	0.4
293.21179	0.6
299.01852	1.1
299.04736	3.3
300.02728	9.5
301.03503	12.2
302.03952	0.7
307.12103	0.3
315.04135	0.7
368.98337	0.3
371.06534	1.6
385.08176	0.9
399.09521	1.3
413.11227	1.3
427.12720	0.6
429.08240	0.7
431.26633	0.4
441.14331	0.8
447.09296	1.5
447.15411	0.3
455.15869	2.9
481.17117	0.4
495.19067	2.2
496.18823	0.3
507.19116	0.5
523.18488	1.0
524.19244	0.8
569.09943	0.4
593.14783	4.5
593.26324	100.0
594.14893	1.1
594.26666	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	593.2635
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
56.84493	0.6
57.03331	0.9
59.01239	2.2
60.71336	0.6
61.98420	0.8
61.98708	9.0
63.96109	1.6
69.03342	0.7
71.00892	0.9
71.01253	8.7
71.53137	1.1
72.80771	0.6
73.02813	2.0
75.00755	0.8
78.98466	6.0
79.95611	11.4
80.96392	75.5
81.03339	1.0
85.02827	3.2
87.00743	2.7
91.53268	0.6
94.97967	17.3
95.01299	0.9
96.95900	2.3
97.02833	2.6
101.02308	3.1
106.97970	3.9
109.02868	0.7
121.02859	0.8
122.97476	7.0
125.02350	3.5
127.03896	0.9
134.97459	5.3
136.99033	1.2
137.02338	0.8
148.99043	5.8
152.98544	6.8
164.98528	12.3
182.99602	2.8
188.98560	0.7
206.99614	2.5
225.00700	18.1
227.03423	1.9
243.01730	1.7
255.02907	2.3
275.20016	0.8
284.03235	3.6
285.03922	4.2
299.04422	1.6
343.28436	1.5
379.10281	0.7
539.48737	0.6
593.26312	100.0
594.26697	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	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40781	0.3
54.63580	0.4
59.01246	1.3
62.96267	0.5
78.95776	72.6
89.44568	0.4
92.72598	0.4
96.96841	13.9
149.54488	0.5
150.97902	1.2
152.99490	100.0
153.99837	1.4
171.00603	2.6
208.36093	0.4
223.00073	9.7
233.22682	0.5
241.01155	24.7
242.01520	0.8
259.02222	1.6
277.21722	42.1
278.22095	4.3
281.76642	0.4
315.04852	17.7
316.05209	1.2
333.05923	1.1
350.80789	0.5
494.79642	0.4
593.27307	70.5
594.27679	12.2
594.37268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56353	0.5
58.28069	0.4
59.01249	1.6
61.44247	0.4
61.98715	0.7
71.01240	0.6
71.45481	0.8
78.30997	0.5
78.95779	74.0
80.81018	0.5
84.47330	0.5
89.02328	0.6
93.94658	0.5
96.96846	15.7
113.02287	0.4
121.02832	1.1
124.63995	0.4
124.75322	0.5
129.74879	0.4
134.50412	0.5
150.97896	1.1
152.99495	64.9
153.99828	1.2
162.37274	0.5
171.00508	0.5
190.86646	0.5
209.11784	5.8
223.00081	2.2
227.03436	0.6
241.01160	33.3
242.01453	0.9
255.02933	1.0
259.02374	0.6
259.20660	0.7
277.21725	52.0
278.22064	4.6
284.03354	0.8
285.04208	2.4
309.20609	0.9
315.04898	11.0
316.05280	0.6
333.05988	0.7
356.67087	0.5
413.21051	6.4
414.21118	0.8
593.27313	100.0
594.27661	15.7
594.37195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.9
75.00755	0.6
78.95778	68.8
96.96844	13.6
98.20565	1.0
150.97993	1.2
152.99493	100.0
153.99852	1.1
171.00557	3.5
222.98071	0.9
223.00085	11.8
241.01152	23.9
242.01578	0.7
243.70415	0.6
259.02255	1.8
277.21719	46.1
278.22089	4.6
285.04224	0.6
289.09927	0.5
315.04877	18.4
316.05249	1.4
322.16162	0.4
333.06055	1.0
411.89197	0.6
486.13809	0.6
593.27325	76.2
594.27777	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	594.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69489	2.1
57.03329	4.2
58.02837	8.6
71.54173	2.0
74.02342	10.4
83.01276	2.0
86.02325	5.0
87.05507	2.8
95.04931	2.8
97.02812	2.4
99.05527	10.5
102.05494	2.1
102.65458	2.5
121.02852	2.4
123.04391	3.5
125.02346	31.0
128.03441	32.1
133.02794	2.2
135.05530	2.8
137.02333	9.7
139.99216	2.0
141.00053	15.6
143.04518	40.8
146.04515	2.5
149.02322	5.7
153.06505	2.6
161.02316	6.4
162.98894	2.0
164.01047	2.2
165.01820	7.0
166.09744	2.4
175.04037	2.4
179.04518	7.0
183.01134	8.8
210.08777	8.6
254.07748	14.2
271.02206	2.9
272.08890	100.0
277.05331	2.0
289.07053	3.0
299.01895	5.9
301.03397	3.6
306.07193	2.8
321.04395	40.5
322.04709	2.7
380.43494	2.1
456.10672	6.6
594.13879	7.8
595.13824	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	595.1305
Annotation	Peltatoside
Peak:m/z	Relative Intensity
63.13466	0.6
65.00214	1.3
70.43736	0.6
71.34287	1.0
74.38134	0.7
77.72713	0.7
90.66967	0.6
107.01213	0.7
108.02024	0.9
120.73082	0.6
133.60175	0.6
148.01587	1.1
151.00302	4.7
178.99760	2.9
193.47845	0.6
226.02563	1.2
227.03438	2.2
243.02972	7.7
244.03586	0.9
254.02182	1.7
255.02988	21.8
256.03430	1.6
271.02478	43.7
272.02823	5.5
299.02042	1.6
300.02750	100.0
301.03207	12.1
343.04401	0.8
349.34406	0.6
401.67709	0.7
595.13013	43.8
596.13538	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	595.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09907	0.5
57.03326	7.2
59.01252	4.5
61.98706	8.7
63.02260	1.0
65.00191	5.0
67.01750	0.8
69.31388	1.8
69.31806	2.8
71.01250	6.9
72.99184	2.1
73.02808	0.7
75.00740	0.9
81.03310	2.5
83.01257	5.7
83.40446	0.6
85.02827	1.7
87.00767	0.9
88.98687	1.3
89.02310	1.1
93.03345	3.5
95.01258	1.3
95.04883	0.6
96.87757	0.6
97.02814	1.1
98.48853	0.6
99.13423	0.6
101.02315	1.9
107.01264	7.2
108.02049	1.1
109.02824	1.5
111.00745	1.6
111.02466	0.5
113.02319	1.3
115.00255	7.9
117.03335	8.4
119.01199	0.6
119.04922	6.1
121.02834	2.5
123.00772	6.4
123.04432	5.6
124.01549	5.5
125.02335	49.3
126.02660	1.4
132.02017	0.7
133.00374	0.9
133.01335	11.2
133.02840	2.4
133.06444	1.1
135.04424	1.9
137.02347	2.7
139.00276	0.9
139.03923	4.4
145.02853	23.4
146.03232	1.2
147.00795	0.9
148.01497	0.9
149.02330	5.3
149.99492	2.4
150.03131	1.3
151.00273	22.3
152.01071	4.8
153.01855	7.2
153.05479	7.0
154.02202	0.7
157.06465	1.0
158.03622	0.9
159.04401	0.9
161.02330	1.4
161.05943	1.3
163.00270	2.7
163.03923	5.4
164.01050	0.8
164.04701	1.0
165.01837	6.0
165.05507	1.5
167.03366	0.6
169.01315	1.0
169.06429	0.9
172.05179	2.3
173.06018	5.3
175.00259	2.4
175.03896	2.1
176.01051	4.8
177.01811	1.8
177.05441	1.3
177.98965	1.1
178.99786	10.8
179.03358	2.6
180.00342	0.9
181.06448	0.9
183.02954	1.7
187.07652	1.1
190.02628	8.1
191.03394	2.1
195.06560	1.9
197.05994	2.6
199.03896	1.1
201.05444	1.5
205.04994	8.2
206.05336	0.9
209.04517	1.0
213.05447	1.0
215.07071	5.3
223.06195	0.8
225.05502	3.1
241.05043	3.9
243.06563	3.2
259.06094	67.5
260.06448	6.7
265.07275	0.7
268.03772	1.1
269.04541	100.0
270.04871	7.9
272.06876	1.8
283.05957	0.7
285.04031	0.6
287.05600	29.7
287.09229	13.1
288.05865	2.7
288.09238	1.2
307.04895	1.3
307.08234	15.9
308.08618	1.3
311.05548	1.1
343.12097	0.8
433.11481	1.7
479.22513	0.7
479.31744	0.6
488.09671	2.7
520.08752	1.0
567.14948	1.4
577.13605	5.8
578.14008	1.5
595.14752	25.5
595.27478	9.8
596.14532	4.9
596.27985	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	595.1461
Annotation	Okanin 4'-(6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
53.43999	0.5
57.03326	5.9
59.01251	5.3
61.98704	22.2
62.72129	0.5
63.01830	0.8
63.02267	1.8
65.00202	4.3
67.01765	0.5
69.03331	0.6
71.01247	4.5
71.54844	0.6
72.99171	0.9
73.02809	1.1
74.02335	0.6
75.00745	3.3
81.03329	4.3
83.01257	6.7
85.02826	1.0
87.00754	0.7
88.98651	0.8
89.02319	1.5
93.03339	5.9
95.01231	0.7
96.95925	1.0
97.02816	1.5
101.02319	1.4
103.47649	0.5
106.00761	0.5
107.01279	6.2
109.02848	3.4
111.00761	1.2
113.02341	1.9
117.03366	3.3
119.04918	3.3
120.99557	0.7
121.02872	2.5
123.00796	0.8
123.04417	3.1
124.01569	2.9
125.02341	51.0
126.02673	1.5
131.04863	1.3
133.02849	3.9
134.03625	1.2
135.00688	0.7
135.04425	2.4
137.02341	2.6
139.03940	3.6
145.02858	8.0
145.06476	1.4
147.04440	1.0
149.02365	3.1
150.03107	1.3
151.00273	19.9
151.03943	1.2
152.01060	4.2
153.01854	11.1
153.05431	0.7
156.05530	0.6
157.06493	1.0
158.03665	0.8
159.04370	1.0
160.01559	1.1
161.02328	2.2
161.05951	0.6
163.00278	1.5
163.03903	2.6
164.04694	0.6
165.01888	3.6
165.05511	1.4
166.02582	0.7
167.03389	1.7
169.01305	1.4
172.05219	4.0
173.06013	10.2
175.00293	2.4
175.03893	2.8
176.01105	1.5
177.01814	2.0
177.05562	2.8
178.99802	12.7
179.03413	1.3
181.01324	1.4
181.04974	1.1
183.02972	0.8
187.03984	0.7
187.07578	1.0
190.02638	1.5
191.03290	0.9
195.02986	0.6
196.65353	0.5
197.06035	1.4
199.07643	1.4
200.04784	1.6
201.05504	3.5
203.03366	0.6
205.05006	1.9
207.02924	0.9
213.05577	0.8
214.06120	0.6
215.07091	13.4
216.07431	0.7
223.13547	0.6
241.05081	2.4
243.06606	6.4
244.07135	0.6
259.06104	100.0
260.06433	8.7
265.07281	0.8
269.01971	0.9
269.04581	9.5
269.07272	0.8
271.06003	1.4
272.06540	0.6
273.07742	1.0
283.06134	14.2
284.06461	1.0
285.03738	0.7
287.05621	62.0
288.05878	5.6
298.04718	0.6
300.02850	0.6
301.07135	5.7
307.08286	2.0
311.05634	1.5
325.06995	1.1
329.06509	0.7
375.27609	1.0
405.09872	2.3
449.10666	1.4
461.10898	2.3
485.41373	0.6
535.21497	0.6
551.15546	0.7
567.15063	16.1
568.15417	2.3
577.13403	2.9
578.14160	0.8
595.14117	4.9
595.25104	1.8
595.34424	5.2
596.15009	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	595.146
Annotation	Okanin 4'-(6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
54.84555	0.8
57.03326	1.6
59.01249	8.6
61.98704	43.5
65.00198	8.1
71.01250	5.7
71.54730	0.7
72.99201	1.6
73.02837	1.0
75.00764	0.9
83.01247	5.0
85.02816	2.1
87.00733	0.8
88.98681	5.5
89.02303	2.4
91.01781	1.0
93.03326	3.1
95.01208	1.0
95.16550	0.6
101.02310	3.7
107.01267	12.9
109.02840	3.4
113.02341	2.5
115.19134	0.7
117.03319	2.5
119.04935	5.9
121.02853	28.2
122.03147	0.7
123.04407	2.5
125.02333	5.4
131.04961	0.9
132.02092	1.2
133.02837	1.6
134.03539	1.0
135.00754	1.4
135.04424	29.4
136.04811	0.8
137.02330	2.4
139.03940	1.3
140.10371	0.6
143.04887	1.0
145.02869	13.0
145.06410	0.8
146.03195	0.9
147.00662	0.9
150.03058	1.0
151.00285	43.0
152.00607	1.4
153.01825	1.1
153.05472	1.7
155.04941	0.7
157.06483	1.0
159.04468	1.5
160.01625	1.4
161.02403	5.2
161.04494	2.4
163.00281	2.5
163.03918	3.3
164.01022	1.0
165.01820	1.3
165.05470	1.9
167.03442	1.5
169.01453	1.4
171.04521	1.0
175.00287	2.6
175.03949	2.1
177.01817	2.2
179.03450	1.3
179.10683	1.2
181.05003	0.9
183.06534	1.4
185.06039	2.3
187.03969	3.6
189.05563	1.5
190.02635	2.4
191.03366	1.2
193.05061	0.8
195.04356	1.0
195.06493	0.9
196.09602	0.7
197.05989	1.2
199.03902	1.2
205.05026	2.8
206.02075	1.2
211.03915	2.7
213.05507	3.0
223.06075	1.0
227.03452	19.4
227.07155	2.8
228.03888	1.6
229.05038	12.7
235.08235	1.2
237.09753	5.9
239.03453	2.9
240.04248	1.1
241.05081	1.8
255.02991	30.1
256.03574	5.0
257.04565	7.5
267.02991	1.2
269.04498	0.9
283.02429	1.9
284.03262	37.8
285.04037	100.0
286.04388	10.7
287.05621	32.9
288.05914	3.9
291.08734	1.5
307.08105	5.5
373.25919	1.1
374.26163	1.8
375.27496	11.6
376.27899	4.8
377.27979	1.2
429.13806	1.3
431.09900	5.2
459.09534	1.3
473.10883	27.4
474.11313	4.1
501.10446	1.4
565.13397	3.0
577.13501	35.4
578.13739	6.7
595.14587	10.3
595.26807	2.9
596.14868	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	595.1672
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
65.00181	1.6
68.99707	1.2
79.01770	2.0
81.03339	2.0
83.01257	3.6
93.03346	6.9
95.01276	2.7
95.04946	1.5
97.02814	4.3
99.00763	1.6
105.03363	1.2
107.01267	7.5
107.04906	2.5
109.02831	4.1
111.00744	1.2
111.04409	3.7
113.02327	1.3
117.03300	1.2
119.04050	2.2
119.04919	43.8
120.05252	2.4
121.02831	4.8
123.00769	1.5
123.04407	5.0
125.02320	12.0
135.04399	3.2
136.01537	1.5
137.02321	5.5
139.03915	7.7
143.04933	5.4
145.02858	7.1
147.04401	3.0
149.02339	6.1
150.03139	2.2
151.00256	5.9
151.03894	3.5
155.03413	1.2
159.04317	1.3
161.02357	3.1
161.06013	2.7
163.00299	4.5
163.03926	5.3
164.01036	1.7
165.01819	5.2
166.02649	1.4
167.03416	10.1
175.03912	2.0
177.01833	5.8
179.03375	4.3
185.06035	1.3
187.03905	7.7
189.01962	1.1
191.03439	4.7
193.01372	10.7
197.04478	3.1
199.07574	2.2
203.07253	1.2
205.01332	6.1
205.05212	1.0
206.02031	1.4
207.02971	3.3
209.04506	5.6
219.02948	5.1
221.04436	2.5
223.02396	3.1
227.07109	3.2
233.04514	2.0
235.02444	15.1
239.05551	3.0
245.08087	1.9
247.02519	1.8
249.03983	3.0
261.04022	3.1
265.03543	4.7
265.08527	1.4
269.08240	1.6
271.05923	5.2
271.12125	1.5
283.06210	2.2
289.07208	1.9
313.07208	20.8
314.07465	1.6
325.07153	8.7
339.08640	1.8
343.08008	7.6
353.06253	1.6
355.08234	100.0
356.08606	13.4
365.02121	1.5
367.08185	3.4
385.09286	83.0
386.09793	9.5
397.09100	4.3
399.10791	1.3
415.10324	25.5
416.10654	4.1
439.10214	1.8
445.11041	1.6
457.11365	13.0
458.11920	2.8
469.11401	1.7
475.12454	41.9
476.12744	5.4
487.12534	9.2
505.13632	12.3
506.14020	2.6
547.46124	1.4
577.15948	6.2
595.16681	90.7
596.16998	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2189
Annotation	Kadsulignan D
Peak:m/z	Relative Intensity
56.85942	0.6
59.01236	2.6
61.98707	20.3
71.01254	1.6
71.53638	0.8
85.02811	1.0
87.00763	0.6
88.98661	1.2
89.02306	1.8
89.03841	2.7
95.01208	0.6
95.04891	0.7
101.02332	1.7
105.03369	1.0
107.04919	0.7
107.25298	0.6
109.02834	1.1
113.02314	0.9
117.03345	6.5
119.04916	2.1
121.02808	1.8
123.04440	1.1
126.54143	0.6
131.59676	0.6
132.02063	8.2
133.02872	11.2
134.03639	75.8
135.04457	26.6
136.01573	1.0
136.04752	1.4
137.02339	8.1
137.05963	0.7
139.03926	1.9
145.02884	0.9
147.04407	2.3
148.05196	2.0
149.02354	1.0
149.05981	6.7
150.03096	1.4
151.00233	1.3
151.03918	1.3
152.01056	1.3
153.05501	0.7
159.04361	0.8
160.01578	18.3
161.02394	7.9
161.05931	0.8
162.03069	0.8
164.04810	0.7
165.01805	1.0
165.05521	0.6
165.09071	0.7
166.02638	2.8
167.03383	0.9
175.03928	12.3
177.01952	0.8
178.02655	5.4
179.03432	20.6
180.03835	1.5
181.05028	3.1
187.03844	0.8
191.03450	1.3
192.04198	0.8
193.05003	42.5
194.05341	1.9
205.04971	1.4
207.06560	6.5
218.25761	0.6
271.02341	0.7
300.02719	0.7
341.10968	1.0
371.10733	0.9
386.13940	0.9
387.14575	1.5
401.16187	1.0
580.19598	5.3
581.20111	1.0
595.21857	100.0
596.22211	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2761
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
50.01077	0.4
54.52006	0.4
55.01749	0.5
57.03318	1.1
58.11749	0.4
59.01258	4.0
61.98708	3.4
65.00191	1.2
71.01256	5.1
71.34924	0.9
72.99151	0.6
73.02811	1.9
81.03358	0.6
83.01259	1.4
85.02824	3.3
87.00756	0.9
89.02310	1.1
91.01772	1.1
93.03341	1.5
95.01265	0.6
95.04842	0.4
99.00748	0.5
101.02322	3.7
107.01287	0.8
107.04886	0.7
109.02834	0.7
111.00761	0.6
113.02325	1.7
115.00243	1.2
117.03287	0.9
119.01279	3.2
119.04939	1.0
121.02851	3.1
123.00751	1.1
123.04423	1.3
123.60581	0.5
124.01534	0.6
125.02337	7.4
126.24647	0.4
133.01329	1.9
133.02861	0.6
134.03632	1.5
135.04410	2.4
137.02406	0.6
139.03914	0.6
145.02841	3.0
147.00795	5.2
149.02353	10.7
150.03064	1.0
151.00287	3.3
151.03900	1.1
152.01065	2.6
153.01869	1.3
153.05487	1.3
161.02324	0.6
163.02724	0.5
163.03909	3.1
164.04706	9.3
165.01808	1.7
165.05403	1.6
166.02655	0.5
169.05005	1.0
175.00294	24.3
176.00771	1.9
177.01865	0.7
177.05515	0.5
178.99785	1.4
179.03438	0.8
179.07048	1.8
190.02649	65.2
191.03072	5.2
194.02058	0.6
201.05452	0.6
205.05009	64.7
206.05391	4.3
207.02983	1.0
207.06522	0.5
208.03725	1.4
209.04570	2.3
223.06070	8.8
224.06474	0.7
241.04997	0.7
242.33337	0.4
251.05461	1.0
259.06094	10.0
260.06485	0.9
269.04526	13.8
270.04843	1.6
287.05637	3.1
287.09100	1.2
288.05920	0.6
307.08188	1.5
316.79257	0.5
369.08286	0.4
403.13971	2.4
418.16425	1.0
433.18753	3.0
434.18732	0.6
503.98679	0.5
565.22668	2.4
580.25214	1.6
595.27655	100.0
596.15179	0.7
596.27966	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	595.2889
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01237	0.7
61.98686	0.6
69.24511	4.7
69.83695	0.5
77.36803	0.6
78.95775	64.7
83.14990	0.6
94.63513	0.6
96.95889	0.9
96.96844	11.6
100.05521	0.5
105.56676	0.7
150.97900	1.3
152.99489	100.0
153.99808	1.3
171.00537	3.2
189.25404	0.6
223.00099	10.9
241.01147	27.1
259.02206	1.8
279.23285	65.1
280.23602	7.1
315.04852	18.6
316.05130	0.9
333.05942	1.4
595.28876	81.6
596.29205	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	595.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32290	0.5
59.01257	0.8
62.32149	0.4
70.74608	0.6
70.74930	1.3
76.58778	0.5
78.95777	64.5
80.91528	0.7
86.81687	0.6
90.50445	0.5
96.96843	12.2
97.71100	0.5
122.11495	0.6
136.54733	0.6
150.97952	1.1
152.99493	100.0
153.99837	1.7
171.00520	2.6
208.51007	0.6
218.68907	0.5
222.97823	0.7
223.00092	9.9
224.00388	0.5
241.01166	24.5
242.01523	0.7
259.02252	2.2
279.23297	60.4
280.23672	6.2
315.04877	17.5
316.05283	0.9
318.85257	0.6
333.06015	1.2
454.26187	0.6
595.28894	81.8
596.29254	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	595.2893
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
60.54623	0.8
61.98698	2.6
63.40183	0.7
71.54279	1.0
78.95778	71.0
87.11073	0.8
96.96844	16.3
121.02926	1.1
134.98448	1.0
137.02316	0.9
139.15587	0.9
150.97945	1.4
152.99495	65.5
153.99870	1.5
171.00635	0.9
207.10263	1.1
223.00116	2.2
241.01169	36.2
271.02362	1.2
279.23303	71.1
280.23654	9.5
295.22726	1.1
315.04880	12.0
316.05206	1.0
317.06696	1.2
341.04190	1.2
415.22363	8.0
433.23578	1.3
595.28937	100.0
596.29291	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61999	5.3
53.62878	5.4
57.03304	5.4
59.01253	42.8
59.54438	4.7
61.98701	13.8
70.40741	14.0
70.58965	4.5
71.01256	36.1
73.02837	8.2
75.00770	6.4
75.03291	5.1
83.01270	6.3
85.02842	12.0
89.02318	18.3
95.01217	5.6
95.04861	6.2
101.02331	24.8
103.03838	5.5
111.00737	7.6
113.02366	10.3
123.04438	40.5
125.02334	12.1
151.00150	5.6
153.05489	63.0
161.04480	10.3
191.03346	6.9
227.06859	5.6
255.02943	31.2
256.03226	7.7
271.02435	30.9
284.03201	9.2
285.03656	10.6
286.03894	6.4
300.02689	59.7
301.03372	21.0
343.12061	6.5
373.12930	10.1
389.16229	7.6
433.15253	26.8
502.53815	5.7
535.27606	100.0
536.27930	11.5
595.12823	55.0
596.13806	14.0
605.29675	5.5
612.16846	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	595.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29337	0.5
55.01754	0.8
57.03316	1.4
59.01252	9.3
60.99178	15.0
61.98703	82.8
66.98898	0.6
69.81713	1.9
71.01260	9.0
72.99189	1.5
73.02807	3.0
75.00754	1.5
83.01265	1.9
85.02828	4.4
87.00732	3.8
87.04381	2.8
88.00280	3.4
88.98678	100.0
89.02319	17.9
89.99070	0.9
93.03345	2.4
99.00748	0.7
101.02323	5.6
104.85283	0.5
107.01305	0.9
109.02846	1.3
111.00723	0.7
113.02341	2.9
118.96849	0.7
119.04920	1.0
121.02807	1.2
123.04391	1.4
124.01527	0.7
125.02341	4.2
133.10101	0.6
135.11630	1.8
137.02353	5.1
145.02855	3.0
147.04387	1.0
151.00250	3.2
151.03906	1.3
152.00764	1.0
153.01813	0.6
160.01563	1.2
161.02365	0.8
161.04390	2.1
161.09592	1.9
163.00284	0.7
163.03897	1.2
165.01808	0.8
175.03857	1.6
178.99779	1.3
179.03329	1.1
179.10690	5.0
187.03888	0.6
190.02592	1.0
205.04929	1.5
227.03381	1.5
227.07088	0.7
239.05518	1.5
255.02840	1.9
256.03336	1.2
257.03513	1.3
259.05402	0.6
271.02359	2.4
272.02750	1.7
273.02921	0.9
285.03790	2.5
299.07446	1.5
300.02856	4.1
301.03275	5.3
302.03665	5.8
303.04105	3.6
331.11780	1.2
332.11899	0.6
339.83270	0.6
341.08591	2.5
377.61444	0.6
389.21851	1.2
449.09634	1.1
463.32782	7.5
464.32581	1.0
595.13605	6.8
595.28705	2.0
595.36481	3.5
596.14063	1.5
596.36902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23101	0.7
53.97753	0.7
57.03304	1.4
59.01255	6.4
61.98698	12.4
68.99678	2.1
69.03330	0.9
71.01260	6.6
71.06411	1.2
72.99171	1.8
73.02816	1.6
75.00749	17.9
81.03321	7.8
83.01263	7.5
85.02813	2.9
87.00751	0.8
89.02319	2.3
93.03346	7.0
94.56056	0.6
95.01243	2.3
95.04902	5.0
96.95895	0.9
97.02838	5.2
99.00774	0.7
99.04373	2.9
101.02291	2.7
107.01245	1.1
107.04897	2.4
108.02045	2.0
109.02855	4.5
109.06445	0.8
111.00751	2.1
111.04401	3.1
113.02338	2.5
115.00278	2.4
119.04910	7.4
121.02821	4.1
121.06469	1.2
123.00763	2.4
123.04407	17.6
125.02328	14.7
133.01292	4.6
135.04399	3.4
137.02354	7.0
137.05994	7.5
138.03145	1.5
139.03905	9.9
145.02864	1.4
147.04414	4.1
149.02333	2.7
149.05989	1.8
150.03099	2.1
151.00313	1.2
151.03923	6.2
153.05473	2.5
154.02603	0.9
155.03432	1.6
159.04362	1.0
161.02280	1.5
161.05986	1.9
162.03133	1.0
163.03920	5.5
163.07581	0.8
164.04669	1.0
165.01804	2.8
165.05505	6.8
166.02600	1.8
167.03404	28.8
168.03783	1.1
175.03908	2.0
177.01805	2.6
177.05476	2.3
179.03416	10.2
179.06976	1.9
180.04147	1.6
181.04961	3.1
189.01889	1.7
189.05515	7.9
191.03444	2.8
193.05003	3.9
195.06502	1.6
197.04474	4.8
203.03479	1.0
205.05020	1.0
206.02141	0.8
207.02921	1.5
207.06561	2.5
209.04492	28.8
210.04845	1.6
217.01328	1.1
219.02948	2.3
220.03801	0.8
221.04524	5.0
223.06023	0.9
228.03789	0.9
229.08636	2.8
231.06529	0.9
233.04517	1.4
235.06059	1.4
239.05591	10.0
240.05943	0.9
251.05573	2.8
256.03384	1.2
257.03745	1.3
263.05515	1.4
267.65146	0.9
269.06653	2.5
271.02286	0.8
273.07608	3.9
281.06619	1.5
285.03714	0.8
285.07559	1.5
286.04166	1.0
300.02835	1.1
315.08725	18.8
316.08896	1.9
327.08762	7.9
341.06519	2.6
341.10208	1.7
345.09808	6.5
355.08102	0.9
357.09769	100.0
358.10187	10.0
369.09592	4.3
370.09851	0.9
371.11401	1.7
387.10849	78.2
388.11261	7.7
399.10876	5.3
417.11932	24.6
418.12094	3.6
429.12067	2.5
435.10956	2.2
459.12930	10.0
460.13049	0.8
463.08972	1.1
477.14050	17.1
478.14166	2.1
489.13968	6.6
507.15146	2.7
536.27869	1.5
537.27649	0.9
540.38513	0.9
579.17102	2.4
597.17908	11.1
597.34424	1.9
598.18262	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	597.183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79122	1.7
54.56993	1.9
54.67456	1.6
59.01253	4.3
67.73611	1.6
68.99672	1.8
71.01275	8.1
73.02840	4.1
83.01261	2.9
85.02825	3.6
87.00758	30.5
89.02326	3.7
93.03316	3.6
98.19803	3.4
99.00802	4.3
100.01511	3.0
101.02322	2.7
103.92742	1.7
108.02036	2.0
109.02851	2.5
111.00774	19.4
112.98685	4.3
121.02840	4.4
122.03635	11.8
123.00763	7.4
123.04394	1.8
129.01822	1.9
136.01555	2.7
137.02319	1.8
142.99765	2.2
147.02975	1.8
149.02353	25.9
150.03139	91.6
151.03833	4.7
161.02316	5.8
161.07414	1.7
163.03960	4.2
164.04720	13.2
165.05489	100.0
166.02615	6.6
166.05843	4.3
173.00868	11.6
174.01602	3.8
175.03932	3.2
176.04669	5.4
178.06259	2.5
179.03442	6.3
179.07069	7.2
179.31566	1.6
180.04250	8.3
181.05046	10.9
186.79634	1.5
189.05510	2.4
190.02690	3.9
191.03448	6.2
193.08594	3.5
194.05827	4.6
195.04797	3.2
195.06570	45.9
203.03387	1.9
205.05046	3.8
206.05760	3.4
209.08110	7.5
219.02890	3.8
221.08141	9.2
229.74532	1.9
234.05315	2.4
236.19246	1.7
246.01842	1.8
247.02443	5.8
247.06230	3.4
249.04126	3.1
249.07613	4.5
261.03998	4.2
262.04755	8.1
264.06436	4.1
265.07263	6.7
276.06451	4.5
277.07123	13.9
278.07605	2.2
337.09280	40.4
338.09641	3.3
339.08487	1.9
369.13449	8.5
370.13876	2.4
385.12808	1.8
413.12436	4.5
443.13223	2.7
461.14572	37.0
462.14795	5.7
473.14679	3.7
485.15247	2.7
491.15970	2.3
503.15927	1.8
521.16516	4.6
533.16595	7.7
579.17133	15.4
580.17798	2.1
586.46234	2.0
597.18280	90.5
598.18402	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	598.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.2
59.01258	2.7
61.98704	100.0
62.54616	0.2
62.98406	0.2
65.32915	0.2
66.91353	0.2
71.01250	1.1
71.55055	0.2
72.99164	0.2
73.02840	0.4
75.00743	0.5
81.03345	0.4
83.01251	0.4
85.02839	0.7
87.00767	0.3
88.98708	0.2
89.02339	0.8
90.68334	0.2
93.03321	0.2
96.95885	0.4
101.02348	0.8
104.46178	0.2
107.04945	0.3
108.02125	0.2
109.02859	0.6
111.00806	0.2
113.02329	0.4
115.00269	0.2
117.03339	0.2
119.04910	0.3
121.02848	0.5
123.00753	0.2
123.04410	4.1
124.04773	0.7
125.02357	0.7
133.01324	0.2
133.02849	1.3
134.03633	0.4
135.04451	0.7
135.08134	0.2
136.01561	0.2
137.02342	0.9
138.03133	0.2
139.00269	0.3
139.03955	0.4
145.02910	0.7
147.04411	0.3
149.02382	0.8
149.05972	0.3
150.03127	2.0
151.00276	0.2
151.03937	1.3
152.04321	0.3
153.01848	0.2
153.05487	3.7
154.05824	0.7
155.03439	0.2
155.10736	0.3
160.01645	0.3
161.02368	5.0
161.04449	0.3
162.02763	0.4
163.00269	0.2
163.03937	0.4
164.04607	0.2
165.01945	0.4
165.05496	2.1
166.05843	0.2
167.03455	0.6
175.03952	0.8
176.04628	0.2
178.02597	0.3
179.03380	0.4
179.07025	0.2
181.05035	0.4
183.10266	0.2
190.02646	0.4
191.03336	0.2
193.04973	0.6
195.06569	1.3
205.05095	0.3
209.08214	0.5
210.92995	0.2
229.08682	0.6
235.06157	0.4
255.06763	0.4
271.06094	0.3
273.07700	0.4
289.07349	0.4
315.11035	0.4
328.09897	0.2
343.11969	0.5
385.12613	0.2
393.91168	0.2
401.63861	0.2
403.13983	1.3
405.62827	0.2
488.10693	0.5
535.25543	5.0
536.25684	1.0
561.29626	0.4
562.30078	0.3
562.62671	0.2
563.22803	0.3
567.17902	0.2
598.29468	0.6
599.18854	0.5
599.28912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.9
61.30212	0.2
61.98705	100.0
62.98414	0.2
70.41518	0.4
70.41871	0.3
71.01269	0.5
75.00731	0.3
88.98676	0.3
96.95908	0.2
98.19812	0.2
101.02359	0.3
108.16083	0.2
113.02337	0.3
117.03397	0.3
123.04456	0.5
125.02369	0.5
133.01375	0.2
137.02370	0.2
145.02846	1.4
149.02365	0.4
150.03169	0.7
151.03981	0.3
153.05516	0.4
161.02386	0.4
163.03960	0.4
165.01897	0.2
165.05525	0.5
167.03476	0.2
168.11719	0.2
179.03438	0.2
180.04233	0.2
195.06746	0.2
205.05122	0.3
285.04163	0.3
289.07227	0.2
463.09189	0.3
535.25671	1.5
536.26038	0.3
599.23169	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.3
59.01252	13.0
61.98703	36.2
63.99140	0.8
66.91729	0.5
69.03315	0.8
71.01248	3.0
71.54748	0.7
75.00750	1.1
81.03352	3.0
83.01262	4.0
83.04884	0.6
85.02827	1.1
87.00765	0.9
88.98672	0.8
89.02306	1.5
93.03343	1.9
95.01251	0.7
95.04906	3.6
96.95917	0.9
97.02830	5.8
99.04371	0.9
101.02309	1.2
107.04917	0.7
108.02025	0.9
109.02842	19.2
113.02322	1.3
117.03342	0.7
120.99545	2.3
121.02836	4.2
122.03595	1.8
123.04412	15.5
125.02338	16.1
133.02802	0.9
135.04411	2.8
137.02347	25.9
139.03926	4.1
139.11218	1.2
145.02856	2.3
146.03654	1.9
149.02348	6.5
150.03096	2.5
151.03915	11.0
157.06465	0.8
159.04469	2.9
160.05235	1.5
161.02391	4.3
161.06001	5.0
162.03108	1.8
162.06343	0.6
163.03941	1.8
164.01018	4.0
164.04723	1.3
165.01848	9.4
167.03453	2.1
171.10219	3.5
173.05966	0.9
173.40491	0.6
175.03928	3.2
175.07582	1.9
179.03442	7.0
179.06978	1.4
181.04996	0.7
183.10204	2.2
185.06017	1.2
187.03929	4.9
188.04713	4.4
189.01898	1.4
190.02477	0.6
192.11311	0.6
195.06534	1.0
199.07527	0.9
201.05409	1.2
202.06262	1.5
203.03473	0.9
203.07074	12.9
204.07542	0.9
205.04994	8.9
209.11768	3.0
212.04642	0.8
212.09540	0.6
221.08224	3.2
227.07097	3.1
231.02907	1.0
244.23337	0.7
245.08167	20.0
246.08482	1.2
247.06068	1.1
271.06070	1.8
289.07184	100.0
290.07510	8.8
313.07138	2.0
367.08163	0.6
378.52429	0.7
433.11563	0.9
434.08899	0.7
437.15643	1.2
451.12357	4.1
452.13181	0.8
599.21478	16.8
599.34460	5.7
600.21582	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	599.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23395	0.4
52.75238	0.4
57.03330	2.8
59.01252	5.9
61.98705	17.3
65.54262	0.5
69.03340	0.4
69.83228	1.1
69.83623	1.1
71.01262	3.0
72.99161	0.6
73.02793	0.6
75.00755	1.1
81.03336	2.0
83.01263	3.4
85.02818	1.3
88.98674	0.7
89.02314	1.2
89.99953	0.5
93.02792	0.6
93.03350	1.8
95.01258	0.7
95.04908	2.1
96.95863	0.5
97.02824	3.7
99.04394	0.7
101.02319	1.3
101.03062	0.4
107.04890	0.5
108.02052	0.7
109.02834	16.5
110.03223	0.6
113.02335	1.3
119.03365	0.5
119.04948	0.9
121.02827	2.7
122.03669	0.5
123.04410	12.5
124.01559	0.6
125.02344	13.7
135.04431	2.4
137.02347	18.7
138.03139	0.6
139.03896	2.8
143.04996	0.5
145.02872	1.1
146.03615	1.0
147.04369	0.9
148.01500	0.4
149.02335	5.9
150.03120	1.8
151.03923	7.8
153.05460	1.2
159.04411	1.7
160.01599	0.6
160.05203	0.7
161.02379	5.6
161.04659	0.9
161.05983	4.8
161.09700	0.5
162.03079	1.5
163.03889	1.8
164.01091	2.5
165.01852	6.9
165.05511	0.7
166.02618	0.4
167.03426	2.5
171.10182	1.4
173.05969	0.9
174.03229	0.7
175.03946	2.6
175.07574	1.7
177.01920	0.6
177.05516	0.6
179.03419	5.6
179.07005	0.4
180.03966	0.4
181.04936	0.5
185.06021	1.0
187.03963	3.6
187.11253	0.8
188.04691	3.8
189.01851	1.8
189.09230	0.8
190.02679	0.6
191.03329	0.9
193.05074	0.8
195.06558	0.6
199.07439	0.5
201.05560	0.7
202.06335	1.9
203.03462	0.8
203.07077	10.9
204.07556	0.8
205.05022	8.0
209.11758	1.6
221.08150	1.8
227.03432	0.6
227.07112	2.5
230.05698	0.7
231.02907	0.6
245.08167	16.0
246.08493	0.9
247.06068	1.2
255.02966	1.3
271.06122	2.5
284.03244	1.2
285.03970	0.7
289.07187	100.0
290.07535	9.3
313.07196	1.6
355.08026	0.7
403.13809	0.7
433.11575	0.7
437.16183	1.0
451.12332	1.9
507.21030	0.5
515.88245	0.5
531.83575	0.4
537.20996	1.1
546.44983	0.5
599.21558	8.0
599.31396	4.6
600.22064	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	599.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	4.5
58.00478	4.3
59.01255	100.0
61.98703	36.2
62.37136	3.6
69.32864	12.1
69.33289	20.4
71.01249	58.7
72.43310	3.8
72.99163	7.0
85.02824	22.8
87.00731	5.9
88.98708	6.3
89.02319	76.2
95.01276	7.1
96.95937	5.0
101.02345	30.2
113.02338	23.4
119.03394	24.0
123.04477	7.6
125.02322	10.1
135.04402	5.6
143.03433	7.8
149.02348	4.8
156.90617	4.4
161.02361	13.8
161.04517	10.2
177.01811	4.9
177.05609	5.6
179.05522	35.9
181.05054	5.3
182.43123	5.0
191.01895	9.1
205.63335	4.6
380.26468	4.4
382.61142	4.3
437.18225	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	599.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53065	0.2
55.31821	0.2
59.01252	0.3
61.98703	100.0
67.68680	0.2
71.54446	0.5
71.54803	0.3
79.37579	0.2
90.03504	0.2
96.95940	0.3
108.71529	0.2
123.78228	0.2
133.29604	0.2
134.13643	0.2
142.49025	0.2
152.33031	0.2
168.37402	0.2
244.27377	0.2
289.82217	0.2
299.69400	0.2
346.75772	0.2
397.33762	0.2
492.55103	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.9
61.98703	100.0
62.98417	0.3
69.88795	0.2
71.01254	0.9
71.53775	0.3
73.02826	0.4
78.60934	0.3
79.74192	0.3
83.01282	0.3
101.02335	0.6
109.02828	0.3
113.02334	0.3
123.04344	0.4
137.02420	0.5
139.03975	0.3
151.03986	0.3
161.04564	0.3
165.01813	0.3
167.03435	0.4
170.59782	0.3
171.08952	0.3
171.10187	1.5
172.10437	0.3
179.88918	0.3
209.11841	0.9
209.88072	0.2
210.12177	0.4
211.13228	0.6
227.03561	0.3
256.03619	0.3
273.07654	0.4
290.07394	0.3
355.24921	0.3
383.31293	0.3
537.22906	0.3
548.88068	0.3
600.21936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27797	0.7
57.03313	2.7
58.00457	3.2
59.01251	56.3
61.98700	1.0
68.99703	1.1
69.03322	1.3
71.01254	53.2
71.54369	1.1
72.01577	1.1
72.99181	4.0
73.02817	3.0
78.95756	1.0
83.01267	5.9
85.02822	8.9
87.00755	16.0
89.02318	57.8
90.02660	1.2
95.01247	2.5
96.95894	1.2
97.02785	0.8
99.00777	1.6
101.02320	28.4
111.00742	0.9
113.02328	26.7
115.48199	0.9
119.03393	21.8
125.02309	1.7
129.01785	1.0
131.03391	4.2
141.01797	1.3
143.03406	7.9
149.04482	2.3
161.04483	8.6
167.64864	0.7
171.10153	1.5
179.05548	21.9
186.53726	0.9
210.05009	0.9
225.92186	1.1
277.21719	100.0
278.22092	9.2
291.23325	6.5
301.21729	1.0
319.22708	3.1
323.09836	11.6
324.10147	1.5
331.24832	2.7
341.10907	39.1
342.11566	3.7
601.31952	1.7
601.46539	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87055	1.3
57.03308	3.3
59.01239	2.4
61.98696	4.0
71.53638	1.5
78.95721	1.3
83.37210	1.1
85.84241	1.4
95.78017	1.2
97.06458	13.7
104.71114	1.2
123.08067	7.4
124.92268	1.0
125.09617	100.0
126.09949	5.6
143.10612	1.5
169.08594	2.2
171.10225	2.5
177.28165	1.1
187.09685	79.3
188.09979	4.8
211.13293	2.3
243.12389	2.3
261.13397	10.3
431.22781	23.3
431.28665	1.3
432.23203	2.0
583.31470	1.9
601.32330	75.5
602.32764	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	601.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00610	1.0
57.03304	2.9
59.01249	100.0
61.98703	43.0
69.92300	1.1
71.01257	16.9
71.54185	1.5
72.99170	1.9
73.02818	2.8
75.00731	1.8
77.23177	1.2
80.32689	1.2
83.01250	2.2
85.02803	5.7
87.00718	3.3
88.98682	2.1
89.02299	5.0
93.03385	1.6
95.04865	1.9
96.46705	1.3
96.95884	2.1
99.00791	2.0
99.04395	2.7
101.02335	9.8
109.02853	2.7
113.02322	6.4
114.60143	1.1
121.02825	1.3
123.04401	2.2
124.01514	1.3
124.19813	1.4
124.51074	1.1
125.02326	6.0
131.03348	1.8
137.02284	1.3
139.03893	7.0
145.02841	2.2
149.02365	1.6
151.03990	2.8
161.02287	2.0
161.04451	4.5
171.10205	7.4
178.99556	1.3
183.13841	1.6
207.13689	1.4
209.11757	6.0
211.13345	7.0
221.06529	3.1
225.14886	6.3
227.12840	34.0
228.13000	2.6
259.06036	3.5
269.13763	2.0
285.07880	1.4
287.05505	3.8
287.14838	1.5
289.07205	1.4
313.07269	6.0
331.17395	2.8
422.17194	1.5
422.28900	3.0
439.17471	3.9
583.31189	9.7
584.31519	2.2
601.32214	67.4
602.32629	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	602.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	0.4
61.98703	100.0
62.98408	0.3
65.61723	0.2
71.01256	0.3
113.35620	0.2
125.02395	0.5
135.04462	0.3
149.97942	0.2
150.03166	0.3
151.03960	0.3
161.02327	0.3
165.05472	0.3
226.38022	0.3
239.33878	0.2
255.54630	0.2
504.63031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70930	2.6
61.98705	100.0
69.32835	12.1
69.33240	5.8
71.18170	2.6
76.17272	2.8
92.62891	2.9
98.20605	5.9
111.78225	2.7
125.73286	2.8
142.61671	2.7
155.00664	2.7
196.89761	2.7
277.10532	2.9
357.27921	2.8
407.64307	3.0
581.61804	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	603.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34894	0.7
57.03327	1.4
59.01259	8.0
61.98704	16.4
66.34875	0.6
68.78741	0.6
69.03316	1.4
70.94168	1.9
71.01254	7.8
72.99192	1.9
73.02818	1.8
78.95753	1.2
81.03324	1.0
83.01260	2.9
85.02828	3.6
87.00764	0.8
89.02320	3.2
93.03352	2.0
95.01296	1.3
95.04910	1.5
96.95890	1.8
97.02825	3.6
99.00752	2.0
101.02320	3.2
105.03316	0.9
108.02052	2.0
109.02846	18.7
113.02319	2.0
114.32173	0.7
117.03354	14.8
119.04917	60.4
120.05223	2.2
121.02885	3.5
122.03628	7.7
123.00761	1.2
123.04422	18.1
124.01563	4.5
125.02348	6.6
132.02094	1.1
133.02873	1.6
134.03619	2.4
135.04456	4.7
136.01599	0.8
137.02365	12.6
138.03186	1.6
139.03908	2.5
145.02864	57.4
146.02243	1.0
146.03282	2.2
148.05177	5.1
149.02333	6.2
150.03122	4.4
151.03926	11.8
153.05438	1.5
154.02596	1.7
159.04440	1.8
160.01604	5.5
161.02388	5.5
161.04713	0.9
161.05972	4.0
162.03070	2.0
163.00244	1.1
163.03920	42.0
163.07616	1.1
164.01036	2.6
164.04604	1.4
165.01857	15.3
165.05487	3.2
167.03394	0.9
170.90221	0.8
175.00395	0.9
175.03932	9.1
175.07582	0.8
176.00914	1.2
176.02234	3.3
176.04643	2.2
177.03117	3.5
177.05493	2.5
178.06247	3.8
179.03416	2.8
179.07024	0.9
181.05028	3.7
182.05649	0.9
187.03864	1.4
188.04718	2.3
190.02654	3.2
191.03392	2.6
191.07069	2.3
193.04991	3.5
195.06587	2.2
197.08099	0.8
201.05627	1.2
203.03444	2.3
203.07097	5.9
205.04990	10.8
206.05711	2.3
207.06609	1.3
208.07295	0.7
217.05003	1.0
219.06528	3.7
220.03754	1.9
221.08081	6.4
223.06085	1.5
231.06604	1.0
235.06088	5.0
244.07449	1.4
245.08237	1.0
247.06114	3.4
247.13417	1.1
248.06761	0.7
249.07674	5.1
250.05013	0.9
259.13406	1.3
265.07147	6.4
277.14417	10.1
278.14603	0.7
287.12979	1.9
288.06345	1.6
289.07037	1.7
289.14523	4.7
295.08356	1.6
301.14438	2.7
307.08276	2.6
313.14789	0.9
316.12915	0.9
317.13864	3.7
319.15280	1.1
329.13708	0.9
331.15515	2.8
337.09222	7.1
339.08224	1.8
367.10336	6.2
379.19339	1.0
397.20319	2.0
423.18106	9.0
424.18253	1.0
427.09692	5.2
441.19177	100.0
442.19543	12.3
451.19666	1.1
457.13382	6.3
458.13882	0.9
471.12961	2.1
555.21667	1.1
603.17053	53.0
603.24945	18.9
604.17334	9.6
604.25250	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	603.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.9
59.95247	1.6
60.99169	11.2
61.98691	3.0
69.22871	15.5
72.51996	1.7
78.95774	3.0
79.99619	1.6
87.00739	4.1
88.00270	13.2
88.98677	79.7
89.02319	100.0
96.95868	3.1
124.34346	1.7
147.39670	1.5
152.99493	2.0
163.83498	1.6
171.10211	2.6
174.00600	1.8
218.23866	1.6
243.68318	1.7
295.22833	2.4
390.36252	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	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.8
60.98889	1.3
60.99178	5.4
70.28545	3.3
70.28940	2.3
87.00765	5.1
88.00279	10.9
88.98682	34.2
88.99243	2.0
89.02319	100.0
89.79075	1.2
96.95872	1.5
277.21738	1.8
279.39880	1.3
381.61975	1.3
584.95862	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
59.72239	0.4
60.01583	1.5
60.58170	0.4
70.02702	1.0
70.03087	1.4
73.14936	0.4
88.19386	0.4
88.61797	0.4
105.23542	0.4
114.43906	0.5
141.78235	0.4
184.36823	0.4
277.21744	4.0
286.35651	0.5
291.23306	1.5
381.08923	0.4
383.62280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74491	0.1
55.66117	0.1
56.86462	0.1
58.83910	0.1
59.01256	0.4
61.98707	100.0
64.23574	0.1
69.29471	1.1
69.80171	0.1
71.01246	0.2
71.82794	0.1
75.00768	0.1
76.04407	0.1
98.19842	0.3
101.02486	0.2
125.02396	0.2
209.11900	0.2
230.02452	0.2
300.59781	0.2
482.11664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39317	0.3
55.01757	0.5
57.03309	0.8
58.00461	0.9
59.01252	20.9
61.98423	0.3
61.98706	3.6
70.02845	1.1
71.01256	14.8
72.21144	0.3
72.99174	1.5
73.02815	1.0
78.95747	0.4
83.01251	1.0
83.04900	4.3
85.02827	3.4
87.00769	0.6
89.02319	10.5
95.01249	1.1
95.63033	0.4
96.95908	0.6
98.02328	0.9
99.00764	0.4
101.01696	0.6
101.02328	9.2
108.08076	1.5
109.06481	1.4
113.02329	4.2
117.09773	0.4
119.03393	4.6
122.53445	0.4
126.09126	2.6
136.07584	0.6
147.50089	0.4
161.04387	0.6
179.05562	0.6
187.69870	0.3
194.11623	0.4
200.96864	0.3
223.20668	0.6
225.22202	7.4
226.22462	0.4
253.21748	1.4
270.24271	2.0
271.22726	1.1
296.25949	1.1
312.25360	0.9
350.30646	0.7
380.31683	2.8
387.82376	0.3
398.32852	1.3
404.81128	0.4
424.30902	0.9
442.31491	0.5
560.37939	0.9
586.36108	0.5
604.37042	100.0
605.37402	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2409
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
59.01208	0.3
70.91600	0.3
70.91933	0.5
71.53963	0.3
73.44807	0.2
83.19247	0.2
85.89601	0.3
98.09592	0.3
106.94490	0.3
147.46951	0.3
177.06856	0.3
281.35266	0.3
349.51907	0.3
396.13055	0.3
415.15619	1.0
416.16748	0.7
429.17105	1.2
430.18259	1.6
430.50366	0.4
443.18854	1.0
444.20154	0.6
455.19153	0.6
456.15729	0.4
457.21072	2.0
458.17395	0.3
458.20850	0.4
459.17569	3.0
460.18378	0.7
461.23468	0.5
468.19843	0.3
470.20810	0.8
471.18765	1.9
472.19003	0.9
473.19644	5.7
474.20132	1.0
475.21448	0.5
485.18781	2.0
485.24838	0.4
486.20697	4.3
487.21307	1.3
492.04236	0.3
496.18866	0.9
499.17676	2.8
500.22144	0.3
501.23636	3.1
502.20209	0.5
511.21494	2.9
512.22021	0.7
513.19336	2.8
514.20007	9.0
515.20526	1.7
517.18579	0.9
518.19556	1.4
527.20313	0.3
528.21631	0.9
529.22461	100.0
530.22772	21.2
530.30975	0.5
532.21106	1.8
533.21954	2.1
534.22522	0.7
546.22101	0.3
561.25146	1.2
573.21393	1.4
605.24316	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	605.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88996	2.2
75.45891	0.6
75.94685	0.7
91.35411	0.7
92.64865	0.9
98.19841	0.7
430.17889	1.7
457.20010	1.9
458.20770	0.8
459.18311	3.0
461.23535	0.7
471.18228	1.9
472.18951	1.1
473.19650	5.5
474.20416	1.0
485.19629	2.1
486.21152	3.1
487.21436	1.5
496.18924	0.7
499.17731	2.2
500.17627	0.8
501.22910	3.0
511.21497	2.6
513.19348	3.2
514.19952	10.9
515.20526	1.4
518.19604	1.1
528.21100	1.0
529.22455	100.0
530.22821	20.6
532.21191	1.9
533.21722	1.8
573.21503	1.1
605.23993	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30656	3.4
59.01254	44.2
61.98703	100.0
71.01252	53.6
71.54100	4.8
72.99182	6.2
73.02811	8.7
74.61465	3.4
83.01256	5.1
85.02811	20.4
87.00780	4.2
89.02319	48.8
95.01254	4.5
96.95892	4.9
99.00762	4.4
101.02325	40.3
113.02328	20.7
119.03399	13.0
125.02337	6.1
131.03368	4.4
138.18912	3.0
141.84804	3.1
143.03401	6.5
161.04463	14.3
179.05528	38.4
199.06046	4.4
221.06592	13.0
302.64948	4.1
460.41760	3.7
545.29565	25.4
546.30438	3.7
597.28210	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	606.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52467	0.7
54.64434	0.6
56.23417	0.6
59.01253	2.2
60.48598	0.5
61.98705	100.0
63.80705	0.7
71.01256	2.6
71.54377	0.6
73.02821	0.6
75.88334	0.6
80.96392	0.6
83.01251	0.8
85.02847	0.6
87.80906	0.6
89.02328	1.2
101.02325	0.9
119.60620	0.6
125.02317	3.5
220.52271	0.6
363.14630	0.6
521.85773	0.6
607.13251	0.7
607.24426	1.2
622.57788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.1
57.03310	3.9
58.00465	4.8
58.29410	1.0
58.55135	1.0
59.01253	100.0
59.79993	1.1
60.01581	1.3
61.98705	52.6
64.95303	1.1
68.94427	1.1
70.02844	1.9
71.01255	72.0
71.54544	1.0
72.99190	9.3
73.02821	4.5
75.00772	2.9
78.95751	1.6
83.01262	4.8
83.04887	2.6
85.02828	15.1
85.06475	1.2
87.00751	5.7
88.03892	2.7
88.98613	1.1
89.02319	73.7
90.02635	1.6
95.01261	4.1
95.04929	1.5
96.95888	1.8
97.02836	1.2
97.06515	1.4
98.02380	1.4
99.00755	2.1
101.02326	46.5
103.03874	3.5
108.08059	3.4
109.33459	1.3
113.02335	27.7
119.03402	37.2
123.04443	1.4
125.02335	3.2
126.09132	6.9
131.03386	4.5
138.01871	3.2
138.09090	2.6
139.59734	1.3
143.03416	7.5
145.02838	1.8
149.04443	4.0
153.05482	1.6
156.10201	2.4
161.04469	9.1
165.05458	1.1
166.08661	1.9
166.59628	1.2
179.05554	17.4
184.09685	2.2
189.65759	1.2
201.66774	1.2
207.10303	1.2
239.20178	1.7
241.21643	8.6
243.03049	3.6
255.02951	6.5
265.12897	4.3
267.10785	1.5
270.01889	1.1
271.02466	10.5
285.04224	1.6
286.23853	1.6
287.22256	6.2
299.01907	2.2
300.02734	13.6
312.25446	5.4
314.04395	2.4
315.05099	41.9
327.25269	1.7
328.25079	1.7
341.26926	1.4
357.26517	4.5
358.26718	2.4
359.27942	10.5
373.29611	1.8
408.31104	3.4
426.32272	43.3
427.32605	8.2
444.33350	19.9
445.33673	3.3
451.49124	1.2
546.75159	1.2
606.38629	81.7
607.14343	3.0
607.24493	2.1
607.27856	2.1
607.38068	24.7
613.88715	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	606.3861
Annotation	Roseocardin
Peak:m/z	Relative Intensity
55.01743	1.8
57.03312	1.8
58.00469	0.7
59.00948	0.6
59.01252	12.0
61.98705	8.9
70.02839	1.5
71.01255	16.8
72.99168	1.4
73.02821	7.0
75.00770	1.1
80.96368	1.3
81.03334	0.5
83.01266	4.0
83.04900	3.8
85.02338	0.7
85.02824	9.6
85.99971	1.6
86.02343	1.3
87.00742	2.0
88.03917	1.1
88.98692	0.7
89.02323	3.9
90.77365	0.4
95.01247	1.3
95.04894	1.0
96.95917	2.8
96.96848	0.8
98.02358	2.6
99.00774	4.2
99.04467	0.4
101.02327	14.5
102.02659	0.6
106.06470	0.5
106.21976	0.4
108.08066	1.7
109.06477	1.5
111.00751	1.8
113.02321	6.5
114.02693	0.5
119.03384	0.6
123.04390	1.0
124.07562	1.9
125.02312	1.5
126.09109	2.2
135.04440	0.5
136.07529	0.8
137.02322	0.6
138.09105	0.6
143.03407	0.6
145.02823	0.9
150.03134	0.5
153.05530	0.7
154.08653	2.7
159.02873	1.3
161.02353	0.6
161.04482	4.4
161.09583	0.5
163.03905	0.7
165.05440	1.1
171.10162	0.8
175.03896	0.7
177.05481	0.6
179.06938	0.6
180.04079	0.6
184.09688	1.1
193.05013	0.6
195.06575	1.4
202.10742	2.1
209.11784	0.8
225.18568	0.6
239.20079	1.0
241.21724	4.2
251.11348	6.6
267.10681	2.4
269.21127	0.6
282.24158	0.5
286.23834	2.0
287.22122	0.9
310.23810	0.5
312.25305	1.5
328.24997	2.7
330.26395	1.0
343.24866	1.1
346.72867	0.4
355.24976	2.8
357.26456	3.6
359.28104	0.6
360.28775	0.5
373.25983	9.3
375.27710	0.8
383.26312	0.4
396.31378	1.1
403.26956	3.7
403.74063	0.5
404.27731	0.5
409.08353	0.4
412.54147	0.4
431.26526	20.9
432.26865	2.8
443.48395	0.5
444.33560	3.7
448.29071	1.6
449.27377	4.5
450.27658	0.8
461.23441	0.7
474.30606	0.7
490.30295	2.8
491.30176	0.5
540.35645	2.5
541.34418	0.5
547.27209	0.6
552.35187	0.6
558.36682	3.6
561.43066	0.5
570.36353	0.8
576.37787	2.6
588.37665	3.7
589.38708	1.0
606.38586	100.0
607.24451	1.7
607.39038	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	607.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.7
57.03324	2.7
58.00464	0.5
59.01253	10.4
61.98706	15.0
69.03319	0.9
71.01254	15.2
71.04880	0.8
72.99179	1.5
73.02824	4.5
75.00739	1.7
83.01257	2.8
83.04887	0.5
85.02827	5.7
87.00739	1.1
88.98674	1.7
89.02319	5.5
93.03381	0.6
95.01260	1.3
96.95825	0.5
97.02811	1.2
97.06467	0.5
99.00744	2.2
101.02323	14.3
105.05454	4.0
109.02834	0.7
111.00729	0.4
113.01621	0.6
113.02337	7.7
113.09455	0.3
117.03316	0.5
119.03378	1.9
119.04862	0.5
120.56984	0.3
121.02856	0.9
123.04382	1.3
125.02339	4.6
125.09627	0.4
131.03387	0.5
134.03604	0.8
137.02342	4.6
139.11153	1.2
143.03392	0.8
145.02863	1.0
146.03590	0.7
149.05986	0.6
150.03107	0.5
153.05496	0.9
159.02901	1.5
159.04240	0.7
160.01587	0.8
161.04468	16.4
162.04718	0.5
163.03886	0.6
164.01039	0.8
164.77536	0.4
165.01854	2.7
167.03404	1.2
175.03790	0.4
179.03413	0.8
179.05524	1.1
185.11777	2.8
193.05013	0.5
195.06543	0.5
205.03473	0.7
207.10173	0.4
227.16537	2.9
229.67288	0.4
262.53159	0.4
267.10840	55.7
268.11200	2.9
271.13254	0.5
279.71799	0.4
289.07053	0.5
297.24307	1.7
309.24344	1.7
311.22260	1.7
311.25632	0.5
313.23621	0.5
321.24310	0.8
325.23715	0.5
327.25385	13.5
328.25739	1.5
339.25378	2.9
340.26077	0.4
341.26910	1.1
355.24826	0.7
357.26456	100.0
358.26776	12.2
359.27991	3.0
360.28162	0.4
373.25571	0.5
373.29669	1.0
375.27594	0.5
415.23422	0.5
568.22552	0.6
590.22510	0.7
607.12610	0.4
607.26563	0.9
607.36725	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	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12230	0.5
62.40266	0.5
63.02278	0.8
65.00192	1.2
69.00497	0.5
83.01257	0.9
98.19817	1.9
107.01279	2.4
108.02073	1.1
109.02814	0.9
121.02834	1.5
135.00763	0.8
143.47487	0.6
148.01604	1.0
151.00279	8.4
163.00253	1.9
164.00993	0.8
178.99808	4.5
226.02724	0.8
227.03474	1.9
229.05171	0.8
243.02956	7.3
244.03470	0.6
245.04465	0.8
254.02158	1.7
255.02975	18.5
256.03290	1.9
271.02478	41.5
272.02927	4.6
283.02518	1.2
284.72668	0.6
299.01898	0.9
300.02753	73.7
301.03482	35.6
302.03839	2.1
326.44897	0.6
343.04581	1.0
540.67590	0.7
609.14606	100.0
610.14996	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	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16600	0.6
54.04261	0.5
54.85255	0.6
58.47439	0.7
63.02255	0.6
65.00195	3.0
68.99686	0.8
69.30574	5.8
83.01269	1.4
88.15565	0.6
90.65988	0.6
93.03327	2.1
95.01241	0.9
98.19796	1.0
107.01252	2.5
108.02063	1.3
109.02853	1.3
109.99979	2.4
111.00739	2.2
117.03336	1.3
121.02884	1.0
123.00756	2.4
123.04440	0.7
124.01538	0.7
125.02298	2.0
132.02013	0.8
135.00739	1.4
136.98683	1.5
137.99463	0.9
139.00244	3.2
143.04945	0.7
151.00269	8.7
152.01053	2.6
153.01828	1.1
156.84216	0.6
159.04440	1.4
161.02335	0.7
163.00244	2.1
165.98979	4.2
166.99789	3.2
167.04976	0.9
171.04443	1.9
173.05937	1.1
176.97624	0.7
178.99818	6.1
180.00456	0.7
182.03548	0.8
183.04393	2.4
185.06116	1.2
187.03908	3.2
193.01289	0.9
193.98395	1.0
194.99208	0.9
198.03157	1.0
199.03906	2.1
201.05481	2.3
209.00984	0.7
210.03041	0.7
211.03960	3.6
215.03395	1.4
216.04216	0.9
223.46487	0.7
226.02655	2.6
227.03462	9.4
228.04080	2.0
229.04977	2.6
239.03392	2.0
243.02977	16.8
244.03366	2.1
245.04536	2.0
254.02142	3.5
255.02962	38.5
256.03415	4.1
257.04562	4.4
271.02484	45.6
272.03152	13.7
273.03766	2.8
282.01718	1.8
283.02478	14.2
284.02936	2.0
285.04019	2.2
299.01999	1.5
300.02744	63.8
301.03513	49.1
301.06360	0.7
302.03809	4.2
336.75320	0.7
345.05692	0.7
447.09085	0.9
591.13733	1.3
609.14594	100.0
610.15009	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	609.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67151	0.3
55.01757	0.6
57.03328	2.3
58.00457	0.4
59.01252	7.1
60.99169	0.6
61.98704	13.9
62.51086	0.3
63.02271	0.7
65.00198	4.1
69.03326	0.7
69.24019	2.2
69.24422	0.6
71.01250	11.5
72.99184	0.3
73.02818	3.7
75.00745	1.2
79.01742	0.3
80.96394	0.6
81.03331	0.4
83.01273	3.3
85.02818	3.9
87.00747	0.8
88.98667	4.1
89.02324	5.7
93.03345	2.3
93.66535	0.3
95.01247	0.7
95.04927	0.4
96.95863	0.3
97.02853	0.5
99.00771	1.7
101.02328	11.2
105.05463	2.2
107.00539	0.3
107.01273	6.8
108.02105	0.4
109.02855	0.5
111.00718	0.3
113.02325	4.7
117.03369	0.7
119.03513	1.7
119.04911	11.8
121.02818	0.8
123.04401	0.9
125.02324	4.2
127.11195	0.4
129.01874	0.4
130.33192	0.3
131.01259	0.4
131.03386	0.4
132.02034	0.5
133.02870	0.7
134.03601	1.1
135.00749	0.4
137.02354	2.6
137.09634	0.6
143.03362	1.5
143.04993	0.4
145.02856	2.5
149.02341	0.8
150.03101	0.5
151.00279	22.0
151.03900	0.4
152.00609	1.1
153.05408	1.0
159.02991	1.6
159.04205	0.3
160.01619	2.4
160.02757	0.5
161.02332	1.0
161.04466	13.8
161.05792	0.6
162.04753	0.4
163.03915	1.0
164.01068	0.8
165.01839	2.4
165.05479	0.8
167.03490	0.8
169.01328	1.2
175.00273	1.2
175.03897	3.1
177.01833	2.3
178.99786	0.7
179.03529	0.4
179.05530	1.2
179.07019	0.5
185.06041	0.7
185.11708	0.5
187.03943	1.1
188.04674	0.4
191.06964	0.4
193.01340	0.4
193.05003	1.6
195.06526	1.0
209.11902	0.3
227.03606	0.4
227.07089	1.2
229.04884	0.5
243.03024	0.9
251.11365	0.7
253.21776	0.4
255.02975	2.6
256.03351	0.4
267.10846	46.9
268.11224	3.1
271.02579	5.5
271.06097	37.9
271.22836	0.6
272.03302	0.7
272.06424	4.1
277.02734	0.4
295.06055	1.0
295.22919	0.5
300.02765	8.3
301.03476	4.4
302.03784	0.6
311.22388	0.8
311.25909	1.0
313.07187	1.0
313.23804	5.7
314.24133	0.9
337.09332	4.1
338.09793	0.4
339.25543	0.4
341.27069	1.6
357.26382	2.3
358.26627	0.4
359.28027	100.0
360.28360	13.6
375.27454	1.6
453.51477	0.4
553.30927	0.3
609.14697	10.7
609.28400	2.0
610.14880	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	611.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	19.1
58.43724	0.8
59.01249	10.1
59.08232	0.8
61.98702	17.9
63.02271	1.4
65.00185	3.6
69.28060	1.5
69.28465	6.7
71.01243	4.3
72.99181	1.6
81.03322	1.2
83.01242	6.1
85.02827	2.8
87.00731	2.6
88.98689	1.8
89.02328	1.9
93.03316	1.5
95.01261	3.9
96.48180	0.9
97.02815	1.1
101.02309	2.0
107.01273	6.3
107.04944	1.1
108.02048	2.4
109.02831	5.2
111.00773	2.6
113.02345	2.1
117.03348	5.4
117.29424	0.9
119.04911	4.6
120.99533	2.1
121.02848	7.0
122.03597	2.2
123.00751	1.9
123.04398	7.2
124.01541	7.1
125.02336	100.0
126.02672	3.0
133.02846	6.8
134.03624	1.0
135.04417	3.9
137.02335	4.6
139.03859	2.9
143.04944	1.3
145.02853	21.0
146.03432	1.7
146.95303	0.8
147.00742	1.0
147.04404	2.5
149.02353	9.7
150.03098	3.4
151.00281	19.5
151.03947	9.0
152.01047	11.2
153.01822	7.9
159.04457	1.6
159.73277	1.0
161.02383	4.5
161.04472	1.4
161.05934	3.1
162.02928	1.7
163.00253	3.7
163.03931	5.7
164.00975	1.5
164.04735	6.1
165.01845	1.2
165.05350	2.8
167.03419	1.5
169.01350	1.5
173.05943	2.0
174.03091	2.7
175.00307	8.5
175.03917	7.5
176.01044	2.2
177.01851	10.4
178.99776	15.2
179.03386	2.5
179.07066	2.2
179.10722	3.0
187.03874	2.5
188.04623	1.8
189.05496	9.6
190.02638	18.3
190.05905	1.4
191.03346	2.9
192.04045	1.0
193.04980	2.9
199.03975	5.3
201.05544	1.1
203.07109	2.0
205.04990	19.1
206.05611	1.1
211.03778	1.7
213.05501	2.2
215.07129	2.6
216.04175	2.2
217.03085	1.4
217.05032	21.6
218.05371	1.4
223.06105	6.1
227.03383	2.5
229.04994	2.3
231.06479	2.4
241.05055	4.9
243.02943	6.2
245.04433	1.9
255.03001	13.4
256.03503	2.9
257.04172	2.0
259.06094	20.4
260.06366	2.7
265.07123	3.2
269.04584	3.7
271.02481	24.5
272.02863	3.5
273.03610	1.8
275.05545	2.6
283.02292	1.4
284.03156	3.0
285.04022	32.9
286.04306	3.7
287.05551	2.5
299.01895	1.3
300.02744	50.8
301.03476	41.2
302.03677	6.4
303.04996	10.0
303.08548	2.2
307.08234	4.9
313.03442	1.8
325.08746	1.2
369.11996	1.2
373.36871	1.0
375.27451	2.1
421.11346	2.7
437.10574	1.6
447.09341	64.3
448.09552	7.9
457.11456	1.0
465.10245	10.5
485.10587	2.2
567.14917	3.9
583.14569	3.9
583.62622	1.0
593.13086	14.1
594.13556	2.2
611.14020	82.6
611.26819	26.4
612.14447	15.1
612.27216	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	611.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	9.8
59.01249	6.3
61.98706	10.5
62.50506	1.0
62.64141	0.9
65.00188	5.9
66.19394	0.8
68.99693	1.0
69.49129	6.4
71.01257	4.2
72.99185	1.1
75.00764	1.1
83.01263	5.7
85.02811	1.6
87.00772	1.0
88.98650	1.3
89.02319	3.1
91.01781	1.2
93.03333	2.4
95.01268	1.4
95.04941	1.0
96.95904	1.6
97.02837	1.9
101.02322	1.7
107.01285	8.8
109.02831	5.9
111.00839	1.2
113.02350	1.2
117.03331	3.5
119.01262	2.2
119.03405	1.8
119.04905	3.9
120.99549	10.0
121.02851	9.1
121.99886	1.3
122.99156	4.8
123.00799	1.1
123.04404	4.5
124.01519	2.1
125.02345	100.0
126.02675	2.8
131.01233	1.3
132.02037	1.0
133.02885	1.3
135.00781	1.1
135.04440	1.6
137.02333	3.9
139.03915	3.0
143.05003	1.1
145.02855	12.8
146.03215	1.3
147.00746	1.1
149.02351	20.6
150.03146	2.5
151.00282	31.4
151.03932	4.8
152.01024	3.3
152.04367	1.2
153.00639	2.1
153.01845	37.5
159.04434	1.1
160.01578	1.4
161.02371	4.6
161.05969	1.6
163.00278	5.2
163.03941	3.2
164.04681	7.3
165.01843	3.4
165.05519	1.5
166.02510	1.3
167.03403	2.4
169.01331	2.1
171.04483	1.9
173.02565	0.9
174.03145	3.5
175.00308	12.6
175.03931	12.4
177.01868	25.3
178.99792	21.0
179.03456	1.1
179.07066	1.8
181.01324	2.6
185.05984	1.2
187.03937	1.9
188.04657	1.7
189.01877	1.0
189.05438	4.7
190.02634	23.1
191.03368	4.3
193.01369	1.5
193.04996	1.3
195.02922	2.9
195.06606	1.5
199.03952	6.7
201.01811	2.0
205.01190	1.1
205.05014	23.9
206.05649	2.1
207.02977	1.3
213.05368	2.1
213.14944	5.5
216.04236	1.4
217.05019	8.1
218.05466	1.0
219.02939	1.2
221.08116	2.8
223.06032	8.4
227.03429	7.8
228.03976	1.3
229.05042	3.5
231.06561	1.4
240.89404	1.1
241.05052	6.6
243.02904	2.3
251.05655	1.2
255.02983	13.1
256.03580	3.0
257.04453	3.1
259.06012	5.4
265.07178	5.9
267.02576	1.0
275.05646	17.8
276.05832	1.6
284.03281	18.3
285.04044	80.4
286.04321	6.5
299.05762	5.7
301.03311	3.2
302.03537	1.5
303.05115	70.0
304.05423	6.4
307.08334	3.2
327.05219	1.6
341.06900	1.1
346.03421	1.5
420.08636	1.1
447.09064	1.8
461.10934	7.7
462.10947	1.8
487.08636	3.8
487.15872	2.1
488.09467	1.3
489.10431	7.0
489.16513	1.4
567.14691	1.4
583.14886	4.5
593.13110	12.2
594.13354	2.2
611.14600	7.7
611.27020	39.2
612.13757	1.0
612.28400	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	611.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	2.5
59.01256	4.6
61.98706	14.8
63.02249	0.4
65.00192	0.9
69.81685	2.2
71.01270	1.4
72.99178	1.0
75.00764	0.8
81.03331	10.6
83.01266	4.7
85.02837	0.6
87.00782	0.8
88.98701	1.5
89.02331	0.7
93.03336	7.2
95.01266	0.6
95.04936	0.7
97.02879	0.4
101.02316	0.9
104.26454	0.4
105.01814	5.2
107.01240	1.0
107.04922	0.5
108.02117	0.7
113.02345	0.8
119.04926	9.9
120.99566	0.5
121.02856	1.0
123.00778	0.4
123.04414	29.5
124.01502	0.5
124.04797	0.8
125.02339	20.0
126.02691	0.6
131.03407	0.4
132.02069	1.3
133.02853	0.6
134.03644	1.5
135.04396	2.2
137.02327	1.3
138.01918	0.8
138.03108	0.7
143.58492	0.5
145.02888	1.1
149.02373	3.4
149.05984	0.6
151.00269	3.6
151.03906	0.6
151.74948	0.5
152.01118	0.5
153.01912	0.4
153.05469	1.7
160.01595	4.0
161.02367	2.5
161.04538	0.4
163.03934	1.1
164.04715	1.1
165.01863	1.1
165.05516	1.0
166.02557	2.0
167.03416	70.0
168.03749	2.9
175.03897	3.3
176.01118	1.1
176.04623	1.2
177.01830	0.9
177.05455	0.5
179.03435	9.8
179.07069	1.3
180.04037	0.8
181.05009	1.4
187.07642	0.6
189.05513	1.5
190.02669	0.6
191.03453	3.0
192.04056	0.5
193.05020	1.5
194.05821	2.0
195.06522	1.5
202.89803	0.4
205.04956	0.7
206.05759	0.4
209.04509	1.3
209.08134	3.8
223.06064	1.1
225.07640	0.7
229.08751	0.6
235.06120	0.9
255.06641	0.5
265.07132	1.0
271.06079	0.5
272.02875	0.4
273.07684	100.0
274.08035	9.0
285.04257	0.7
295.08252	0.9
297.07700	0.9
300.02725	0.5
301.03470	0.6
315.84583	0.4
337.09500	2.1
360.38382	0.5
371.11081	0.4
376.28055	0.4
401.12439	2.0
402.13132	0.6
403.13992	0.5
463.12534	0.8
611.17120	2.9
611.26215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	3.5
61.98705	48.7
66.32641	0.5
71.01266	1.5
77.53513	0.5
77.91805	0.5
78.95773	0.6
83.01244	0.7
85.02843	0.5
86.90134	0.5
96.95897	0.9
98.19749	0.9
101.02258	0.6
101.44186	0.5
113.02364	0.6
120.99547	100.0
121.99871	1.7
123.04404	1.8
125.02348	0.9
128.26422	0.5
151.03944	0.7
153.05466	2.6
164.04677	0.6
190.02739	0.9
195.04758	1.0
205.05058	1.2
209.11870	0.7
255.36734	0.6
300.02780	1.9
301.03357	1.1
301.19870	0.6
308.25525	0.5
357.26440	1.0
580.21527	0.6
611.16840	1.5
611.27399	1.7
611.37744	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	611.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01589	1.0
61.98703	0.8
69.27627	2.0
95.27256	0.3
98.85786	0.3
101.02341	0.4
113.02334	0.4
149.02408	0.5
160.01665	0.5
161.02357	0.4
161.04517	0.7
164.04848	0.4
165.05536	0.4
177.01917	1.1
179.03419	0.4
190.02640	0.7
192.04282	0.4
205.05000	0.4
223.06076	0.5
227.03592	0.3
228.27692	0.3
244.62442	0.3
255.03011	0.5
265.07123	0.7
270.09122	0.8
271.02493	0.6
273.03186	0.8
285.11340	1.0
297.07791	0.3
297.12198	0.3
298.08398	0.6
299.09073	0.4
300.02917	0.9
301.03287	0.8
302.03619	1.3
303.04132	0.5
311.09171	0.4
314.07980	1.1
325.10480	0.4
326.08023	0.3
329.10275	3.2
341.10349	3.4
344.12610	4.3
345.13171	1.0
356.12537	1.9
359.14999	16.4
360.15305	2.2
371.14987	11.3
372.15372	1.6
429.64771	0.3
611.14856	3.3
612.15784	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	611.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78851	0.4
56.15478	0.4
57.03317	1.8
59.01251	7.0
61.98704	3.5
65.00204	0.6
69.38641	3.1
71.01249	3.8
72.99171	0.7
73.02829	0.6
83.01249	0.9
85.02830	1.2
87.00763	1.0
88.98667	0.9
89.02309	2.0
91.01793	0.8
93.03342	1.3
95.01311	0.4
101.02325	1.9
107.04900	0.5
111.69072	0.5
113.02344	1.1
118.56500	0.4
119.01261	3.2
119.03357	0.6
119.04934	0.5
120.99556	0.4
121.02849	2.6
123.04369	1.0
125.02314	1.0
134.03642	0.9
135.04430	1.7
137.02356	0.7
145.02893	0.5
147.00777	3.4
147.04399	0.8
149.01222	0.7
149.02356	11.1
150.03105	0.9
151.00351	0.6
151.03903	1.6
152.01048	1.0
161.02327	1.0
162.03111	1.0
163.03941	3.2
164.04710	11.3
165.01833	1.3
165.05247	1.4
166.02545	0.6
167.03409	0.8
175.00291	20.9
175.03836	0.7
176.00755	0.7
177.01913	0.6
177.05452	0.5
179.03384	0.4
179.07054	1.5
181.04955	0.6
189.01930	0.5
190.02647	55.2
191.03200	4.1
192.04202	0.8
193.01459	0.4
205.05011	51.3
206.05583	4.8
207.02937	0.9
207.06535	1.0
208.03720	1.4
209.04474	1.3
221.08112	3.0
222.05276	0.8
223.06075	18.6
224.06378	1.0
237.07524	0.8
247.06017	0.5
250.04796	1.3
251.05605	0.8
265.00555	0.4
265.07175	10.7
266.07596	0.8
271.02466	0.5
273.03006	0.4
273.07892	0.6
295.08157	2.0
299.09311	0.7
299.13187	0.5
300.02960	0.5
301.03116	0.4
302.03622	0.5
308.36221	0.5
311.07608	1.5
325.03210	0.4
325.09308	2.2
432.14200	0.9
474.44119	0.5
596.23547	0.7
611.27069	100.0
612.27380	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	611.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	3.0
58.00467	0.7
59.01252	8.6
61.98703	5.9
64.01036	0.4
64.23569	0.4
65.00198	0.8
71.01257	4.2
71.54353	0.5
72.99187	0.9
73.02843	0.6
79.80527	0.4
83.01269	1.7
85.02816	1.3
87.00739	0.6
88.98679	0.9
89.02325	2.8
91.01788	1.0
93.03351	1.6
96.95860	0.6
97.93057	0.4
101.02332	2.0
107.01292	1.0
107.04935	0.5
109.02863	0.6
113.02319	1.1
117.03370	0.6
119.01283	4.5
119.04945	1.0
120.99544	2.2
121.02841	4.0
122.99133	1.4
123.04411	2.0
124.01546	0.5
125.02333	6.4
133.02838	0.7
134.03638	1.7
135.04416	2.8
137.02336	1.2
145.02834	2.5
145.69608	0.5
147.00803	4.1
147.04456	1.0
149.02348	16.2
150.03067	1.6
151.00285	2.5
151.03912	1.6
152.01027	1.3
153.01863	2.8
153.35139	0.4
159.04410	0.4
161.02348	2.0
162.03081	1.1
162.51099	0.5
163.00266	0.6
163.03891	3.5
164.04701	14.4
165.01828	1.7
165.05376	2.0
175.00288	29.5
175.03940	1.3
176.00858	1.8
177.01830	2.7
177.05539	0.7
178.06265	0.6
178.99754	1.5
179.03607	0.5
179.07059	2.8
189.01802	0.9
189.05563	0.5
190.02647	72.1
191.03238	5.4
191.05009	0.7
192.04169	0.8
193.01317	0.8
193.05122	0.5
194.02129	0.7
195.02881	0.5
203.03505	0.5
205.05005	61.7
206.05623	5.4
207.02966	1.8
207.06430	1.0
208.03674	1.5
209.04515	2.6
221.08153	4.7
223.06085	18.9
224.06355	1.0
225.07758	0.5
227.03468	1.6
229.04945	0.8
230.25145	0.5
237.07689	1.3
241.05208	0.8
243.06660	1.0
250.04756	1.3
251.05588	1.1
255.02948	3.6
256.03491	1.0
257.04596	1.2
265.07153	12.9
266.07462	0.6
271.02472	0.9
275.05634	1.1
284.03287	3.4
285.04022	9.9
286.04349	0.7
289.07050	0.6
295.08279	1.7
299.05548	0.5
301.03268	0.5
302.03430	1.0
303.05121	3.4
311.07733	0.5
325.09256	1.9
385.91159	0.5
407.99316	0.5
489.10107	1.3
581.22498	0.6
593.13525	2.7
594.13080	0.5
596.25098	1.0
611.27057	100.0
612.27423	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	613.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.8
61.98702	22.8
65.00212	0.7
69.78817	3.7
71.01253	1.9
85.02827	0.7
91.01801	0.7
93.03319	1.2
108.02065	1.3
109.02839	47.1
110.03184	1.6
111.00771	0.9
117.03329	1.1
118.90409	0.6
119.04918	1.6
121.02842	1.3
123.00819	0.6
123.04427	13.4
125.02343	2.1
133.02878	5.5
135.04382	0.9
137.02338	1.9
145.02823	1.3
147.04402	3.8
149.02373	2.0
150.03125	1.8
151.03926	8.8
153.01863	1.2
159.04405	1.8
161.02364	11.6
162.03043	1.2
163.03860	1.2
164.01219	0.6
165.01810	1.0
165.05464	0.9
175.03964	1.6
176.01021	1.5
177.01860	27.1
178.02155	1.4
179.03412	0.8
183.06705	0.6
187.03931	2.3
189.01859	53.5
190.02582	14.1
191.03435	11.2
191.05328	1.2
201.01840	0.7
203.03525	5.6
204.03745	0.7
205.04991	1.4
216.00581	9.3
217.01379	44.3
218.01912	5.3
219.02943	18.0
220.03337	1.4
222.01729	0.7
231.02957	13.0
232.03511	1.9
233.04561	1.1
271.08133	0.7
278.75668	0.7
281.04608	2.2
289.07144	5.1
297.07623	1.5
299.05563	0.8
323.05737	2.2
327.04929	0.9
341.06650	100.0
342.07019	10.1
451.10324	86.9
452.10684	12.1
503.11771	3.6
613.15466	9.3
614.15656	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	613.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.2
61.98693	2.0
67.93990	0.9
70.40849	3.2
71.01256	2.0
87.00745	0.9
96.95896	1.5
109.02834	18.6
121.02823	1.2
123.04404	9.6
125.02303	2.3
133.02863	6.6
137.02332	4.0
144.21880	1.0
145.02831	1.3
147.04417	1.5
147.27806	0.8
147.47849	0.9
149.02367	2.1
151.03912	8.0
159.04395	1.1
161.02345	13.6
162.03110	3.9
163.03902	5.1
165.01849	1.7
167.03429	1.3
175.03882	1.4
177.01857	31.4
178.02153	1.5
179.03482	1.2
187.03882	3.7
188.04605	2.6
189.01859	30.2
189.05528	1.7
190.02647	13.3
191.03342	3.9
199.71761	1.0
203.03448	1.0
203.07149	1.4
213.05376	1.2
216.00629	7.2
217.01344	15.1
218.01964	3.0
219.02901	8.8
222.01656	1.6
227.07086	2.5
229.08630	2.5
231.02928	5.0
232.03670	1.2
257.04459	1.2
281.04559	12.7
282.05127	1.5
287.05545	1.0
289.07108	5.4
292.57129	1.0
297.07669	8.1
299.05627	19.2
300.05908	1.4
323.05399	1.3
328.05292	1.1
328.33383	1.1
335.92108	1.0
341.06644	100.0
342.07034	9.5
451.10336	65.6
452.10620	9.5
613.15594	30.5
614.16003	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	613.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61794	0.8
57.03328	0.7
59.01249	4.2
61.98703	27.0
71.01258	2.0
71.54897	1.1
72.99164	0.8
85.02790	0.7
86.02999	0.7
87.00755	0.7
88.98666	1.3
89.02300	1.0
93.03323	0.8
95.04887	1.1
96.95853	1.2
101.02324	1.2
108.02032	1.5
109.02835	66.7
110.03165	2.2
113.02349	0.7
119.04904	1.4
120.99538	16.7
121.02841	1.3
123.04411	11.4
125.02308	3.0
133.02867	4.8
134.03641	0.8
135.04399	2.2
137.02344	2.3
139.03888	1.0
145.02831	3.2
147.04468	3.7
149.02330	0.9
150.03104	2.3
151.03946	5.3
159.04372	1.6
161.02367	13.3
163.03943	1.5
165.01860	1.8
165.05463	1.2
167.03490	1.7
175.03873	1.3
176.01050	1.2
177.01862	23.1
177.05498	0.8
178.02254	0.9
179.03468	1.6
179.07065	1.1
187.03960	1.3
189.01860	50.8
190.02600	13.1
191.03421	9.9
191.05251	1.5
193.04875	0.8
194.05905	0.9
195.06592	1.4
203.03397	6.6
205.05103	1.0
208.06010	0.8
209.08118	1.4
216.00597	8.4
217.01364	40.4
218.01970	5.5
218.98103	0.7
219.02945	14.0
220.03310	0.9
231.00909	1.2
231.02974	12.0
232.03394	2.0
233.04544	1.1
245.08150	0.9
271.08203	1.3
281.04474	2.0
285.04318	1.0
286.04373	0.9
289.07162	3.6
299.05658	0.8
323.05606	3.1
341.06641	100.0
342.06992	11.8
347.67172	0.7
391.17401	0.9
451.10321	86.6
452.10617	12.6
491.15280	0.9
503.12054	6.0
551.25128	5.9
613.15179	10.7
613.23486	0.9
614.15912	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	613.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	8.9
59.01257	13.4
61.98704	34.7
63.02258	1.8
65.00196	6.2
71.01250	4.6
73.02830	2.1
73.75412	1.3
73.75816	1.2
83.01262	8.9
85.02837	2.7
89.02319	2.5
93.03343	2.1
95.01252	1.5
95.04908	1.1
96.95834	1.5
101.02332	2.9
101.45536	1.0
107.01276	10.7
109.02873	6.2
111.00748	6.1
113.02371	1.7
121.02824	3.7
122.03661	1.2
123.00828	1.3
123.04412	7.4
124.01576	2.8
125.02345	100.0
126.02662	3.9
135.04485	1.2
137.02333	7.3
139.03908	3.1
145.02831	1.8
148.01442	1.4
149.02350	15.3
150.03064	3.4
150.99127	2.2
151.00287	37.7
151.03888	4.6
152.00917	2.3
153.01848	23.7
161.02361	1.9
165.01888	3.1
167.03381	1.8
169.01363	2.1
174.03143	2.5
175.00285	6.7
175.03928	13.0
177.01857	20.2
178.99794	15.9
179.03438	1.9
181.01353	9.2
189.05473	4.3
191.03400	3.0
192.88014	1.2
195.02834	2.0
199.03989	7.2
201.01874	2.7
205.01628	1.6
213.05623	1.7
216.04358	2.1
217.05014	7.9
231.06660	1.4
241.04973	5.0
242.04733	1.3
259.06052	5.4
270.01642	1.6
275.05646	20.4
285.04037	63.7
286.04340	4.3
299.02414	2.0
299.05576	10.1
300.05820	1.4
303.05103	68.8
304.05493	6.0
327.05020	2.3
341.07108	1.6
357.26620	1.7
359.27805	2.7
373.70602	1.2
395.51736	1.3
433.33136	3.2
461.14484	2.5
463.15851	4.7
489.13974	4.4
491.15921	2.7
585.19586	2.3
595.17682	3.3
613.18805	3.1
613.30591	1.3
613.39868	21.8
614.20239	1.5
643.30188	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	613.2296
Annotation	Chlorophyllide a
Peak:m/z	Relative Intensity
57.03307	1.2
59.01249	15.5
61.98704	53.6
63.02253	1.1
65.00190	1.8
68.99364	1.4
68.99690	16.1
69.03313	0.9
69.26463	3.5
69.26894	5.3
71.01232	4.4
73.02809	1.7
75.00751	1.2
75.91492	1.0
83.01241	1.4
85.02814	2.4
88.98668	2.8
89.02280	2.6
93.03306	2.3
93.95687	1.1
95.01269	5.2
95.04916	1.2
96.95882	2.5
97.02797	1.1
101.02294	3.9
107.01257	2.1
107.04909	1.0
108.02049	2.0
109.02850	5.6
111.00738	1.6
113.02333	2.2
121.02834	9.2
123.00768	13.5
123.04366	3.0
124.01512	2.1
125.02335	11.9
132.02003	1.5
133.02719	1.3
137.02309	7.5
138.03125	22.0
139.00198	1.2
139.03836	4.5
147.00793	2.2
149.02313	4.6
150.03093	2.2
151.00272	9.7
151.03862	4.2
153.01875	10.4
153.04262	1.8
153.05472	31.6
154.05713	1.9
160.01559	2.9
161.02370	2.5
161.04504	2.1
162.03053	3.6
163.00223	3.0
163.03938	2.0
164.04538	1.2
165.01865	18.0
165.05450	2.1
167.03394	1.6
168.04190	48.2
172.74625	1.0
175.00287	9.5
175.03899	2.4
175.99759	1.5
176.01089	21.4
177.01854	13.9
177.05461	2.4
178.02631	9.3
178.99742	5.0
179.03314	2.1
179.07002	1.4
180.04152	3.7
181.04933	2.4
183.10146	2.7
190.02592	2.9
191.03465	17.5
191.05185	2.0
192.04202	30.4
193.01369	27.1
193.04948	13.9
194.01924	1.8
194.05417	1.1
195.06502	3.7
197.04355	2.3
205.05000	1.7
207.04703	1.7
207.06578	34.0
208.03720	36.6
208.06720	2.6
209.04364	5.7
223.06075	100.0
224.06392	5.9
225.07628	1.4
238.04739	2.3
242.09373	1.4
269.04407	1.3
270.08865	3.3
284.06793	1.7
285.03995	1.3
285.08014	1.3
285.11292	3.9
298.08569	1.6
299.01877	1.1
299.09082	3.0
301.03528	22.3
302.03909	2.2
311.08856	1.3
313.10684	1.9
314.07816	4.2
326.07648	1.4
329.10297	8.6
341.06760	1.4
341.10342	10.9
342.10815	1.2
343.45020	1.0
344.12567	13.9
356.12473	3.9
357.12976	1.1
359.14996	19.4
360.15384	2.7
371.15009	12.3
372.15326	1.5
453.28177	1.1
613.22736	43.9
613.31110	2.8
614.22821	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	613.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36931	0.4
57.03320	0.6
57.67336	0.4
59.01252	5.0
61.98703	1.3
65.00185	0.7
67.01752	0.6
68.99695	0.5
69.03333	0.4
71.01250	1.6
71.54497	0.6
73.02820	1.0
77.19708	0.4
85.02830	1.1
85.45994	0.4
87.00739	0.5
89.02316	0.9
91.01772	4.2
93.03325	1.0
95.01261	4.7
101.02312	1.4
107.01266	1.2
108.02075	0.7
109.02829	0.8
111.00766	0.5
113.02280	0.6
119.01286	4.0
119.04912	4.1
121.02837	1.5
122.03611	1.0
123.00758	1.8
123.04426	1.1
125.02352	1.7
133.02847	2.0
134.63458	0.4
135.00784	15.9
135.04478	0.7
136.01553	0.9
137.02321	4.0
138.03152	0.9
145.02893	0.4
147.00786	42.7
148.01584	12.8
149.02347	2.2
151.00273	7.2
151.03923	2.1
151.07555	0.4
152.00621	0.6
152.99413	0.5
161.02347	3.6
161.04469	0.5
162.03149	2.0
163.00273	6.1
163.03928	10.9
164.00987	0.9
164.04732	5.7
166.02643	0.4
167.10713	0.5
171.10188	17.4
172.10504	0.7
175.03935	0.9
177.05560	0.9
178.02631	4.4
179.07069	2.7
179.14375	0.6
186.02487	0.4
192.00552	4.1
193.01323	1.8
195.13882	1.1
197.11725	0.9
205.12320	1.5
206.02112	2.4
207.02931	10.3
209.11742	2.5
211.13258	0.5
219.02953	1.0
221.04485	1.5
223.13356	17.9
224.13702	1.2
240.74237	0.4
242.05385	0.5
253.09253	1.5
268.21042	0.5
283.06241	0.6
285.12442	1.4
298.08560	0.8
301.10849	0.5
329.23260	1.0
357.13165	0.7
386.10052	5.1
387.10388	0.9
401.12405	100.0
402.12781	13.4
441.20972	0.4
451.34033	0.5
459.22342	1.4
499.83368	0.5
537.25275	0.9
568.04529	0.5
613.39465	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	615.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24749	0.8
57.03326	12.8
59.00948	1.3
59.01252	22.4
61.98705	20.6
63.02248	1.5
65.00194	3.8
67.01761	1.0
69.03341	1.1
69.41166	1.6
69.41571	4.4
71.01242	3.7
72.99177	0.9
73.02814	1.2
81.03320	4.1
83.01260	10.5
85.02832	1.8
87.00712	1.5
89.02307	2.3
93.03328	2.9
95.01231	1.4
95.04964	1.1
96.95889	2.1
97.02836	2.0
99.04400	2.4
101.02323	3.2
107.01280	7.5
107.04928	2.2
107.05655	0.8
108.02052	1.5
109.02855	4.6
111.00762	2.0
117.03338	2.4
121.02833	3.8
122.03616	4.7
123.00768	1.2
123.04401	6.8
124.01556	2.7
125.02342	92.8
126.02644	2.9
131.04955	0.9
133.02869	3.3
133.86197	0.9
135.04442	2.1
137.02386	4.1
139.03906	2.3
145.02852	2.2
145.06456	1.5
147.04395	1.2
149.02370	11.5
149.32800	1.0
150.03134	20.5
151.00288	25.5
151.01498	1.4
151.03865	3.7
152.01036	5.2
153.01839	11.2
153.05458	3.4
155.04784	1.0
157.06535	1.4
159.04436	2.1
161.02399	2.1
161.04466	1.3
161.09605	1.6
163.00316	2.1
163.03857	1.8
164.01085	1.1
164.04706	1.5
165.01907	6.6
165.05486	26.2
167.03412	2.0
169.01358	1.5
169.06445	1.7
172.05215	2.1
173.06010	6.5
175.03972	4.1
176.01030	3.0
177.01797	1.6
177.05455	3.5
178.99791	11.1
179.03409	4.0
180.04117	3.1
180.05624	1.4
181.04961	1.5
181.06490	1.2
183.10161	2.5
187.11205	0.8
190.02664	0.9
190.06299	1.7
193.01410	1.1
193.05075	1.1
194.05757	1.1
195.06566	18.6
196.06819	1.0
197.05989	3.3
199.07578	2.0
201.05484	4.2
205.08560	1.4
207.06560	0.9
209.11790	1.4
213.05476	1.4
215.07065	7.0
223.06119	1.4
223.08125	1.1
225.05502	3.0
225.07558	1.0
227.03488	1.7
241.04962	3.2
243.06613	5.6
259.06104	80.8
260.06412	6.9
269.04553	76.1
270.04880	5.7
271.02588	1.2
283.06033	1.8
287.05643	55.5
287.08960	2.3
288.05899	3.8
289.07208	1.1
301.06949	1.1
311.05801	2.1
389.16235	7.7
390.16388	1.0
507.14944	1.1
522.21997	0.9
537.21118	1.0
585.23657	2.0
597.20087	2.3
615.20850	100.0
615.30267	9.0
616.21161	19.3
616.30389	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	615.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.7
59.01254	2.4
60.40806	0.5
61.98700	4.5
64.99861	0.4
65.00194	0.6
66.00974	0.5
67.01788	1.0
70.40674	0.7
70.41033	1.6
70.99109	0.6
71.01273	1.1
72.99181	0.4
73.22352	0.4
83.01302	0.6
89.02323	0.5
93.03365	0.7
95.01284	0.7
101.02347	0.6
107.70884	0.5
109.02835	2.1
121.02885	1.3
122.03669	1.1
122.61164	0.4
123.04388	2.2
124.01603	0.7
125.02299	2.4
132.02113	0.5
133.02847	0.8
134.03653	1.7
135.00821	0.5
135.04393	0.5
136.01556	2.9
137.02345	18.4
138.02763	0.6
139.03883	0.5
149.02359	2.1
149.05980	0.8
150.03128	5.9
151.00275	0.7
151.03905	3.4
153.01872	0.9
153.05505	1.4
160.01479	0.7
161.02357	0.9
161.06082	0.5
162.03227	0.6
163.03934	0.8
164.01059	3.4
164.04637	0.6
165.01848	100.0
165.05478	5.0
166.02174	3.7
166.05988	0.6
167.03423	0.8
175.03976	0.7
177.01781	0.7
177.05556	1.0
178.02675	1.4
179.03426	28.7
180.04204	62.0
181.04538	3.2
191.85042	0.4
193.04962	3.3
194.05783	5.9
195.02977	2.4
195.06561	81.4
196.06877	3.8
205.05098	0.6
209.08167	0.9
210.05292	13.0
225.07640	63.8
226.08008	4.6
259.06107	2.8
261.24258	0.4
269.04581	1.6
270.08914	1.3
283.09781	1.7
284.06766	0.7
285.11365	1.8
287.05655	2.1
287.09174	0.8
295.09598	0.5
297.11157	0.6
298.08420	0.7
299.09238	1.9
299.12573	0.7
310.08646	0.6
311.09250	0.6
314.08047	1.9
326.08057	0.9
326.11597	0.7
327.12344	2.2
328.13171	5.2
329.10416	5.2
329.13907	0.6
330.10910	1.1
341.10272	6.1
341.13925	1.1
342.10687	0.7
343.11752	0.6
343.15497	1.0
344.12610	7.1
345.13239	1.6
356.12619	1.9
357.13095	0.5
359.10550	0.9
359.14996	16.1
360.15250	1.8
371.15012	12.1
372.15430	1.3
389.16095	2.9
465.06274	0.5
491.16599	0.8
493.19305	0.6
507.16833	0.7
537.21881	6.0
552.20135	0.9
567.22345	43.8
568.22656	7.6
615.23346	3.5
616.23077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83597	2.0
59.01242	3.9
59.91151	1.6
61.98701	10.3
62.14483	1.7
69.36269	10.4
70.59290	1.4
71.01230	2.2
85.02764	1.4
89.02317	1.4
93.03325	5.9
96.95906	1.6
108.02034	2.6
109.02845	2.9
121.02827	8.1
122.03639	12.6
123.04396	6.5
124.01578	1.6
125.02335	4.6
133.02834	2.7
134.03603	1.7
135.04422	3.3
137.02319	5.2
149.02339	25.6
150.03143	100.0
151.00262	2.1
151.03781	6.5
153.01729	2.2
161.02354	6.0
163.03877	4.2
164.04688	5.4
164.90373	1.9
165.01801	7.8
165.05492	82.8
166.05855	3.2
177.01848	2.5
179.03432	2.5
180.04205	8.6
190.10881	1.5
195.06570	52.5
196.06905	3.0
207.06587	2.5
207.47374	1.4
240.04193	1.6
241.04945	2.7
242.05717	1.7
253.05177	2.5
254.05850	3.7
255.02979	2.8
267.06625	1.9
269.04507	3.3
269.08118	3.3
270.05411	3.2
271.06006	1.8
282.05301	3.1
283.05997	2.0
285.07645	1.6
289.06985	2.4
294.05383	2.7
295.06122	2.6
297.07541	2.5
298.04929	3.8
298.08728	1.7
299.09079	2.0
308.06888	2.7
309.07431	3.5
310.04950	3.0
310.08267	3.2
311.09213	1.8
313.07138	10.1
325.07233	14.7
327.08798	3.4
328.09503	18.4
329.10031	2.4
340.09448	8.8
341.10318	2.1
343.11896	20.9
344.12393	1.9
355.07956	2.4
355.11862	18.0
356.12271	3.2
373.12988	3.2
391.14026	29.0
392.14145	4.1
403.13947	36.3
404.14395	4.5
476.14755	13.2
477.14520	1.7
491.17130	46.6
492.17575	8.7
528.75635	1.4
539.19092	11.5
540.19299	2.2
551.19659	2.2
569.20416	10.9
583.72339	1.6
617.22931	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	617.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15555	2.1
59.01255	100.0
61.43353	2.1
61.98700	9.5
71.54079	2.2
78.95786	3.5
83.04929	3.0
87.32613	2.1
96.95888	3.5
101.02357	2.0
116.30473	2.3
116.92756	3.0
148.01648	2.9
171.10245	4.6
174.03134	5.2
189.05542	2.8
201.05650	4.0
209.11794	5.2
211.03996	6.2
213.01865	38.4
226.06329	8.5
228.04216	33.8
229.04950	6.3
243.06616	24.5
243.10426	3.7
254.05855	7.5
257.87610	2.5
272.06906	6.3
287.09265	56.6
288.09604	4.4
496.71622	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	617.318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64624	0.3
52.00816	0.3
55.01762	0.4
55.23640	0.3
57.03326	0.4
59.01250	5.8
61.98703	7.7
63.56267	0.3
71.01255	4.7
71.04893	0.5
71.25012	0.6
72.99213	0.4
73.02841	0.9
80.02554	1.0
81.03342	1.3
83.01277	0.7
83.04901	4.2
84.02034	0.8
85.02831	1.2
87.00758	1.0
89.02333	3.1
93.03275	0.4
95.01254	0.4
95.04871	0.5
96.95887	0.4
99.00774	0.4
101.02327	3.6
109.02850	0.5
109.06516	0.4
113.02321	2.3
115.03932	0.5
119.03402	0.9
123.04444	0.7
123.30827	0.3
124.01519	0.4
125.02345	1.5
125.05992	0.4
125.09616	1.3
127.11163	1.6
135.08049	0.4
137.02321	1.0
143.03387	0.4
145.02817	0.5
150.03154	0.3
151.03947	0.6
153.05420	0.3
153.09099	0.7
161.02380	0.4
161.04504	1.4
163.03961	0.7
163.11211	2.9
164.01109	0.3
165.01848	0.5
165.12741	2.2
171.10182	100.0
172.10515	4.7
175.04024	0.4
179.05516	0.8
181.12306	0.7
187.03975	0.6
191.10730	0.8
197.72998	0.3
205.04984	0.5
205.08807	0.3
209.11771	89.4
210.12114	5.5
227.12839	11.0
228.13158	0.8
235.08167	3.0
236.08284	0.3
253.05185	0.3
253.09261	8.7
254.09677	0.4
255.03070	0.5
256.03580	0.5
287.05823	0.3
301.02893	0.4
357.26392	1.3
407.19308	1.6
445.20770	0.8
455.20743	0.5
465.18958	0.3
477.37335	0.3
520.98853	0.3
599.22754	1.9
599.31049	0.4
600.23743	0.5
600.59229	0.3
617.22748	0.4
617.35095	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71114	0.2
55.01769	0.3
59.01253	100.0
60.01588	1.3
61.98708	4.0
71.01255	2.0
73.02826	0.6
75.00726	0.3
78.95795	0.3
80.02637	0.2
83.01256	0.3
85.02837	0.8
87.00762	0.3
87.94473	0.2
89.02338	0.8
94.13325	0.2
96.95913	0.2
99.00789	0.4
101.02318	1.5
101.05973	0.3
113.02344	0.7
116.92807	0.3
119.03462	0.2
123.04443	0.2
126.15369	0.2
137.02396	0.2
161.04466	0.9
163.17494	0.2
171.10168	1.8
172.10518	1.0
209.11819	1.5
210.12190	0.8
211.43930	0.2
355.25143	0.2
357.26529	0.8
371.24640	0.2
403.86096	0.2
439.89493	0.2
482.14661	0.2
517.17535	0.5
558.37488	0.2
619.32318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98684	1.5
63.50860	1.5
78.95771	9.0
97.68902	1.3
152.99477	4.1
177.08681	1.8
209.11629	1.5
255.23265	6.6
389.15445	2.6
401.13934	2.5
415.15723	4.5
416.16473	16.7
417.16876	3.7
429.17542	2.9
430.17993	4.5
431.18695	3.1
459.18250	100.0
460.18591	19.4
473.19852	12.3
474.20325	5.7
503.17264	3.5
518.19574	44.3
519.19653	7.8
532.21356	8.1
533.21930	85.1
534.22278	17.9
587.23077	6.4
619.25653	70.3
620.25952	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	619.256
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
72.42608	0.7
78.95779	1.7
85.19323	0.8
92.82713	0.8
95.56971	0.8
98.20580	1.8
109.30801	0.9
147.94090	0.8
154.00717	0.9
192.63237	0.8
205.84863	0.9
232.44110	1.0
295.58780	0.9
309.68399	0.9
389.15338	1.1
401.14108	2.0
415.15756	1.7
416.16415	11.2
417.16666	2.0
429.17258	1.1
430.18060	1.8
431.18741	1.4
454.83743	1.1
458.17249	1.0
459.18259	97.9
460.18561	17.6
473.19781	14.6
474.20557	6.0
475.20679	1.6
484.19257	1.1
485.15671	1.5
503.17297	2.4
511.16937	1.0
513.19287	0.9
517.18646	1.2
518.11774	2.0
518.19598	47.3
519.19910	7.2
532.20892	10.6
533.21936	100.0
534.22253	19.0
534.30475	1.1
587.22913	6.2
588.23322	2.1
619.25592	81.6
620.25763	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	619.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42441	1.9
58.37917	1.9
59.01252	100.0
60.02269	2.0
61.15301	1.9
61.98710	6.4
69.38764	14.9
69.94956	1.7
71.01257	4.4
89.02320	2.3
96.95878	4.3
101.02297	3.0
137.05952	2.9
149.06065	2.7
152.52400	2.1
162.03140	3.3
177.05524	7.0
202.09874	3.3
229.67169	2.4
244.90013	2.1
245.11855	2.3
263.12790	4.5
274.08374	2.3
289.10803	20.0
290.11255	3.1
321.16800	3.6
347.15057	19.4
348.15393	2.8
401.61288	2.1
534.83154	2.5
615.02997	2.1
619.30817	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	621.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.9
58.23016	0.9
59.01250	9.5
61.98710	6.1
67.12472	0.8
69.54523	5.3
71.01248	9.1
72.99166	2.6
73.02795	2.1
75.77172	1.0
81.23794	0.8
83.75016	1.0
85.02812	5.3
87.00769	3.1
89.02322	3.0
95.01280	1.9
96.95850	1.9
97.02837	1.5
101.02328	4.7
109.02830	4.1
111.00814	2.4
113.02308	3.5
119.03359	1.7
119.04936	1.7
121.02842	1.9
123.00758	1.5
123.04400	3.2
123.10275	1.3
123.63103	0.9
125.02344	5.2
133.02869	1.5
134.03593	1.3
135.04393	3.8
137.02347	13.8
139.03931	1.2
145.02806	1.8
149.02322	2.8
150.03030	1.2
151.00267	15.7
151.03908	3.3
152.01010	1.5
152.04659	1.6
153.01837	1.4
160.01595	1.1
161.02313	3.7
161.04463	1.7
163.03857	1.1
164.01057	1.2
164.04665	1.4
165.01820	7.7
166.02628	53.7
167.03261	3.4
175.00186	1.3
175.03926	2.2
177.01820	3.6
179.03419	2.3
181.04988	72.4
182.05339	3.3
184.03644	1.2
187.03931	0.9
190.02667	3.0
190.06294	2.2
191.03430	1.8
192.04051	1.3
193.04851	1.5
205.05002	4.1
207.06448	1.2
223.06236	1.0
243.02924	0.9
255.02888	1.3
285.04007	1.1
289.07120	2.2
387.10828	15.5
388.11279	1.2
399.23911	1.7
402.13138	6.6
415.12387	1.8
417.15509	100.0
418.15833	12.8
459.20117	1.7
503.12045	1.2
561.29095	13.1
562.29419	2.6
591.20581	1.5
621.25726	11.1
622.25751	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	621.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99883	2.4
59.01262	3.2
68.21240	2.5
70.28967	2.5
71.53981	2.9
72.86018	2.4
105.77292	3.2
115.55687	2.5
152.92339	2.4
197.58788	2.8
272.93185	2.5
404.87393	3.1
427.16071	3.2
428.46036	3.0
433.20163	3.8
442.17703	3.8
443.18637	5.1
444.19382	8.2
445.20233	10.1
446.20819	7.8
448.22409	2.8
457.20435	5.2
458.20999	9.8
459.21841	11.1
460.22379	5.7
461.23422	9.5
471.18085	8.4
473.16089	3.7
473.23651	7.1
474.20920	20.9
480.23294	3.2
485.19876	13.6
486.20557	39.1
487.20770	5.7
488.18701	7.6
489.18549	8.1
489.22910	22.0
501.23004	100.0
502.23425	19.6
516.17932	9.8
518.23206	15.3
519.23761	5.2
527.20544	5.1
533.25958	27.9
534.25659	6.2
544.21082	6.0
545.21954	67.3
545.29645	5.0
546.22040	13.7
548.20764	15.8
549.19946	4.1
551.31592	2.9
559.23468	12.5
562.22113	14.5
577.24561	26.9
578.24567	4.9
621.23737	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1616
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
60.77716	0.4
63.02263	0.5
65.00190	0.6
65.63768	0.4
66.73891	0.5
69.41734	3.6
77.45686	0.4
93.66271	0.4
107.01281	1.2
109.71526	0.5
124.12045	0.5
129.01547	0.4
129.65050	0.5
145.02866	0.6
146.71115	0.5
151.00261	4.1
155.04994	0.8
159.04391	0.5
163.00249	0.9
178.99805	0.6
183.04445	1.4
199.03981	4.6
200.04219	0.6
201.01819	1.1
203.03424	0.6
205.98766	0.5
211.03973	0.9
215.03452	2.5
218.62172	0.5
226.02740	0.7
227.03491	4.9
242.02130	2.8
243.02965	22.9
244.03441	2.6
254.02206	1.4
255.02977	16.5
256.03534	1.5
257.04590	3.2
259.06244	0.9
270.01767	2.9
271.02481	41.1
272.03094	5.1
285.04041	6.1
286.04788	1.8
287.05444	2.6
299.01971	37.5
300.02725	41.0
301.03223	2.3
313.03760	0.7
314.04327	29.9
315.05099	100.0
316.05420	10.0
544.48987	0.5
595.28601	0.5
619.05786	0.5
623.16174	69.1
624.16522	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	623.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.5
57.03308	5.4
57.70827	1.4
59.01254	27.3
61.98705	53.7
65.77840	1.4
67.66915	1.5
71.01251	24.4
71.54612	1.7
72.99184	3.3
73.02819	8.4
75.00751	3.4
81.03352	1.8
83.01266	4.7
85.02806	9.3
87.00726	4.3
88.98692	8.4
89.02319	15.1
93.03344	5.4
97.02785	2.0
99.00758	3.6
101.02330	18.0
101.05965	85.8
102.86141	1.3
105.76343	1.3
107.04908	2.0
108.02058	2.5
109.02887	1.5
109.06506	1.8
113.02318	8.7
116.47564	1.5
117.03341	1.7
119.03374	5.9
121.02836	6.8
121.04967	3.4
122.03637	13.2
123.04400	6.5
124.01661	1.9
125.02360	13.7
129.43149	1.5
131.03415	1.8
133.02847	5.9
134.03633	3.3
135.04353	2.5
136.01576	3.4
137.02353	6.2
138.01865	2.7
143.03401	2.1
145.02826	4.1
147.04385	2.0
149.01222	2.2
149.02354	25.8
149.05956	2.0
150.03143	86.4
151.03926	7.0
153.05432	5.0
154.02629	1.7
160.01369	1.8
161.02304	4.5
161.04482	10.1
161.09663	2.5
161.13261	2.3
161.95549	1.5
163.03880	4.1
163.07629	1.5
164.04689	6.7
165.01825	3.9
165.05490	81.9
166.05922	5.2
167.03448	2.7
174.88873	2.0
175.03944	3.1
177.01819	2.5
177.05426	1.5
178.02678	1.6
179.05608	3.1
179.07068	2.9
180.04190	6.5
181.08630	2.2
185.11783	3.7
187.11124	3.0
189.09221	1.9
190.02625	3.5
191.03445	2.2
193.04935	4.4
195.06584	43.9
196.03616	2.6
196.06955	3.0
205.05006	3.6
205.12276	1.8
211.05959	1.9
219.02884	2.3
227.03429	1.5
234.05495	1.4
240.04279	4.9
265.12991	7.3
267.10727	1.6
267.15958	1.6
269.34558	1.5
270.08887	1.8
271.02466	2.3
279.08615	2.5
283.10361	47.1
284.10721	2.4
285.04105	6.7
289.07120	4.7
298.08612	3.2
299.01895	2.6
300.02911	1.7
300.15488	1.6
313.10767	8.6
314.11456	3.4
315.04990	4.5
325.13007	8.9
327.21899	2.6
327.25272	13.7
328.25598	2.0
329.13892	4.3
329.23434	2.0
339.25400	3.8
357.26459	100.0
358.26868	11.0
373.25986	4.2
375.27548	20.8
376.27689	4.2
387.14185	1.6
417.17969	1.6
427.19629	2.6
473.18155	48.8
474.18539	9.6
491.19040	5.4
521.20441	3.7
575.24890	24.7
576.25262	4.4
623.26752	6.9
623.35663	7.5
624.27844	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	623.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10646	1.3
57.03318	2.6
57.79812	1.2
59.01254	21.3
61.98679	1.5
63.85290	1.3
69.03331	2.9
70.28746	1.2
71.01254	22.9
71.04865	1.3
71.53555	1.5
73.02840	6.5
77.88497	1.4
83.01250	3.7
83.04875	2.3
85.02837	7.7
85.03286	1.2
87.00755	9.7
89.02327	11.4
95.01265	2.9
97.02837	1.6
97.06405	2.5
99.00748	1.5
99.19249	1.3
101.02327	15.4
102.02586	1.4
107.04903	1.4
109.06446	2.6
111.08061	3.3
113.02335	10.8
119.03367	3.1
125.02348	3.0
135.08015	2.9
145.04939	5.4
161.04454	4.5
203.14360	1.8
211.13268	1.4
213.14909	2.8
231.17415	1.8
235.08185	12.7
237.18309	1.3
239.16420	2.2
246.35828	1.4
247.16904	1.7
265.18109	2.6
275.16504	3.9
315.26974	4.5
325.25311	7.1
333.27875	1.9
341.24844	5.6
343.26385	7.2
344.26886	1.6
351.23154	4.2
359.25879	11.0
369.24402	16.0
370.24704	3.0
377.26990	2.2
387.25412	62.7
388.25748	9.0
405.26477	52.7
406.26849	5.8
479.29700	2.9
595.34857	2.1
623.34369	100.0
624.34601	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3433
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
50.16309	2.0
57.03315	2.7
57.92121	1.7
58.00478	2.6
59.01262	17.3
61.98679	2.0
69.03310	2.6
69.35623	12.9
71.01252	20.3
72.99192	3.0
73.02827	4.1
74.83443	1.8
83.01253	4.5
83.04893	3.2
85.02824	7.4
85.39849	1.8
87.00748	7.2
87.16732	1.9
89.02325	14.8
101.02327	16.4
109.06457	2.0
109.89221	1.9
113.02306	7.4
119.03370	2.5
121.14570	1.8
125.02309	3.9
135.08063	2.6
137.09618	2.8
138.95168	1.8
145.04956	6.8
145.72844	2.6
161.04477	4.8
170.98840	2.1
179.05551	4.3
191.93359	1.8
221.06679	2.1
235.08235	14.1
237.14856	3.2
239.16493	3.2
247.17140	2.2
275.16614	2.2
291.19571	2.1
309.20740	8.6
315.04944	2.5
315.26761	2.7
317.28098	2.6
325.25427	6.1
341.24850	4.1
343.26471	9.0
351.23251	2.3
359.25961	8.7
369.24310	15.9
370.24457	2.5
387.25406	58.9
388.25760	8.6
405.26465	41.6
406.26797	4.7
479.30136	3.5
579.51819	2.2
595.35229	2.2
605.32745	2.3
614.38477	2.5
623.34387	100.0
624.34802	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	625.141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48278	1.2
55.86856	1.2
59.01242	3.5
63.02269	4.4
63.63913	1.1
64.14309	1.2
65.00199	10.3
67.01765	1.3
69.03331	1.1
71.01234	2.6
72.99193	2.3
75.30260	1.1
83.01252	5.3
85.02807	1.6
87.00754	1.6
89.02329	1.8
93.03325	7.1
95.01255	5.5
95.88966	1.2
98.20507	2.5
99.00784	2.5
101.99418	1.2
102.52984	1.1
107.01274	9.5
107.76463	1.2
108.02057	2.7
109.02876	1.5
109.99973	1.6
111.00784	12.8
117.03368	6.6
118.24969	1.3
119.04930	1.5
121.02837	3.7
123.00795	6.3
123.04459	1.4
124.01589	2.2
125.02325	5.4
129.03297	1.3
132.02057	2.5
133.02867	3.8
135.00728	2.8
136.98666	2.9
137.02319	4.4
137.99538	1.2
139.00281	20.4
141.01837	2.5
143.04936	4.6
145.02824	7.9
147.04366	2.0
149.02429	1.6
149.99452	3.1
151.00275	34.3
151.03844	1.1
152.00983	4.2
153.01857	4.0
154.99754	1.2
155.04955	2.5
157.02829	1.3
159.04427	6.8
161.02351	2.7
161.05965	3.5
162.03307	1.2
163.00301	3.9
164.01050	2.7
164.98180	2.4
165.01886	2.4
165.98965	4.1
166.99786	3.4
168.00578	2.5
169.01308	3.9
171.04448	8.4
173.02367	1.4
174.03168	8.6
175.03865	3.2
177.98997	6.1
178.99785	29.2
180.00256	1.3
181.98563	1.4
182.03723	1.6
183.04451	4.0
187.03983	9.0
188.04590	2.9
189.01836	2.0
189.05531	5.3
190.99796	1.9
191.03447	1.8
192.00468	1.9
193.01263	3.0
194.99249	2.0
198.03111	2.7
199.03928	10.1
200.04420	1.2
201.01872	1.4
201.05528	2.0
203.03412	4.0
206.99333	3.5
207.80812	1.3
207.99960	2.4
209.00818	3.4
211.03899	1.8
213.01811	1.7
214.02667	2.7
215.03450	8.8
216.04149	5.5
217.05008	23.7
218.05273	2.3
220.22746	1.2
227.03482	9.0
229.01341	2.6
229.04863	2.5
231.02988	6.8
232.03661	1.5
242.02116	4.2
243.02946	15.8
244.03563	2.9
245.04591	3.9
255.02974	24.3
256.03406	1.5
259.02460	10.8
269.04077	1.4
270.01721	7.6
271.02484	61.6
272.03101	11.6
273.03992	10.8
283.02481	4.8
284.03293	8.4
285.04004	8.4
287.01984	16.9
288.02548	4.0
289.03598	1.6
298.01190	3.1
299.01965	73.6
300.02463	13.6
301.03497	10.5
315.01309	2.1
316.02231	52.8
317.02951	26.0
341.03058	1.2
402.96536	1.5
454.36209	1.4
466.41272	1.5
505.11914	3.4
513.12323	5.1
517.12183	3.4
525.16199	5.5
581.14886	4.7
582.15198	2.2
597.14691	4.8
607.13098	8.0
625.14099	100.0
626.14343	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	625.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25292	0.5
50.84682	0.5
55.68870	0.4
65.00196	1.0
69.76279	1.4
69.76676	1.1
82.05756	0.5
88.37324	0.5
94.06549	0.5
107.01264	2.1
108.02042	0.9
121.02883	0.6
135.00760	0.9
141.32436	0.5
148.01581	1.4
151.00256	6.1
163.00313	1.0
164.00961	0.9
177.84824	0.6
178.99783	5.6
215.03477	0.6
216.04413	0.7
226.02740	1.0
227.03400	2.0
243.02951	8.0
244.03343	1.0
254.02209	1.9
255.02983	22.6
256.03387	1.4
271.02484	51.5
272.02939	5.7
273.03802	0.6
287.01962	1.6
299.01947	3.4
299.04947	0.6
300.02747	100.0
301.03305	18.2
302.03775	1.1
316.02237	7.3
317.02777	1.5
445.07419	1.4
463.08917	1.9
464.09381	0.5
625.14087	78.0
626.14417	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	625.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89740	0.8
59.01240	0.7
62.19386	0.8
65.00199	2.8
70.69533	1.5
70.69843	1.0
79.79813	0.9
83.01270	1.1
95.01257	1.6
107.01266	4.0
109.02832	3.9
109.99990	7.0
111.00781	4.1
119.56767	0.9
123.00775	4.4
124.01579	1.7
125.02367	0.9
133.02872	1.3
135.00763	1.2
136.01428	1.1
136.98695	1.9
137.02365	1.1
137.99463	2.9
139.00285	10.1
143.04877	1.2
146.03651	1.3
148.01555	1.3
149.02350	1.9
149.99577	0.9
151.00275	10.0
152.01105	5.3
153.01842	1.7
158.89980	0.8
159.04425	2.3
161.02324	2.0
163.00258	3.0
164.01053	1.5
165.01810	1.0
165.99013	9.9
166.99776	5.8
171.04456	2.1
172.05229	0.9
173.02338	1.0
174.03149	1.3
175.00252	0.9
175.03842	1.1
176.01056	1.0
178.99812	10.4
180.00298	1.2
183.04436	1.7
187.03903	3.4
189.01822	1.6
192.00601	1.1
193.98470	0.8
194.99295	1.3
198.03253	1.7
199.03966	4.6
201.01842	2.6
202.02576	1.1
203.03416	2.6
206.99275	2.9
207.99995	1.4
209.00610	0.9
211.03972	1.5
213.01831	1.4
214.02710	3.0
215.03397	3.0
216.04124	1.9
226.02728	2.1
227.03419	6.4
229.01488	1.6
231.02948	2.8
232.03551	1.2
242.02182	4.3
243.03006	8.6
244.03635	2.0
245.04355	1.8
255.02953	6.5
259.02463	5.6
260.03030	1.0
270.01675	8.3
271.02469	38.5
272.03079	7.9
273.03955	4.0
287.01974	14.9
288.02734	6.7
289.03607	1.6
298.01001	1.7
299.01962	38.1
300.02441	3.9
301.03381	2.1
315.01535	2.8
316.02234	60.5
317.02948	33.6
318.03375	3.5
489.12549	1.8
517.11829	1.3
581.14948	0.9
607.12811	2.1
608.13635	1.2
625.14069	100.0
626.14471	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	625.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72819	0.6
57.03326	8.1
59.01252	6.0
61.98705	29.4
63.02260	1.9
65.00200	4.2
67.01733	0.9
69.27240	2.7
69.27676	2.3
71.01255	5.3
71.28377	0.6
72.99155	0.6
73.02815	2.1
75.00741	1.2
80.02036	0.6
81.03333	3.6
83.01253	7.7
83.04882	1.0
85.02826	2.2
87.00751	1.5
87.46571	0.5
88.98677	1.7
89.02332	3.2
93.03340	5.4
95.01284	0.8
97.02835	1.7
99.00768	1.3
101.02315	3.6
107.01273	5.9
107.04897	1.0
108.02060	1.3
109.02836	3.2
111.00746	1.2
113.02336	2.4
117.03337	2.3
119.03383	0.9
119.04915	2.0
121.02824	2.3
122.03618	1.0
123.00769	0.8
123.04422	4.1
124.01554	2.4
125.02344	52.0
126.02668	2.2
131.01280	0.6
131.04903	1.5
132.02026	1.1
133.02843	5.8
134.03586	1.9
135.04413	2.3
137.02356	3.8
138.03101	1.7
139.03882	2.0
145.02847	4.7
145.06456	1.6
149.02359	3.1
149.05965	0.8
150.03110	2.0
151.00273	19.5
151.03914	1.7
152.01083	4.9
153.01846	10.3
153.05481	2.0
154.02493	0.7
157.06497	1.3
158.03636	1.2
159.04425	0.8
160.01501	3.4
161.02347	7.8
161.04407	3.0
161.09676	1.8
161.13280	0.7
162.03102	2.5
163.00296	0.7
163.03902	1.6
164.04701	0.9
165.01851	1.8
165.05493	1.1
167.03426	1.8
169.01276	1.3
171.04335	0.7
172.05219	3.8
173.06001	10.5
175.00285	1.6
175.03908	5.7
176.01060	1.0
176.04492	0.7
177.01875	1.7
177.05513	4.6
178.02611	1.1
178.99788	13.3
179.03345	1.7
180.00146	0.8
180.04282	1.2
181.01291	0.8
181.05013	0.8
185.11775	0.7
187.07498	0.9
187.11182	1.9
189.09116	1.4
193.01341	0.8
193.04996	1.8
195.02963	0.6
195.06578	1.9
197.06029	0.9
199.04008	0.8
199.07539	1.3
200.04738	1.6
201.05522	3.0
205.12315	1.0
213.05473	0.8
213.07573	1.5
215.07079	13.7
219.06697	0.9
223.13335	1.2
241.05093	2.4
243.02843	0.7
243.06631	7.1
249.11404	1.4
259.06100	100.0
260.06433	7.2
265.14468	2.4
267.10782	9.6
268.11209	0.7
269.04526	9.1
270.05029	0.7
271.02621	0.8
271.05923	0.6
273.07602	2.0
283.06097	15.4
284.06396	1.7
285.04059	1.3
286.04276	0.6
287.05615	65.5
288.05972	5.7
289.07117	1.0
295.08356	0.9
300.02585	0.8
301.03888	0.8
301.07178	6.3
307.08127	0.8
311.05707	1.4
313.07071	0.9
323.07648	1.3
325.06900	0.8
329.06406	0.9
337.09409	1.4
357.11938	1.7
357.26511	0.7
373.25867	2.2
374.26196	2.6
375.13220	1.0
375.27490	19.8
440.03357	0.6
490.11075	1.2
491.11935	2.5
597.16174	20.4
598.16309	3.1
607.14850	0.8
607.23999	1.5
625.15234	6.4
625.25702	9.6
626.15735	1.3
626.25873	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.7
57.03324	8.9
59.01246	7.1
60.99174	2.2
61.98708	8.4
63.02272	1.4
65.00191	6.2
68.99677	0.8
69.03307	0.9
71.01250	4.0
71.55001	1.0
72.99189	0.9
73.02824	1.4
75.00744	0.9
81.03329	2.7
83.01254	6.3
85.02818	1.1
87.00715	1.8
88.98676	11.3
89.02347	1.2
93.03330	4.5
95.01311	1.2
95.07715	0.7
95.29926	0.7
97.02855	1.4
99.00755	1.0
101.02338	1.4
107.01279	9.7
107.04920	2.6
108.02062	1.2
109.02843	2.3
113.02336	1.4
117.03371	3.3
119.04898	1.9
121.02841	2.2
123.04401	4.2
124.01555	2.2
125.02338	60.4
126.02670	1.7
131.04955	0.8
132.02060	1.5
133.02866	3.7
133.06448	1.3
134.03638	3.1
135.04410	2.6
137.02330	3.4
145.02826	4.6
145.06462	1.2
147.04469	0.8
149.02357	5.6
149.05898	1.4
149.99492	1.3
150.03142	8.5
151.00275	28.8
151.03873	2.3
152.01059	5.2
153.01849	10.4
153.05495	2.6
159.04366	1.3
160.01556	6.5
161.02383	4.4
161.09628	1.9
162.03127	1.2
163.00302	2.8
163.03961	1.2
164.01054	1.1
165.01814	3.0
165.05486	11.9
167.03429	1.3
169.06505	1.3
172.05168	2.5
173.06017	6.9
175.03928	8.6
176.01053	3.1
177.01859	2.7
177.05435	2.4
178.02580	1.2
178.99776	10.9
179.03432	3.0
179.06932	1.5
181.06517	1.3
187.11217	2.3
189.09077	1.4
191.07022	0.9
193.01334	0.9
193.04953	2.9
195.06544	4.6
196.05144	0.8
197.05980	2.0
199.03900	2.6
199.07672	0.9
201.05542	2.1
203.03445	1.4
205.05075	1.3
205.12260	1.4
207.10182	0.9
213.05495	1.4
215.07079	5.8
225.05484	2.5
227.03447	1.1
237.07727	1.5
241.05046	3.6
242.25508	0.8
243.06561	3.1
249.11328	1.2
259.06094	89.4
260.06406	7.2
265.06958	1.2
267.10666	1.8
268.03732	1.4
269.04547	100.0
270.04819	8.6
271.02765	1.4
273.07333	1.0
287.05603	31.0
288.05945	2.6
289.07385	1.1
295.08154	1.1
299.02008	0.9
300.02737	3.0
301.03552	1.7
311.05573	2.4
316.01926	1.2
323.07828	1.2
337.09198	2.1
343.11835	0.8
375.27576	5.5
403.13998	2.3
463.12631	1.4
518.10809	2.6
518.21796	1.1
597.15985	3.4
598.16925	1.0
607.14362	4.7
607.23022	1.4
608.14978	1.2
624.31299	1.3
625.15381	35.0
625.25232	11.3
626.15735	6.9
626.25720	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	9.4
58.00464	3.0
59.00949	2.4
59.01249	43.6
61.98703	28.7
69.03304	1.8
71.01254	27.3
72.88437	1.3
72.99159	4.3
73.02798	4.9
74.61742	1.3
75.00729	4.6
80.63258	1.2
83.01244	3.7
83.04881	4.4
85.02817	7.6
87.00747	17.9
88.98679	6.1
89.02317	17.2
95.01250	1.8
95.04945	1.8
97.06411	3.5
99.00764	2.8
101.02304	14.2
107.04931	10.5
108.02052	2.7
109.02852	2.0
109.06454	2.2
113.02309	7.9
115.07545	1.3
117.03342	7.7
117.06398	1.3
119.03439	8.0
119.04867	4.3
120.05689	5.2
121.02849	4.6
122.03623	2.7
123.00691	1.7
123.04386	7.8
125.02352	15.0
133.02812	5.1
135.04413	7.6
135.08052	1.8
137.02338	4.9
138.03041	1.7
141.33386	1.7
143.03398	1.9
145.02858	32.0
146.03673	8.1
146.07175	1.9
147.04443	7.9
147.08028	1.8
149.02310	4.7
150.03163	8.6
151.00261	3.1
151.03839	4.1
152.01143	1.6
152.04555	3.0
153.01799	1.9
153.05428	2.4
157.06425	2.1
160.01535	2.4
161.01067	2.6
161.02348	33.3
161.04482	5.5
161.09630	24.6
161.13268	11.9
162.03137	38.2
163.03917	11.2
163.11223	7.5
164.04578	1.7
165.01825	1.4
165.05496	10.7
167.03448	1.5
169.12291	1.7
173.06117	1.5
175.03973	3.2
177.05487	15.2
179.03281	2.3
179.05501	4.5
180.04190	14.9
181.04947	1.6
187.11227	29.7
188.11572	2.5
189.01923	2.4
189.09146	22.4
193.04947	1.7
195.06552	25.1
201.05550	2.1
203.10667	6.0
205.05019	1.8
205.12320	15.9
207.06425	1.5
207.10260	10.3
223.13326	7.9
229.12320	2.1
231.10054	2.8
243.02834	2.2
247.13261	1.5
248.74757	1.8
249.11314	17.9
250.11768	2.2
255.03168	1.3
259.06027	4.9
267.10440	20.9
267.12885	2.5
269.04584	2.4
271.02408	6.0
271.05853	1.7
287.05576	3.8
289.07025	2.6
300.02750	3.0
301.03308	2.6
307.08585	1.7
329.23444	2.3
330.42682	1.4
339.10532	2.7
339.14404	1.6
343.10330	3.1
357.11908	21.6
357.26447	2.6
369.15469	7.5
373.25638	1.5
374.26184	1.5
375.27493	56.2
376.27701	5.6
391.27023	2.1
425.27863	1.5
429.17386	3.7
463.16254	1.6
607.14380	2.4
607.23975	34.9
608.24353	8.6
611.47601	1.4
625.15631	10.5
625.24963	100.0
626.16003	1.3
626.25385	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	7.0
58.00470	3.1
59.01254	62.0
61.03571	2.3
61.98701	16.4
67.29923	2.5
69.40730	18.5
71.01263	23.7
72.99182	3.1
73.02827	4.8
74.98972	24.5
83.01270	4.8
83.04900	5.3
85.02815	9.5
87.00756	20.3
89.02320	15.3
95.01208	3.6
97.06467	5.6
101.02322	14.6
107.01274	4.4
107.04920	13.8
108.02047	4.6
108.48751	2.5
109.02866	3.1
113.02311	10.0
117.03345	11.3
119.03408	9.3
119.04894	4.3
120.05679	5.5
121.02849	4.1
122.03657	3.0
123.04436	7.4
125.02327	6.1
133.02840	6.3
135.04414	7.8
136.99031	28.2
137.02400	4.4
145.02856	34.7
146.03613	5.8
147.04411	11.0
149.02412	4.3
150.03131	11.0
151.00252	7.1
152.04738	3.9
153.01813	3.4
161.02379	32.8
161.04414	3.4
161.05963	3.0
161.09636	34.6
161.13272	14.4
162.01898	3.5
162.03156	39.4
162.09958	3.7
163.03893	10.8
163.11205	5.0
164.04544	2.9
165.01872	3.3
165.05539	20.8
165.12772	3.4
177.05498	17.7
178.99756	3.5
179.05536	5.4
180.04237	16.6
183.13885	3.7
187.11232	36.7
188.11589	4.0
189.09164	23.6
190.09509	3.4
193.04849	3.4
195.06589	21.6
203.10699	5.8
205.12296	16.2
207.10243	11.0
219.06306	2.7
223.13382	7.6
229.12195	3.6
231.10150	3.9
232.10738	2.7
249.11330	27.1
250.11526	2.7
267.12433	15.1
300.03040	3.7
301.03616	15.3
339.10767	3.6
357.11929	26.4
358.12491	3.0
369.15594	5.2
429.17783	5.1
462.84412	2.7
607.23901	36.5
608.24115	7.4
608.67316	2.8
625.13666	7.6
625.25134	100.0
626.25330	23.7
632.55408	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	625.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87056	0.3
53.19394	0.3
55.01758	3.2
57.03325	2.7
58.00483	0.7
59.01256	18.2
61.98703	9.4
63.96075	0.4
69.03312	0.6
71.01256	24.5
72.01589	0.4
72.99187	2.0
73.02442	0.6
73.02824	8.8
75.00735	0.7
83.01259	5.9
85.02826	14.2
85.99965	1.1
86.03161	0.4
86.90524	0.3
87.00754	2.2
89.02316	4.8
95.01279	2.6
97.02829	0.9
99.00764	2.8
101.02328	18.1
108.02072	0.5
109.02826	0.7
111.00773	4.5
113.02330	9.4
116.92750	2.0
117.03343	0.6
119.03395	1.6
123.04401	0.8
124.01553	0.3
125.02309	1.5
125.03123	0.3
125.21992	0.3
126.98407	0.4
129.01807	1.1
131.03418	0.5
131.07547	0.4
135.98289	0.4
137.02332	0.6
141.01837	0.9
143.03358	0.5
145.02884	1.8
153.05501	0.5
159.02885	1.9
160.01491	0.5
161.04472	2.5
175.03862	0.4
190.02611	0.6
209.11806	0.5
301.27399	0.5
319.83252	0.4
371.24335	1.6
463.32770	10.7
464.33096	1.6
625.38031	100.0
626.38409	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	626.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.1
59.01248	0.7
59.74781	0.1
60.14978	0.1
61.98703	100.0
62.98388	0.2
64.56628	0.1
65.26909	0.1
71.01247	0.6
71.26264	0.1
72.99202	0.2
74.74856	0.1
75.00760	0.1
78.95781	0.2
83.01287	0.1
83.04939	0.2
85.02835	0.3
88.98678	0.3
89.02312	0.2
101.02319	0.5
109.02847	0.1
111.04445	0.1
113.02336	0.1
117.03335	0.3
117.76725	0.1
119.03364	0.2
121.02814	0.2
123.04397	0.4
125.02318	0.7
136.05235	0.1
137.02324	0.2
145.02872	0.6
149.05975	0.1
151.03973	0.2
151.07516	0.2
152.99480	0.2
153.05522	0.3
161.02298	0.2
161.04478	0.1
167.03453	0.2
188.03468	0.4
190.02631	0.2
274.13687	0.1
282.99927	0.1
296.00378	0.1
299.56088	0.1
305.07645	0.1
350.70917	0.1
409.11679	0.1
428.16089	0.2
431.05157	0.1
561.46454	0.2
597.70789	0.2
626.37195	0.6
627.28564	0.1
627.37842	0.9
629.77179	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	627.2099
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
53.70292	0.2
61.98732	0.2
73.02831	1.4
95.88228	0.2
98.19752	0.5
150.24728	0.3
216.56732	0.3
233.25160	0.3
306.41171	0.3
407.68970	0.3
437.12692	1.2
438.13138	1.4
450.13242	0.4
450.93033	0.3
451.13986	1.7
452.14893	4.9
453.15268	1.1
465.15720	1.1
466.16495	1.0
467.17462	0.4
469.11176	0.4
475.13910	0.3
478.12964	0.4
479.17514	1.0
480.14685	1.2
481.15070	10.1
481.25494	0.4
482.15506	2.2
484.13922	0.9
488.13754	0.4
493.15244	1.4
494.16034	1.2
495.16772	17.0
496.17151	4.9
498.15356	0.5
507.15762	1.3
508.17822	2.5
509.18423	1.8
512.12915	1.3
514.14655	0.3
518.15906	0.5
521.14697	1.0
522.14984	0.5
523.16754	1.0
523.19098	1.0
525.14160	0.4
526.14905	1.3
528.16364	0.4
533.18488	0.7
535.16095	1.8
536.16895	3.5
537.17407	0.8
539.15668	0.9
539.22949	0.3
540.16956	3.3
541.16687	0.9
551.19385	43.5
552.19598	10.7
553.17255	0.4
554.18896	1.6
555.18903	1.5
567.18610	0.5
568.16644	0.9
572.15381	2.9
572.80499	0.3
573.15747	0.7
583.21918	0.6
586.17004	2.0
587.17114	0.4
595.18420	9.6
596.18500	2.3
627.20959	100.0
628.21198	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	10.2
59.01248	2.8
61.98705	12.3
67.91247	0.4
71.01254	3.3
71.54132	0.4
73.02855	0.5
76.01831	0.4
78.95777	0.5
81.03329	2.4
83.01262	12.0
83.45302	0.3
85.02817	1.1
89.02302	0.9
90.17778	0.4
93.03358	0.4
95.04853	0.5
97.02844	0.6
101.02345	1.8
109.02850	0.8
113.02380	1.1
121.02856	0.5
122.98201	0.4
123.04417	5.2
124.01574	0.5
125.02341	100.0
126.02685	2.8
136.05194	0.7
137.02364	0.7
139.03897	0.5
149.02351	4.2
151.07552	0.9
152.99550	0.4
153.05513	3.3
160.01556	0.4
161.02304	0.5
161.04442	0.8
163.04083	0.5
165.01822	0.4
167.03403	0.9
175.04018	0.6
181.04892	0.5
185.11797	0.4
191.03493	0.5
193.04968	0.6
209.11937	0.6
211.13194	0.4
241.01248	0.4
299.61401	0.4
327.25391	1.8
339.25385	1.7
357.26471	22.3
358.26892	1.9
359.27997	1.1
465.32007	0.5
550.77386	0.4
627.27911	1.2
627.37640	5.5
628.38147	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85610	0.1
54.97750	0.1
57.03317	0.1
57.47773	0.1
59.01253	0.8
59.64685	0.1
61.98703	100.0
62.98398	0.2
65.18917	0.1
71.01263	0.5
71.54741	0.2
73.02823	0.3
75.00755	0.2
76.88187	0.1
83.01282	0.2
85.02831	0.2
88.98684	0.2
89.02341	0.2
93.03346	0.1
96.95908	0.3
98.91579	0.1
101.02325	0.2
109.02889	0.3
113.02336	0.2
121.02872	0.2
123.04435	0.6
125.02387	0.4
135.04453	0.1
135.08127	0.2
137.02396	0.3
139.03886	0.2
145.02888	0.2
149.02356	0.3
150.03217	0.1
151.00386	0.1
151.03966	0.2
151.07620	0.4
153.01903	0.2
153.05472	0.8
165.05466	0.2
177.01900	0.3
195.06593	0.1
272.70508	0.1
289.07047	0.3
301.07306	0.3
418.04782	0.1
611.38232	0.3
628.38214	0.2
629.39539	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58048	0.7
59.01249	8.7
60.36280	0.7
61.98702	30.7
65.00224	0.8
69.36159	6.3
71.01248	3.7
71.73669	0.7
72.99192	0.9
75.00741	1.2
80.96429	0.8
83.01289	1.1
85.02811	1.2
88.98686	3.6
89.02322	2.7
93.03324	2.3
95.01257	1.5
95.04865	0.8
96.95901	4.5
99.00802	0.7
99.04330	0.9
101.02327	2.3
108.02048	1.3
109.02819	3.4
111.00759	1.5
113.02328	1.3
116.92741	0.9
116.93889	0.8
117.03365	1.1
119.04928	1.5
120.99544	100.0
121.02822	1.8
121.99893	1.1
122.03622	1.9
123.00764	1.5
123.04429	5.8
124.01517	0.9
124.04713	0.9
125.02343	3.1
134.00793	0.8
135.04404	0.9
137.02335	5.5
138.01863	0.9
138.03088	1.2
139.03889	1.8
145.02881	4.1
149.02333	3.9
150.03127	13.0
151.00282	5.9
151.03917	6.9
153.01810	1.2
153.05545	4.3
160.01488	1.0
161.02370	2.1
161.04424	1.1
162.03117	1.0
163.03906	1.6
165.00067	1.7
165.01820	3.1
165.05476	11.0
166.02594	5.0
167.03479	1.7
167.10651	0.8
175.03947	1.8
177.01865	2.1
177.05461	1.7
179.03416	1.6
180.04207	1.2
181.04984	11.2
182.05161	1.3
183.10194	2.1
189.01711	0.9
190.02621	1.3
191.03383	1.7
191.05495	1.2
192.04260	1.2
194.04330	0.9
195.06509	6.3
203.03468	2.2
205.05028	1.7
207.06636	0.9
209.04617	0.9
211.03983	1.4
211.05904	1.3
218.05803	1.7
227.03497	2.7
233.08174	3.6
235.05884	1.0
236.06894	1.5
243.02994	1.3
251.09250	7.9
251.35732	0.8
255.02934	9.7
256.03586	1.1
271.02496	1.6
284.03259	8.5
285.04019	10.9
286.04581	1.0
289.07281	1.4
300.02652	2.3
301.03641	5.1
313.07275	1.3
327.08588	1.2
329.10043	1.0
341.06552	1.6
357.09271	0.8
358.10538	2.7
359.11221	3.5
359.15222	1.2
373.12872	5.2
389.12054	1.1
404.14670	1.1
418.12677	1.2
419.17126	10.8
420.17496	1.2
431.13464	1.0
433.15015	8.3
434.15039	0.9
487.10260	1.3
509.30524	0.9
566.23175	2.7
577.20306	1.2
581.20404	2.7
593.13062	12.7
593.26117	1.8
594.13239	3.4
629.22211	11.3
630.22369	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	630.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.2
59.01250	1.1
61.98705	100.0
62.98421	0.3
69.33628	0.6
69.34055	0.8
71.01265	0.8
73.02832	0.3
83.01261	0.3
85.02849	0.6
88.98686	0.2
89.02333	0.7
96.95910	0.5
97.02842	0.2
99.00777	0.2
101.02324	0.5
105.57784	0.2
109.02850	0.8
113.02323	0.4
117.76595	0.2
119.04980	0.2
120.08090	0.4
121.02887	0.4
122.03728	0.2
122.05991	1.0
123.04437	1.5
125.02320	1.0
127.04025	0.2
132.61014	0.2
132.76251	0.2
135.08076	0.5
136.05103	0.2
136.07552	0.2
136.08540	0.3
137.02347	0.9
139.03983	0.3
145.02898	0.2
149.02333	0.4
151.03955	0.7
151.07600	0.3
153.05504	1.7
154.05814	0.2
161.02429	0.2
161.04515	0.3
161.05927	0.2
164.01173	0.2
167.03482	0.4
175.03978	0.2
179.03450	0.5
195.06688	0.2
205.04884	0.2
209.11853	0.2
215.07083	0.3
245.08217	0.2
246.08679	0.3
251.11986	0.4
266.37775	0.2
271.02533	0.2
273.00751	0.2
277.09985	0.6
289.07172	1.4
290.07669	0.5
291.11407	0.3
292.12482	0.4
293.13055	0.4
301.07291	0.8
302.07703	0.6
336.11044	0.4
376.28256	0.2
429.89255	0.2
432.19455	0.3
438.07068	0.2
441.49884	0.2
469.34717	0.2
476.18530	0.4
477.30435	0.3
508.20844	1.8
529.30884	0.2
555.26532	0.5
567.27393	0.2
571.35950	0.2
581.24316	0.2
599.25342	1.3
612.18921	0.2
613.39764	0.5
629.39703	0.3
630.21234	0.6
630.39685	1.1
631.28705	1.1
631.40094	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.2
58.54416	0.2
59.01239	0.9
61.98704	100.0
71.01253	0.9
71.53929	0.2
85.02848	0.3
87.00753	0.3
89.02333	0.6
93.06840	0.2
95.72404	0.1
96.95913	0.5
97.73611	0.2
101.02339	0.4
109.02799	0.2
113.02348	0.4
119.04936	0.5
123.04414	0.5
125.02367	0.6
131.03471	0.2
133.04979	0.2
137.02327	0.2
139.22531	0.2
145.02893	0.6
151.03957	0.2
153.05540	0.3
161.02370	0.3
161.05988	0.3
163.03963	0.5
165.01817	0.2
171.10146	0.2
201.66756	0.2
205.05066	0.4
208.25587	0.2
235.06099	0.3
265.07248	0.8
279.06567	0.4
294.09134	0.3
357.26678	0.2
359.27930	0.3
420.00671	0.2
519.31647	0.3
625.02832	0.2
634.35089	0.2
635.30560	0.5
635.39313	0.3
645.45898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.2
61.98706	100.0
67.70018	0.2
71.01268	1.1
73.02824	0.3
75.00764	0.5
77.75392	0.2
85.02836	0.4
88.98698	0.4
89.02322	0.9
92.48170	0.2
101.02336	0.5
108.93473	0.2
112.41111	0.2
117.03339	0.4
119.03419	0.2
123.04443	0.7
125.02355	0.8
133.04979	0.7
137.02348	0.5
145.02835	1.4
151.03954	0.3
153.05493	0.9
161.02417	0.2
163.03984	0.3
171.10188	0.5
245.08336	0.3
307.08328	0.5
320.29947	0.2
322.68747	0.3
359.28027	0.3
410.29718	0.3
418.06815	0.2
426.89807	0.3
438.38480	0.2
473.29022	0.4
499.72937	0.3
518.30994	0.3
624.15588	0.3
635.21729	0.3
635.30884	0.3
635.40216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	20.6
64.06145	1.1
70.73705	3.0
72.31806	1.3
78.95774	4.4
92.19568	1.5
93.34408	1.2
98.19663	1.4
124.10835	1.3
129.63170	1.1
130.13298	1.2
152.99423	2.5
155.72873	1.2
214.27019	1.3
223.13213	1.6
255.23250	5.5
293.52255	1.4
429.17209	2.0
431.19235	3.2
445.16669	5.0
458.17432	2.1
473.15677	3.4
474.16672	8.1
475.17563	5.1
479.28387	1.5
487.17935	2.4
488.18640	7.7
489.19034	6.5
490.20096	5.4
493.18701	1.4
501.19217	3.5
505.22293	5.0
516.17969	2.5
527.21130	1.6
529.19000	2.3
548.20721	5.8
575.08344	1.5
575.23016	18.5
576.23572	8.9
603.22589	4.0
635.25146	100.0
636.25446	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	635.2512
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
61.98692	1.5
78.95779	3.0
102.24312	0.8
135.52623	0.8
142.63499	0.8
152.99472	2.7
225.11290	0.8
229.29359	0.8
255.23367	4.0
406.64590	0.7
415.15439	1.0
419.18747	1.8
430.14343	2.7
431.19595	4.3
432.18988	1.3
433.20447	1.4
444.15683	1.0
445.15991	3.8
446.16479	0.9
446.21646	1.0
458.17014	3.7
459.13785	1.5
459.18964	1.4
473.15903	3.1
473.20740	2.6
474.16458	8.7
475.17487	5.2
476.18063	1.1
487.18054	3.3
488.18448	9.3
489.19299	7.1
490.20135	8.1
491.20291	1.2
501.19427	2.3
502.20203	1.0
504.21011	0.8
505.22375	5.0
516.17987	2.3
517.18127	1.2
526.20416	0.9
529.18994	1.8
549.21295	3.1
559.23517	1.6
560.20160	1.3
561.21155	1.4
575.22974	17.6
576.23566	11.5
577.24304	1.7
603.22363	2.3
635.25128	100.0
636.25391	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	635.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	15.2
59.00950	5.0
59.01253	100.0
61.98701	6.8
71.01272	3.2
71.95354	2.8
76.88115	2.4
105.59064	2.5
113.05933	2.6
123.04443	2.4
137.02357	3.2
147.40201	2.2
151.03864	3.6
172.53662	3.4
177.05476	3.7
182.77663	2.4
187.03981	4.1
190.06209	3.7
202.10007	13.5
213.05577	3.2
215.96118	2.3
217.12276	4.0
227.07024	3.1
228.07979	4.1
243.10229	6.3
277.10507	2.5
287.09348	5.8
319.15015	2.8
335.14835	3.2
345.13324	3.8
408.41003	2.5
421.77408	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	635.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	14.1
59.84660	4.2
68.54144	4.2
69.60627	11.3
69.61025	21.7
98.19855	6.5
102.79436	4.9
135.04424	39.9
167.91299	5.1
174.06726	17.9
193.90756	5.4
222.93245	5.1
258.16214	100.0
273.18591	39.8
291.80389	4.9
317.17538	51.4
318.17767	6.4
426.36679	5.7
492.64304	6.8
535.72107	5.0
579.47028	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	637.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	4.4
57.03334	5.7
58.00458	1.7
59.01255	39.3
61.98705	39.5
67.35661	1.0
69.03332	1.5
69.35529	4.9
69.35954	2.5
71.01255	47.6
72.01604	1.2
72.99184	5.4
73.02826	18.4
75.00754	2.6
82.83176	1.2
83.01257	11.1
83.04890	1.3
85.02824	23.1
86.03162	1.2
87.00758	4.7
88.98684	2.1
89.02322	14.0
93.06979	4.2
95.01264	3.0
95.04888	1.1
96.95866	1.4
97.02802	2.3
98.19878	2.7
99.00746	8.0
101.02325	43.6
102.02624	1.2
107.04877	1.4
109.02867	1.3
111.00749	4.4
113.02328	17.7
115.00233	1.9
116.92746	2.0
117.03336	2.2
119.03408	2.9
119.04904	1.9
120.99532	1.7
121.02885	1.5
123.04385	3.7
125.02402	5.3
127.12714	1.1
129.01839	3.2
131.03409	2.4
133.02875	2.1
134.03642	1.1
135.04425	2.6
135.06538	2.5
137.02335	1.9
141.97012	1.0
143.03384	2.8
145.02870	6.4
149.04443	2.6
149.05898	1.0
151.03870	2.0
153.05522	2.6
159.02916	2.6
161.02303	3.4
161.04478	9.9
161.09598	2.3
163.03951	1.7
165.01843	1.9
165.05594	1.4
167.03400	2.0
175.03906	3.2
179.05542	2.3
179.06987	1.2
180.04204	1.6
187.11232	4.0
189.09128	2.5
190.02698	1.5
193.05046	1.5
195.06583	6.5
205.04999	2.2
205.12169	2.0
207.10211	1.0
209.11806	6.3
213.18530	3.9
225.18794	1.0
235.08264	1.6
267.12259	1.7
279.06686	3.7
285.03918	1.4
285.13873	1.2
289.07104	1.2
297.11935	10.5
309.11359	6.1
327.25378	2.4
343.28476	1.5
343.90598	1.4
357.26468	39.2
357.30920	2.3
358.26736	4.1
359.28171	4.9
375.23605	5.9
375.27686	3.3
391.28067	1.0
431.22635	1.4
475.31516	1.8
505.33847	100.0
506.34128	15.9
521.32703	1.4
601.05896	1.2
637.38684	72.6
638.39203	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.4
59.01256	9.9
61.98705	9.2
62.19427	0.6
64.60695	0.7
65.00201	1.9
72.99176	0.9
73.02800	0.8
83.01266	2.3
85.02818	1.5
87.00763	1.6
88.98678	3.0
89.02318	2.8
93.03322	1.5
96.95893	2.7
101.02320	2.8
107.01273	2.8
108.02064	2.0
109.02831	2.7
113.02278	0.9
116.92740	2.1
117.03339	1.3
119.04937	1.2
120.99562	7.1
121.02857	3.4
123.04406	2.3
125.02310	3.7
132.02043	0.8
133.02844	1.5
134.03613	1.3
135.04411	1.6
136.01578	4.3
137.02344	2.3
145.02843	5.1
147.04370	1.0
148.01591	2.0
149.02299	1.7
150.03117	1.2
150.99124	1.4
151.00278	14.6
151.03911	11.9
153.05513	0.8
159.04376	1.1
160.01555	2.1
161.02385	4.3
161.05954	1.1
163.00250	3.0
163.03902	2.1
164.01079	1.6
165.01888	1.3
165.05463	2.0
167.03290	0.8
173.04488	0.9
175.03900	3.5
178.98352	1.1
178.99774	6.8
179.03418	1.4
187.03973	1.1
190.02577	1.1
193.05052	1.3
195.06503	1.7
199.03990	1.8
201.05463	0.9
201.52591	0.7
203.03337	4.8
205.05002	1.0
211.03839	0.9
215.03423	1.2
217.04881	1.0
218.05792	4.2
219.06622	0.8
226.02620	1.8
227.03421	3.3
229.05031	0.7
233.08145	5.4
243.02979	13.2
244.03445	1.0
245.04492	1.0
254.02272	2.0
255.02963	27.4
256.03531	1.5
271.02481	63.6
272.02863	6.8
283.02493	1.9
283.10324	3.4
285.04010	1.5
289.07291	1.4
299.01984	2.8
299.05118	0.8
300.02740	100.0
301.03467	51.4
302.03793	3.7
314.04407	1.1
315.05145	4.7
323.07669	2.5
337.09097	1.1
355.11929	0.8
371.24210	1.5
373.25848	6.4
375.27383	0.9
385.12836	2.6
392.27252	0.8
417.15494	10.0
463.08826	44.7
464.09113	6.3
477.10220	2.9
496.30493	0.7
639.13531	62.4
639.25403	2.9
640.13898	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	639.1566
Annotation	Patuletin 3-O-rutinoside
Peak:m/z	Relative Intensity
59.01231	1.1
65.00194	3.8
67.01752	0.8
69.68687	5.3
74.09647	0.9
83.01256	1.5
84.15871	0.8
85.02802	1.0
95.01265	2.6
99.00759	1.5
101.02287	0.9
107.01263	1.7
108.02051	1.1
109.02816	1.3
109.99969	3.5
111.00758	5.2
123.00756	4.7
123.04440	0.9
124.01546	1.9
125.02306	2.5
131.33228	0.8
135.00763	1.6
136.98695	3.0
137.02371	1.2
137.62004	1.0
137.99487	2.1
139.00230	7.4
143.04958	1.7
147.04401	1.4
149.02315	1.7
151.00244	6.4
152.01062	3.8
153.01794	1.4
159.04457	2.1
161.02303	1.4
163.00317	2.3
164.98232	1.3
165.98996	7.0
166.99762	3.8
171.04370	4.3
175.03920	2.6
177.01790	0.8
178.99792	5.4
186.03087	1.4
187.03934	3.7
189.01875	1.4
193.01395	1.5
193.98569	1.0
197.02280	1.0
198.03151	2.1
199.03897	2.3
201.01828	1.0
202.02766	1.7
203.03345	4.3
205.01277	0.9
209.00888	1.5
213.01913	2.9
213.05249	1.0
214.02641	3.9
215.03441	9.8
216.04221	1.5
217.01389	1.6
224.86682	0.9
225.01718	1.3
226.02635	2.0
227.03568	2.2
230.02127	1.0
231.02890	6.5
241.01445	4.5
242.02170	10.2
243.02936	12.1
244.03754	2.0
245.00919	1.7
254.02290	1.2
255.02966	1.4
257.01025	0.9
257.04462	2.4
258.01718	9.8
259.02451	12.9
259.05533	1.1
259.06082	1.0
260.02911	1.1
269.00861	2.3
270.01718	11.5
271.02457	10.3
272.03214	4.6
273.03958	3.9
274.04681	1.0
284.03177	1.0
285.03986	15.1
286.01337	8.2
286.04266	1.8
287.01993	45.4
287.05463	5.3
288.02408	4.0
297.60114	1.1
298.01080	4.9
299.01965	3.3
300.02609	3.1
301.03470	11.8
302.04272	13.0
303.04868	1.9
313.03546	13.3
314.04080	1.8
315.01544	22.0
315.05087	3.1
316.02185	14.7
317.02637	1.6
329.02917	2.1
330.03781	35.3
330.86139	0.9
331.04562	46.2
332.04977	3.4
489.12338	1.1
621.14984	1.9
639.15637	100.0
640.16028	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	639.1568
Annotation	Quercetin 7-methyl ether 3-gentiobioside
Peak:m/z	Relative Intensity
50.52303	0.8
59.01234	1.3
63.21035	0.9
65.00198	1.0
69.59724	3.1
69.60130	1.6
75.66820	0.8
83.01261	1.2
85.02803	1.4
89.02306	1.5
93.74534	0.8
98.20554	1.7
99.19168	0.8
101.02291	0.9
107.01257	2.0
111.00757	1.4
116.92728	1.0
121.02872	1.2
123.04411	1.2
125.02345	1.3
133.02803	1.8
135.04405	1.2
145.02852	2.0
151.00285	8.5
153.05481	1.0
155.04782	1.0
159.04373	1.7
160.01630	1.3
161.02336	4.4
164.01144	1.7
165.99017	0.9
169.01376	1.2
171.04332	1.7
175.03879	3.1
177.01767	1.2
178.99860	4.8
179.03355	0.9
183.04454	2.0
199.03949	7.5
200.04411	0.9
201.01854	1.2
203.03381	1.0
211.26785	0.9
213.01822	0.9
215.03459	3.9
226.02684	1.6
227.03416	7.6
233.42496	1.0
242.02144	6.4
243.02963	36.1
244.03365	2.5
246.81554	1.0
255.00511	1.4
255.02960	12.7
257.04422	5.1
270.01700	7.3
271.02463	48.6
272.02811	5.2
285.04031	14.2
286.04800	4.4
287.02039	1.4
287.05368	2.0
299.01965	84.8
300.02621	22.7
301.03415	1.4
313.03464	2.7
314.04303	87.7
315.01608	1.8
315.05014	38.7
316.02216	1.5
316.05423	2.5
330.03665	1.5
331.04620	1.3
339.05029	0.9
438.09610	0.9
459.09341	3.4
477.14359	1.3
492.29227	0.9
632.89777	0.9
639.15656	100.0
640.15918	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	639.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65411	0.7
56.26408	0.7
57.03318	1.1
59.01258	5.4
61.98708	26.3
66.53793	0.7
68.99686	1.0
71.01260	10.2
71.54825	1.0
73.02804	2.6
83.01241	2.1
85.02831	4.2
87.00774	1.0
88.98695	1.6
89.02312	1.8
93.03342	36.3
94.03677	0.9
95.01263	2.2
96.99210	1.2
97.02831	1.0
99.00758	1.2
101.02337	8.8
101.05952	0.9
104.99033	0.8
108.02030	2.0
109.02852	4.8
112.95153	0.9
113.02318	3.6
116.92732	1.6
117.03292	2.0
119.04926	1.5
120.99645	0.9
121.02844	4.1
122.03610	1.3
123.04440	4.6
125.02326	2.6
133.02817	1.1
134.03627	1.5
135.04381	1.0
136.01569	27.6
137.02354	71.6
138.02687	2.6
143.03476	0.9
145.02852	5.2
146.03641	1.4
147.04398	2.0
149.02357	1.4
149.04628	0.8
149.05894	1.0
150.03062	1.0
151.03925	26.5
152.04271	1.3
153.05470	2.4
160.01588	1.1
161.02394	1.3
161.04463	1.3
161.05945	0.9
163.03879	2.1
165.01782	1.0
165.05504	1.9
167.03348	0.9
172.05190	1.4
173.05934	1.8
175.03931	4.2
176.04709	7.4
177.01828	1.0
177.05421	1.7
179.03342	1.4
187.03964	1.4
187.11182	0.8
189.05479	2.4
190.02574	1.6
190.06242	1.8
191.03308	1.1
191.07071	7.1
193.04980	1.7
205.04962	1.7
209.08183	1.1
221.04443	1.5
223.05890	0.8
233.14178	0.8
267.06696	1.0
279.06528	2.8
280.07202	1.6
280.53979	0.8
281.06677	100.0
282.06992	7.0
287.05502	0.8
294.08994	1.5
312.09894	2.8
313.10721	5.7
325.10730	1.8
327.12415	9.6
342.11142	1.0
343.11874	20.5
344.12158	2.5
357.13412	4.6
358.13629	0.9
375.27454	4.1
477.67819	0.9
560.62549	0.9
603.54132	0.9
609.20044	4.1
621.19403	1.5
639.20740	42.5
639.30713	2.0
640.21075	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	639.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71147	1.7
57.03310	2.1
69.95871	8.4
74.05985	2.1
81.03326	4.1
83.01270	3.3
95.04890	4.9
97.02855	9.3
98.20509	2.1
108.83488	2.0
109.02845	25.0
121.02818	2.9
123.04417	20.0
125.02345	21.7
135.04472	3.0
137.02365	14.7
139.03876	4.6
144.46980	1.7
145.02824	1.9
146.03627	2.6
149.02347	4.1
150.03163	2.2
151.03926	9.8
159.04315	2.7
161.06029	6.0
162.93962	2.0
164.01089	3.0
165.01770	3.1
167.03285	2.7
175.07498	2.2
179.03418	6.1
187.03931	4.4
188.04720	5.2
203.07065	14.4
205.04982	8.5
221.08138	2.2
245.08148	19.7
289.07181	100.0
290.07526	9.1
477.10120	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.2
59.01248	35.9
61.98707	32.2
70.03654	9.1
71.01250	31.9
72.99203	4.8
73.02821	9.3
81.03333	4.0
83.01254	5.9
83.04897	10.9
85.02823	9.1
85.06506	3.0
87.00758	12.1
89.02316	18.8
93.03335	17.2
95.01291	3.9
95.04935	2.6
97.06474	3.7
101.02330	22.1
109.06465	3.7
111.00798	2.4
111.04308	2.2
111.08052	8.2
113.02328	14.5
119.03381	5.2
119.04961	2.7
123.08044	3.0
125.02356	10.2
125.09608	14.0
133.04901	2.5
135.08055	3.8
137.02344	30.1
139.03841	3.7
145.04959	5.1
156.72691	2.1
159.31342	1.9
161.04460	6.3
165.09035	2.5
166.75096	2.0
171.10187	90.2
172.10483	4.3
185.11758	2.5
191.05574	2.7
205.16040	5.2
209.11768	31.4
210.12227	2.4
211.13380	25.8
213.12798	2.4
215.14447	11.9
221.15346	4.0
231.13914	5.1
233.15427	35.4
235.08195	10.1
249.14963	43.7
250.15157	2.8
251.16534	3.0
253.09300	6.7
331.26273	3.0
341.24765	7.5
343.28653	5.0
355.24991	10.6
357.26358	2.6
359.26013	2.5
367.22858	5.3
373.25989	14.5
375.25330	7.1
385.23859	32.4
386.24078	3.9
403.24857	58.0
403.29910	4.4
404.25192	9.7
405.90286	2.9
421.26053	15.3
422.26044	2.7
470.51392	2.4
477.35880	3.3
478.06711	2.6
485.23901	3.6
611.34094	4.5
621.32776	100.0
622.33301	19.5
639.33673	68.2
640.34174	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.2
57.03325	4.7
58.00475	0.8
59.01256	62.5
61.98707	22.6
63.02266	1.4
65.00214	2.4
69.14487	0.6
70.87923	1.6
71.01257	19.6
72.99198	1.6
73.02826	5.3
75.00757	3.5
79.05444	1.2
83.01259	5.5
83.04926	2.8
85.02816	8.6
87.00754	10.8
88.98711	2.2
89.02340	4.5
93.03362	3.0
95.01279	1.6
95.04931	1.3
97.02826	0.8
97.06465	3.5
99.00774	3.0
100.70251	0.6
101.02322	10.5
102.18818	0.6
107.01270	5.7
107.04915	9.5
108.02037	0.9
109.02859	2.3
113.02341	8.7
116.92762	1.8
117.01865	1.7
117.03333	4.6
119.03412	1.6
119.04939	3.2
119.91309	0.7
120.05691	4.0
121.02852	6.3
122.03656	1.4
123.03664	0.8
123.04395	3.6
125.02357	6.8
132.02094	2.3
133.02904	1.5
133.10132	1.1
134.03651	6.1
135.04451	5.0
136.01585	1.1
137.02339	4.6
141.05544	1.7
145.02863	12.0
146.03224	1.0
146.07388	1.0
147.08118	1.1
149.02353	2.0
149.06053	1.5
150.03140	1.7
151.00285	22.9
151.03903	3.6
152.00677	1.0
152.04683	2.7
153.05476	1.4
157.06549	0.9
157.10184	0.7
159.08186	1.1
160.01558	9.3
161.02354	3.3
161.04504	4.4
161.05975	1.4
161.09644	22.1
161.13272	10.0
162.10135	1.0
163.03917	5.4
163.11234	2.2
164.01042	0.8
165.01904	3.4
165.05563	1.3
169.01366	1.3
173.06177	1.1
174.06824	0.8
175.00435	0.9
175.03925	10.6
177.01740	0.8
177.05522	1.7
178.99821	11.0
179.03398	1.7
179.10774	2.5
187.11218	29.2
188.11560	2.0
189.09158	17.6
189.10799	1.3
190.02618	1.6
190.09540	1.7
191.03487	0.9
193.05048	7.4
203.10704	1.7
205.04993	3.9
205.12280	13.4
206.12553	0.8
206.67328	0.8
207.06642	1.7
207.10170	4.5
209.11908	1.0
223.06116	0.9
231.10255	0.9
245.04523	0.8
249.11313	9.6
255.02725	0.8
259.06122	2.1
265.07239	2.8
267.12350	7.4
269.04550	10.6
271.73157	0.9
273.04184	1.2
281.06711	1.0
281.12369	0.9
287.05688	1.5
289.07278	0.9
297.11972	5.2
300.02835	1.8
301.03543	51.3
302.03821	5.1
307.08273	1.3
313.23996	1.7
315.05106	1.4
315.15900	0.9
325.09128	0.9
337.09286	1.3
341.27048	1.5
359.28033	19.9
359.32144	1.4
360.28485	1.9
367.10547	2.7
375.27676	2.9
389.21902	3.1
423.18213	1.2
425.47250	0.7
441.19489	3.2
452.07468	0.7
463.25082	0.8
477.19095	4.3
478.19629	0.9
495.26303	1.5
577.13904	5.2
579.31281	1.1
601.22644	0.9
603.24945	3.7
604.25500	1.2
610.04486	0.8
621.32892	1.8
639.14142	4.9
639.34302	100.0
640.14789	1.9
640.34607	22.0
647.88422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.3
57.03322	4.6
59.01252	42.0
60.01583	0.9
61.98703	22.4
62.60319	0.6
65.00195	2.9
71.01250	16.1
71.54856	0.9
72.99162	1.8
73.02818	5.2
75.00752	2.2
78.95798	0.8
79.05431	1.0
83.01243	4.7
83.04906	2.3
85.02821	8.8
87.00761	7.7
88.98671	1.8
89.02319	5.3
93.03335	2.2
95.01258	2.1
95.04919	1.1
97.02800	0.8
97.06472	3.0
99.00784	2.6
101.02327	10.4
107.01266	3.3
107.04904	8.0
109.02848	2.0
113.02328	6.2
116.92749	3.4
117.03361	7.5
119.03422	2.1
119.04920	11.1
120.05684	3.2
121.02873	1.7
122.03645	1.2
123.04427	4.4
125.02339	4.9
125.61285	0.7
131.03400	1.0
133.10179	1.3
134.03641	1.1
135.04416	4.0
136.05241	1.2
137.02362	2.8
137.05969	1.2
139.52061	0.7
143.08572	1.3
145.02856	19.4
146.03221	1.6
149.02385	2.2
149.05968	1.4
150.03159	0.8
151.00269	10.1
151.03915	2.1
152.04675	3.4
153.05496	2.0
159.02925	1.1
159.08069	1.0
160.01561	3.0
161.02350	1.6
161.04489	4.9
161.08279	0.9
161.09641	19.2
161.11021	1.0
161.13258	9.5
162.10001	1.7
163.03922	6.5
163.11252	1.5
164.04457	1.4
165.01833	2.3
165.05424	0.9
167.03542	0.8
172.08965	1.0
175.00316	2.0
175.03911	4.4
177.01884	2.0
179.05565	1.1
179.10732	1.3
185.09669	0.7
187.11197	26.0
188.11566	2.2
189.09134	14.7
190.02591	3.8
190.09497	1.4
191.03447	0.9
191.05591	0.8
193.05016	2.0
195.06581	0.9
203.10712	1.5
205.05029	3.3
205.12289	10.4
207.06503	1.8
207.10196	4.0
209.11852	2.1
211.13374	1.0
223.06096	1.0
227.07147	1.8
227.16455	0.9
241.05080	0.9
249.11319	9.5
250.11592	1.2
267.12448	5.3
271.06110	22.2
272.06549	1.5
297.11945	3.8
298.12335	1.1
340.03973	0.8
357.26569	2.5
358.26932	2.1
359.27869	10.5
360.28467	1.7
367.10477	2.9
389.21777	2.2
390.22281	0.8
397.74335	0.8
402.73868	0.7
441.19247	2.1
477.19394	3.3
495.26340	1.7
507.34988	1.2
579.34027	1.8
621.33362	1.7
639.34125	100.0
640.34540	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	639.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61631	1.8
59.01252	100.0
61.98698	6.4
64.21906	2.2
78.95753	2.3
138.75960	1.8
160.03978	2.8
173.94229	1.9
194.93825	3.8
195.13814	3.4
209.11766	49.4
210.12195	3.8
213.72192	2.3
227.12833	3.1
277.21646	2.8
294.68240	2.6
295.22754	40.3
296.23145	2.2
297.84409	2.3
302.03064	2.2
343.00998	6.7
607.25726	4.5
609.42993	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	640.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48388	0.3
59.01246	1.7
61.98705	100.0
71.01257	1.3
73.02820	0.4
75.00775	0.3
77.91095	0.2
83.01263	0.3
83.28325	0.3
85.02838	0.6
87.00770	0.5
88.98676	0.3
89.02343	0.6
93.03362	0.5
101.02343	1.0
107.01260	0.4
108.02121	0.3
109.02815	0.4
113.02364	0.6
119.04943	0.9
119.76044	0.3
121.02880	0.5
123.04446	1.2
125.02367	1.0
135.04417	0.3
136.05234	2.1
137.02365	0.8
137.05997	1.6
139.03938	0.8
142.05058	0.3
143.05006	0.3
145.02892	1.1
149.02393	0.4
151.03876	0.3
152.00981	0.3
153.05524	0.8
159.04521	0.3
161.02373	0.7
161.04468	0.7
163.00375	0.5
163.03938	0.7
165.01898	0.5
165.05478	0.3
167.03448	0.4
187.03940	0.8
191.05574	0.4
193.05034	0.3
196.95795	0.3
205.12471	0.3
209.11816	0.8
210.12029	0.3
211.04138	0.3
211.13318	0.7
213.05568	0.6
213.52013	0.3
227.03517	1.0
229.05052	2.3
239.03790	0.5
241.05124	0.3
255.02982	2.2
257.04425	1.3
283.02423	0.4
284.03293	2.2
285.04044	23.5
286.04352	1.9
311.07861	0.5
341.27191	0.3
357.26373	0.6
359.28027	2.6
413.09109	0.3
419.27365	0.3
477.32913	0.4
479.20984	0.8
577.13525	8.7
578.13995	1.5
639.37592	1.6
640.22620	0.5
640.36969	1.3
641.26495	0.9
641.35919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.3
59.01253	1.6
61.98704	100.0
64.98509	0.1
71.01258	1.2
73.02839	0.3
80.96404	0.2
83.01267	0.2
85.02842	0.5
87.00784	0.2
88.98690	0.2
89.02293	0.4
93.03356	0.4
93.85916	0.1
96.95881	0.2
98.19780	0.4
101.02309	0.7
103.42725	0.2
109.02850	0.2
113.02353	0.5
119.03377	0.2
119.04983	0.2
121.02875	0.5
123.04434	0.6
124.01558	0.2
125.02328	0.7
135.04407	0.2
136.07999	0.2
137.02338	0.9
137.05978	3.2
139.03928	0.7
145.02910	0.3
150.03255	0.2
150.06813	0.2
151.00374	0.2
151.03912	0.2
153.05598	0.3
161.04500	0.7
163.00334	0.2
165.01828	0.3
175.03889	0.2
187.04080	0.2
191.05562	0.3
193.05028	0.2
196.39455	0.2
205.05244	0.2
209.11870	0.3
210.12073	0.2
211.13347	0.2
227.03442	0.4
229.05130	0.5
255.03067	0.6
256.75244	0.2
257.04636	0.3
284.03363	0.6
285.04047	5.6
285.07156	0.3
286.04507	0.7
313.24069	0.2
341.27036	0.3
355.24640	0.2
357.26636	0.5
359.28030	4.7
359.32135	0.3
373.25897	1.0
374.86710	0.1
375.27704	0.2
405.86298	0.2
479.20673	0.2
577.13409	1.7
578.14270	0.3
580.31177	0.2
640.34601	0.2
641.26355	0.4
641.39838	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.6
61.98705	100.0
62.52193	0.5
63.84268	0.4
71.53841	0.4
82.79235	0.4
86.18525	0.4
125.02361	1.7
161.02422	0.8
209.93666	0.4
277.21637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16916	6.7
59.01263	12.5
61.98700	22.2
65.00191	11.9
69.03341	6.7
70.67078	6.2
71.01266	17.2
71.54701	8.6
72.99178	8.6
83.01265	18.1
85.02832	20.6
87.00735	8.2
88.98635	8.8
89.02346	11.1
92.92538	6.1
93.03349	21.4
94.43472	6.9
95.01275	12.0
96.99264	8.5
99.00788	9.1
102.78419	6.5
107.01260	18.9
107.04809	7.6
109.02847	18.7
111.00755	28.4
115.00273	8.8
117.03397	7.4
119.04931	12.4
121.02843	16.1
123.00778	25.0
123.07333	8.5
124.01599	10.1
124.98711	11.3
125.02322	19.7
127.00245	23.6
133.02919	13.3
135.00711	6.7
136.98837	11.8
137.02325	21.3
139.00269	28.8
139.03951	9.8
140.00919	6.7
145.02888	8.2
147.04352	13.4
149.02364	11.4
151.00269	53.5
151.03915	15.6
152.01057	11.5
154.99767	74.3
156.00217	8.4
161.02371	16.8
163.00331	14.1
164.98257	7.2
165.01842	15.1
165.99010	15.5
166.02626	20.2
166.99728	37.5
168.00455	8.7
171.04465	10.1
177.01819	23.1
177.98947	9.8
178.99812	37.6
180.97643	7.0
181.01349	28.1
181.04935	34.3
187.03941	12.4
191.05537	89.6
193.01379	14.0
194.99292	19.9
199.03900	19.4
203.03500	12.4
205.01288	9.5
209.00893	11.0
215.03450	20.4
217.01318	9.6
219.02997	11.9
227.03525	17.9
229.01398	10.4
231.02771	10.7
233.04601	7.8
243.02988	31.5
254.01985	8.4
255.02950	30.0
257.04364	8.0
258.01660	11.8
259.02496	20.7
271.02484	58.5
283.02319	9.3
284.03275	13.3
285.04025	49.7
286.01251	13.2
287.02002	55.7
288.02484	11.2
289.07040	8.0
297.03986	16.4
299.01910	20.9
300.02612	10.6
301.03455	29.4
315.01468	100.0
315.04990	15.6
316.02151	12.9
317.03006	14.3
323.59146	7.9
332.01721	31.1
333.02301	17.1
371.14709	7.8
389.16031	29.4
419.17062	34.9
447.09567	13.0
479.08527	8.6
493.46420	8.8
503.15054	7.6
597.14941	8.0
623.14056	16.2
641.14136	93.2
642.13501	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	641.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59027	0.8
59.01250	2.6
63.02261	2.9
65.00191	6.6
68.99705	1.4
69.03323	0.8
71.01257	1.8
73.02825	1.4
79.01758	1.4
79.74463	0.8
83.01254	5.0
85.02823	1.4
86.11833	0.8
87.00757	1.3
91.01776	1.1
93.03353	1.9
95.01270	4.6
96.02085	0.9
96.99201	2.1
97.91727	0.8
99.00751	1.8
106.00462	1.8
107.01282	9.0
108.02066	1.2
109.02828	9.4
109.99982	2.0
111.00775	9.9
117.03394	1.1
119.01272	1.0
119.04906	1.1
120.99186	1.5
121.02814	2.1
123.00782	8.8
124.01579	2.1
124.98663	3.3
125.02364	7.4
133.02855	4.5
135.00757	1.8
135.04340	1.2
136.98689	1.7
137.02318	3.0
139.00273	7.8
139.03961	1.4
141.01834	2.6
143.04910	2.5
145.02846	2.5
147.00757	1.2
147.04449	3.2
148.01570	3.2
148.98665	1.4
149.02341	4.1
149.99492	5.7
150.03169	1.0
150.99123	1.7
151.00273	24.5
151.01494	1.2
152.01085	4.1
153.01868	4.5
154.99762	2.4
155.04912	0.9
157.02861	1.8
159.04469	5.1
160.04807	0.9
161.02354	6.8
161.05989	1.3
162.03024	0.8
163.00255	3.9
163.03844	1.8
164.00945	1.4
164.98213	3.1
165.01804	3.0
165.98930	1.9
166.99750	3.4
168.00555	4.6
169.01288	4.2
169.02715	1.6
171.04443	6.2
172.05043	0.9
173.02345	2.5
174.03091	1.8
175.00325	1.1
175.03889	6.7
176.01025	1.8
177.01845	4.3
177.05490	2.2
177.98964	8.9
178.99788	29.7
179.03290	1.9
180.00284	1.9
181.01288	1.5
181.98474	2.2
183.04422	1.3
185.02339	1.9
186.03073	2.1
187.03923	9.2
188.04437	1.2
189.01906	4.7
189.05597	0.9
190.02589	2.5
190.99817	1.7
191.03439	2.7
191.05519	9.7
192.00539	2.0
193.01295	3.6
194.99280	2.6
197.02432	1.1
199.03937	5.8
201.01900	3.7
201.05409	1.1
201.17326	1.0
202.02676	1.7
203.03464	11.9
204.04074	2.8
204.97688	2.8
205.01367	2.2
205.05080	1.6
206.02116	1.7
206.99269	3.3
207.02948	3.2
207.99960	2.0
209.00842	5.6
213.01811	2.4
214.02618	2.4
215.03427	10.2
217.01382	3.3
217.04974	2.3
218.02129	1.3
219.02946	3.9
222.98747	3.3
226.02747	1.1
227.03378	3.2
229.01378	3.9
230.02126	2.7
231.02979	9.8
232.03717	6.5
233.00865	1.8
233.04486	9.1
241.01419	1.8
242.02118	2.8
243.02931	14.3
244.03558	1.9
245.00844	3.4
245.04471	3.6
246.01692	1.1
247.02475	3.2
255.02991	3.2
258.01669	4.1
259.02512	9.7
260.03000	3.2
261.00558	1.0
261.03891	3.5
269.00922	2.9
270.01520	2.4
271.02460	31.8
272.02936	4.0
273.03891	1.4
275.01828	1.1
286.01099	4.1
287.01971	44.6
287.05298	1.6
288.02542	10.9
289.03604	7.4
297.00397	10.8
297.04083	2.4
298.00909	1.7
299.01971	12.7
300.02747	7.4
301.03433	7.8
303.01501	1.6
304.02087	1.6
305.02756	0.9
314.00577	3.7
315.01443	100.0
316.01877	11.7
317.03058	3.4
331.00815	1.2
332.01691	10.2
333.02435	6.6
449.08670	1.6
463.08923	1.8
479.08197	1.3
489.12421	1.5
501.12704	3.7
505.11984	4.5
529.11835	1.8
541.15802	4.8
569.15387	2.8
579.13525	1.1
595.13007	1.8
597.14709	5.1
613.14355	2.2
623.12469	9.0
624.13177	1.6
641.13605	39.0
642.14117	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	641.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86470	0.2
57.03323	0.3
59.01252	4.8
61.29807	0.2
61.98711	0.6
69.03328	0.6
69.96812	1.0
71.01256	2.1
73.02819	0.4
83.01251	0.3
85.02807	0.7
87.00757	0.5
89.02302	1.7
95.01218	0.3
97.06446	0.3
99.00790	0.3
101.02325	2.1
105.95171	0.3
113.02298	1.1
114.25205	0.2
119.03471	0.6
125.02359	0.4
127.07505	0.3
161.02405	0.3
161.04472	0.9
167.10712	0.5
167.14436	0.5
171.10182	0.8
183.13834	6.5
184.14192	0.4
193.12274	1.9
211.13342	100.0
212.13672	6.0
212.15605	0.4
235.08286	1.7
253.09238	4.5
327.21878	1.7
387.25534	0.7
429.21286	0.8
447.22348	5.1
448.22659	0.8
499.44525	0.3
623.34204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03629	0.2
54.29504	0.2
57.03326	0.3
58.00507	0.2
59.01253	3.0
66.91479	0.2
69.03332	0.3
69.98888	0.6
71.01256	2.2
72.99179	0.1
73.02819	0.6
83.01263	0.4
83.04876	0.3
85.02812	0.6
87.00748	0.4
89.02312	1.5
97.02794	0.2
101.02326	1.5
113.02306	0.9
119.03386	0.4
123.04407	0.3
125.02322	1.0
136.07541	0.3
137.02324	0.4
151.03899	0.2
155.10669	0.3
161.04474	0.6
163.03923	0.2
165.05540	0.2
165.12793	0.3
167.14294	0.8
179.05585	0.2
183.13834	6.7
184.14201	0.5
193.12334	2.0
199.13319	0.3
211.13342	100.0
212.11673	0.3
212.13681	5.8
223.13545	0.3
235.08231	1.7
253.09273	4.3
254.09589	0.2
316.64090	0.2
354.86484	0.2
387.25400	0.7
405.26349	0.4
429.21201	0.5
447.22388	5.3
448.22809	0.7
479.37479	0.3
590.85852	0.2
623.34479	0.8
624.34277	0.3
641.35858	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01727	0.4
57.03311	0.8
59.01250	3.8
61.98705	8.8
63.02266	0.7
63.72771	0.3
68.81395	0.3
71.01253	8.1
72.99243	0.3
73.02813	1.8
80.96387	0.4
83.01265	0.6
85.02821	2.4
85.59332	0.3
88.98685	0.4
89.02323	1.6
93.03312	0.4
95.01267	0.7
96.95870	0.7
97.02843	1.0
97.06467	0.4
99.00761	0.8
101.02334	4.1
105.03549	0.3
109.02841	1.2
111.00741	0.7
113.02342	4.6
119.03466	0.5
121.02823	0.4
122.03709	0.5
123.04401	1.5
124.01558	51.3
125.02313	1.8
136.05182	1.3
137.02338	1.4
139.03914	75.1
140.04277	2.5
141.12724	0.4
143.03404	0.9
149.02341	0.5
150.03165	0.5
150.06746	0.5
151.03937	1.0
159.02922	0.6
161.02370	0.7
161.04507	4.7
165.01878	0.8
165.09116	0.9
167.03407	0.7
185.11748	2.2
190.02600	0.3
199.13342	0.4
205.05051	0.5
209.11806	0.6
211.13301	2.3
227.07037	0.6
227.16508	1.2
229.47865	0.3
249.05357	0.4
249.76259	0.3
273.07751	0.4
289.07202	0.4
297.24380	1.3
301.09360	1.8
309.24341	1.6
327.25388	9.8
327.29257	0.6
328.25732	1.1
339.25403	9.5
340.25760	1.0
355.24811	0.5
357.26459	100.0
358.26788	12.4
371.28110	0.4
375.27521	0.7
381.26617	0.4
399.27557	2.0
423.27191	0.5
453.28583	1.9
461.19730	0.6
471.15518	0.5
479.20383	0.8
479.33655	1.0
487.13538	0.4
501.30740	0.6
641.25732	1.4
641.36993	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	642.386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84985	0.2
59.01270	0.7
61.98705	100.0
62.73827	0.2
77.58912	0.2
78.95770	0.6
84.38824	0.2
98.19778	0.6
111.02068	0.2
175.83078	0.2
260.90176	0.3
287.02609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21661	3.3
56.90150	3.0
57.03333	4.1
59.01247	9.2
61.98702	14.7
63.02267	15.4
65.00195	20.6
67.01762	4.3
71.01253	8.5
71.54431	4.2
73.02799	4.3
75.37576	3.3
76.42405	3.1
83.01256	21.7
85.02830	8.9
87.00753	7.3
93.03323	20.5
95.01266	14.4
99.00760	12.0
107.01269	34.5
109.02821	17.7
111.00762	26.3
117.03361	13.3
119.04885	8.1
121.02827	13.6
123.00772	16.2
123.04395	6.7
124.01563	8.8
125.02351	24.6
132.02165	3.3
135.00830	7.7
135.04465	5.3
136.98752	3.2
137.02348	15.6
139.00278	27.3
141.01830	13.6
143.04900	7.9
145.02814	4.0
147.04420	4.8
149.02327	6.6
151.00270	90.0
151.03899	3.7
152.01060	23.0
153.01848	16.2
154.99780	8.5
157.01379	11.8
159.04431	9.9
161.02344	12.6
163.00278	14.0
163.03964	5.8
164.00961	5.0
165.01831	11.5
165.05580	4.1
166.99727	12.5
168.00603	3.3
169.01326	37.6
171.04448	8.0
175.03925	7.5
177.01904	9.5
177.99033	3.8
178.99794	89.3
180.00078	4.7
181.01381	6.4
181.40578	3.6
182.99265	4.3
183.04486	7.3
187.03874	8.4
189.01918	7.4
190.99678	3.9
191.03452	6.6
192.00526	5.9
193.01338	13.6
194.99316	8.5
197.00803	11.0
197.02483	4.0
199.03947	5.9
199.34050	3.1
201.01828	6.8
201.05537	7.8
203.03438	10.7
205.01428	6.0
205.04991	7.0
206.99399	16.9
208.00011	7.2
209.00818	18.0
211.03944	5.9
215.03505	9.4
216.04176	5.5
217.01221	4.1
217.04988	5.9
219.02933	4.5
227.03513	24.0
229.04973	10.6
231.02930	23.8
233.04602	5.0
243.03003	25.2
244.03679	17.1
245.00906	4.7
245.04575	18.3
247.02498	4.7
255.02979	61.5
256.03650	14.3
257.04388	7.5
259.02423	13.2
261.04016	4.2
269.04742	4.4
271.02463	32.4
272.03061	8.7
273.04114	26.1
274.04303	3.8
277.03058	3.2
283.02460	10.7
284.03232	16.0
285.04004	7.8
287.01852	4.7
289.03479	25.6
299.01938	32.8
300.02640	8.1
301.03320	5.7
315.01434	5.6
316.02094	19.5
317.02997	100.0
318.03433	11.6
319.04517	7.8
335.04306	6.1
351.01984	4.1
443.19458	3.5
481.60208	4.4
517.12097	16.7
523.13141	19.3
579.13220	4.5
609.14661	5.6
625.14526	23.6
626.15094	5.4
643.14972	61.9
643.25836	5.8
644.16046	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	643.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.2
55.92065	0.6
57.03336	1.3
59.01254	4.3
61.98706	24.9
68.99716	0.7
71.01256	13.0
71.01608	0.9
73.02811	3.0
75.00784	1.2
83.01287	2.6
85.02821	5.3
87.00739	1.0
89.02349	1.5
93.03340	36.1
94.03721	0.7
95.01289	1.3
96.99198	1.1
97.02886	1.2
99.00765	0.9
101.02332	9.1
107.04921	1.4
108.02044	3.2
109.02851	5.9
111.00840	0.6
113.02338	4.0
119.04928	1.3
121.02847	12.5
122.03650	10.4
123.04433	4.7
124.01575	2.2
125.02328	3.8
134.03676	1.7
135.04428	4.5
136.01543	3.1
137.02348	73.4
137.95183	0.6
138.02737	2.7
145.02879	0.7
147.04442	6.3
149.02357	1.9
149.06033	0.8
150.03186	0.8
151.00290	0.7
151.03929	2.2
152.01085	1.3
153.01845	1.4
153.05484	1.5
154.02609	2.4
159.03084	0.6
161.02310	1.2
161.04575	0.9
161.05998	2.3
163.03912	1.4
164.01221	0.6
165.01836	3.8
165.05496	17.2
165.06856	1.1
168.04257	1.6
175.03903	1.1
176.01067	0.7
177.01915	1.8
178.99948	0.8
179.03432	2.4
179.07092	6.5
181.04951	0.9
191.03409	1.3
192.04288	1.0
203.07108	1.3
205.05104	0.9
209.08080	0.9
221.04539	0.9
223.05975	1.5
247.06186	0.7
255.15974	0.9
275.16507	4.3
281.06677	100.0
282.07001	7.7
298.11929	0.7
315.12314	2.3
319.15506	2.9
329.17685	1.0
346.14218	4.0
347.14941	10.7
348.15250	1.2
361.16592	25.3
362.16965	4.1
376.27658	0.7
481.21954	10.3
482.22256	1.4
643.23950	44.4
644.24133	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	643.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50755	0.8
55.01738	0.9
57.03329	1.6
58.00445	0.7
59.01258	9.8
61.98706	9.2
64.60542	0.7
65.57168	0.8
67.77951	0.8
69.03323	0.8
69.49265	5.0
71.01250	6.7
72.06467	0.9
73.02847	1.5
77.62268	0.7
83.01260	4.4
85.02827	1.9
89.02313	4.0
93.03317	1.7
95.01260	1.3
95.04901	1.3
97.02820	4.1
98.19862	1.8
101.02339	4.0
108.02061	2.1
109.02844	9.1
113.02320	2.7
121.02866	4.4
122.03633	9.7
123.04424	17.8
124.01533	3.2
125.02331	16.9
128.70030	0.8
131.04832	0.9
135.04459	1.6
136.01526	1.8
137.02354	27.9
138.03094	1.8
139.03917	2.5
140.21532	0.8
146.03712	1.5
149.02354	4.6
150.03110	2.5
150.06728	1.1
151.03909	5.2
154.02646	2.3
159.04460	1.9
161.02318	1.3
161.04721	1.0
161.05957	4.7
162.03218	0.9
163.03886	1.3
164.01086	5.2
165.01852	40.5
166.02197	1.8
173.05995	1.0
175.03981	2.0
177.05507	2.4
179.03497	3.7
187.03923	2.9
188.04683	1.1
201.05548	1.5
203.03548	0.9
203.07082	6.1
205.05049	7.6
206.05318	1.0
217.01270	0.9
231.03006	1.5
244.07335	1.0
247.06186	1.5
288.06427	2.7
289.07010	1.2
329.17596	1.3
357.26483	2.4
373.26028	2.7
375.27542	16.7
376.27924	1.5
394.35803	0.8
395.22302	1.1
419.22260	3.8
463.20877	1.2
474.12857	1.0
481.22272	13.0
482.22571	2.1
491.23065	3.9
533.24164	0.9
599.28735	1.1
643.27606	100.0
644.27972	21.1
669.43262	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	10.3
61.98706	0.6
64.84205	0.4
67.01759	0.5
68.99674	0.5
69.03320	0.8
69.39565	1.8
69.39966	1.2
71.01254	5.9
72.99155	0.6
80.53046	0.4
83.01258	4.8
83.82123	0.4
85.02825	1.1
89.02321	4.3
93.03331	2.5
95.01252	1.5
95.04922	0.5
97.02828	5.1
101.02324	3.8
106.10912	0.4
108.02055	1.9
109.02842	8.5
113.02318	1.9
117.03362	0.5
119.03397	0.8
119.75204	0.5
121.02853	5.6
122.03633	11.8
123.04432	8.0
124.01601	2.4
125.02343	2.5
131.87901	0.5
135.04372	2.3
135.81557	0.5
136.01538	1.2
137.02347	30.9
138.03056	2.0
139.03865	2.0
145.02931	0.6
146.03615	1.7
149.02327	4.1
149.06032	0.5
149.79814	0.4
150.03078	2.0
151.03891	3.4
154.02611	1.8
159.04405	1.9
160.05252	0.7
161.02332	1.8
161.06027	4.0
162.03117	1.4
163.00333	0.5
163.03912	1.0
164.01059	5.8
165.01846	40.7
165.05467	1.5
166.02243	1.9
173.05870	0.5
175.03900	1.2
175.07599	0.6
177.01883	0.6
177.05466	1.9
179.03452	3.7
187.03899	2.0
188.04692	1.4
201.05493	1.9
202.06274	0.7
203.07060	6.4
204.07376	0.7
205.05006	9.7
206.05302	0.9
223.05942	0.6
229.05096	0.8
231.02986	1.0
244.07359	1.3
247.06129	2.0
248.06421	0.5
281.06757	2.7
288.06415	2.5
289.07083	0.5
293.71771	0.5
395.22440	0.6
419.22348	4.1
420.22632	0.6
463.21283	0.6
479.22876	1.1
481.22437	2.1
491.22867	2.5
519.22705	0.9
533.24194	0.8
599.28418	3.2
600.29114	0.9
643.27594	100.0
644.27936	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47956	0.6
59.01251	10.1
61.98685	0.5
64.81413	0.6
69.03354	0.6
71.01264	4.6
71.31185	0.9
72.99195	0.5
77.03858	0.5
83.01278	2.8
85.02853	1.0
85.55863	0.5
89.02324	3.9
93.03324	2.2
95.01268	1.2
97.02847	3.3
101.02344	3.1
108.02035	1.3
109.02844	6.8
111.00772	0.7
113.02328	1.7
119.03389	0.8
121.02856	3.7
122.02832	0.6
122.03649	7.8
123.00789	0.6
123.04440	5.8
124.01524	2.8
125.02325	1.9
127.80003	0.5
135.04399	2.2
136.01563	0.8
137.02353	26.4
138.03110	1.5
139.03902	2.2
146.03613	1.6
149.02351	3.8
150.03094	1.7
151.03947	2.7
154.02574	0.8
156.47833	0.6
159.04454	2.0
161.02357	1.7
161.06004	4.3
162.03123	1.0
163.00261	0.6
163.03880	1.4
164.01077	4.6
165.01860	34.9
165.05481	1.3
166.02222	1.8
175.03981	1.1
177.01851	0.8
177.05482	2.1
179.03468	4.3
187.03940	1.8
188.04672	1.6
201.05511	1.3
202.06192	0.7
203.07082	7.1
205.05029	9.7
231.02921	0.9
244.07368	1.3
247.06125	1.7
288.06369	2.2
317.10129	0.7
407.08093	0.6
419.22522	3.6
463.21252	0.8
479.23105	1.1
481.22314	3.2
491.22717	1.6
492.23514	0.7
547.84235	0.6
599.28705	2.0
643.27594	100.0
644.27924	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	643.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96355	0.7
57.03319	0.9
58.45121	0.7
58.89428	0.7
59.00987	1.1
59.01251	12.3
61.98693	2.1
69.26589	4.6
69.26990	1.6
71.01254	6.1
83.01250	5.0
85.02785	1.2
89.02330	4.4
92.50011	1.0
93.03330	2.6
95.01251	1.2
95.04910	0.8
97.02819	5.6
98.19839	1.7
101.02297	2.4
108.02053	2.3
109.02231	0.8
109.02844	8.8
113.02316	0.8
119.03403	0.9
121.02847	4.9
122.03632	11.0
123.04440	7.5
124.01535	3.6
125.02345	7.5
135.04378	2.2
136.01503	0.8
137.02342	29.6
138.03059	2.5
139.03877	2.3
142.85818	0.7
143.04903	0.7
145.02849	1.2
146.03662	1.4
147.04453	0.7
149.02347	3.8
149.05942	1.3
150.03110	1.3
151.03903	4.2
154.02591	1.7
159.04385	2.2
161.02310	1.7
161.06006	4.5
162.03096	0.9
163.03876	1.6
164.01056	5.2
165.01851	39.9
165.05464	1.9
166.02263	2.1
175.03917	1.9
177.05492	2.7
179.03432	4.4
187.03970	1.8
188.04695	1.3
201.05527	1.5
202.06311	1.1
203.07101	8.3
204.04207	0.9
205.04993	12.1
206.05318	1.4
229.04961	1.3
231.02994	1.1
244.07437	1.8
247.06023	0.8
264.45654	0.9
282.70013	0.7
288.06461	1.8
289.07077	1.0
373.25583	1.0
395.22360	1.1
419.21964	3.7
420.22208	0.9
463.21262	1.3
479.23004	1.1
481.22363	5.9
482.23010	0.9
491.22885	3.8
492.23111	1.5
533.24365	0.8
599.28479	1.8
643.27570	100.0
644.27942	25.4
644.38788	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.3
57.03340	0.4
58.00485	0.3
59.01251	5.3
61.98712	2.2
69.03345	0.7
71.01255	3.9
71.04921	0.3
73.02823	0.6
80.02576	0.9
81.03349	0.9
83.01295	0.6
83.04900	4.9
83.05348	0.3
84.02061	1.0
85.02853	1.1
87.00776	0.7
89.02325	2.4
93.03373	0.6
95.01287	0.4
95.04917	0.3
97.02853	0.4
97.06483	0.3
101.02330	2.8
109.02834	0.6
113.02325	1.8
119.03376	0.8
123.04443	0.6
125.02342	2.0
125.05972	0.7
127.03922	0.7
131.03496	0.4
135.08084	0.6
137.02361	1.1
141.09044	0.3
145.05000	0.3
147.11703	0.3
151.03947	0.8
151.11263	0.3
153.09088	0.6
153.12790	1.0
161.02359	1.0
161.04489	1.2
163.11195	3.2
165.01816	0.3
165.12816	1.9
167.07014	0.3
169.12265	5.6
171.10190	1.5
179.05461	0.4
179.10736	0.7
181.12265	0.6
191.10718	1.1
197.11774	100.0
198.12112	5.3
199.13374	0.3
209.11777	97.7
210.12106	7.2
217.01497	0.3
223.13268	0.3
227.12839	12.8
228.13199	0.9
235.08217	4.0
235.13393	1.1
253.09258	10.2
253.11908	0.6
289.07083	0.7
359.28018	0.8
371.22189	0.4
389.23361	0.5
433.20752	3.2
445.20901	1.5
607.31177	1.1
625.32104	0.8
643.36993	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.4
59.01260	2.1
61.98705	6.7
63.02259	0.7
69.03340	0.5
70.87670	0.5
71.01258	6.5
73.02813	1.0
83.01277	0.9
85.02821	1.4
89.02329	1.4
95.01247	0.6
95.72235	0.2
96.95914	0.9
97.02831	0.9
99.00751	0.7
101.02328	3.4
111.00761	0.3
113.02340	3.7
113.09664	0.3
119.03436	0.5
121.02809	0.4
122.03645	0.3
123.00817	0.3
123.04430	1.6
124.01558	52.5
125.02452	2.9
133.02806	0.3
137.02359	0.9
139.03914	74.6
140.04265	2.2
143.03406	0.8
150.03160	0.3
151.03951	1.6
153.12651	0.3
159.02826	0.4
161.02367	1.0
161.04478	4.3
163.03951	0.6
163.11201	0.3
165.01837	0.5
167.03410	1.0
167.07083	0.4
169.12231	0.6
170.70985	0.3
175.03946	0.3
179.03400	0.3
179.05511	0.4
183.10229	0.4
185.11792	0.4
197.11772	7.8
198.12199	0.4
209.11795	6.8
210.12074	0.4
227.12863	1.7
228.13104	0.3
231.02806	0.3
235.08003	0.4
253.09349	0.6
289.07245	0.8
301.09149	1.2
311.22522	0.4
311.25882	0.8
313.23813	4.0
341.26990	5.1
342.27277	0.3
357.26492	1.1
358.26801	0.4
359.28024	100.0
360.28381	11.8
361.28568	1.1
373.29471	1.1
401.29153	2.1
405.97821	0.3
407.07986	0.4
425.28983	0.5
455.30356	1.9
481.22137	0.4
503.32227	1.0
581.25775	0.4
643.28503	0.4
643.37500	2.8
644.37433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.2
59.01249	4.3
61.98457	0.8
61.98704	8.2
67.01762	1.4
71.01260	2.4
71.54170	0.9
72.99174	1.7
73.02813	1.1
83.01274	1.1
84.14275	0.9
85.02810	1.3
88.98683	0.9
89.02309	1.2
95.01248	1.1
96.95898	1.7
101.02316	1.8
108.02048	4.3
109.02847	5.2
109.26621	1.0
111.00712	1.3
111.26403	0.9
113.02374	1.0
120.99548	30.6
121.02838	2.8
121.24296	0.8
123.00804	1.8
123.04381	4.4
124.01533	2.6
125.02323	2.9
133.02855	1.2
135.04408	1.4
136.01588	2.2
136.98969	0.9
137.01378	1.7
137.02361	21.0
137.03433	1.2
138.03191	1.9
139.03897	3.8
144.06680	0.9
147.04401	0.9
148.01700	1.3
149.02353	2.6
150.03127	3.1
151.00275	1.4
151.03896	2.9
152.01079	3.8
153.01863	2.0
153.05508	5.8
154.05862	1.2
161.02353	2.8
162.37315	0.8
163.00357	1.0
163.03894	1.5
164.01048	3.6
165.01854	100.0
165.05489	2.6
166.02335	4.8
175.03923	1.6
179.03419	21.1
179.04936	1.6
180.04205	50.0
181.04776	4.7
182.05304	1.2
193.04939	1.2
194.05769	2.6
195.02957	2.3
195.06563	68.1
196.06935	2.8
197.02596	1.0
203.06932	1.1
206.05710	1.2
207.06497	1.6
210.05280	10.3
211.06111	1.4
213.05522	1.5
221.08141	2.8
225.07635	56.8
226.07973	3.5
238.66649	1.0
241.05064	6.9
251.09270	1.0
256.07373	5.9
257.07742	1.3
271.09769	11.1
282.57852	1.0
289.07034	1.0
313.07083	3.3
327.08728	1.7
343.08188	2.0
344.08939	3.4
358.10687	7.1
359.11313	14.7
360.11740	2.0
373.12964	16.5
374.13092	2.2
389.12442	5.8
390.12906	0.9
404.14694	8.3
405.15244	1.8
408.11407	0.9
418.16669	1.6
419.17114	62.9
420.17450	6.9
434.98166	1.0
537.17566	1.6
551.19147	1.0
582.21191	1.9
597.23413	51.5
598.23761	10.0
645.24689	10.8
646.24890	2.0
663.12787	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	4.3
59.01258	29.8
61.98705	47.4
69.64781	7.5
71.01254	36.7
72.99176	5.6
73.02821	9.8
83.01254	6.1
83.04897	34.7
85.02824	15.5
85.99972	2.6
87.00750	4.0
88.98687	3.0
89.02321	17.3
96.95902	3.1
98.20516	4.5
99.00732	2.1
99.04421	3.9
101.02337	19.6
109.02801	2.3
111.00786	2.8
113.02354	12.5
119.03384	3.5
121.06482	5.5
123.04378	4.8
125.02327	7.8
127.03907	100.0
137.05959	4.4
139.07552	43.3
149.04486	2.9
153.05429	3.0
155.21407	1.9
160.01451	2.4
161.04472	7.5
164.04608	1.8
165.05489	20.3
179.05362	2.5
191.05496	2.8
197.11758	16.8
198.12016	9.5
199.12221	4.0
209.11746	14.0
210.12070	8.2
211.12372	4.5
227.12848	2.7
228.12967	2.5
251.60381	1.9
274.41382	2.1
297.69049	1.9
317.17630	2.7
340.88303	2.1
357.26593	2.0
421.33224	15.0
439.33911	3.6
501.22818	2.3
517.33917	19.7
535.34747	6.0
585.29492	2.8
601.39636	63.1
602.40082	11.6
627.37604	6.6
645.29883	2.2
645.38733	39.5
646.38538	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.8
59.01237	2.6
61.98700	7.6
67.01777	1.3
69.03310	0.7
69.43858	1.6
69.44264	2.7
71.01244	3.0
75.00726	0.8
81.52171	0.7
83.01268	0.7
83.69492	0.6
93.03316	1.2
96.95855	1.7
97.02824	0.9
101.02337	1.0
108.02049	0.9
109.02823	4.9
119.01300	0.9
121.02826	1.4
123.04408	2.5
124.01536	2.1
125.02347	7.7
130.54665	0.6
134.03638	0.6
135.04446	1.6
136.01564	3.4
137.02339	31.5
138.01862	1.3
138.03075	3.9
139.03914	5.0
145.02937	0.9
147.00760	1.9
147.04425	0.9
148.01547	1.0
149.02332	3.5
150.03117	1.4
151.00284	1.1
151.03903	9.8
152.04596	2.4
153.01662	0.7
153.05432	2.9
161.02353	2.0
162.03120	2.2
163.03911	4.4
164.01111	3.0
164.04704	6.1
165.01848	100.0
165.05527	2.0
166.02216	4.0
166.06219	1.0
167.03450	0.7
170.02159	0.7
175.03943	2.7
176.04681	1.9
177.01898	2.3
177.05502	4.5
179.03429	21.0
179.07014	6.8
180.04207	58.5
181.04948	9.3
183.07816	0.6
190.02618	1.2
191.07118	1.9
192.04276	1.7
193.05037	1.6
194.05800	9.3
195.02850	2.4
195.06566	78.2
196.06937	2.8
203.06917	0.7
205.04980	1.7
206.05894	0.8
207.06529	2.7
209.08133	8.7
209.11682	0.7
210.05275	10.0
210.07056	1.0
211.05940	1.3
213.05583	1.5
219.03107	0.7
225.07640	50.6
226.08002	2.0
227.12585	0.6
241.05016	5.8
256.07388	4.8
271.09717	9.9
272.10153	0.9
285.03973	1.2
289.07312	1.1
301.03412	0.9
310.81195	0.6
319.11899	1.4
361.12973	2.0
375.14554	2.3
389.16122	2.2
391.13998	5.2
392.14575	1.3
405.15771	0.9
406.16116	6.0
407.17014	3.9
419.17328	0.8
420.17975	2.1
421.18680	52.2
422.19052	6.3
475.19885	2.0
584.22729	0.9
599.24994	36.1
600.25623	6.7
611.25513	1.8
629.26239	2.7
630.26361	1.2
647.28583	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	648.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95220	0.2
57.03313	0.3
59.01256	1.2
61.98704	100.0
63.65118	0.2
66.82140	0.2
69.28823	1.7
71.01266	0.8
71.67522	0.2
83.01263	0.3
85.02844	0.3
88.97191	0.3
89.02316	0.3
96.95898	0.8
99.00817	0.3
101.02330	0.6
109.02897	0.3
113.02338	0.3
116.92754	0.3
123.04420	0.8
125.02338	1.1
126.45551	0.2
133.46587	0.2
134.03577	0.4
137.02376	0.5
145.02898	0.9
149.05989	2.3
150.03107	0.2
151.03912	0.3
153.05486	0.4
160.01591	0.4
161.02350	0.3
164.04730	0.3
165.01801	0.3
165.05473	0.3
175.02454	0.3
175.03958	0.8
193.05080	0.3
289.07272	0.3
337.09479	0.9
373.13092	0.2
487.16306	0.7
621.30115	0.2
629.39209	0.3
649.23053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09050	0.2
53.81423	0.2
55.74548	0.2
57.47804	0.2
59.01244	1.0
59.39430	0.2
61.13506	0.2
61.98702	100.0
62.98396	0.3
68.03516	0.2
69.36080	1.5
71.01253	0.3
83.01237	0.2
87.00746	0.2
88.98730	0.2
89.02316	0.3
101.02361	0.2
109.02824	0.9
123.04441	1.0
124.61720	0.2
125.02368	0.2
137.02362	0.7
139.03941	0.3
145.02876	0.3
149.02362	0.5
151.03891	0.7
153.05554	0.4
160.01607	0.3
161.04500	0.2
190.02707	0.2
191.03600	0.3
205.05029	0.3
209.11658	0.3
213.05400	0.2
215.07080	1.3
301.07172	1.8
423.18118	7.8
424.18433	1.2
585.23291	1.9
586.23749	0.4
610.01343	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47512	2.0
50.86383	1.9
59.01242	6.0
64.83310	2.3
65.00171	2.3
65.99712	4.3
69.82675	10.4
71.01242	6.2
73.02824	2.7
83.01300	2.7
85.02819	2.4
89.48487	2.3
93.03349	7.3
95.01262	2.6
101.02325	4.4
107.01266	7.8
109.02826	5.0
111.00758	3.3
118.02885	3.0
123.04430	2.8
125.02328	4.1
132.02057	2.8
134.02348	8.1
137.02319	17.3
139.00237	3.0
146.02414	3.2
149.02328	6.3
151.00272	27.1
151.03958	4.3
162.01874	23.8
163.00281	8.2
163.05988	3.5
164.03435	24.8
169.01244	3.6
171.04482	2.7
172.03952	3.3
176.00983	2.8
177.01875	27.7
178.99808	11.3
186.01913	21.2
187.03850	3.0
190.01355	13.2
193.01315	4.8
203.02075	3.0
204.02962	23.1
211.04103	2.8
213.67976	2.1
217.05127	2.6
227.03508	8.0
229.05090	3.6
230.00920	2.8
238.04959	3.4
239.03494	3.2
243.02943	2.4
250.05014	3.6
253.05235	3.7
255.02982	22.0
256.03488	3.4
257.04532	4.9
266.04507	8.0
267.02948	2.9
268.03662	3.8
269.04510	22.4
270.04263	2.2
271.02469	8.0
272.03152	5.2
278.04474	2.7
279.02963	7.4
283.02435	8.0
284.03094	10.7
285.03949	6.5
286.04703	3.0
294.03973	5.9
295.04691	6.5
296.02884	2.8
297.03998	14.0
300.02673	14.7
301.03549	33.6
305.03162	2.9
306.04047	25.4
323.04300	34.7
324.05127	86.1
325.05365	7.4
340.04269	3.6
341.05356	28.8
342.06259	10.2
366.43451	2.3
394.53595	2.1
485.12961	11.7
530.15247	23.8
556.13019	4.9
583.16840	4.0
609.14526	11.1
632.16156	47.0
633.16382	10.0
650.17236	100.0
651.17212	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	651.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	84.4
60.01588	0.9
69.01762	0.5
71.01256	4.9
71.02525	1.0
73.02818	1.0
85.02828	1.9
87.00777	0.7
87.48727	0.5
89.02302	1.0
92.43808	0.4
99.00771	0.5
101.02317	3.0
113.02325	1.2
131.03409	1.4
151.11159	0.5
161.04454	2.1
178.76059	0.4
195.53030	0.5
221.06563	2.3
277.21722	100.0
278.22058	9.6
291.23331	0.8
331.17709	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	653.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27011	0.5
56.93402	0.5
59.01250	1.0
60.73843	0.4
61.98700	0.6
62.96286	1.1
69.54483	2.1
78.95776	100.0
81.20182	0.4
96.57793	0.4
148.99989	4.8
179.01079	0.5
205.15871	2.5
219.62750	0.4
222.38734	0.4
247.88693	0.4
285.12558	3.4
304.82529	0.4
355.16748	3.3
384.71454	0.5
385.17755	1.5
447.13522	5.6
448.13742	0.7
456.46732	0.5
653.30115	55.7
654.30396	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	653.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.6
57.03328	1.3
58.00476	2.1
58.14120	0.2
59.01252	38.5
60.01577	0.4
61.98714	0.4
67.01778	0.4
68.99687	0.7
69.03330	2.2
71.01255	36.8
72.01605	0.5
72.99181	3.0
73.02819	6.1
75.00761	0.9
78.81552	0.2
81.03333	1.5
83.01260	4.4
83.04909	0.3
85.02827	7.7
85.99970	0.4
87.00751	9.7
87.04396	0.3
89.02319	31.0
90.02652	0.7
91.03901	0.8
95.01258	2.7
95.04925	0.4
97.02834	5.8
99.00760	2.1
99.04389	0.4
100.54456	0.2
101.02327	30.2
102.02648	0.5
103.00293	0.2
103.03888	0.4
109.02854	0.7
111.00785	0.7
111.04403	1.1
113.02332	15.3
114.02690	0.3
115.03903	0.8
119.03393	10.7
121.02860	0.9
123.00799	0.5
123.04443	0.3
124.01556	0.4
125.02341	13.9
126.02648	0.5
127.03941	0.6
131.03391	1.9
131.24402	0.2
133.04985	1.2
135.04425	0.2
137.02339	0.4
139.03944	1.4
141.01875	0.5
143.03404	6.2
145.04964	0.2
148.07149	0.2
149.02403	0.2
149.04509	1.1
151.03891	0.3
157.04971	0.4
159.03006	0.3
161.04465	7.7
161.05824	0.4
162.04813	0.2
162.84900	0.2
167.03404	1.2
169.05019	0.4
171.02829	0.3
179.05534	6.4
185.04497	0.7
199.06004	0.5
203.05623	0.5
217.07170	1.2
219.05101	0.3
221.06618	2.1
235.08199	14.3
236.08516	0.7
245.06752	1.1
253.09290	3.3
255.23271	100.0
256.23624	9.8
259.08203	0.3
263.07785	1.3
269.24930	0.5
277.09326	1.0
287.07730	3.3
305.08813	3.5
306.08994	0.3
323.09851	1.8
361.11548	0.5
379.12408	0.9
397.13507	84.3
398.13834	7.4
415.14587	31.9
416.14941	2.6
653.37299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.6
56.02354	0.2
57.03323	1.2
58.00470	2.1
59.01254	42.0
60.01593	0.3
61.98705	1.4
64.04930	0.2
67.01730	0.3
69.03329	2.3
71.01256	40.6
72.01591	0.5
72.99182	3.6
73.02824	6.2
75.00754	1.0
81.03323	1.5
83.01265	4.9
83.04910	0.5
85.02828	8.4
85.99962	0.3
87.00754	10.2
87.04419	0.4
89.02321	32.4
90.02661	0.5
91.03893	1.0
93.03349	0.4
95.01262	2.7
97.02829	7.2
99.00757	2.4
99.04416	0.4
101.02327	33.6
102.02728	0.5
103.03920	0.4
109.02844	0.7
111.00813	0.6
111.04400	1.1
113.02338	15.9
114.02709	0.4
115.03910	0.6
117.76617	0.2
119.03394	10.6
119.04248	0.5
121.02872	0.7
123.00784	0.3
123.04437	0.4
124.01588	0.6
125.02344	13.3
126.02618	0.3
127.03913	0.4
131.03404	2.0
133.01245	0.3
133.04961	0.7
137.02371	0.6
139.03922	1.1
141.01836	1.0
143.03410	7.2
145.04924	0.3
146.86696	0.2
149.04451	1.3
157.04988	0.4
161.04475	7.4
167.03439	1.0
169.04994	0.7
179.05557	7.1
185.04507	1.0
199.06055	0.7
203.05528	0.5
217.07118	1.3
219.05075	0.5
221.06596	2.1
235.08200	16.3
236.08521	0.6
237.22261	0.5
245.06671	1.0
253.09294	3.4
255.23277	100.0
256.23621	9.3
263.07724	1.5
269.24924	0.6
277.09247	0.9
287.07794	3.4
305.08731	4.3
306.09052	0.4
306.33102	0.3
323.09750	2.0
361.11404	0.6
379.12393	1.1
397.13501	86.5
398.13843	9.3
415.14575	33.6
416.14978	2.7
526.13611	0.3
646.77441	0.3
653.26086	0.8
653.37048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.6
60.14724	0.1
61.98704	100.0
69.87029	0.3
71.01260	0.2
78.16064	0.1
78.95807	0.1
90.17431	0.1
97.14561	0.2
121.30643	0.1
134.70570	0.1
135.32443	0.1
200.64709	0.1
209.11859	0.4
267.43597	0.2
517.36810	0.2
576.25977	0.2
580.23401	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18472	0.8
59.01237	1.9
61.98702	100.0
70.44958	1.5
70.45350	2.4
144.58607	0.9
148.70367	0.7
155.19798	0.8
181.82968	0.9
278.21902	1.7
342.61102	1.0
446.59952	0.9
528.90283	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19368	1.3
59.01237	5.0
61.98701	4.0
63.02272	3.4
65.00195	11.9
67.01760	2.0
68.99689	2.0
69.69025	7.9
71.01263	3.6
72.99165	3.1
83.01270	5.9
87.00764	2.6
89.02312	4.7
91.01768	1.7
95.01259	5.7
96.99202	1.9
99.00768	3.3
101.02366	1.9
107.01273	15.7
108.02056	3.2
109.02856	2.8
109.70746	1.3
109.99982	2.8
111.00759	18.3
120.82532	1.4
122.49957	1.5
123.00764	7.6
123.04367	4.4
124.01573	3.8
125.02311	7.7
127.00284	1.8
127.80101	1.6
132.02019	1.8
133.02852	2.6
135.00775	3.2
136.98767	2.5
137.02293	2.2
137.99458	2.1
139.00262	26.4
141.01834	2.6
143.04916	2.3
145.02792	2.6
147.04376	4.2
148.01576	3.5
149.02342	1.8
149.99486	6.7
150.03154	2.2
151.00281	48.0
151.03868	1.7
152.01015	7.8
153.01823	4.1
154.99770	3.3
155.03470	1.6
157.02771	1.7
158.03598	2.0
159.04391	4.5
161.02328	5.7
162.03255	1.5
163.00240	2.7
163.03851	4.1
164.01089	2.1
164.98178	4.9
165.01767	2.4
165.98985	3.8
166.99741	5.8
167.03398	1.9
168.00502	2.1
169.01306	5.8
170.13582	1.5
171.04385	2.5
174.03098	5.0
175.03918	8.7
176.01016	1.9
177.01935	1.8
177.99007	10.5
178.98212	2.3
178.99788	46.8
179.03418	2.0
180.00105	2.8
181.05028	1.7
181.98405	1.5
185.02374	2.3
186.03136	2.7
187.03937	10.4
189.01801	8.5
190.02689	1.6
191.03418	1.8
193.01378	4.3
194.99265	2.8
197.02367	3.3
198.03191	3.1
199.03909	4.5
201.01849	6.1
202.02666	7.2
203.03479	12.1
204.04172	8.4
205.01360	1.6
205.04890	2.5
206.99289	8.2
207.99979	2.5
209.00822	6.1
213.01834	5.3
214.02628	7.7
215.03441	10.8
216.04105	1.7
217.01370	9.3
217.05003	3.6
219.02876	1.9
227.03467	5.5
229.01398	4.7
229.04968	2.9
230.02156	5.7
231.02977	13.3
232.03622	4.6
233.04228	1.7
241.01208	3.6
242.02139	13.9
243.02974	20.6
244.00031	1.6
244.03502	2.7
245.00906	5.3
245.04413	3.7
246.01508	3.6
246.05331	2.4
247.02338	1.9
247.06114	22.5
255.02946	6.4
257.00833	15.8
257.04691	3.5
258.01584	8.6
259.02444	22.5
260.03018	2.4
261.00369	10.0
261.03931	2.5
269.00848	1.8
270.01627	8.9
271.02426	25.6
272.02954	3.2
273.04034	4.0
274.01193	5.6
274.04269	2.0
275.02151	1.6
275.05502	4.7
284.03256	3.6
285.00793	1.9
285.04028	22.2
286.01196	19.3
286.04333	2.8
287.01974	22.2
288.02420	2.7
297.00412	9.3
298.01169	2.9
299.01910	11.7
300.02615	10.6
301.03528	23.0
302.00916	2.3
302.04169	8.4
303.01422	8.4
303.05121	14.8
304.05573	1.9
306.24255	1.6
313.00012	2.4
313.03583	6.2
313.92859	1.5
314.00607	8.9
314.04303	8.6
315.01291	6.1
315.05032	9.0
316.01944	1.8
317.02930	4.6
318.03732	6.3
319.04471	3.8
329.03000	75.1
330.03558	9.5
331.00830	3.3
331.04492	3.1
345.02423	3.3
346.03195	13.1
347.03964	20.4
348.04138	1.9
493.09476	1.7
498.66467	1.7
501.12350	1.6
505.11682	1.8
517.11859	3.1
543.13440	7.3
555.16974	4.5
593.15173	8.9
609.14569	5.2
611.16095	5.3
623.12439	3.6
627.15637	4.3
637.14020	5.9
655.15125	100.0
656.15637	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	655.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	4.3
58.00471	0.9
59.00957	1.0
59.01254	25.8
61.98706	43.0
63.04435	0.6
65.00196	3.4
65.03822	0.7
65.54900	0.6
67.01737	0.8
69.03325	1.0
71.01257	13.1
71.54977	0.8
72.99166	1.8
73.02823	3.1
81.03339	0.8
83.01251	5.0
83.04904	2.1
85.02829	3.0
87.00764	1.7
88.98687	2.6
89.02316	6.0
93.03344	1.9
95.01284	1.5
95.04930	0.7
96.95876	1.3
97.02804	0.8
97.06482	0.7
99.04461	0.7
101.02332	7.5
107.01267	4.5
107.04910	2.6
108.02067	6.6
109.02831	3.3
111.00773	1.3
113.02330	4.3
117.03336	2.2
119.03404	2.7
119.04877	3.6
120.99541	2.0
121.02837	5.1
122.03638	5.3
123.00806	0.7
123.04445	6.9
124.01553	3.4
125.02343	16.0
132.02086	11.0
133.02855	3.9
134.03641	16.7
135.04427	17.0
135.75139	0.8
136.01564	4.1
136.05167	1.3
137.02357	22.5
138.03140	9.7
139.00346	0.8
139.03928	4.8
143.03427	1.2
145.02843	2.7
147.04399	1.0
148.01566	1.5
149.02364	4.6
149.04672	0.7
149.05936	4.3
149.09622	0.8
150.03131	5.6
151.00290	22.3
151.03902	9.6
151.06006	1.4
152.01019	1.0
152.04669	3.3
153.01859	2.1
153.05530	2.2
154.02606	1.1
160.01576	51.4
161.02356	19.6
161.04478	1.9
161.05936	1.1
161.09668	3.4
161.13281	1.9
162.03069	1.6
163.00290	3.1
163.03937	4.5
163.07379	0.7
163.11230	1.1
164.01094	10.1
164.04681	1.7
165.01851	14.5
165.05469	2.4
166.02544	1.0
167.03477	1.7
167.10683	1.6
169.01454	0.9
174.03101	1.1
175.03928	65.4
176.04382	3.0
177.01857	2.5
177.05486	1.2
178.02657	5.8
178.99843	1.1
179.03426	14.7
179.05530	2.2
179.10741	0.9
180.04131	4.1
181.05002	3.1
187.03912	1.4
187.11217	5.2
188.04654	0.9
189.01917	0.7
189.05534	1.6
189.09117	3.0
190.02621	1.8
191.03358	0.8
191.07080	1.1
193.03313	1.3
193.04987	17.4
194.05449	1.0
195.06564	2.6
199.03960	1.4
200.04736	1.1
202.02740	1.0
203.03368	0.8
203.07042	0.9
205.05055	2.4
205.12325	3.0
207.10184	3.0
209.11803	7.5
211.04279	1.0
217.05008	2.9
217.08600	0.9
225.05330	0.7
225.14905	0.9
227.03516	0.8
227.12811	4.1
235.06024	0.9
241.05054	2.9
241.08740	1.4
242.05769	5.1
243.06487	1.8
249.11311	2.5
257.08380	1.4
259.06104	1.9
267.12375	0.9
269.04486	2.0
269.13940	1.3
270.05310	9.0
275.05716	1.1
285.04126	5.2
285.07660	38.5
286.04407	0.9
286.08023	2.9
287.05600	15.4
287.14963	3.4
302.07965	4.4
303.05069	2.5
303.08713	2.9
313.11499	9.8
313.23883	2.2
317.10297	70.4
318.10733	6.2
323.07794	3.6
337.09286	100.0
338.09674	8.1
341.26810	5.8
359.28040	50.5
360.28125	1.4
367.10211	3.9
373.29739	3.5
377.10580	1.1
401.29065	1.2
449.20251	2.7
489.13989	1.8
529.14825	2.5
627.17517	1.4
637.32617	0.9
655.19269	14.6
655.33484	29.5
656.20026	2.4
656.34088	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	655.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28813	2.6
59.01252	100.0
61.69638	2.6
61.98703	12.4
71.20562	5.3
73.47433	2.5
97.02846	5.2
97.86910	2.8
101.26557	2.8
105.83093	3.0
141.01610	59.2
147.04582	2.9
153.61191	3.7
189.02271	3.1
202.41235	3.0
209.11783	4.8
277.21646	4.8
472.94162	2.9
535.27454	3.9
556.57776	3.4
654.09894	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	655.334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	7.2
58.35626	1.1
59.01250	56.7
60.40616	1.2
61.98701	65.9
69.33876	6.7
69.34281	2.3
71.01254	21.6
73.02805	5.9
75.00746	2.1
80.58598	1.3
81.03319	1.5
83.01248	6.2
83.04893	3.5
85.02821	7.8
87.00749	5.7
88.98684	11.8
89.02312	15.1
93.03329	3.8
95.01285	1.9
95.04917	2.3
96.95918	1.6
97.02837	2.0
97.06468	2.5
101.02326	13.2
107.04890	6.7
108.02051	3.5
109.02818	3.5
110.31361	1.3
111.00756	1.4
113.02335	7.5
115.00258	1.6
117.03345	3.1
119.03378	4.5
119.04907	3.1
120.05689	2.9
121.02852	4.4
122.03653	2.0
123.04397	7.7
124.01519	3.3
125.02325	5.8
132.02058	4.7
133.02805	3.1
134.03616	6.7
135.04385	4.8
135.08005	1.4
136.01517	1.7
136.05208	6.9
137.02344	13.7
137.05977	11.2
139.03902	5.8
143.03415	2.4
145.02826	4.9
149.02359	3.2
149.05978	4.2
150.03114	2.2
150.06743	2.8
151.00261	2.0
151.03947	7.6
152.04639	2.3
153.05508	1.7
157.08586	1.4
160.01570	22.6
161.02357	8.3
161.04424	6.5
161.09636	18.3
161.13228	6.5
162.62437	1.4
163.00290	1.8
163.03880	4.7
163.11203	3.2
164.04663	1.8
165.01820	4.0
165.05440	3.4
171.10324	1.8
175.02530	1.6
175.03928	28.3
177.02028	1.2
178.02505	1.4
179.03391	5.1
179.05522	2.4
179.10704	2.3
185.11673	2.1
187.11215	17.0
189.09154	10.7
190.02565	2.6
191.03258	1.5
193.04984	10.0
195.06534	2.6
203.10672	2.9
205.04985	3.4
205.12299	14.5
207.10172	7.1
209.11780	19.1
227.12851	2.5
231.10239	1.7
244.14636	1.3
249.11316	8.3
259.06064	1.9
267.12469	2.8
269.04520	3.9
270.05029	1.7
285.04767	2.2
285.07541	8.3
285.20609	3.4
287.05640	3.0
317.10269	14.2
325.23834	3.2
337.09286	16.5
338.09317	1.6
355.24838	9.0
357.26477	1.5
358.26401	2.1
359.27960	6.1
371.24268	7.1
373.25949	29.6
374.26147	3.6
459.16876	1.6
475.21582	2.6
475.30005	1.8
493.31699	4.5
637.32111	3.7
655.33691	100.0
656.33820	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	655.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02080	0.8
57.03311	0.9
59.01255	9.2
61.98708	35.2
62.24780	0.7
69.36848	1.6
69.37254	5.1
71.01261	9.4
72.99178	0.7
73.02814	1.2
81.03337	2.2
82.89394	0.8
83.01254	2.4
83.04907	1.5
85.02831	7.0
87.00768	0.9
89.02316	3.2
93.03317	5.1
95.01279	3.6
95.42362	0.8
97.02883	0.8
99.00761	1.8
101.02324	4.2
107.04906	1.6
108.02061	74.0
109.02853	41.2
109.06490	1.6
110.03232	1.0
113.02356	3.5
116.58620	0.7
118.05736	0.7
119.03380	1.5
121.02866	1.9
123.00776	3.1
123.04418	19.6
125.02326	3.9
135.04424	2.0
137.02350	8.0
138.01857	2.5
145.02893	1.2
147.04523	1.0
150.06808	0.9
151.03946	3.0
152.01067	65.5
153.01869	18.3
153.05489	21.9
154.05838	1.5
161.02382	1.8
161.04436	2.0
162.06799	1.1
163.03944	1.8
163.11201	1.3
165.01851	1.7
169.05132	0.9
171.10158	1.1
175.03975	1.9
207.10222	2.3
209.11774	30.6
210.12178	2.9
211.13391	3.2
225.11240	1.2
227.12987	1.2
253.09163	2.2
275.20206	0.9
309.04074	1.0
327.25443	3.5
339.25455	1.9
357.26508	22.5
358.26813	2.5
373.25854	1.7
401.23438	1.2
475.33997	1.3
493.35696	1.8
529.15076	1.3
599.37592	1.4
637.31372	2.1
637.39789	3.1
655.32275	100.0
656.32703	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	655.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03490	0.8
51.21884	0.7
57.03328	4.8
59.01254	43.2
60.01586	0.9
61.98706	20.0
64.54604	0.7
69.55835	4.2
71.01257	12.5
72.99194	2.4
73.02827	2.9
78.95763	0.7
83.01264	2.1
83.04906	3.3
85.02816	4.0
87.00755	6.1
88.98693	1.9
89.02326	9.8
93.03330	1.9
95.01260	1.7
95.04890	1.4
96.95851	1.2
97.06475	3.1
101.02327	6.4
104.52238	0.7
107.04913	8.0
109.02849	2.3
111.00750	1.0
113.02347	4.3
115.00256	0.6
116.92780	0.9
117.03347	0.8
119.03422	4.1
119.04987	1.6
120.05690	3.1
121.02876	2.2
122.03614	0.9
123.04422	2.2
125.02335	7.0
125.47565	0.9
131.03288	0.8
133.02859	4.7
133.06503	0.9
135.04440	5.2
136.01518	0.7
137.02371	3.3
137.06067	0.8
145.02873	4.3
148.05249	2.0
149.02316	1.5
149.05977	1.2
150.03122	1.4
151.00221	1.0
151.03903	2.5
152.04704	1.3
153.01845	3.3
153.05463	0.8
157.06543	1.0
159.08089	1.1
161.02348	15.2
161.04495	1.9
161.09637	16.0
161.13269	6.3
162.02870	1.1
162.10040	1.0
163.00218	0.9
163.03914	1.6
163.07468	0.9
163.11209	1.6
165.01840	1.7
165.05498	1.2
167.03473	2.1
167.10759	1.1
175.03922	1.3
177.01860	2.7
179.03456	2.9
179.07005	1.5
179.10655	1.0
180.04286	0.9
181.05048	1.3
187.11212	19.7
188.11647	1.1
189.09131	12.1
190.09430	1.2
192.04285	1.9
192.99635	1.3
195.06604	2.4
203.10745	2.2
205.12265	8.6
207.06606	4.7
207.10194	4.1
208.01953	2.6
209.04460	0.9
209.11739	1.3
223.04311	7.5
231.10196	1.2
241.05360	1.5
249.11299	9.9
251.05608	0.9
255.03087	1.1
267.12418	3.2
268.12640	1.1
284.03290	1.8
285.04010	3.8
287.05811	1.1
289.07208	3.5
297.06152	1.0
297.11786	1.4
307.08496	1.5
317.06589	1.6
329.06915	1.5
331.12027	1.4
347.14871	1.3
373.25851	1.0
375.27658	2.1
383.09875	2.3
391.26917	1.0
403.10815	2.3
405.21191	0.7
475.21606	0.9
487.14413	0.9
491.12607	1.6
493.24377	1.3
493.31729	1.0
503.13971	1.4
529.15277	1.7
539.34106	1.2
593.13306	3.1
637.32703	1.7
655.33649	100.0
656.24579	1.2
656.33972	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	655.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	6.4
58.00466	1.2
59.01253	46.5
60.99163	0.9
61.98704	99.9
65.00204	1.5
69.38992	6.0
71.01259	18.3
71.04897	0.9
72.99174	2.5
73.02805	3.7
81.03330	1.0
83.01265	4.2
83.04900	4.1
85.00491	0.7
85.02834	4.0
87.00761	6.0
87.04420	1.0
88.44916	0.7
88.98669	5.3
89.02325	11.3
93.03344	2.3
95.01278	1.5
95.04888	1.4
95.06552	0.8
96.95910	1.8
97.02827	1.7
97.06476	3.2
99.31837	0.9
101.02326	10.3
106.04132	1.3
107.01266	3.6
107.04939	7.0
108.02063	2.5
109.02828	3.1
111.00752	1.9
113.02341	4.7
116.92736	4.3
119.03376	4.1
119.04893	2.8
120.05690	2.8
120.99557	4.4
121.02832	2.7
122.03617	2.3
123.00791	1.5
123.04456	5.6
123.08057	1.1
124.01511	1.3
125.02359	8.3
125.05997	0.8
132.02048	4.3
133.02823	2.3
133.04980	0.9
133.10152	0.9
134.03668	5.1
135.04424	16.5
135.08089	1.0
135.11612	1.2
136.01547	2.5
136.04929	0.9
137.02342	10.1
137.05977	1.5
138.03096	2.6
139.00322	1.2
139.03886	2.8
141.05449	1.7
143.38416	0.8
145.02829	2.3
147.00699	0.9
148.01576	1.5
149.02348	2.8
149.05972	2.3
149.09648	1.3
150.03067	1.4
150.06720	1.0
151.00269	18.4
151.03934	4.0
152.04660	2.7
153.05449	2.7
157.06390	0.8
159.04353	1.0
159.08046	1.2
160.01579	18.5
161.02364	8.5
161.04504	1.9
161.05937	0.8
161.09637	18.7
161.13309	5.6
162.03090	1.0
162.09982	1.1
163.00273	1.7
163.03937	3.2
163.11198	3.0
164.01074	4.1
165.01828	5.9
165.05490	1.7
167.03407	1.5
167.10632	1.4
175.00299	1.7
175.03926	18.2
176.04311	1.8
178.02655	1.2
179.03432	4.8
179.05553	2.8
179.06978	0.8
179.10707	1.4
180.04156	0.9
185.09613	1.0
187.11215	17.8
188.11598	1.4
189.09142	11.7
190.02675	5.0
191.07127	1.1
193.05025	4.5
195.06442	1.2
201.05405	0.8
203.10741	2.1
205.04997	5.8
205.12289	10.4
207.10257	4.7
209.11783	19.1
210.12181	1.0
223.06094	2.0
223.13257	0.9
227.12827	2.3
231.10304	1.2
242.05721	0.8
243.06458	0.9
247.13402	1.0
249.11362	8.8
253.09163	1.2
254.55879	0.8
256.98618	0.8
267.12262	2.2
270.05304	2.1
285.04135	2.3
285.07684	9.2
286.08057	1.4
287.05664	10.0
287.15036	1.4
289.07275	1.4
302.07983	1.2
313.11264	4.6
313.23874	1.2
317.10260	21.5
318.10614	1.6
337.09293	25.2
338.09683	3.2
341.26892	2.8
343.11548	1.3
355.12259	0.9
355.24890	1.4
359.28064	28.4
360.28342	3.2
367.10458	2.7
371.24408	1.0
373.25934	2.5
443.32663	0.8
493.23465	0.9
493.31586	1.0
511.25711	1.4
529.15112	2.2
593.14832	1.1
607.29572	0.9
625.22778	1.4
637.32318	1.5
655.33478	100.0
656.17352	1.2
656.33795	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	655.37
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52106	0.8
53.63872	0.8
55.56133	0.8
57.03320	2.2
59.01256	12.3
61.98706	32.6
62.00026	0.8
69.03335	1.0
71.01253	10.0
72.99207	1.7
73.02833	2.4
75.00775	1.7
78.95792	2.5
83.01274	2.0
83.04900	1.3
85.02835	4.2
87.00768	2.2
87.04387	6.1
88.98711	2.3
89.02316	4.5
93.03337	12.3
93.03835	1.1
97.06516	1.0
99.04395	1.1
101.02334	6.7
102.92067	0.8
108.02038	1.9
109.02882	2.2
113.02362	4.4
119.03447	2.4
119.04959	2.0
121.02880	2.9
121.06528	2.3
122.03663	2.0
123.04404	20.0
124.01559	2.4
125.02359	5.2
125.09656	1.1
133.02859	1.2
134.03679	1.9
135.04404	9.1
136.01666	1.5
136.05197	32.8
137.02350	22.1
137.05908	2.7
138.01854	0.9
139.03947	3.5
147.04427	1.0
148.05241	1.1
148.76924	1.0
149.02402	1.4
149.05998	7.9
150.03194	1.1
150.06758	5.3
151.03952	1.2
152.99553	1.5
153.01831	1.1
153.05478	20.9
154.05853	1.7
157.12411	0.9
160.01573	5.8
161.02354	2.6
161.04472	2.0
162.06789	3.6
163.03966	1.5
163.07608	2.1
164.08344	5.0
165.01895	1.3
165.09137	20.7
165.10472	1.5
167.03447	1.1
167.10745	1.1
171.10251	3.7
175.03911	4.9
177.01952	1.0
177.09189	1.1
179.03436	1.1
179.07072	1.3
179.10733	1.4
185.11877	2.6
193.05112	1.8
195.06638	1.1
205.05077	1.5
207.10291	1.3
209.11798	15.7
211.13388	1.2
217.49738	0.8
227.12886	1.7
229.96199	1.3
247.13560	1.5
253.09398	1.1
265.14471	1.9
287.05594	1.0
289.07278	1.8
299.11401	2.1
300.02890	2.3
301.03583	1.1
327.21796	10.6
327.25357	1.1
343.25040	1.4
355.25095	4.1
357.26389	1.7
371.24585	2.8
373.25912	12.7
374.26437	1.6
375.27704	1.9
429.30334	1.4
432.29065	3.3
447.31073	12.6
448.31580	1.7
463.32950	2.4
475.30933	3.5
492.30682	2.1
493.21185	1.4
493.31570	27.8
494.31934	5.7
535.31122	12.3
536.31970	2.6
593.13275	1.2
595.36823	1.6
623.29065	1.1
637.32574	2.2
655.36981	100.0
656.37347	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09244	0.1
59.01256	0.9
61.98704	7.9
66.19623	0.1
71.01253	0.9
73.02823	0.2
81.03332	0.4
83.04900	0.3
85.02835	0.3
89.02341	0.3
93.03342	0.7
95.01265	0.3
95.04917	1.2
98.20592	0.2
101.02307	0.6
108.02055	0.5
109.02831	0.2
113.02337	0.6
119.03492	0.1
121.02837	0.6
122.03616	1.2
123.04414	85.6
124.01534	0.1
124.04749	3.6
125.02322	0.3
135.04367	0.2
137.02321	0.4
138.01918	0.4
143.03398	0.2
151.03937	0.2
152.04744	0.2
153.05486	100.0
154.05817	4.7
160.01582	0.3
161.04457	0.9
163.07523	0.2
163.11220	0.3
165.22157	0.1
167.03433	0.2
171.10188	0.3
175.03900	0.3
209.11789	5.5
210.12134	0.3
211.13400	0.3
225.11258	0.2
227.12891	0.4
253.09396	0.3
271.32578	0.2
297.09854	0.4
315.10919	1.0
327.25314	0.8
337.44168	0.1
339.25461	1.5
340.25491	0.2
357.26456	14.6
358.26791	1.7
369.17245	0.2
373.25775	0.2
392.45340	0.2
399.27286	0.3
433.12766	0.1
453.28470	0.4
487.14203	0.2
501.30899	0.5
529.14886	0.2
540.31641	0.2
637.32532	0.4
655.37048	3.3
656.37231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.7
58.00445	0.5
59.01252	6.2
61.98706	19.4
64.90147	0.5
69.84569	1.9
71.01259	4.1
73.02866	0.5
75.00785	0.7
79.60310	0.6
81.03344	0.8
82.25835	0.5
83.04924	0.6
85.02831	1.8
87.00765	0.7
89.02335	1.7
93.03368	1.1
95.01262	0.5
95.04922	1.8
97.06476	0.8
101.02312	2.7
108.02028	0.8
109.02849	0.8
109.06479	0.7
113.02321	1.4
119.03345	0.8
121.02845	0.8
122.03623	1.0
123.04418	81.9
124.04769	3.5
125.02347	2.5
135.04448	1.4
137.02402	0.8
138.01845	1.1
139.03877	0.6
150.06792	0.6
151.03915	1.5
153.05489	100.0
154.05821	4.4
161.04485	2.1
163.07558	1.1
163.11188	1.0
167.03424	1.4
171.10202	0.8
175.03925	0.6
179.05576	0.6
193.05046	0.5
195.63991	0.5
205.05109	0.5
207.10277	2.7
209.11790	7.5
210.12068	0.7
211.13371	4.7
225.11272	2.1
227.12750	0.5
235.08232	0.6
241.17981	1.3
268.92627	0.5
289.07068	0.5
313.23853	1.2
315.11014	1.0
327.25281	1.0
339.25311	1.9
341.26877	2.7
357.26501	17.2
358.26794	2.1
359.28018	6.5
360.28305	0.5
367.01474	0.5
373.29736	1.6
383.22244	1.2
401.23218	1.9
401.28726	0.8
461.20471	0.6
493.35410	0.8
500.92728	0.5
501.30673	0.7
619.30524	0.6
637.31586	3.6
655.39044	7.4
656.38312	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	656.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55432	0.7
57.03316	2.5
59.01255	18.5
60.01583	0.8
61.98706	91.3
70.30970	2.2
71.01254	6.7
72.99181	1.2
73.02821	2.3
75.00743	0.9
81.03349	1.1
83.01278	1.5
83.04881	0.7
85.02834	2.1
86.82639	0.8
87.00735	2.1
88.98676	1.7
89.02325	4.2
93.03359	1.9
96.95895	0.8
99.61990	0.7
101.02332	3.8
107.01292	2.5
107.04929	1.0
109.02838	2.2
113.02341	1.9
117.03338	1.8
119.03381	1.0
119.04877	3.4
120.58571	0.7
120.99629	0.8
121.02851	3.9
122.03655	0.9
123.00806	0.9
123.04416	5.3
124.01595	1.3
125.02364	4.7
132.02089	1.4
133.29488	0.7
135.00711	1.2
135.04431	1.3
137.02354	3.5
139.03975	0.9
145.02881	11.8
146.03154	0.8
149.02333	1.9
150.03133	1.5
151.00296	4.3
151.03894	2.5
153.01830	2.2
153.05426	1.6
160.01566	1.1
161.02353	2.6
161.04436	1.4
161.06013	0.9
161.13243	1.1
163.00316	2.3
163.03905	3.4
163.07579	0.8
163.11205	0.8
164.01138	1.4
165.01836	2.7
165.05461	1.7
167.03423	4.6
167.04674	0.8
169.06436	0.9
175.03925	2.1
177.01860	2.0
178.99785	0.7
179.03403	0.8
180.04156	1.0
181.04915	0.8
183.04399	0.8
185.06039	1.5
187.03928	2.8
187.11256	1.9
189.05484	1.0
189.09148	1.8
195.06587	1.4
197.05998	1.2
199.03870	1.6
203.07013	0.7
205.05029	2.1
205.12236	1.3
207.10172	2.6
208.10449	1.0
209.04501	1.5
211.03870	1.7
212.04669	1.1
213.05396	1.5
227.03467	22.2
228.03949	1.5
229.04987	5.4
240.04158	0.9
243.02963	1.0
249.11395	1.1
255.02962	40.9
256.03525	6.2
257.04535	4.6
271.02332	1.1
284.03275	62.9
285.04034	60.4
286.04398	5.6
289.07248	3.1
299.02014	5.0
300.02905	1.2
307.08252	2.4
327.05286	0.7
333.14313	0.8
347.15057	0.8
375.27283	1.5
435.06845	0.9
447.09344	1.4
462.08105	2.0
493.24771	1.1
593.13025	100.0
594.13324	18.3
618.62122	0.7
655.33246	7.3
656.17230	0.9
656.34308	6.3
657.17206	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	656.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.7
61.98704	24.2
65.09799	1.3
66.75552	1.1
69.51904	8.8
85.02801	1.5
89.02322	1.8
101.02359	2.2
109.02848	3.7
123.04434	2.2
125.02361	10.0
137.02382	2.4
150.03064	1.6
151.00276	3.5
151.03937	2.9
153.01811	1.5
161.02325	4.0
163.00293	2.5
165.01877	2.7
177.01826	3.9
177.05447	1.6
187.03839	1.4
227.03482	20.8
228.03760	2.0
241.05061	1.6
243.02939	1.5
255.02968	38.4
256.03452	5.2
257.04486	2.5
284.03278	72.6
285.03961	30.9
286.04422	2.0
287.05740	1.7
289.07303	2.9
483.75836	1.5
527.49780	1.5
593.15143	100.0
594.15637	17.9
657.22729	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	656.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00883	0.3
61.98704	17.3
64.87825	0.3
65.00199	0.6
70.02788	0.9
70.03178	0.9
93.03335	0.5
98.19730	0.5
101.30906	0.4
105.51194	0.5
107.01263	1.4
117.03381	0.4
125.02396	0.7
135.00845	1.0
151.00290	2.3
159.04436	0.7
163.00273	1.7
165.39925	0.5
167.81575	0.4
178.99776	0.7
183.04416	0.7
185.06015	1.2
187.03952	1.2
189.05481	0.7
193.60088	0.4
197.06056	0.6
211.04004	1.4
213.05519	1.1
227.03448	15.4
228.03862	1.5
229.05032	6.4
230.05476	0.6
239.03285	0.5
241.05017	1.1
244.80757	0.5
255.02980	27.2
256.03464	3.6
257.04559	4.0
283.02618	0.6
284.03256	43.3
285.04013	60.8
286.04410	6.1
321.19949	0.5
481.43198	0.5
593.15094	100.0
594.15460	19.8
689.28357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30827	3.7
56.54115	4.3
57.03380	5.2
59.01249	18.5
61.19106	5.1
62.07917	4.0
62.18780	3.7
63.02244	4.4
65.00198	11.9
67.01748	4.9
67.39845	4.6
68.99682	3.9
70.40518	10.3
70.40869	7.1
71.01234	10.2
83.01264	10.4
85.02793	4.8
93.03358	7.5
95.01257	19.5
99.00777	17.1
107.01259	11.6
109.02853	37.9
111.00756	20.4
119.01321	4.9
119.04919	4.6
121.02913	10.1
123.00774	31.5
123.04397	4.8
124.01584	7.2
125.02301	20.9
127.00259	10.8
133.02809	13.9
135.00761	6.1
136.98779	7.4
137.02361	33.3
139.00278	35.5
141.01854	5.4
143.04926	6.3
145.02863	8.3
147.04404	6.2
148.01604	8.9
149.02365	13.3
151.00267	46.5
152.01053	5.9
153.01863	13.0
154.99770	43.5
159.04453	15.3
161.02380	20.2
161.06070	4.5
163.00304	18.4
163.03961	9.1
164.01080	10.3
164.98299	6.9
165.01854	26.8
165.99013	9.8
166.99759	41.6
168.00426	5.3
169.01353	15.3
171.04311	5.8
173.02390	11.4
174.03166	5.9
175.00267	8.3
175.03932	11.7
177.01874	29.7
178.99763	48.3
179.03429	8.4
181.01331	38.5
184.00050	4.8
185.02385	7.5
187.03938	19.6
189.01904	13.4
190.02603	5.6
190.99806	10.2
191.03421	10.0
192.00554	14.3
193.01355	16.5
194.99268	24.8
195.06505	7.3
197.00749	4.6
198.03102	5.1
199.03896	8.0
201.01906	14.2
202.02521	6.4
203.03465	27.4
205.01393	16.8
205.07233	4.5
206.99255	8.0
208.00032	6.6
209.00783	8.2
213.01843	13.7
214.02585	7.5
215.03499	26.9
217.01524	7.1
218.02060	6.2
219.02998	13.2
222.98892	5.0
223.02390	5.7
225.07608	12.2
227.03415	8.0
229.01451	8.7
230.02124	10.5
231.02951	26.8
232.00078	6.2
232.03630	7.2
233.00941	8.7
233.04488	8.3
241.01369	10.2
242.02251	11.4
243.02882	29.8
244.03593	5.5
245.01018	6.6
246.01773	5.6
247.02472	8.2
248.03157	8.8
249.04028	5.4
255.02881	7.5
257.00720	8.6
258.01620	8.3
259.02475	42.9
260.03030	7.0
261.03915	7.9
269.01010	6.6
269.04761	5.7
271.02426	22.0
272.03058	5.6
273.04340	4.8
274.00977	7.9
275.02118	21.0
276.02603	5.6
277.03387	5.6
285.00452	12.6
286.01157	10.3
287.02014	100.0
288.02371	7.7
289.07294	5.3
299.01999	12.3
300.02747	20.7
301.03549	18.9
303.01498	24.5
304.02173	10.7
305.02957	14.6
312.99936	14.8
315.01425	49.7
316.02090	9.7
317.03067	10.9
330.00137	5.0
331.00900	81.7
332.01361	8.0
333.02478	9.2
349.01828	6.1
360.37152	5.0
449.89417	4.7
463.08759	8.0
475.14871	5.2
481.67618	4.7
489.12439	14.1
501.12341	21.4
517.12274	12.3
521.11212	30.3
567.14026	5.6
583.13043	18.1
585.14996	10.1
595.13739	5.8
609.14801	14.1
613.14264	15.0
624.13403	18.6
627.16083	6.7
639.12445	26.7
640.12933	7.4
657.13232	57.5
658.14026	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	657.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13212	0.5
59.01248	0.7
61.98706	3.4
62.99718	0.6
69.61786	3.4
78.95777	4.4
94.16328	0.5
94.56033	0.6
101.16354	0.6
107.04910	1.9
113.09600	0.6
125.02328	1.8
135.04419	42.5
136.04788	1.7
137.02380	0.7
152.99475	2.7
154.35953	0.5
159.04416	1.1
160.05283	1.2
171.08078	0.9
174.06781	14.9
175.07599	3.6
176.08228	0.6
188.08319	2.0
189.09160	4.0
209.11761	1.6
211.13300	0.8
215.07214	0.6
239.01570	0.5
240.93753	0.5
249.64265	0.6
257.15460	2.5
258.16245	100.0
259.16574	10.0
273.18619	26.9
274.19016	2.2
277.21716	0.8
293.21283	1.9
299.16507	1.5
310.52109	0.6
317.17584	45.9
318.17841	6.5
339.15695	5.9
357.15744	0.9
372.96652	0.6
657.34131	10.6
657.44354	0.8
658.34436	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	657.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47217	0.2
57.03332	0.4
59.01254	3.2
59.32050	0.2
59.94146	0.2
61.61367	0.2
61.98699	0.7
64.54842	0.2
69.03325	0.5
71.01260	2.6
71.25414	0.3
71.72218	0.2
72.99170	0.2
73.02807	0.5
80.02550	0.6
81.03330	0.9
83.01253	0.6
83.04895	3.1
84.02030	0.4
85.02827	0.6
87.00771	0.7
89.02306	1.6
95.04914	0.4
97.02837	0.3
101.02312	2.5
111.04359	0.3
113.02318	1.5
119.03378	0.6
123.04416	0.3
125.02320	1.1
125.05940	0.3
135.08099	0.5
145.04996	0.4
149.04439	0.2
161.04501	1.4
163.11214	2.2
164.11493	0.3
165.12796	2.4
167.10709	0.3
167.14325	0.5
171.10207	1.6
179.05600	0.3
181.12267	0.4
183.13832	7.1
184.14191	0.5
191.10713	0.4
193.12299	1.4
209.11778	73.6
210.12134	4.5
211.13341	100.0
212.13670	7.1
227.12849	10.9
227.15128	0.4
228.13252	0.6
235.08206	3.2
249.14897	1.5
253.09268	8.3
285.04053	0.3
385.23749	0.5
403.24988	0.7
420.04117	0.2
445.20731	0.9
447.22372	4.2
448.22809	0.5
621.33313	0.6
639.33984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51372	0.2
55.01767	0.2
55.95872	0.2
57.03310	0.3
59.01247	3.3
61.98690	0.8
63.16410	0.2
69.03308	0.4
70.30588	0.7
71.01249	2.9
73.02809	0.6
80.02545	1.0
81.03329	1.0
83.01287	0.4
83.04893	4.0
84.02026	0.6
85.02837	0.9
87.00752	0.5
89.02310	2.0
95.01243	0.3
95.04900	0.6
96.33804	0.2
97.02843	0.2
97.06445	0.2
98.20523	0.2
98.75716	0.2
101.02322	3.1
111.08043	0.2
113.02335	1.7
119.03370	0.7
123.04403	0.2
125.02315	1.0
125.05989	0.5
127.91529	0.2
135.08037	0.7
143.03358	0.3
145.04973	0.5
161.04424	1.4
163.11188	2.7
164.11548	0.4
165.12759	2.3
167.10732	0.2
167.14331	0.3
171.10150	1.7
179.05536	0.3
181.12163	0.5
183.12189	0.4
183.13815	6.2
184.14128	0.3
191.10707	0.6
193.12241	1.5
209.11765	79.1
210.12102	6.1
210.13664	0.1
211.13327	100.0
212.13663	6.6
227.12836	11.2
227.15134	0.4
228.13156	1.0
235.08197	3.0
236.08578	0.2
249.14966	1.6
251.66759	0.2
253.09245	9.3
254.09544	0.4
274.34976	0.2
385.23938	0.4
403.24948	0.6
429.20865	0.2
445.20575	0.6
447.22388	3.3
448.22543	0.6
531.38751	0.2
621.32678	0.7
639.33887	0.7
657.42902	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82342	0.5
57.03318	0.5
57.68242	0.5
59.01259	4.3
60.87436	0.6
61.98705	8.8
69.03339	0.8
70.45685	1.1
70.46043	1.1
71.01263	4.6
72.91905	0.5
81.03316	1.8
83.01263	0.9
83.04887	2.2
85.02194	0.4
85.02369	0.5
85.02824	4.0
87.00731	0.7
88.98682	1.6
89.02348	1.1
93.03329	1.9
95.01263	2.3
99.00744	1.0
101.02325	2.4
107.04955	0.9
108.02058	66.9
109.02855	36.3
109.03958	0.9
110.03155	0.9
113.02324	1.4
119.04906	0.6
121.02823	0.8
123.00810	2.6
123.04397	3.9
124.04739	0.7
125.02338	1.5
133.02837	0.6
137.02316	3.3
137.05971	0.7
137.42833	0.6
138.01816	0.6
139.03932	1.0
149.02344	1.0
150.03192	0.9
150.06795	0.8
151.00259	0.8
151.03920	1.9
151.31155	0.6
152.01067	56.4
153.01871	18.6
153.05481	8.2
154.02275	0.7
161.02243	0.6
161.04430	1.3
163.03920	1.5
163.11227	1.2
165.01825	1.2
165.05420	0.7
165.12799	0.9
171.10155	0.6
174.86607	0.6
193.05023	0.7
209.11787	23.4
210.12132	11.2
211.13608	7.6
227.12857	2.2
229.13411	0.7
235.08252	1.0
253.09193	1.6
313.23956	1.4
346.99451	0.6
357.26398	0.8
359.28015	24.5
360.28308	2.5
373.25830	0.7
375.27408	0.6
465.28482	1.8
495.36411	0.6
639.33368	1.3
657.34906	100.0
658.35211	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	657.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62619	0.4
57.03314	1.6
58.00455	0.6
59.01253	4.4
61.98706	26.2
63.02282	0.9
65.00214	0.5
66.47460	0.4
69.34991	3.7
71.00967	0.5
71.01263	6.5
72.99165	0.7
75.00725	0.7
83.01230	0.8
83.04869	0.7
85.02815	1.9
87.04401	0.5
88.98676	0.8
89.02315	1.8
93.03323	0.8
95.01263	1.0
96.95865	0.5
97.02821	1.1
97.06487	0.6
99.00747	0.8
101.02324	4.6
108.01980	0.6
109.02839	2.1
111.00774	0.6
111.04424	0.5
113.02338	4.9
117.03384	0.8
118.48965	0.5
119.03368	0.7
119.04940	2.5
121.02808	0.5
121.06532	0.9
122.03651	0.8
123.00777	0.8
123.04402	1.9
123.08025	0.5
124.01565	48.5
125.02316	1.8
125.09600	1.8
125.64050	0.6
127.11169	1.1
135.04396	0.9
135.08018	0.5
136.05203	15.7
137.02362	2.6
137.09579	1.0
139.03918	63.9
139.11110	0.6
140.01120	0.6
140.04236	2.2
141.09125	0.5
143.03389	0.7
145.02881	1.9
147.07996	0.5
149.02301	0.8
149.06007	3.2
150.03108	0.6
150.06772	6.6
151.03899	1.1
152.04747	0.7
153.01833	1.7
155.10686	1.3
157.12167	0.5
159.04416	0.5
160.01651	0.6
160.05212	0.6
161.02345	0.9
161.04472	3.4
161.05756	0.6
162.06726	0.7
163.03903	2.2
163.07616	0.6
164.01083	0.8
164.04633	0.9
164.08295	1.1
165.01862	1.8
165.05547	0.6
165.09151	11.3
166.02808	0.4
166.09517	0.6
167.03381	0.8
167.07040	2.0
169.12265	1.5
171.10216	5.0
175.03908	1.0
177.01874	0.5
179.03445	0.6
179.05556	0.5
179.06976	0.5
179.10719	1.1
181.04912	0.8
181.12291	0.5
183.13789	0.7
185.11771	1.4
197.11800	0.7
201.11343	1.0
205.05191	0.7
209.11797	3.5
210.12086	0.6
211.13344	3.6
215.12866	1.7
229.14461	1.1
265.35028	0.6
271.02490	0.6
271.06168	0.6
284.03433	0.5
285.03955	0.7
289.07266	0.9
299.11453	1.3
300.02689	0.8
301.03290	0.7
301.09473	1.9
311.22345	0.5
313.23953	0.7
325.23846	1.4
327.21756	1.7
329.13965	0.8
329.23331	7.2
330.23654	1.0
337.23993	0.8
343.24875	3.9
355.24896	11.8
356.25323	1.5
357.26630	1.0
371.24307	1.2
373.25949	100.0
374.26279	11.8
375.27524	7.4
376.28043	0.5
387.27753	0.8
415.27075	1.3
448.10413	0.7
449.33075	0.6
469.28098	1.4
477.32385	1.7
494.32550	1.3
495.20618	2.6
495.33276	8.8
496.20438	0.7
496.33685	1.5
517.30560	1.4
558.06793	0.5
594.13977	1.5
657.25464	1.4
657.38434	29.8
658.38635	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	657.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28687	0.1
58.13465	0.1
59.01252	0.7
59.66610	0.1
61.98703	2.1
71.01264	0.7
81.03323	0.2
83.04892	0.2
84.67058	0.1
85.02837	0.2
87.00787	0.1
89.02335	0.2
93.03328	0.5
95.04906	0.9
98.19806	0.4
101.02335	0.4
102.36549	0.1
105.03342	0.3
108.02080	0.4
112.89768	0.1
113.02335	0.3
119.04900	0.2
121.02835	0.4
122.03638	1.0
123.04413	78.5
124.01520	0.2
124.03909	0.2
124.04745	2.7
125.02354	0.2
137.02321	0.2
138.01865	0.2
139.03859	0.2
153.05484	100.0
154.05815	4.1
161.04448	0.6
181.04967	0.2
197.54095	0.1
209.11780	3.1
210.12137	0.3
211.13356	2.5
212.13696	0.1
218.63965	0.1
221.28290	0.1
227.12868	0.4
228.13168	0.1
253.09305	0.3
297.09708	0.4
313.23672	0.2
315.10995	0.9
341.26788	0.6
357.26273	0.2
359.28021	9.7
360.28397	0.8
373.25848	0.3
375.27411	0.3
401.28702	0.2
417.15851	0.2
455.30121	0.2
495.36795	0.4
503.32388	0.4
582.35156	0.2
613.39679	0.1
657.38727	3.5
658.38928	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13261	0.9
55.16514	0.9
57.03309	1.4
58.00451	1.1
59.01253	44.7
60.04896	0.9
61.98702	18.7
65.70373	0.9
69.03342	1.4
69.35406	7.5
71.01250	17.0
72.99203	1.6
73.02811	4.0
75.00746	1.4
75.52000	1.0
79.91769	0.9
81.03338	2.0
83.01248	3.3
83.04897	5.4
84.02013	1.5
85.02834	4.8
87.00744	2.8
88.98701	0.9
89.02325	12.9
95.01293	1.8
99.00758	1.2
101.02315	15.6
102.02657	0.9
106.39370	1.1
108.02082	1.1
109.02883	1.0
109.06477	1.2
113.02364	6.5
113.34143	0.9
119.03397	3.1
121.02871	3.1
123.04398	1.9
125.02325	4.8
130.19614	0.9
135.08017	1.2
137.02350	1.8
149.02361	1.0
151.03859	1.4
151.11241	0.9
153.05461	1.0
161.02318	1.1
161.04448	2.7
162.06828	1.2
163.11194	3.7
165.01874	1.1
165.05540	1.5
165.12801	1.7
169.12254	4.3
171.10225	3.1
177.09261	1.5
181.12383	1.4
183.13840	6.3
188.36224	1.1
191.10901	1.0
193.12224	2.6
199.13338	1.5
207.10168	1.3
209.04472	1.6
209.11777	97.1
210.12108	6.4
211.13341	100.0
212.13731	7.8
225.11183	2.1
227.12830	16.7
235.08167	3.3
249.14821	2.6
253.09277	11.7
289.07071	1.2
343.11948	1.7
347.14807	9.2
403.24747	1.8
435.34854	1.4
447.22244	2.5
465.28470	1.1
495.36508	1.3
613.39600	1.7
621.33148	1.6
622.32727	1.0
657.31824	5.1
657.42181	81.7
658.42743	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	657.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.4
57.03316	2.1
58.00462	0.9
59.01252	45.6
60.01577	0.6
61.98702	6.1
69.03316	0.8
69.40240	1.0
69.40646	2.5
71.01255	14.7
71.04896	0.6
72.99187	1.1
78.00565	0.5
80.02543	1.0
80.73206	0.5
81.03332	1.8
81.85055	0.6
83.01263	4.1
83.04903	4.7
84.02049	0.6
85.02824	6.3
85.99960	1.0
87.00745	2.4
89.02321	6.3
92.89396	0.4
95.01264	1.8
97.02821	0.6
98.19762	1.0
99.00751	2.2
101.02328	15.2
109.02868	0.7
111.00790	1.2
113.02325	6.0
115.07533	0.6
119.03398	2.0
121.02837	1.8
123.04388	1.6
125.02341	4.3
128.93077	0.4
129.01836	0.5
135.08093	0.7
137.02328	0.8
151.03952	1.0
153.05461	0.9
159.02907	0.5
161.02374	1.1
161.04439	2.1
163.11217	4.0
165.01855	0.6
165.12744	2.3
171.10223	2.3
177.01753	0.6
177.09125	0.9
179.05605	0.6
181.12326	0.6
183.13837	6.9
191.10719	1.5
193.12288	1.7
199.13339	1.0
209.11778	100.0
210.12117	8.6
211.13345	95.1
212.13669	7.2
227.10742	1.0
227.12865	15.7
227.15094	0.9
228.13150	1.1
235.08168	2.1
236.57152	0.5
249.14960	2.0
253.09256	8.8
254.09538	0.7
283.10355	0.5
289.07040	0.9
313.25452	0.6
385.23804	0.9
403.24777	0.8
407.07581	0.6
421.25793	0.8
435.34491	1.2
445.20709	1.3
446.20807	0.5
447.22293	3.3
463.21790	0.9
477.35968	0.9
525.21869	0.5
533.34985	0.5
595.42090	0.7
597.40253	3.7
598.39825	0.7
621.32959	0.5
639.33496	0.7
645.60034	0.6
657.42236	89.9
658.42572	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	657.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.4
57.03316	2.1
58.00462	0.9
59.01252	45.6
60.01577	0.6
61.98702	6.1
69.03316	0.8
69.40240	1.0
69.40646	2.5
71.01255	14.7
71.04896	0.6
72.99187	1.1
78.00565	0.5
80.02543	1.0
80.73206	0.5
81.03332	1.8
81.85055	0.6
83.01263	4.1
83.04903	4.7
84.02049	0.6
85.02824	6.3
85.99960	1.0
87.00745	2.4
89.02321	6.3
92.89396	0.4
95.01264	1.8
97.02821	0.6
98.19762	1.0
99.00751	2.2
101.02328	15.2
109.02868	0.7
111.00790	1.2
113.02325	6.0
115.07533	0.6
119.03398	2.0
121.02837	1.8
123.04388	1.6
125.02341	4.3
128.93077	0.4
129.01836	0.5
135.08093	0.7
137.02328	0.8
151.03952	1.0
153.05461	0.9
159.02907	0.5
161.02374	1.1
161.04439	2.1
163.11217	4.0
165.01855	0.6
165.12744	2.3
171.10223	2.3
177.01753	0.6
177.09125	0.9
179.05605	0.6
181.12326	0.6
183.13837	6.9
191.10719	1.5
193.12288	1.7
199.13339	1.0
209.11778	100.0
210.12117	8.6
211.13345	95.1
212.13669	7.2
227.10742	1.0
227.12865	15.7
227.15094	0.9
228.13150	1.1
235.08168	2.1
236.57152	0.5
249.14960	2.0
253.09256	8.8
254.09538	0.7
283.10355	0.5
289.07040	0.9
313.25452	0.6
385.23804	0.9
403.24777	0.8
407.07581	0.6
421.25793	0.8
435.34491	1.2
445.20709	1.3
446.20807	0.5
447.22293	3.3
463.21790	0.9
477.35968	0.9
525.21869	0.5
533.34985	0.5
595.42090	0.7
597.40253	3.7
598.39825	0.7
621.32959	0.5
639.33496	0.7
645.60034	0.6
657.42236	89.9
658.42572	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	659.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.1
59.01249	3.9
61.98707	24.6
63.91909	0.5
67.01762	0.6
69.03325	1.4
71.01247	3.3
71.04889	1.7
73.02802	0.7
75.00762	0.6
81.03326	2.2
83.01266	4.3
85.02840	1.0
88.98698	0.6
89.02312	1.4
93.03311	2.8
95.01247	2.2
95.04903	2.4
96.95868	0.8
97.02831	7.4
99.00745	0.8
99.58334	0.6
101.02318	1.8
105.03325	1.2
107.04905	1.6
108.02056	1.5
109.02840	32.1
110.03143	1.0
111.00721	0.6
111.04329	0.7
113.02334	1.7
117.03330	0.6
119.03329	0.6
119.04921	1.6
121.02853	8.1
122.03683	3.3
123.00800	2.2
123.04416	18.1
124.01576	6.1
124.04749	1.2
125.02344	13.2
133.02809	1.3
135.04416	3.7
136.05208	0.8
137.02350	29.3
137.05930	1.1
138.03081	1.8
139.00293	0.8
139.03912	19.1
140.04239	0.6
143.03349	0.7
143.36038	0.7
145.02834	2.1
146.03659	1.5
147.04419	4.3
149.01218	1.1
149.02359	19.1
150.03156	2.7
151.03922	17.9
152.04259	1.0
153.05463	1.0
154.02608	0.7
159.04469	3.4
160.05206	1.5
161.02368	7.2
161.04527	1.2
161.05981	4.1
162.03125	2.4
162.04626	0.6
163.03925	4.3
164.01062	3.7
165.01852	10.1
165.05446	1.5
166.02634	1.2
167.03419	2.0
173.02396	1.5
173.05952	1.2
174.03117	1.1
175.03934	3.9
175.07462	1.5
176.01126	3.3
177.01860	4.4
177.05489	1.2
178.02618	3.7
179.03427	9.4
181.04990	1.2
183.13702	0.7
185.06049	0.7
187.03905	4.4
187.07556	0.7
188.04706	3.0
189.01920	1.2
189.05309	0.7
190.02625	3.9
191.03444	12.4
192.04132	1.8
197.06029	3.3
199.49081	0.6
201.05554	1.0
202.06294	1.5
203.03410	1.7
203.07066	9.5
204.04147	2.3
205.05006	16.9
206.05734	3.3
209.11760	1.6
210.03030	0.6
212.04723	0.7
213.05515	7.4
214.06067	1.0
215.07079	37.7
216.03947	0.5
216.07407	2.4
217.04996	0.7
219.06546	3.4
221.08127	2.0
227.07147	2.3
231.02802	0.9
233.08148	1.3
239.07098	1.4
241.05125	0.8
245.08167	10.6
246.08511	0.7
247.05989	1.3
255.02766	0.7
255.06625	1.3
257.08197	11.8
258.08704	1.2
281.04456	0.6
283.05960	1.3
289.07190	59.6
290.07581	3.9
301.07166	100.0
302.07486	9.5
329.23508	0.8
357.13464	4.5
357.26431	2.4
373.25842	3.2
374.26260	3.5
375.27426	11.5
376.27817	2.3
396.22244	0.7
484.09732	0.6
496.33441	0.7
566.33038	2.4
615.21735	0.6
629.19653	0.8
659.20715	18.3
659.36584	2.5
660.21503	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	659.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23143	0.5
55.01775	0.8
57.03320	1.3
59.01252	10.7
61.98702	1.9
63.53173	0.5
66.11628	0.5
69.03328	1.0
69.39776	3.6
69.40191	0.9
70.50272	0.6
71.01252	6.9
72.99184	0.8
81.03329	0.6
83.01261	4.3
85.02843	1.4
89.02319	3.2
89.35671	0.5
93.03355	3.8
95.01270	1.9
95.04896	0.9
97.02840	3.3
101.02328	4.1
108.02084	1.8
108.83366	0.6
109.02847	9.3
111.00786	0.7
113.02317	1.9
117.03363	0.9
119.03394	1.2
121.02848	5.4
122.03644	8.7
123.00815	1.4
123.04428	9.2
124.01547	2.1
125.02361	3.7
134.03621	0.9
135.04433	2.4
136.01573	1.2
137.02347	25.0
138.03075	2.0
139.03905	2.1
141.42601	0.6
145.02855	2.0
146.03648	1.1
147.04471	0.8
149.02367	3.2
149.06050	0.7
150.03157	3.4
151.03960	4.3
153.01845	1.9
154.02618	2.0
159.04401	2.6
160.01576	0.8
161.02345	2.3
161.04758	0.6
161.06010	3.8
162.03181	1.1
163.00258	0.9
163.03914	1.7
164.01059	3.8
164.04596	0.7
165.01855	34.1
165.05521	2.9
166.02184	1.7
167.03416	2.4
175.03928	2.2
175.07553	0.6
176.04732	0.7
177.01788	0.6
177.05475	2.0
179.03421	4.5
187.03917	2.3
188.04756	1.4
191.03497	1.0
195.02910	0.6
201.05457	1.2
202.06300	1.4
203.07089	6.5
204.04228	0.8
205.05054	9.6
231.03036	1.2
244.07372	1.3
245.08189	0.9
247.06134	2.3
288.06393	2.7
289.07092	1.4
311.07721	6.2
347.14929	7.3
411.21561	0.7
435.21783	1.9
479.20837	4.5
480.21637	1.0
486.12177	0.7
495.22504	1.2
497.21362	1.6
507.22327	3.9
508.22763	1.2
517.16931	0.7
615.28082	2.1
659.27106	100.0
660.16150	1.0
660.27429	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.6
59.01251	8.6
61.98706	7.7
69.03346	0.7
69.66382	1.2
69.66783	1.8
70.81123	0.5
71.01257	5.6
72.99174	1.0
73.02830	1.8
75.00744	1.1
80.02565	1.5
80.96411	0.7
81.03339	2.4
83.01266	1.0
83.04893	6.3
84.02054	2.1
85.02844	3.3
87.00764	2.2
87.42662	0.5
89.02315	4.5
93.03374	0.7
93.31291	0.5
95.01270	0.9
95.04897	1.9
96.95928	0.6
97.06481	5.5
99.00777	0.5
101.02325	6.8
109.06512	0.7
110.15482	0.6
113.02335	3.6
114.05482	0.5
116.23218	0.5
119.03423	0.8
121.02858	0.6
123.04422	2.5
125.02346	1.5
125.05985	1.1
125.09636	1.3
135.08073	1.3
137.02365	0.7
138.01868	2.1
140.01067	0.8
143.03387	0.7
145.04903	0.9
149.09663	0.9
151.11198	19.4
152.11595	1.1
153.05467	3.0
154.05811	1.4
155.03409	0.7
161.04480	2.2
163.11189	4.8
165.12762	2.7
169.12265	84.2
170.12621	4.3
179.05525	0.9
181.12392	0.8
190.02667	0.5
191.10704	0.8
193.12263	0.5
195.10155	4.0
197.11868	0.7
199.13268	0.7
209.11780	83.7
210.12106	5.6
211.13284	1.0
213.11290	14.5
214.11551	0.6
227.12868	9.7
235.08176	2.2
241.80060	0.6
253.09244	6.3
289.07285	0.6
317.82404	0.5
359.27579	0.6
389.10986	0.6
431.19052	3.4
432.43198	0.5
449.20279	9.5
450.20862	0.8
471.15445	1.0
497.27609	0.9
538.71967	0.5
615.40826	0.5
641.31567	3.5
659.32837	100.0
660.22412	1.1
660.33252	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47520	0.7
50.50366	0.9
59.01252	8.2
59.11389	0.7
60.42766	0.8
61.98704	7.8
69.82805	4.0
71.01245	5.1
73.02824	2.3
74.51133	0.8
74.91592	0.8
81.47968	0.9
83.01289	0.9
83.04893	0.8
85.02836	1.6
87.00743	1.3
89.02320	3.0
89.34552	0.7
91.71146	1.0
98.20473	1.0
101.02309	4.6
106.80705	0.9
113.02305	2.3
125.02335	1.5
136.75063	0.8
138.10620	0.7
151.32582	0.7
161.04448	1.5
165.12779	7.1
182.44420	0.8
183.13840	100.0
184.14195	4.6
187.04103	0.9
195.13853	11.6
209.11815	4.0
211.13293	3.9
213.14925	74.0
214.15210	4.5
227.12849	6.1
235.08238	2.5
253.09286	6.8
285.04004	1.5
445.20996	1.6
463.21817	3.8
539.70740	0.9
659.36481	79.3
660.36810	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	659.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71865	0.3
57.03315	1.5
59.01254	3.1
61.98706	9.2
63.02277	0.7
71.01257	5.8
71.04874	0.3
71.54851	0.5
73.02837	1.8
83.01274	0.8
83.04916	0.6
85.02816	1.9
87.00789	0.4
87.04395	0.5
89.02316	1.2
93.03351	1.4
95.01275	0.5
95.04929	0.4
96.95867	0.6
97.02832	0.9
97.06462	0.4
99.00772	0.5
99.04411	0.4
101.02331	2.7
108.02065	0.5
109.02850	1.0
111.04403	0.4
111.08110	0.4
113.02343	3.0
119.03428	0.5
119.04917	0.4
121.02851	0.4
122.03680	0.4
123.00751	0.5
123.04399	1.2
123.08044	0.8
124.01566	39.5
125.02464	2.3
125.05922	0.3
127.03912	0.9
134.03705	0.4
135.04443	0.4
137.02365	3.6
137.09657	0.4
139.03923	52.2
139.11191	0.4
140.04260	1.8
141.12773	0.3
143.03424	0.5
149.02333	0.4
151.03931	1.0
152.04681	0.4
155.10796	0.3
157.12250	1.2
161.02422	0.6
161.04482	2.4
165.01910	0.6
165.05540	0.6
167.07047	0.8
169.12242	0.5
171.10191	0.9
179.05379	0.3
185.11789	1.7
191.03365	0.4
195.10152	0.5
205.05032	0.6
209.11722	1.8
215.07076	0.7
215.12854	0.9
227.12852	0.4
229.05013	0.4
289.07269	1.7
293.21100	0.4
301.07126	1.5
301.09805	0.6
311.22275	0.6
327.21649	0.5
327.25577	0.4
329.23291	2.2
339.25525	0.4
357.26477	10.0
358.26819	1.4
373.26044	1.5
374.26248	0.4
375.27515	100.0
376.27856	11.4
376.32681	0.3
377.28125	0.8
389.29166	1.1
417.28394	1.8
471.29486	1.2
497.31369	1.0
519.31824	1.1
520.32104	0.5
615.38214	0.8
659.26141	0.9
659.36542	9.9
660.37408	1.5
660.50812	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01587	0.8
60.18743	0.6
61.98714	1.2
78.95799	2.1
94.21246	0.7
95.54225	0.7
112.65087	0.6
120.34653	0.6
152.99493	1.4
279.23349	1.4
305.27997	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	3.9
59.01235	0.8
62.86897	0.8
81.03332	3.6
83.01265	2.7
84.01704	0.8
85.02830	1.0
93.03356	2.0
95.04904	3.1
97.02837	6.6
99.04380	0.9
109.02840	21.1
121.02850	2.7
122.03596	0.8
123.04404	15.4
125.02333	17.5
125.67525	0.7
135.04431	2.2
137.02347	8.7
139.03925	3.7
140.56580	0.8
145.02876	1.2
146.03647	1.3
149.02339	4.0
150.03123	3.0
151.03938	7.2
159.04401	2.8
161.02367	2.0
161.05995	4.6
162.03151	1.0
163.03990	1.1
164.01038	2.9
165.01787	4.7
167.03406	1.4
173.05998	1.6
175.03932	2.5
175.07533	0.8
179.03407	5.2
185.05974	1.0
187.03931	3.8
187.13675	0.7
188.04695	2.9
191.05533	1.6
199.07603	0.8
201.05531	0.7
202.06314	2.1
203.07057	11.8
205.05013	5.7
221.08112	2.5
227.07133	1.6
230.05751	0.9
245.08156	17.6
246.08534	1.3
247.06126	1.1
276.74802	0.8
289.07190	100.0
290.07452	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	664.319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34389	0.2
59.01260	0.3
61.98706	100.0
69.96712	0.9
69.97085	0.4
77.22878	0.2
80.96381	0.2
108.06142	0.2
125.02361	0.4
128.57289	0.2
129.18417	0.2
136.05214	0.2
143.21326	0.2
184.14929	0.3
209.11797	0.2
341.76532	0.2
579.27142	1.1
628.21527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82217	0.2
57.03314	0.5
59.01247	1.6
59.53370	0.2
61.98708	6.8
69.32688	0.5
69.33101	1.6
70.25783	0.2
70.96918	0.2
71.01259	2.3
72.99169	0.2
73.02793	0.6
83.01238	0.5
85.02823	1.2
87.00747	0.6
89.02307	0.7
93.03347	0.7
96.95900	0.6
97.02832	0.3
98.20557	0.3
99.00755	0.4
99.92486	0.4
101.02321	1.3
108.02065	0.6
109.02852	1.4
113.02338	0.9
116.92764	0.5
117.03356	30.0
118.03658	1.3
119.04924	14.4
120.05241	0.4
121.02823	1.4
122.03615	0.8
122.93055	0.2
123.04435	1.3
124.01565	0.3
125.02316	0.7
133.06419	0.4
134.03693	0.4
135.04405	0.5
136.01569	15.7
136.68144	0.3
137.02425	2.0
145.02861	100.0
146.03192	4.5
147.04396	0.6
151.03920	15.5
152.04247	0.7
153.05429	0.5
159.04416	1.1
160.01624	0.4
160.05199	0.4
161.02353	0.5
161.04575	0.4
161.05992	1.4
162.03085	0.2
163.03925	10.2
164.04282	0.7
171.04498	0.3
173.06000	0.6
174.03238	0.2
175.03911	1.6
175.07553	0.3
176.04683	1.1
177.05469	0.5
187.04037	1.3
189.05484	0.7
190.06107	0.3
191.07050	1.3
193.05002	0.4
203.07077	0.6
205.05019	0.9
217.05109	0.2
233.08499	1.6
247.06158	0.5
251.07201	0.3
276.54596	0.2
279.06607	0.7
280.07266	0.3
289.07217	0.5
293.08188	0.3
294.09088	0.4
295.09665	0.3
305.08588	0.4
307.08240	47.0
308.08563	4.1
312.09991	0.8
313.10724	1.4
323.09302	1.7
327.12350	3.5
328.12674	0.4
338.11581	0.7
339.12399	0.4
342.11069	0.5
343.11874	12.9
344.12225	1.3
353.13895	2.7
354.14417	0.3
355.24774	0.4
357.13477	3.2
358.14032	0.3
373.25900	0.7
375.27490	0.3
487.15793	0.4
603.24384	0.8
635.21411	1.0
665.22485	25.7
665.35565	2.0
666.22614	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	665.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56572	0.4
55.01748	0.5
57.03319	0.9
59.01258	4.6
60.99192	0.4
61.98702	24.0
71.01250	4.0
72.01625	0.5
72.99178	0.4
73.02835	1.2
75.00761	0.6
78.95777	0.5
83.01254	3.3
84.13574	0.5
85.02834	2.4
87.81582	0.4
88.98683	1.3
89.02338	1.2
93.03340	1.1
95.01270	0.6
96.95900	3.6
96.96877	0.4
98.19804	0.9
99.00767	0.7
101.02338	1.7
109.02849	1.4
113.02333	1.7
113.25596	0.4
115.56519	0.4
116.92774	0.7
117.03352	31.7
118.03694	1.3
119.04920	15.7
120.05305	0.7
121.02857	2.2
122.03637	1.6
123.04409	3.3
124.01546	0.6
125.02338	2.0
134.03665	0.9
135.04388	0.6
136.01566	14.3
137.02359	2.6
137.05957	0.5
143.03300	0.5
145.02856	100.0
146.03195	4.8
147.04393	1.0
149.02393	0.6
149.05951	0.7
151.03918	14.2
152.04297	0.5
153.05484	1.8
156.98718	0.4
159.04424	1.3
160.01530	1.1
160.05154	0.7
161.02350	1.3
161.04459	0.7
161.05965	1.8
163.03912	10.9
164.01097	0.5
164.04356	0.5
165.01878	0.7
166.06285	0.4
175.03946	1.7
175.07497	0.5
176.04663	1.1
177.05435	0.8
179.03345	0.6
187.03943	1.8
189.05463	0.7
191.07091	1.5
193.05092	0.8
203.07088	0.6
205.04961	1.3
279.06628	0.6
284.03305	0.5
285.04022	0.7
289.07040	1.6
297.11243	0.5
307.08231	51.9
308.08572	4.5
312.09839	1.2
313.10745	0.8
327.12445	3.5
342.11005	1.2
343.07785	0.9
343.11835	12.6
344.12177	0.8
355.24924	1.1
357.13449	6.4
357.26404	1.3
359.27966	0.5
373.26160	0.6
390.40491	0.6
539.83362	0.5
549.26770	0.6
603.24493	0.6
635.21222	0.9
665.22235	20.7
665.36047	1.9
666.22601	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	665.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.8
59.01253	10.0
61.98705	44.9
65.73804	1.1
66.63183	1.2
69.44341	1.2
69.44685	8.3
71.01266	6.9
73.02824	2.0
75.00726	1.1
85.02825	3.0
87.00741	1.6
89.02315	4.9
93.03337	1.3
101.02351	7.3
110.24788	1.0
113.02325	2.4
117.03354	34.1
117.20737	1.3
118.03616	1.6
119.03374	1.3
119.04915	15.1
121.02851	1.6
123.04451	1.8
125.02330	3.6
133.79404	1.1
139.03909	1.8
145.02859	100.0
146.03189	4.5
149.02357	1.5
151.03894	1.8
163.03923	15.1
185.11705	2.0
207.73723	1.1
229.80615	1.6
289.07205	1.9
309.23984	1.5
311.25806	2.9
327.25504	5.1
339.25452	9.0
341.27023	17.5
357.26450	16.4
420.13895	1.2
501.30707	2.9
519.31757	86.6
520.32153	11.9
665.35492	56.3
666.35864	14.6
694.93671	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	666.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.7
62.15192	2.3
65.00189	6.2
65.99717	4.4
70.80490	2.4
71.01250	7.8
73.02798	5.0
83.01241	6.1
87.00768	5.0
93.03348	4.3
95.01246	4.2
98.93597	2.5
107.01263	8.8
109.02833	22.9
111.00746	5.3
118.02829	2.5
119.01295	3.5
121.02844	7.1
123.00775	6.0
123.04473	4.1
125.02338	6.8
130.02908	2.7
131.03416	2.5
133.02798	5.7
134.02374	9.7
135.00800	6.5
135.04404	3.6
137.02354	19.5
139.00296	5.7
139.03911	4.7
143.48502	2.4
146.02354	4.8
147.00761	6.1
147.04384	3.2
148.01572	34.2
149.02357	18.5
151.00307	20.0
151.03835	2.4
152.01059	4.0
158.02307	3.8
159.04431	3.1
160.91133	2.5
161.02330	5.4
162.01852	21.5
163.00322	13.2
163.02637	4.2
163.03889	8.2
164.01117	3.1
164.03421	15.4
165.01866	5.1
166.99698	3.0
171.04402	3.0
171.12488	2.8
175.00343	8.0
176.01015	5.1
177.01860	73.4
178.02148	3.8
178.99821	9.2
179.03416	4.2
181.01384	2.8
186.01901	18.3
187.03918	3.3
189.02029	4.3
190.01398	10.9
191.02023	16.6
191.03497	8.5
193.01379	4.7
196.16032	2.5
199.03914	6.7
201.05499	4.3
202.01363	8.7
202.99815	12.1
203.01852	5.2
203.03589	3.7
204.02957	63.7
205.01401	5.8
205.03218	5.0
211.04082	2.9
214.01317	5.6
215.03352	3.6
219.02963	2.5
227.03525	6.0
230.00900	21.6
233.04437	3.0
241.05025	4.3
242.02185	2.9
243.02951	15.5
247.01074	2.8
249.04172	3.0
255.03003	8.0
256.03531	3.1
257.04404	3.0
266.04602	3.3
269.04501	3.5
270.01666	3.1
271.02515	26.7
272.02951	7.3
273.04095	5.4
283.02451	6.3
284.03058	5.5
285.04068	11.2
287.01938	3.8
294.04190	14.4
295.02487	8.7
296.05634	6.1
299.01978	34.6
300.02615	10.5
301.03519	2.9
310.03595	9.1
312.02451	4.0
313.03528	20.7
314.03772	3.4
316.02130	10.8
317.02945	11.3
321.99951	3.3
322.03625	54.9
323.04019	10.1
324.05109	3.0
338.02994	2.6
339.03796	36.5
340.01138	5.0
340.04590	86.5
341.05084	8.4
357.04675	8.4
358.05682	9.2
475.14511	7.5
476.14545	3.1
489.12418	7.3
501.12451	26.8
502.12808	3.4
530.15161	83.7
531.15692	10.3
556.12994	69.5
557.05493	2.8
557.13562	11.0
581.15277	4.5
599.16541	5.2
621.15070	4.1
625.14301	13.2
626.14490	3.5
648.15649	90.9
649.15894	16.6
666.16730	100.0
667.16998	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	667.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
61.98697	2.0
71.54208	1.0
84.14767	0.9
87.41209	0.8
135.04414	0.8
193.37334	0.9
270.17374	0.8
343.55942	0.9
433.44052	1.0
698.20880	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.6
61.98707	4.5
63.02952	0.3
69.52470	1.4
71.01260	2.3
73.02818	0.5
73.51961	0.3
83.01275	0.3
85.02834	0.9
86.03683	0.3
87.00731	0.6
89.02328	0.4
89.03857	0.4
93.03370	0.6
95.01298	0.3
97.06466	0.3
101.02325	1.4
107.93920	0.3
109.02770	0.4
111.00790	0.8
113.02319	0.7
117.03350	30.5
118.03694	1.0
119.04916	14.5
120.05240	0.4
121.02837	2.0
122.03696	0.3
123.04420	1.1
125.02342	0.6
133.06490	0.3
135.04442	0.7
137.02324	0.6
143.04916	0.4
145.02856	100.0
146.03188	5.0
147.04408	1.2
149.02292	0.4
150.03152	1.2
151.03799	0.4
153.05495	0.7
158.03636	0.4
159.04430	1.9
160.05232	4.0
161.05971	2.3
162.68549	0.3
163.03926	12.8
164.04518	0.9
173.05978	0.7
175.03931	0.7
175.07573	3.0
177.05455	1.1
178.06282	1.0
178.99808	0.3
187.03906	1.3
192.07733	0.3
193.08600	0.3
204.00630	0.2
205.04927	0.8
212.04752	0.3
217.05095	0.4
223.52788	0.3
233.70296	0.3
240.04085	0.3
243.16293	0.3
247.05988	0.8
255.10094	0.3
269.08185	3.7
281.08170	0.7
283.09769	1.5
298.12033	0.4
299.09186	2.4
307.08224	45.4
308.08517	3.0
311.09250	3.4
312.09787	0.3
314.11575	4.8
315.12289	3.4
325.10706	0.6
326.11670	2.5
329.13931	10.2
330.14307	0.9
341.14001	2.0
345.13443	3.1
357.26520	0.3
375.27521	0.4
512.88000	0.3
586.40576	0.3
604.25153	0.6
619.11646	0.3
627.65710	0.4
667.23907	35.8
668.24146	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	667.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.4
58.36342	0.3
59.01246	2.4
59.20879	0.3
61.98706	5.7
71.01251	2.6
71.54831	0.3
72.10155	0.3
72.99165	0.4
73.02819	0.5
80.03087	0.3
83.01269	0.3
85.02843	1.0
87.00762	1.0
88.98689	0.4
89.02332	0.7
89.03870	0.4
93.03345	0.6
96.95831	0.5
100.76785	0.3
101.02329	1.2
109.02824	0.6
111.00780	0.4
113.02338	1.0
117.03352	27.1
118.03693	1.0
119.04920	12.8
120.05190	0.7
121.02857	2.0
122.03674	0.7
123.00757	0.4
123.04422	1.5
125.02318	0.9
131.04921	0.5
133.02795	0.3
133.06445	0.5
135.04384	0.6
137.02383	0.4
145.02856	100.0
146.03185	4.6
147.04410	0.9
149.02338	0.7
150.03142	1.8
151.03932	0.7
152.01024	0.4
153.05501	1.4
154.02538	0.3
155.10577	0.3
158.03621	1.1
159.04411	3.3
160.05206	6.9
161.06000	2.7
163.03920	15.0
164.04655	1.4
165.01801	0.4
166.06233	0.8
173.06010	0.9
175.03940	0.7
175.07559	6.6
176.04639	0.3
177.05473	2.1
178.06337	1.5
179.03410	0.4
181.08594	0.6
185.05925	0.4
187.03917	1.4
187.11284	0.5
189.09192	0.5
191.05476	0.5
193.08647	0.8
205.05011	1.1
205.12334	0.5
247.06085	0.7
269.08109	1.2
289.07135	0.3
299.09357	0.7
303.04987	0.4
307.08231	47.5
308.08572	4.4
311.09317	1.8
314.11557	2.5
315.12408	5.1
326.11423	1.0
327.12018	0.3
329.13934	11.1
330.14282	0.9
341.14069	0.7
345.13455	5.9
346.13779	0.5
373.25909	0.5
375.27365	0.8
489.17670	0.6
604.25403	0.6
667.23834	32.1
668.24097	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	667.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60259	0.3
54.97909	0.3
55.01744	0.6
56.30151	0.3
57.03328	0.8
59.01252	11.1
59.11401	0.3
61.98703	10.6
70.45984	0.4
70.46321	0.9
71.01254	8.5
72.99170	1.1
73.02831	2.5
75.00743	1.2
83.01256	1.5
85.02822	3.1
87.00748	0.9
89.02326	3.2
89.03833	0.5
93.03318	0.6
95.01260	0.7
99.00747	0.9
101.02326	6.2
109.02813	0.5
111.00814	0.8
111.04392	0.4
113.02322	3.1
117.03351	33.8
118.03684	1.1
119.03419	1.3
119.04919	12.8
120.05245	0.4
121.02841	1.5
122.13604	0.4
123.04446	2.0
125.02319	0.6
129.01892	0.5
133.06476	0.4
134.03564	0.4
135.04518	0.4
136.01537	0.6
143.03438	0.5
145.02861	100.0
146.03195	5.1
147.04424	0.4
149.05963	0.4
150.06764	1.0
151.03952	0.7
153.05492	1.4
156.20872	0.3
159.02927	0.4
159.04320	0.4
161.04408	0.7
161.05951	0.4
163.03937	11.5
164.04407	0.4
165.01836	0.4
165.05525	0.6
175.03918	0.5
177.01799	0.3
177.05557	1.6
179.05641	0.3
205.04951	0.8
209.63245	0.3
213.84883	0.3
265.07095	0.5
269.08185	0.7
277.45630	0.3
281.08243	0.9
283.09644	0.6
299.09409	0.6
307.08319	1.1
308.08609	0.7
311.09235	0.7
314.11649	0.6
315.12271	1.2
326.11481	0.7
327.12476	1.2
329.13870	0.7
339.25632	0.5
341.14075	0.5
357.26456	2.9
359.28281	0.9
459.16757	1.3
471.16861	1.2
476.16702	0.5
477.17761	0.5
487.33066	0.4
491.19205	2.7
503.19098	2.0
505.33798	2.9
531.19983	0.4
575.06000	0.4
637.22882	28.1
638.23218	4.6
649.22919	17.5
649.34735	0.6
650.23566	3.0
667.24719	1.6
667.38812	19.5
668.39001	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01480	0.4
57.03326	0.6
59.01249	2.7
61.98708	18.9
71.01246	1.7
71.54336	0.6
72.99192	0.5
75.00748	2.3
75.47874	0.4
83.01268	0.7
85.02812	0.9
88.98667	0.7
89.02327	0.7
92.30288	0.5
93.03356	1.4
95.00008	0.4
99.86456	0.4
101.02319	1.2
101.48787	0.5
106.83192	0.5
109.02889	0.7
117.03355	0.7
119.04921	100.0
120.05245	4.3
123.04427	2.8
125.02330	0.8
133.02856	0.8
137.02342	1.3
139.11218	0.8
145.02884	2.1
147.04482	1.0
151.03963	1.2
153.05478	2.3
161.02351	1.5
161.04404	0.7
163.03926	88.8
164.04259	3.9
165.05415	0.6
175.03931	0.5
193.05031	0.6
201.11383	1.0
212.46657	0.5
225.11394	0.5
295.52283	0.6
323.26508	0.5
343.28534	0.7
359.28073	2.3
360.28238	0.6
383.24252	0.5
385.26422	0.5
615.80878	0.6
667.37207	13.3
668.37354	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	669.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63542	0.5
57.03340	1.0
59.01245	5.7
61.96874	0.5
61.98701	6.7
65.00220	0.9
67.01794	0.9
71.01254	10.0
72.99243	0.7
73.02806	3.0
75.00783	1.3
81.03372	1.4
83.01268	3.2
85.02837	4.4
87.00800	1.6
88.98720	0.9
89.02322	3.3
91.01820	1.7
93.03395	1.0
95.01321	1.6
96.95876	0.6
99.00802	1.2
101.02325	6.6
107.01250	3.4
108.02049	7.4
109.02850	5.1
111.00799	1.5
113.02302	4.2
117.03355	3.0
119.04979	2.2
121.02855	4.0
122.03674	1.3
123.00793	5.1
123.04405	20.3
124.01588	0.8
125.02348	4.1
134.03679	2.3
135.04453	1.0
136.01559	26.0
137.02370	3.3
145.02866	9.0
145.03925	0.9
146.03694	1.4
147.04482	1.0
149.02406	2.0
150.03157	1.1
151.00272	11.5
151.01320	0.9
151.03915	30.7
152.01070	11.9
152.04285	0.9
153.01851	3.2
153.05479	9.9
159.04398	0.7
160.01619	2.2
160.05290	1.1
161.02371	1.3
161.04510	0.7
161.06020	1.6
162.03113	1.1
163.03911	4.1
164.04692	1.2
165.01866	0.9
166.02663	2.4
167.03415	40.2
168.03784	1.5
172.05119	0.8
175.03925	5.0
176.04694	5.1
177.01585	0.6
177.05537	2.2
178.99808	2.3
179.03479	1.2
179.07091	0.8
181.04993	1.6
187.03972	0.9
188.04668	1.0
189.05554	2.0
190.02725	2.0
190.06348	1.7
191.03426	0.9
191.07085	4.6
193.05040	2.1
195.02968	0.7
205.04993	3.6
223.06097	1.6
235.06023	1.7
265.07227	1.3
266.07608	0.6
267.06497	1.2
268.06985	0.7
269.08231	0.6
279.06668	2.4
289.07245	0.7
294.08997	1.9
296.05457	4.4
296.10626	0.8
297.11127	0.7
301.03546	11.0
302.04025	1.0
311.07715	100.0
312.07959	3.9
312.10519	1.8
313.10800	1.8
315.05164	1.0
327.12375	12.6
328.12796	1.6
341.26834	1.1
342.10834	0.8
343.11777	8.0
357.09451	0.7
357.13477	8.7
358.13632	1.1
359.27896	2.6
371.24200	1.6
373.29507	0.9
375.27429	0.6
489.18857	1.9
501.18869	2.5
506.34259	0.7
507.20523	0.6
639.23059	2.1
668.39697	4.4
669.21613	20.9
669.37659	6.4
670.21631	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	669.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.4
59.01256	1.3
60.88044	0.4
61.98703	1.9
69.37346	1.4
69.37757	1.8
71.01274	2.3
83.01246	0.5
85.02826	0.7
89.02357	0.4
93.03362	1.6
101.02318	1.0
108.02031	0.6
109.02841	2.7
113.02342	1.1
117.03350	25.5
118.03663	0.8
119.04924	14.2
120.05267	1.0
121.02859	8.0
122.03640	4.5
123.04388	1.8
124.01552	0.8
125.02367	0.5
134.03656	0.8
135.04449	1.4
137.02330	1.1
145.02856	100.0
146.03207	4.5
147.04404	3.1
148.05113	0.5
149.05983	0.9
150.03111	0.5
152.58179	0.5
153.05463	0.8
154.02617	0.8
159.04475	1.1
160.05115	0.5
161.05988	1.9
163.03928	15.3
164.04280	1.0
165.05489	12.4
166.05856	0.7
175.03864	0.7
177.05510	0.6
179.07068	5.0
187.03947	1.3
205.04900	0.6
209.08101	0.5
219.06642	0.5
223.09587	0.6
247.06065	1.0
251.09142	0.5
259.82697	0.4
307.08228	65.3
308.08527	4.5
313.14462	0.9
315.12186	0.9
316.12863	0.5
332.12628	0.4
346.14182	4.1
347.14948	8.4
348.15259	0.9
361.16565	23.9
362.16772	2.3
421.07193	0.4
431.18829	0.4
562.05255	0.5
669.25513	33.9
669.35779	1.4
670.25885	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	669.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.4
57.03323	0.8
59.00954	0.3
59.01252	5.9
61.98684	0.6
67.93243	0.3
69.03333	2.0
70.30016	0.9
70.30377	0.3
71.01257	4.6
71.04890	0.9
72.90550	0.3
72.99146	0.4
73.02810	1.0
80.02539	1.3
81.03336	0.7
83.01272	0.4
83.04459	0.4
83.04905	4.9
84.02047	0.7
85.02825	1.2
85.06451	0.7
87.00759	0.9
89.02321	2.4
93.03341	0.5
95.01272	0.5
95.04910	0.9
97.06451	0.4
99.00764	0.4
101.02322	3.9
101.32946	0.3
109.06475	1.1
113.02320	2.4
119.03394	1.0
125.09604	0.8
133.10149	0.3
143.03397	0.3
145.04950	0.4
149.09630	0.8
161.04488	1.7
163.11208	3.6
165.12750	1.9
167.10715	3.1
171.10202	2.0
177.12778	0.7
179.05449	0.5
179.10861	1.5
179.14378	3.3
180.14584	0.3
180.19374	0.3
181.12213	0.6
191.10744	0.6
195.13858	10.2
196.14172	0.6
205.12294	9.4
206.12589	0.7
209.11780	86.6
210.12097	4.3
223.13358	100.0
224.13702	6.9
227.12852	13.7
228.13181	1.0
235.08157	4.2
253.09288	9.7
261.14920	2.5
397.23715	0.4
415.24921	0.8
433.25873	0.4
441.21378	0.9
445.20920	0.5
459.22409	8.6
460.22702	1.1
574.14374	0.3
633.32703	0.8
651.33704	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.3
61.98703	100.0
70.18699	0.8
70.19060	0.5
71.01266	1.5
72.99184	0.3
73.02815	0.8
80.02497	0.3
85.02826	0.9
87.61137	0.3
88.98682	0.9
93.03355	0.9
93.48373	0.3
95.01281	0.3
95.04920	1.5
96.95906	0.4
98.20399	0.3
99.00729	0.4
101.02312	1.7
108.02054	0.6
113.02329	1.4
117.03366	0.7
119.04952	0.6
121.02837	0.9
122.03625	1.7
123.04412	91.8
124.04745	3.1
125.02316	1.0
125.09606	0.4
127.13186	0.4
135.04388	0.4
137.02371	0.6
145.02855	2.0
149.02425	0.5
150.06740	0.6
151.03906	0.6
153.05482	97.8
154.05812	4.0
160.01535	0.4
161.04471	1.3
163.03864	0.3
164.04730	0.5
165.05428	0.4
171.10176	1.5
175.03906	0.4
190.02637	0.4
193.04857	0.4
195.06627	0.5
205.05019	0.7
227.12823	1.0
233.08472	1.0
267.10883	0.3
299.41769	0.3
301.07202	0.4
306.48856	0.3
307.08093	0.5
315.10873	3.1
316.11264	0.3
329.13599	0.4
341.23315	1.3
353.23315	4.9
354.23557	0.4
357.26367	0.4
359.27994	0.5
371.24368	39.4
372.24707	3.9
373.25922	0.7
413.25418	1.0
463.32922	0.5
467.26422	0.6
507.33191	0.7
515.28656	0.5
609.38220	0.9
669.36530	3.6
670.35272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	2.1
59.01248	6.7
61.98706	93.2
63.99139	0.8
68.77659	0.6
69.03328	0.7
71.01249	8.1
71.53617	1.4
72.99203	1.4
73.02834	2.1
75.00739	2.6
81.08485	0.7
83.01266	2.1
83.04903	1.0
85.02830	4.3
86.61456	0.7
87.00783	1.6
88.98683	2.1
89.02323	3.0
93.03318	1.3
95.01294	1.4
96.95911	2.7
99.00755	1.0
99.04406	1.3
101.02316	3.8
108.02048	3.9
109.02839	3.4
113.02349	4.5
117.03373	1.1
119.03405	0.9
119.04918	1.1
121.02827	1.1
121.55916	0.8
122.03632	7.2
123.04419	18.2
123.05289	1.2
124.01582	1.6
125.02355	2.2
125.09604	1.0
132.02095	1.7
134.03609	3.3
135.08049	0.8
136.05168	1.0
137.02357	5.4
137.06062	0.7
139.03928	1.4
145.02879	2.9
149.02379	2.1
149.05995	4.4
150.06772	41.8
151.03954	1.5
151.07310	2.2
152.01059	5.5
153.05502	6.5
160.01576	6.1
161.02361	2.0
161.04468	6.3
162.06818	1.1
163.03915	1.4
163.07578	8.5
164.08347	7.9
165.01854	4.1
165.05490	1.0
165.08772	1.0
167.03421	13.5
167.04721	1.2
171.10193	2.9
175.03915	6.6
176.04475	0.9
176.08380	1.6
177.09200	1.0
178.02654	1.0
178.09904	1.6
179.07059	1.2
179.10695	19.7
180.11017	1.0
181.04935	0.7
189.09181	0.7
193.04994	4.0
203.07140	0.9
205.05119	0.8
218.03677	0.7
235.06232	1.1
285.09717	1.2
285.21014	0.7
289.07303	1.2
309.24222	1.0
316.77866	0.7
327.21823	10.4
327.25458	5.1
328.22321	1.3
328.25851	1.1
337.09149	1.5
339.25427	3.3
355.24881	1.2
357.26453	44.9
358.26901	5.2
370.44778	0.7
371.60544	0.8
373.26038	2.9
385.56491	0.7
446.30365	4.8
461.32721	7.6
462.33145	1.4
488.31296	1.3
489.32529	4.5
506.32648	3.4
507.33322	30.6
508.33768	5.2
549.34021	1.0
669.29199	10.0
669.38770	100.0
670.29132	2.9
670.39014	21.3
683.99548	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15158	0.7
51.48716	0.7
54.15622	0.6
55.97986	0.8
57.03329	1.6
59.01257	5.4
61.98705	100.0
62.98406	1.0
63.99133	1.1
69.45817	5.5
71.01250	9.3
72.99196	1.2
73.02832	1.6
75.00736	2.4
83.01298	0.9
85.02818	4.2
86.37319	0.8
87.00758	1.6
88.98692	3.0
89.02327	2.8
93.03380	1.3
95.01316	0.6
95.04897	0.7
95.09909	0.7
96.95928	1.5
97.02827	1.4
97.06469	0.8
99.00791	0.8
99.04414	1.2
101.02310	4.2
108.02044	5.7
109.02856	3.2
111.00727	1.2
113.02360	3.0
116.92764	1.0
117.03348	1.4
119.03389	0.8
119.04945	1.6
122.03643	7.2
123.04424	21.8
123.05299	1.4
124.01563	0.7
125.02334	2.3
125.09619	1.1
132.02090	1.2
134.03647	2.7
135.04498	0.9
136.05179	1.1
137.02351	4.6
137.05980	1.1
139.03935	0.8
145.02878	2.1
149.02380	2.7
149.06003	4.5
150.03127	1.5
150.06775	40.9
151.03963	2.0
151.07265	1.3
152.01035	5.3
153.05508	8.7
160.01523	4.7
161.02335	1.6
161.04495	3.9
162.03143	0.9
162.06810	1.3
163.03902	2.4
163.07544	10.3
164.01091	1.2
164.08330	8.5
165.01871	4.7
165.05513	1.7
167.03430	14.4
167.85669	0.8
171.10233	2.5
175.03928	6.7
176.08371	1.4
177.01958	0.9
178.09886	1.7
179.03435	1.0
179.10698	19.6
179.12193	1.3
180.10951	1.0
185.11792	1.5
193.05009	3.2
203.07034	1.1
205.05096	1.6
212.64963	0.7
227.16508	0.8
285.09894	1.4
289.07178	0.8
301.06940	1.1
309.24429	1.1
325.23846	1.1
327.21811	8.0
327.25507	3.9
328.22217	1.0
337.09225	1.3
339.25381	2.1
355.25021	1.0
357.26474	39.6
358.26822	4.2
371.24335	1.8
373.26160	3.0
404.51611	0.7
446.30331	5.1
452.30875	1.1
460.32108	1.4
461.32727	6.4
462.32828	1.0
488.31650	1.5
489.32172	4.3
492.30746	1.2
493.30801	0.8
506.32739	3.1
507.33362	27.1
508.33527	4.9
508.77963	0.8
575.98663	0.8
669.29376	6.9
669.38721	87.2
670.29321	2.5
670.39105	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	670.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88858	0.1
57.03323	0.4
59.01248	0.9
61.98703	100.0
62.98405	0.2
63.44974	0.1
65.00227	0.1
65.21267	0.1
68.87604	0.2
70.92684	0.2
71.01267	1.0
72.99182	0.1
73.02812	0.3
75.00760	0.2
83.01263	0.3
83.04926	0.2
85.02821	0.4
87.00742	0.2
88.98692	0.6
89.02324	0.3
93.03352	0.3
98.20533	0.4
101.02328	0.3
107.01306	0.2
108.02071	0.4
109.02845	0.5
113.02353	0.4
119.04958	0.2
121.02856	0.6
122.03637	0.9
123.04406	2.6
124.01557	0.2
125.02346	1.3
134.03613	0.3
136.05231	0.2
137.02354	0.8
139.03854	0.3
145.02892	0.3
147.04405	0.2
149.02414	0.5
149.06015	0.5
150.03174	0.2
150.06764	4.4
151.00304	0.7
151.03922	0.6
151.07680	0.2
152.01068	0.4
153.05495	1.6
160.01633	0.3
161.02303	0.3
161.04494	0.4
163.03999	0.2
163.07597	1.0
164.01019	0.1
164.08333	0.8
165.01894	0.7
167.03418	1.0
167.10832	0.2
167.70621	0.1
169.01404	0.3
169.04996	0.4
174.03337	0.2
175.03922	0.5
176.08414	0.2
178.09906	0.3
179.03502	0.2
179.10693	1.4
205.04980	0.2
207.10233	0.3
209.11708	0.7
225.11290	0.5
226.32536	0.2
242.02245	0.3
285.04044	0.3
289.07291	0.3
313.23920	0.3
329.23129	0.7
357.26529	0.4
358.26752	0.2
359.28030	3.5
368.73383	0.2
373.26062	0.6
375.27991	0.3
423.07410	0.3
441.16620	0.2
448.32083	0.8
463.34161	1.1
490.32748	0.3
491.33884	0.3
507.33493	0.2
508.34302	0.4
509.34808	3.5
669.38440	0.2
670.30145	0.8
670.39014	0.5
671.17706	0.4
671.40637	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2348
Annotation	Saccharumoside A
Peak:m/z	Relative Intensity
54.34448	0.5
57.03324	0.7
58.91845	0.6
59.01258	3.8
61.45618	0.6
61.98704	3.6
67.01770	2.7
68.99700	1.3
69.43769	3.9
71.01256	8.0
72.99161	1.0
73.02813	1.0
81.03322	2.2
83.01271	2.4
85.02809	3.1
87.00745	1.2
89.02353	1.0
91.01775	3.2
93.03326	0.8
95.01263	2.7
96.99188	1.1
97.02814	1.0
98.20617	0.8
99.00752	1.1
101.02317	5.3
102.02533	0.6
106.98631	0.6
107.01263	4.7
108.02045	12.1
108.02721	1.0
109.02857	4.7
111.00755	4.0
113.02348	2.4
121.02850	4.6
122.07246	0.7
123.00791	7.7
123.04420	20.3
124.01575	1.4
125.02343	6.2
135.04411	2.1
136.01579	1.1
136.05206	1.2
137.02328	2.0
139.00319	0.6
143.03363	0.8
143.24797	0.7
145.02917	0.8
147.04413	2.0
149.02328	1.2
149.05960	1.4
149.23599	0.6
150.03113	2.2
151.00279	12.3
151.03842	1.7
152.01070	19.5
153.01848	7.8
153.05495	0.9
155.98766	0.8
159.04414	1.8
160.05214	4.0
161.02341	1.5
161.05971	1.2
162.03107	0.8
163.03902	1.0
164.04691	1.1
165.01868	0.7
165.05461	1.0
166.02635	2.6
167.03416	51.6
168.03757	1.9
175.03951	1.0
175.07507	3.2
177.05473	1.5
178.02681	0.5
178.06369	1.0
179.03418	0.9
179.06960	0.9
180.07890	0.7
181.04944	1.5
187.09709	1.7
191.01830	0.8
192.07787	0.6
193.04935	0.7
193.08797	0.6
195.02971	1.1
195.06488	0.8
209.04434	1.1
221.04523	1.1
223.09639	1.0
240.04337	0.9
241.08476	0.8
254.05893	1.0
255.06569	0.8
255.10329	1.2
269.08209	15.1
270.08615	1.6
271.09857	1.3
281.08249	2.8
283.09848	5.6
284.10065	0.9
285.45139	0.6
295.09821	1.0
296.05396	6.0
296.10388	1.3
297.06110	2.5
298.11798	0.7
299.09238	13.0
299.12457	0.6
300.09781	3.1
311.07565	62.4
312.08206	4.5
313.10809	2.0
314.11584	24.6
315.12338	8.9
316.12915	1.0
325.10770	2.9
326.07788	0.4
326.11563	14.5
327.12231	4.1
329.13953	36.1
330.14319	3.5
341.13956	11.7
342.14209	1.0
392.81250	0.7
509.86984	0.6
641.21777	2.7
648.88416	0.5
653.22711	0.8
671.23499	100.0
672.23834	25.0
672.35187	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48979	0.6
55.01791	0.7
57.03343	1.3
59.01255	10.0
61.98706	13.1
69.03356	1.1
71.01254	8.1
71.04926	0.7
72.99192	0.8
73.02824	2.7
78.95818	0.9
80.02576	1.7
81.03326	2.9
83.01314	1.3
83.04905	6.6
83.05348	0.5
84.02068	1.2
85.02810	3.0
87.00774	1.0
89.02319	3.4
93.03364	1.7
95.01286	1.0
95.04946	1.8
97.02832	5.2
97.06507	1.0
97.32372	0.5
99.00764	5.5
101.02321	6.7
107.04996	0.8
108.02043	0.8
109.02844	0.9
109.06490	11.6
110.02871	0.5
110.03625	0.9
111.04430	0.6
113.02343	3.6
119.03400	1.3
119.04955	0.8
123.04429	5.9
123.08098	1.0
124.01605	2.9
125.02351	6.5
125.09622	4.3
127.11198	0.6
135.08090	2.6
136.05231	1.5
137.02356	1.4
139.03920	2.2
142.02655	1.7
143.03406	0.8
145.02895	0.7
145.04947	0.8
149.02402	0.6
149.99516	2.4
150.03091	0.7
151.00322	0.8
151.03966	1.1
151.07628	0.8
153.01857	0.6
153.05495	4.8
160.01578	0.6
161.02341	0.9
161.04523	1.8
161.09642	1.4
163.11205	14.8
163.12492	1.0
164.11610	0.8
165.01907	1.0
165.05548	0.9
165.12776	2.8
168.00539	5.5
169.01295	0.6
169.04964	4.5
171.10178	3.6
175.03946	0.8
179.10724	0.7
181.12268	8.2
182.12601	0.7
185.11775	2.3
189.09154	0.9
191.10727	1.1
197.11870	0.8
199.13293	1.3
201.11261	1.7
203.14391	0.8
207.10216	47.1
208.10571	3.7
209.11780	100.0
210.12141	5.8
211.13287	0.8
221.11707	0.6
221.15288	0.6
223.13426	1.7
225.11285	52.8
226.11612	2.6
227.10727	1.1
227.12856	16.2
228.13179	0.9
232.33325	0.6
235.08134	3.4
235.13194	0.8
241.14352	0.6
242.02179	0.6
243.12343	5.6
247.13385	0.9
253.09277	7.8
263.12930	1.0
265.14465	1.1
281.13739	1.0
285.03946	0.7
289.07135	1.1
299.00565	0.6
299.15021	0.7
357.26312	2.9
373.23795	2.0
391.24579	1.2
399.21667	2.7
405.17474	0.6
417.22800	4.6
423.07132	1.9
431.07755	0.6
435.23621	2.2
443.19223	2.6
461.20331	13.9
462.20200	1.6
509.26266	0.7
609.32599	0.7
627.29944	1.2
635.30609	5.0
636.31036	1.1
653.31714	15.5
654.32635	3.2
668.19464	0.7
671.32312	31.3
672.33044	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	671.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.1
59.01244	1.3
60.43738	0.4
61.98704	13.2
70.07741	0.4
71.01260	2.4
71.10401	0.6
73.02820	0.7
75.00761	0.4
81.03343	0.6
83.01267	0.6
85.02811	0.9
87.00742	0.4
88.98677	0.4
89.02335	0.6
89.59788	0.4
93.03351	0.7
95.01269	0.5
95.04900	1.7
99.00793	0.4
101.02325	1.2
108.02062	1.6
109.02817	1.6
109.98827	0.3
113.02356	1.3
117.03374	0.4
121.02847	1.2
122.03645	1.2
123.04412	100.0
124.04751	4.0
125.02344	4.1
131.03418	0.4
133.02847	0.4
134.03680	0.5
135.04424	0.4
137.02347	1.6
145.02867	0.8
146.03201	0.4
149.02380	0.9
150.06827	0.5
151.00310	0.5
151.03934	2.2
152.01051	1.4
153.01869	1.3
153.05482	91.7
154.05833	4.1
160.01563	0.4
161.02403	1.4
161.04507	1.4
163.03944	0.8
165.01901	0.6
166.47397	0.4
167.03540	0.4
171.10239	0.7
175.03902	0.9
185.11700	0.7
193.04939	0.4
196.62233	0.3
207.10219	0.5
209.11713	2.1
225.11307	1.1
227.03415	0.5
242.02106	0.6
243.02861	0.8
245.04196	0.4
245.08218	0.5
255.02968	0.7
271.02377	0.6
283.02505	0.4
285.04013	1.1
285.20792	2.1
287.05573	0.6
289.07108	1.7
313.03586	0.7
313.23788	0.8
315.10849	2.2
317.17554	1.1
325.23911	1.9
337.23862	0.5
343.12030	0.4
347.22421	0.4
355.24905	9.1
356.25293	0.7
373.25934	46.7
374.26257	4.9
375.27457	0.7
409.26175	0.5
415.26883	1.5
423.07114	0.5
469.28104	0.7
499.29617	0.4
509.27579	0.7
509.34555	1.0
515.08289	0.4
517.30200	1.7
573.63867	0.5
653.16370	1.5
671.18134	0.6
671.36334	7.6
672.35876	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	671.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34488	0.2
57.03318	0.8
59.01243	1.1
61.79031	0.2
61.98704	24.1
63.93467	0.2
65.78207	0.2
67.01759	0.2
69.67037	1.3
71.01254	1.9
73.02812	0.7
74.97625	0.2
75.22510	0.2
81.03338	0.5
83.01289	0.6
84.98400	0.2
85.02818	0.7
88.98721	0.3
89.02342	0.4
93.03333	0.9
93.20187	0.3
95.01269	0.6
95.04901	1.7
97.02827	0.4
98.19844	0.4
101.02336	0.8
102.72544	0.2
105.03297	0.4
108.02079	0.7
109.02835	1.0
109.06463	0.3
113.02332	1.1
116.92832	0.3
121.02826	1.2
122.03600	1.4
123.04414	99.6
124.01508	0.4
124.04746	3.5
124.05597	0.4
124.47789	0.2
124.61985	0.3
125.02355	3.7
130.89801	0.2
133.02811	0.3
134.03711	0.3
135.04454	0.6
137.02322	1.1
139.03928	0.3
143.03320	0.3
145.02867	0.3
149.02400	0.3
150.06747	0.4
151.03926	1.5
152.01048	0.4
152.04662	0.3
153.05484	100.0
154.05818	3.2
155.10732	0.4
161.02333	1.1
161.04491	1.1
161.05714	0.2
163.03958	0.3
163.11179	0.2
164.04701	0.3
165.01817	0.4
165.05510	0.2
166.46567	0.2
167.03412	0.6
171.10165	0.9
175.03952	0.7
177.01849	0.6
183.10118	0.3
185.11774	0.4
190.02608	0.3
191.02982	0.3
195.06630	0.7
205.04936	0.5
206.90771	0.2
207.10187	0.9
209.11812	1.6
221.65720	0.2
225.11273	1.0
229.14439	0.8
241.29079	0.3
242.02222	0.3
285.04065	1.1
287.05481	0.3
289.07211	1.6
303.05038	0.6
315.11017	1.9
317.17700	0.3
329.23471	0.4
337.23996	0.7
355.24887	3.7
356.24869	0.3
361.16492	0.4
371.24432	0.4
373.25943	31.8
374.26279	3.8
375.27002	0.3
389.26022	0.3
415.26926	1.0
439.27206	0.3
469.28256	0.5
509.27402	0.5
509.34689	0.3
517.30121	1.3
566.73083	0.3
671.19855	0.3
671.36670	6.8
672.36768	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	671.4013
Annotation	Guineamide D
Peak:m/z	Relative Intensity
56.43459	0.5
57.03324	2.0
59.01252	3.8
61.98704	71.6
62.98422	0.5
62.99170	0.5
63.99132	0.5
65.00200	0.5
71.01257	3.6
71.26041	1.1
72.99184	0.7
73.02838	0.9
83.01275	1.9
85.02817	2.8
87.00761	0.7
89.02334	1.1
95.01314	0.4
95.04935	0.9
97.02860	0.6
99.04393	0.9
101.02331	1.3
107.01311	0.7
108.02048	2.0
109.02843	1.8
109.06483	0.7
111.00794	0.5
113.02298	1.1
121.02832	2.8
122.03646	3.2
123.04420	17.4
124.01556	0.7
124.04716	1.1
125.02338	6.1
131.34631	0.4
135.08112	0.8
136.05157	0.5
137.02382	1.9
137.05949	0.5
137.09621	1.0
139.03963	1.4
145.02850	0.7
149.02351	2.6
149.05988	6.0
150.06775	41.3
151.00296	3.7
151.03967	2.5
151.07254	1.8
152.01019	1.2
153.01924	0.6
153.05478	14.2
154.05849	0.5
155.10580	0.6
161.02356	1.4
161.04544	1.0
161.09644	0.8
162.06781	0.8
163.07561	11.6
163.11264	0.9
164.04805	0.6
164.08327	6.2
165.01790	2.3
165.05507	0.6
167.03410	4.2
169.01360	1.6
169.05064	1.2
171.10228	0.8
174.06618	0.5
175.00319	0.7
175.03969	0.6
176.08354	1.9
177.01787	0.5
177.09167	1.0
178.09872	3.0
179.10712	11.7
179.12204	0.8
180.11087	0.8
185.84883	0.5
188.41748	0.5
188.96992	0.5
193.08720	0.7
200.25377	0.5
205.05043	1.0
207.10278	2.1
209.11818	4.5
225.11235	3.2
227.03464	0.7
227.13066	0.7
242.02170	0.8
255.03067	0.9
265.21826	1.0
283.22949	0.6
285.04245	1.1
285.20941	0.4
289.07275	1.6
293.04523	0.5
315.16412	0.5
327.25546	1.7
329.23260	6.1
330.23798	0.8
339.25534	0.6
341.27005	0.5
357.26279	2.3
359.28015	8.7
360.28558	1.1
366.98706	0.5
373.25900	4.3
374.26367	0.8
375.27582	2.9
417.28424	0.6
423.07373	1.3
445.33176	1.0
448.31900	7.9
449.32584	1.5
462.33566	1.8
463.34286	10.3
463.40240	0.8
464.34625	2.3
472.32114	0.6
490.33310	1.7
491.33789	3.0
508.33881	2.9
509.34811	28.2
510.35016	4.0
574.73236	0.5
653.40063	0.6
671.40393	100.0
672.40802	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43459	0.5
57.03324	2.0
59.01252	3.8
61.98704	71.6
62.98422	0.5
62.99170	0.5
63.99132	0.5
65.00200	0.5
71.01257	3.6
71.26041	1.1
72.99184	0.7
73.02838	0.9
83.01275	1.9
85.02817	2.8
87.00761	0.7
89.02334	1.1
95.01314	0.4
95.04935	0.9
97.02860	0.6
99.04393	0.9
101.02331	1.3
107.01311	0.7
108.02048	2.0
109.02843	1.8
109.06483	0.7
111.00794	0.5
113.02298	1.1
121.02832	2.8
122.03646	3.2
123.04420	17.4
124.01556	0.7
124.04716	1.1
125.02338	6.1
131.34631	0.4
135.08112	0.8
136.05157	0.5
137.02382	1.9
137.05949	0.5
137.09621	1.0
139.03963	1.4
145.02850	0.7
149.02351	2.6
149.05988	6.0
150.06775	41.3
151.00296	3.7
151.03967	2.5
151.07254	1.8
152.01019	1.2
153.01924	0.6
153.05478	14.2
154.05849	0.5
155.10580	0.6
161.02356	1.4
161.04544	1.0
161.09644	0.8
162.06781	0.8
163.07561	11.6
163.11264	0.9
164.04805	0.6
164.08327	6.2
165.01790	2.3
165.05507	0.6
167.03410	4.2
169.01360	1.6
169.05064	1.2
171.10228	0.8
174.06618	0.5
175.00319	0.7
175.03969	0.6
176.08354	1.9
177.01787	0.5
177.09167	1.0
178.09872	3.0
179.10712	11.7
179.12204	0.8
180.11087	0.8
185.84883	0.5
188.41748	0.5
188.96992	0.5
193.08720	0.7
200.25377	0.5
205.05043	1.0
207.10278	2.1
209.11818	4.5
225.11235	3.2
227.03464	0.7
227.13066	0.7
242.02170	0.8
255.03067	0.9
265.21826	1.0
283.22949	0.6
285.04245	1.1
285.20941	0.4
289.07275	1.6
293.04523	0.5
315.16412	0.5
327.25546	1.7
329.23260	6.1
330.23798	0.8
339.25534	0.6
341.27005	0.5
357.26279	2.3
359.28015	8.7
360.28558	1.1
366.98706	0.5
373.25900	4.3
374.26367	0.8
375.27582	2.9
417.28424	0.6
423.07373	1.3
445.33176	1.0
448.31900	7.9
449.32584	1.5
462.33566	1.8
463.34286	10.3
463.40240	0.8
464.34625	2.3
472.32114	0.6
490.33310	1.7
491.33789	3.0
508.33881	2.9
509.34811	28.2
510.35016	4.0
574.73236	0.5
653.40063	0.6
671.40393	100.0
672.40802	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43191	0.8
61.98697	2.0
65.00182	1.4
69.49475	4.1
85.02818	0.9
95.79156	0.7
96.95922	0.9
103.53164	0.7
107.01270	1.4
108.02052	1.0
109.02835	1.3
121.02858	1.8
123.04410	1.1
125.02332	4.4
148.01498	0.8
151.00284	10.8
151.03886	1.9
161.02383	1.2
163.00151	1.5
177.01868	0.9
178.99821	7.1
192.00629	0.9
193.01329	1.0
194.00810	1.8
203.03296	1.3
209.57535	0.8
216.04274	0.9
226.02711	0.9
227.03383	1.9
243.03001	7.8
254.02260	1.9
255.02966	19.9
256.03409	1.1
271.02478	40.0
272.02933	3.5
273.04141	1.4
283.02573	1.5
285.03915	0.9
288.90460	0.8
288.94598	0.8
289.07034	1.6
299.01999	2.1
300.02750	98.9
301.03458	41.8
302.03885	2.8
308.02191	0.9
347.00732	0.9
609.14581	100.0
610.14917	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	672.382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.4
59.01244	0.8
61.98705	100.0
63.99132	0.3
71.01258	0.8
71.54469	0.2
72.81808	0.1
72.99188	0.1
75.00741	0.2
81.03300	0.2
83.01266	0.4
83.04917	0.3
85.02844	0.4
87.00785	0.2
88.98691	0.4
89.02332	0.4
93.03310	0.1
95.01282	0.2
95.04945	0.2
96.95914	0.2
99.40150	0.1
101.02341	0.6
105.01859	0.2
107.01254	0.2
108.02084	0.2
109.02858	0.5
111.00817	0.1
113.02378	0.2
119.03390	0.1
121.02857	0.4
122.03674	0.2
123.04417	2.9
124.01553	0.5
124.04745	0.2
125.02344	2.6
126.02689	0.3
131.10092	0.1
133.02866	0.1
135.08052	0.2
137.02359	0.9
138.01888	0.7
139.03917	0.5
145.02885	0.2
149.02356	0.2
150.03062	0.3
150.06760	0.9
151.00299	0.5
151.03917	1.1
151.07133	0.3
153.01863	0.2
153.05493	2.6
153.06679	0.2
153.94745	0.1
154.05904	0.2
161.02414	0.6
161.04495	0.3
161.06053	0.1
162.03026	0.2
163.00314	0.2
163.03867	0.2
163.07489	0.2
163.11252	0.3
164.01031	0.2
164.04720	0.2
164.08194	0.2
164.61157	0.1
165.01897	0.5
165.05396	0.2
165.12845	0.2
167.03502	0.1
168.00558	0.1
169.01358	0.9
169.04893	0.1
170.01660	0.2
175.03966	0.4
177.01920	0.3
179.03502	0.3
179.10747	0.4
180.11011	0.2
199.13333	0.8
203.07120	0.2
207.10194	0.2
209.11781	6.0
216.00368	0.1
225.11345	0.3
226.11873	0.2
227.12827	4.1
235.08321	0.2
243.03113	0.2
245.08270	0.3
247.13420	0.2
253.09322	0.6
271.06268	0.3
285.04080	0.1
289.07111	1.1
290.07431	0.2
300.03116	0.1
315.11304	0.1
317.17578	0.3
329.23303	0.2
342.72653	0.1
357.26529	0.4
360.27908	0.2
374.26370	0.2
375.27441	1.3
375.51746	0.2
386.38016	0.2
405.86905	0.1
445.20328	0.2
456.55048	0.2
463.21585	0.3
491.32916	0.1
509.34445	0.2
510.35428	0.4
521.14783	0.2
629.27606	0.1
672.41705	2.1
673.35364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74916	0.4
59.01239	0.4
66.28735	0.4
70.84798	0.8
78.95789	1.2
91.87761	0.4
95.04891	0.6
107.04897	0.6
121.02850	5.1
134.03670	0.6
135.04414	22.4
136.04762	0.8
149.02351	57.0
150.02742	2.1
161.02316	0.8
162.03131	3.2
163.03854	1.0
164.04700	100.0
165.05051	4.0
170.07271	1.6
171.08047	1.9
179.07056	66.3
180.07382	3.9
185.09576	0.7
188.08211	0.6
199.03845	0.9
200.04773	0.8
201.05515	0.5
202.06281	1.8
209.11711	0.6
213.05548	1.7
214.06258	0.6
215.07083	22.6
216.07767	5.5
229.08646	1.0
241.08751	0.8
255.10292	0.5
258.16293	0.8
269.11777	1.1
283.13272	0.6
284.14175	20.7
285.14548	1.9
287.16922	0.4
299.16510	84.9
300.16852	9.9
351.98108	0.5
353.90039	0.4
434.24521	1.4
435.25131	0.6
456.77255	0.5
661.57526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.2
59.01257	2.3
60.75642	0.1
68.88812	0.2
71.01251	1.2
71.04917	0.1
73.02821	0.5
80.02546	1.0
81.03328	1.0
83.01266	0.3
83.04902	3.8
84.02045	0.7
85.02821	0.5
87.00753	0.3
89.02309	1.2
95.04910	0.7
97.06443	0.2
101.02331	1.7
101.95734	0.1
109.06499	0.3
111.08080	0.2
113.02383	0.7
119.03407	0.4
125.05993	0.4
125.09599	0.2
135.08084	0.5
143.03467	0.2
145.04996	0.2
161.04449	0.7
163.11212	3.4
164.11554	0.2
165.12793	2.5
171.10176	2.4
172.10558	0.2
181.12280	0.5
182.70142	0.1
185.11853	0.2
191.10715	0.9
209.11783	100.0
210.12114	5.8
221.11865	0.4
227.12851	12.5
228.13205	0.8
235.08188	1.7
247.13382	1.3
253.09274	5.9
254.09650	0.2
265.14456	0.4
375.21915	0.2
401.23193	0.3
407.18900	0.2
415.41687	0.2
419.24634	0.2
445.20892	0.6
611.30450	0.2
637.32544	0.6
655.33319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.3
59.01255	1.9
61.98691	0.3
63.86820	0.2
69.03278	0.2
71.01254	1.9
73.02797	0.2
80.02533	1.3
81.03320	1.1
83.01251	0.6
83.04899	4.2
84.02028	0.8
85.02816	0.8
89.02326	1.2
93.03369	0.2
95.01244	0.2
95.04903	0.5
97.06460	0.3
101.02345	1.6
109.06400	0.2
113.02313	0.7
119.03387	0.4
125.02332	0.3
125.05983	0.3
125.09663	0.3
135.08032	0.5
145.04968	0.3
147.11676	0.3
149.99471	0.2
161.04523	1.1
163.11201	3.2
165.12788	1.8
168.00500	0.3
171.10173	2.5
179.05557	0.3
181.12283	0.6
188.37834	0.2
191.10693	0.8
209.11771	100.0
210.12117	6.1
214.27930	0.2
221.11783	0.3
227.12842	13.3
228.13193	0.7
235.08136	1.7
247.13374	1.5
253.09250	5.9
265.14526	0.4
445.20914	0.8
483.23245	0.3
611.30890	0.5
637.32446	0.9
655.32892	0.4
673.34418	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.5
57.03325	0.9
59.01253	9.0
61.98708	17.6
71.01254	5.8
72.99203	1.0
73.02843	1.7
80.02572	1.9
81.03355	1.4
81.85192	0.5
82.71388	0.5
83.01246	0.7
83.04899	6.9
84.02072	1.0
85.02837	1.5
87.00758	1.0
89.02307	3.9
93.03320	0.9
95.01278	0.7
95.04888	1.0
101.02332	5.2
107.12357	0.6
109.06491	0.7
111.08008	0.8
113.02351	3.3
119.03388	1.2
123.04408	1.3
125.02383	1.6
137.02328	0.8
151.03989	0.9
153.05437	0.8
159.06535	0.6
161.02348	0.8
161.04521	2.0
163.11183	4.7
165.12758	7.0
169.02469	0.8
171.10202	3.2
177.01909	0.8
179.05579	0.6
181.12299	0.9
183.13844	30.3
184.14214	1.6
185.11716	0.9
191.10699	1.2
199.13290	2.4
207.10291	1.3
209.11784	100.0
210.12114	5.0
211.13388	3.4
225.11328	1.9
227.12845	20.0
228.13356	0.8
235.08223	2.4
247.13571	0.8
253.09309	6.0
254.18845	0.6
401.23434	0.7
445.20679	1.5
463.21750	2.1
554.29572	0.6
613.40741	0.7
614.39514	0.8
637.31854	0.8
655.33301	2.3
673.34283	31.5
674.34497	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	673.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.4
57.29226	0.2
59.01242	0.8
60.28707	0.2
61.98703	1.8
69.33460	1.8
71.01254	1.2
71.40572	0.2
73.02844	0.3
79.04608	0.2
81.03339	0.4
83.04909	0.7
85.02831	0.4
89.02319	0.5
93.03355	0.5
95.01270	0.3
95.04897	1.5
97.06522	0.3
98.20514	0.4
101.02307	1.1
105.03392	0.2
108.02066	0.5
109.02806	0.2
113.02338	0.5
113.73365	0.2
121.02834	0.5
122.03638	1.0
123.04414	88.5
124.04739	3.9
125.02326	1.5
135.04451	0.3
137.02405	0.5
141.57919	0.2
151.03920	0.3
153.05486	100.0
154.05809	5.0
161.02374	0.4
161.04509	1.1
163.11209	0.5
164.01060	0.3
165.12798	0.3
171.10185	0.7
175.04036	0.3
178.00864	0.2
179.03305	0.2
181.12270	0.3
182.37544	0.3
209.11781	18.2
210.12088	1.2
227.12849	2.5
240.84140	0.2
253.09200	1.1
289.07150	1.5
297.09714	0.3
315.10825	1.2
357.26477	3.8
358.27127	0.3
373.25970	0.7
374.26080	0.5
375.27527	33.4
376.27835	3.8
417.28439	1.2
419.69049	0.3
471.29520	0.9
519.31659	1.4
673.20490	0.3
673.38281	6.5
674.38379	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24277	0.4
59.01257	1.0
60.06572	0.4
63.92754	0.4
67.01760	1.5
69.03275	0.5
70.74208	0.9
70.74546	0.7
71.01259	1.2
73.02849	0.7
81.03320	0.5
83.04898	0.6
85.02823	12.2
87.00751	4.8
93.03333	11.2
94.03631	0.5
96.95892	4.6
99.04385	0.5
109.02834	1.4
111.04401	1.9
115.00259	0.6
119.04929	2.3
127.03928	3.0
129.01807	0.4
133.98938	0.4
143.04919	0.8
152.22282	0.4
155.03398	0.6
160.18022	0.4
163.03899	2.0
171.02910	1.1
173.04457	4.7
184.08794	0.4
191.05539	100.0
192.05911	3.0
211.07584	2.3
259.90063	0.4
265.08691	1.4
327.08694	3.1
337.09238	4.3
470.24893	0.4
483.12686	0.8
526.90686	0.5
675.19281	31.4
676.19617	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	675.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75492	0.6
56.84421	0.5
57.03315	2.6
59.01241	0.7
59.73085	0.5
69.03342	0.9
69.95702	0.9
69.96067	2.7
71.01248	0.7
72.99169	0.6
77.63300	0.6
81.03333	2.6
83.01257	3.4
85.02827	1.3
93.03350	3.2
95.01281	0.8
95.04922	4.1
96.95875	0.8
97.02821	6.1
98.19872	0.8
107.04821	0.7
108.02048	0.9
109.02841	26.5
110.03162	1.0
116.68730	0.5
117.29459	0.5
121.02840	4.0
122.03590	1.7
123.04423	17.1
124.04743	1.0
125.02348	17.1
126.02654	0.6
127.47013	0.6
135.04436	1.9
137.01393	0.9
137.02353	11.7
138.02989	0.8
139.03885	3.7
145.02879	1.3
145.80443	0.6
146.03697	1.1
149.02356	8.8
150.03116	3.9
151.03928	10.2
152.01115	0.7
159.04379	3.2
160.05292	1.0
161.02336	1.0
161.05995	5.7
162.03143	1.6
163.03897	1.7
164.01047	3.4
164.04694	3.3
165.01813	4.2
166.02580	0.7
167.03398	2.2
173.04465	0.9
173.05942	0.9
175.03914	2.8
175.07542	1.6
177.05536	0.7
179.03435	7.3
179.07028	1.4
185.06027	0.9
187.03926	5.6
188.04753	4.7
191.05542	12.4
193.01360	1.6
199.07538	1.0
201.05515	1.0
202.06296	2.6
203.07079	13.2
204.07378	1.1
205.05017	9.0
208.03751	5.4
212.04752	0.8
217.05174	0.8
221.08104	3.7
223.06078	15.8
224.06383	0.7
227.07016	2.8
229.05194	0.8
230.05849	1.1
245.08165	20.4
245.10709	1.0
246.08556	1.8
247.06027	1.1
260.51114	0.6
284.59280	0.7
289.07184	100.0
290.07529	9.8
309.76382	0.7
327.08725	2.4
385.11212	3.1
480.86557	0.7
501.14240	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	675.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.6
56.42149	0.1
57.03325	1.7
58.00203	0.2
58.00470	2.6
59.01254	53.7
60.01598	0.4
60.82016	0.2
61.98698	0.2
63.64246	0.1
67.01765	0.3
67.13149	0.1
68.99696	0.7
69.03328	2.5
71.01256	44.1
72.01587	0.8
72.99183	2.8
73.02820	7.1
75.00739	0.8
78.95775	0.3
81.03333	1.9
83.01265	4.8
83.04889	0.6
85.02826	9.7
85.08172	0.2
85.99979	0.7
86.03179	0.2
87.00756	10.9
87.04408	0.5
89.02320	38.3
90.02660	0.7
91.03892	0.9
93.03341	0.5
95.01270	2.9
95.04887	0.4
97.02830	7.8
98.19796	0.3
99.00767	3.1
99.04404	0.6
101.02327	36.7
102.02666	0.5
102.23559	0.2
103.00243	0.2
103.03893	0.5
109.02836	0.8
111.00750	0.7
111.04407	1.3
112.01519	0.3
113.02335	17.4
113.05986	0.2
114.02618	0.4
115.03895	0.9
119.03394	11.8
120.03751	0.2
121.02856	0.7
123.00794	0.3
123.04413	0.3
124.01563	0.5
125.02344	14.7
126.02688	0.3
127.03909	0.4
127.07545	0.3
131.03413	1.8
133.04950	1.2
137.02354	0.6
139.03911	1.0
141.01834	0.9
143.03404	7.2
144.03751	0.2
149.04468	1.3
151.03906	0.3
155.03389	0.3
157.05002	0.4
161.04475	8.8
162.04768	0.2
163.03896	0.3
167.03429	0.7
169.04965	0.5
171.02936	0.5
179.05539	8.3
181.04987	0.3
185.04520	0.9
199.06096	0.7
203.05592	0.4
209.04466	0.3
217.07069	1.3
219.04996	0.5
221.06638	2.9
227.05586	0.2
233.22688	0.4
235.08203	17.3
236.08508	0.7
243.47900	0.2
245.06616	1.1
253.09254	4.1
259.20654	0.5
263.07736	2.0
275.20163	0.4
277.09570	1.3
277.21725	100.0
278.22073	10.4
278.24396	0.2
287.04633	0.3
287.07733	3.8
291.23218	0.5
305.08789	4.6
306.08755	0.2
323.09796	2.2
361.11606	0.8
379.12448	1.2
397.13504	82.9
398.13818	7.1
415.14575	35.5
416.14920	3.8
461.70709	0.2
556.85541	0.2
675.35565	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08528	0.2
54.07196	0.2
55.01759	1.8
56.99697	0.2
57.03326	1.2
58.00468	2.6
59.01252	48.0
60.01580	0.5
61.98686	0.5
63.52750	0.2
67.01752	0.2
68.99688	0.7
69.03325	2.6
71.01254	44.0
71.05492	0.2
71.33949	0.3
72.01600	0.6
72.99178	3.8
73.02819	6.8
75.00761	1.2
78.95779	0.6
81.03333	1.4
82.29900	0.2
83.01258	5.6
83.04907	0.6
83.65269	0.2
84.02072	0.2
85.02825	9.4
85.99985	0.5
86.03124	0.2
87.00752	9.9
87.04375	0.2
87.13685	0.2
89.02318	36.3
89.14404	0.2
90.02669	0.6
91.03890	0.8
93.03332	0.6
95.01272	3.0
97.02830	7.2
99.00755	2.9
99.04411	0.6
101.02325	34.2
102.02064	0.2
102.02671	0.9
103.00247	0.3
103.03894	0.5
109.02832	1.0
111.00760	0.5
111.04429	1.2
112.01584	0.3
113.02331	18.0
114.02640	0.3
115.03885	0.8
119.03388	11.0
120.03734	0.2
121.02850	0.6
123.00783	0.3
123.04395	0.6
124.01527	0.6
125.02338	14.0
127.03896	0.6
127.07539	0.2
127.17211	0.2
129.01826	0.2
131.03398	1.7
133.04959	1.2
137.02309	0.5
139.03908	1.5
141.01831	0.8
141.05501	0.3
142.02606	0.3
143.03404	7.3
144.03737	0.2
145.04947	0.3
149.02382	0.2
149.04491	1.1
151.03859	0.3
152.99522	0.5
155.03413	0.3
161.04465	7.7
161.05827	0.4
162.04800	0.2
163.03923	0.3
167.03455	1.2
169.05009	0.6
171.02914	0.3
179.05533	6.8
180.05861	0.3
181.04933	0.3
185.04463	0.8
199.06081	0.6
203.05632	0.3
217.07137	1.1
219.05003	0.5
221.06638	2.3
233.22687	0.2
235.08191	14.1
236.08563	0.6
245.06659	0.6
253.09285	4.0
254.09634	0.3
259.20682	0.7
263.07706	1.8
275.20074	0.3
277.09619	1.2
277.21713	100.0
278.22064	9.0
287.07721	3.6
288.08243	0.3
291.23309	0.6
305.08768	3.7
306.09027	0.4
323.09845	2.0
324.10236	0.2
361.11380	0.9
379.12466	1.2
397.13489	77.9
398.13800	6.3
415.14560	33.8
416.14990	2.8
490.05106	0.2
507.02487	0.2
593.27087	0.7
675.35889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.3
57.03321	0.9
58.00455	2.1
59.01255	37.2
60.01563	0.7
61.98692	2.5
62.89779	0.6
64.00507	0.5
67.01772	0.6
68.99667	0.8
69.03333	1.5
71.01258	33.7
72.99179	3.0
73.02819	5.0
75.00740	1.0
78.95776	1.8
80.96442	0.5
81.03336	1.9
83.01268	4.8
85.02831	7.2
87.00756	8.5
89.02323	28.4
90.83193	0.5
91.03913	0.6
95.01269	2.7
95.17071	0.5
97.02844	5.5
99.00751	1.8
99.04385	0.6
101.02328	26.4
102.02683	0.8
109.02804	0.8
111.04401	0.9
111.14553	0.5
112.61932	0.5
113.02341	13.8
115.03916	0.9
119.03392	10.1
119.04878	0.5
121.02814	1.1
125.02347	12.5
131.03403	1.4
132.68089	0.6
133.04942	1.2
135.04407	2.2
139.03931	1.0
141.01852	0.7
143.03391	6.0
149.02325	1.3
149.04495	1.5
152.99516	0.9
161.04495	6.1
163.03902	0.7
164.04657	1.6
167.03464	1.0
169.04906	0.6
179.05533	6.5
179.07103	2.0
185.04543	0.8
199.06091	0.7
199.34309	0.5
209.49408	0.6
217.07043	0.6
221.06598	2.6
235.08199	13.9
236.08333	0.6
245.06622	0.8
248.75371	0.5
253.09233	4.9
258.16135	2.7
263.07574	1.3
277.09323	1.1
277.22000	0.6
279.23300	100.0
280.23669	9.0
287.07767	3.1
305.08792	3.4
323.09885	1.8
379.12402	1.0
397.13522	81.6
398.13818	6.2
402.90350	0.7
415.14594	33.2
416.14890	2.8
587.37958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53818	0.2
52.91137	0.3
55.01754	1.5
57.03329	1.2
58.00473	2.5
59.01253	37.2
60.01600	0.4
61.98706	0.5
67.01776	0.3
68.99693	0.7
69.03329	2.0
71.01256	33.9
72.01604	0.4
72.99188	3.1
73.02822	6.0
75.00752	0.9
80.96409	0.5
81.03332	1.8
83.01256	4.0
85.02828	7.3
85.99986	0.3
87.00755	8.7
87.04418	0.3
89.02320	28.0
90.02666	0.6
91.03881	0.8
93.03346	0.4
93.92415	0.2
95.01262	2.1
97.02827	5.4
99.00747	2.3
99.04368	0.4
101.02325	28.2
102.02693	0.4
103.03871	0.4
109.02853	0.7
111.00764	0.5
111.04388	0.8
113.02332	14.1
114.02641	0.4
115.03882	0.7
115.91920	0.3
116.92747	0.3
119.03396	9.5
119.04250	0.5
121.02861	0.3
123.00808	0.4
123.04397	0.5
124.01563	0.3
125.02339	12.6
126.02728	0.3
127.03898	0.6
131.03409	1.3
133.04967	0.7
139.03899	1.2
141.01819	0.6
143.03413	5.6
149.02370	0.4
149.04436	0.8
155.03436	0.3
157.04988	0.4
161.04477	6.9
167.03400	1.3
169.04967	0.3
171.02882	0.5
179.05540	6.5
181.05014	0.3
185.04527	0.5
199.06012	0.8
201.75148	0.2
203.05592	0.3
205.27194	0.2
213.73938	0.2
217.07068	0.9
219.05051	0.5
221.06593	2.1
227.05702	0.4
235.08197	13.3
236.08508	0.4
245.06610	0.8
253.09262	3.4
261.22226	0.3
263.07758	1.4
270.04700	0.2
277.09277	0.9
279.23291	100.0
280.23627	9.4
287.07755	2.9
292.25677	0.3
293.25018	0.6
305.08801	3.5
306.09280	0.3
323.09845	1.6
361.11456	0.4
379.12445	1.0
397.13498	73.7
398.13824	5.5
415.14581	31.0
416.14719	2.2
508.42148	0.2
577.26904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66534	0.2
57.03327	0.3
57.94766	0.2
59.01228	0.5
61.98713	1.5
69.35918	1.5
71.01248	0.4
77.58893	0.2
81.03330	6.1
83.04901	17.8
84.05241	0.5
93.03334	0.2
94.24998	0.2
96.95879	0.4
98.20508	0.5
107.05991	0.3
108.04401	0.5
109.02839	0.5
111.00747	0.3
121.02872	0.3
123.00766	0.6
123.04386	0.6
124.01575	0.3
125.02334	0.7
125.07067	1.1
126.05506	0.4
137.02330	0.6
143.08131	0.6
149.02362	0.4
150.03119	0.7
151.03896	0.7
161.02344	0.4
165.01849	0.5
165.05463	0.8
175.03906	0.2
177.01920	0.2
183.02911	0.2
195.06531	0.4
203.06903	0.2
207.15025	1.2
210.05272	0.2
222.16071	0.4
224.17648	2.9
225.07608	0.4
225.16058	12.0
226.16376	0.8
242.18674	0.8
249.08041	1.0
272.38766	0.2
278.11401	0.2
278.33914	0.2
288.23093	0.2
289.07071	0.7
290.22513	0.2
309.21701	1.0
324.26587	0.6
333.22937	1.1
341.29114	0.8
351.24408	0.3
367.27155	0.9
385.28183	0.4
407.34244	0.2
433.31519	1.3
450.34683	1.5
451.32874	6.1
452.33212	0.8
481.14072	1.0
535.38086	0.3
550.43433	1.1
551.43719	0.2
559.39813	0.6
565.45453	0.3
593.44006	0.8
659.48840	1.0
677.49701	100.0
678.50018	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	679.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.8
57.03329	0.8
58.00460	1.4
59.01254	33.1
61.98701	0.7
68.99677	0.4
69.03331	2.1
71.01254	32.2
72.01588	0.7
72.99190	2.9
73.02819	5.2
75.00712	0.5
80.96355	0.4
81.03323	1.2
83.01266	4.3
85.02338	0.6
85.02826	7.8
87.00751	8.4
87.04414	0.4
89.02320	28.6
91.03878	0.5
93.03330	0.3
95.01272	2.7
95.84034	0.3
97.02835	6.3
98.19785	1.0
99.00769	1.8
101.02326	28.4
102.02677	0.7
109.02835	0.7
111.04395	1.4
113.02332	13.7
115.03878	0.8
119.03390	9.6
121.02812	1.0
123.00758	0.5
125.02336	11.3
127.03921	0.5
131.03415	1.1
133.04973	0.9
137.02315	0.5
139.03886	1.3
141.01825	0.9
143.03412	5.5
149.04472	0.9
161.04465	6.3
167.03401	0.7
179.05531	5.4
185.04596	0.7
199.06094	0.7
203.05595	0.5
217.07230	0.9
219.05048	0.4
221.06657	2.0
235.08206	11.4
236.08606	0.4
245.06599	0.5
253.09283	3.7
263.07730	0.9
277.09277	0.8
279.56427	0.4
281.24857	100.0
282.25217	9.1
287.07727	2.8
295.26407	0.4
299.15866	0.4
305.08850	3.1
323.09778	1.4
361.11292	0.4
379.12405	1.2
397.13498	74.0
398.13745	5.9
402.17145	0.4
415.14572	30.3
416.14893	2.6
519.97772	0.5
526.66541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06107	2.8
59.01239	10.4
61.98697	11.9
65.00198	4.6
71.01246	9.7
71.54432	5.6
85.02815	4.5
89.02309	4.4
94.92468	3.1
95.01297	3.9
101.02346	4.3
107.01244	4.1
108.02091	3.4
109.02850	10.1
118.02850	7.1
123.00765	9.9
123.04324	5.4
124.01545	5.8
125.02388	8.0
134.02388	11.3
137.01440	4.4
137.02328	26.5
139.00262	3.4
143.07677	3.8
146.02411	6.6
146.14700	3.6
149.02304	4.2
151.00269	13.9
162.01904	28.8
163.00342	8.1
164.02232	3.8
164.03455	43.2
165.01897	3.4
166.02605	4.4
167.03400	4.9
168.71780	3.3
176.01128	5.1
177.01813	38.5
178.99759	7.1
181.04976	6.2
186.01877	32.1
187.02328	3.8
190.01360	14.8
193.01341	4.7
203.02144	10.0
204.02937	24.5
205.16353	3.0
215.03386	3.8
225.04097	3.9
227.03386	5.9
240.04253	3.6
242.02208	6.9
243.02882	10.0
255.02966	9.9
257.04364	4.1
270.01657	7.7
270.04337	4.3
271.02518	8.5
282.04221	4.5
283.02579	5.0
284.03174	10.7
285.04120	19.9
286.03934	6.5
287.01959	4.6
287.42929	3.3
289.07266	3.4
294.03961	6.0
298.04578	4.1
299.02328	5.9
299.05530	17.5
302.04211	5.2
303.88745	3.8
308.05743	5.0
310.03522	8.5
312.02209	4.5
313.03564	16.3
314.04102	10.4
315.04956	8.7
321.03012	3.5
322.03418	7.2
323.04193	4.8
325.05801	4.8
327.05075	14.0
329.05664	5.6
330.03568	6.3
331.04550	18.3
336.05112	12.3
338.03021	7.0
338.06812	6.4
339.03619	7.0
340.04431	10.4
353.05447	17.8
354.06198	100.0
355.06503	10.4
356.03894	8.8
371.06436	15.3
372.07028	15.4
407.12024	3.4
409.15292	3.8
438.23553	3.9
489.16599	3.8
515.13922	13.2
530.15167	15.8
548.63550	3.3
613.17456	4.0
636.16077	4.6
639.15521	11.6
640.15509	4.7
648.15894	5.2
662.17249	70.3
663.17603	14.1
680.18213	90.8
681.17944	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61526	0.2
51.94459	0.2
59.01253	0.7
61.98704	100.0
70.87296	0.2
71.01264	0.6
71.54536	0.2
72.99198	0.3
75.00710	0.3
77.76586	0.1
87.00764	0.2
88.98679	0.4
89.02344	0.4
101.02356	0.2
111.00735	0.2
113.02363	0.3
117.03334	0.4
119.04935	0.5
123.04427	0.5
125.02329	0.5
133.02934	0.4
134.03648	0.2
135.04443	0.9
145.02875	0.8
149.02385	0.2
150.97556	0.2
153.05556	0.3
163.03940	0.3
172.79698	0.2
175.03926	0.2
176.01067	0.2
177.01854	2.1
179.03467	0.5
205.05119	0.2
238.83855	0.2
287.05923	0.2
327.25308	0.2
357.26370	0.2
359.27969	0.3
444.81631	0.2
527.41101	0.2
534.29895	0.5
535.31256	0.7
599.50623	0.2
645.05658	0.2
680.34003	0.7
681.35107	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08209	0.3
50.99493	0.3
55.01774	0.3
57.33881	0.3
59.01247	0.5
62.19333	0.2
62.80422	0.3
71.01261	2.6
71.40623	0.5
73.02822	0.6
83.01282	0.4
85.02814	2.0
93.03348	0.6
95.01301	0.6
99.00722	0.4
101.02295	1.4
108.02054	0.5
109.02876	0.5
113.02347	0.9
121.02837	2.5
122.03625	2.0
123.00803	0.4
123.04384	0.4
124.01544	0.2
125.02317	0.3
128.56747	0.3
134.03661	0.4
136.01564	50.1
137.02216	1.8
139.13058	0.2
145.24654	0.2
149.05917	0.4
151.03918	94.6
151.24474	0.3
152.04269	3.8
153.01825	0.3
159.03004	0.4
159.04469	0.7
160.05206	1.0
161.02402	0.4
161.04472	2.8
162.03143	0.6
163.03908	0.9
175.03937	0.5
175.07506	1.4
176.04761	0.3
177.01904	0.3
177.05556	0.9
179.03442	0.4
189.42653	0.3
191.05687	0.3
213.23372	0.3
235.66206	0.3
262.44019	0.3
311.12985	0.8
342.11078	5.0
343.11545	0.4
357.13434	100.0
358.13785	9.7
519.18799	1.9
520.19293	0.5
614.84894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	3.4
61.98703	17.8
71.01256	2.9
71.54369	0.6
72.99182	2.1
73.02819	1.1
75.00743	1.0
83.01270	1.5
85.02816	1.4
87.00770	0.6
88.98695	1.0
89.02325	1.4
93.03332	1.4
96.95882	1.0
97.02853	0.5
101.02312	1.4
109.02805	0.7
111.00720	0.5
113.02317	1.6
116.92754	6.4
117.01824	0.8
117.03358	6.7
119.04920	100.0
120.05267	4.0
121.02822	0.7
123.04411	0.8
125.02336	2.1
135.04440	1.3
137.02325	1.8
137.63770	0.5
139.03928	0.7
141.09128	0.7
145.02858	16.8
146.03134	0.7
147.04414	0.7
150.03165	0.7
151.03873	1.0
153.05505	1.0
161.04439	0.7
163.03923	69.5
164.04283	3.2
165.01802	1.2
167.03336	1.3
171.10223	1.4
173.04469	0.7
179.03452	0.7
190.02798	1.0
205.05016	1.4
274.59320	0.6
310.17349	0.7
343.24997	0.9
355.24872	2.5
357.13379	0.9
357.26459	1.0
373.25986	11.3
374.26120	0.9
399.23642	1.2
517.30597	0.9
519.31805	0.8
535.31213	10.5
536.31366	1.5
587.11584	0.6
681.35095	22.6
682.35236	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	681.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65485	0.8
57.03338	1.2
57.04763	0.8
59.01250	10.9
61.98704	45.2
71.01253	9.6
71.02589	1.5
71.04880	1.2
72.99175	1.9
73.02821	2.4
75.00747	7.1
82.04880	0.8
83.01270	1.3
85.02826	2.5
87.00754	2.7
87.90016	0.7
89.02310	3.5
95.01270	1.3
99.00764	1.0
101.02321	6.1
107.04921	1.2
109.02850	1.5
113.02329	3.9
117.03347	40.8
118.03749	1.6
119.03484	1.9
119.04920	22.9
120.05178	0.7
121.02866	2.0
123.04414	5.0
125.02348	2.7
125.09605	1.2
134.03613	1.5
135.04420	16.2
137.02347	2.3
139.03937	0.9
145.02858	100.0
146.03175	4.9
147.00737	1.0
149.02396	6.9
149.06009	0.8
151.03908	1.0
153.05476	3.9
160.01576	2.0
161.02376	1.7
161.06059	0.9
163.03926	19.4
164.04715	5.7
165.01808	1.5
165.05470	1.3
169.12267	3.1
171.10216	3.2
175.00278	7.5
175.03899	1.8
177.01762	1.0
179.03407	15.8
185.11769	2.8
190.02658	19.9
191.03264	1.8
193.04970	1.4
197.11870	1.5
205.05011	20.7
206.05466	1.5
215.12811	2.3
221.08163	1.2
223.06090	10.2
224.06445	1.3
265.07199	7.7
278.40942	0.8
295.08215	3.3
325.09286	3.4
343.24963	2.4
355.24902	10.8
356.25433	1.4
373.25986	18.1
374.26364	2.2
385.11188	4.3
427.12408	11.5
457.13470	1.2
517.30389	3.4
535.31226	98.8
536.31586	10.0
681.35052	84.1
682.35535	14.5
710.03998	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.225
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	1.5
59.01254	37.5
62.16634	0.5
65.34699	0.6
66.76392	0.6
67.58942	0.6
69.41181	4.2
71.01254	26.8
72.99181	1.2
75.00729	0.9
85.02830	3.0
87.00750	2.7
89.02319	36.5
90.02644	0.8
92.85478	0.7
95.01270	1.3
98.19807	1.2
101.01682	1.2
101.02325	14.1
101.02993	0.9
106.87422	0.6
107.51812	0.6
113.02335	11.2
119.03391	11.2
120.03710	0.7
131.03391	1.9
143.03398	2.9
155.09320	0.5
161.04506	3.6
179.05531	15.8
180.06012	0.7
221.00142	0.5
245.13896	0.7
274.98184	0.6
341.10883	100.0
342.11230	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	683.365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.6
59.01251	2.9
61.98705	23.2
63.96074	0.5
64.97249	0.4
69.25990	4.1
71.01245	2.2
72.99178	1.8
73.02815	1.0
75.00737	1.5
78.98444	0.8
83.01257	0.5
85.02834	1.2
88.98672	1.4
89.02309	1.4
93.03324	1.2
96.95879	0.5
97.02867	0.5
101.02324	1.6
109.02834	0.7
113.02342	1.7
116.92749	3.4
117.03343	1.1
119.04919	100.0
120.05259	5.2
121.02854	0.8
122.03607	0.7
123.04419	6.0
125.02328	1.5
134.03561	0.7
136.01570	4.5
137.02327	2.0
139.03871	0.8
141.09105	0.9
145.02863	2.2
147.04494	1.0
149.02284	0.9
150.03111	0.5
151.03928	7.1
153.05496	5.4
160.01566	1.2
161.02359	1.8
161.04504	0.9
163.03923	76.1
164.04259	4.4
165.01895	0.7
165.05524	1.1
167.03398	1.1
175.03957	1.4
179.03516	0.7
181.05051	0.6
190.02682	0.7
191.03491	0.6
193.05112	0.7
195.06674	0.7
205.05040	0.7
271.09860	0.4
285.04364	0.5
289.07220	2.0
290.07587	0.5
299.11230	0.7
342.11279	0.6
357.13474	5.2
357.26511	2.0
358.14001	0.6
359.27808	0.7
373.26166	0.8
375.27475	6.3
401.25430	2.7
537.21667	0.5
537.32361	0.5
618.77838	0.5
683.36639	19.9
684.26324	0.7
684.37140	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	683.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38091	1.2
55.31801	1.3
57.03316	5.3
59.01250	7.8
61.98702	15.8
71.01252	6.2
71.08968	2.2
78.42352	1.2
82.52882	1.2
83.04920	2.7
85.02839	1.6
87.00755	2.4
89.02316	2.7
95.04893	1.9
97.06470	19.9
101.02318	6.4
103.13161	1.6
113.02322	1.8
123.08051	10.9
125.09619	100.0
126.09936	3.6
143.10646	1.6
161.04439	2.3
169.08565	3.3
187.09708	42.3
188.10052	2.2
235.08215	2.3
253.09239	4.4
255.23393	1.4
277.21732	45.5
278.22037	3.8
341.10764	4.5
405.17578	5.0
423.18713	6.8
582.53601	1.5
683.40179	98.7
684.40363	22.0
684.99811	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	683.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96745	1.3
57.03313	3.5
59.01248	8.2
61.98706	3.5
69.96178	5.5
71.01258	4.3
78.95767	1.9
84.99424	1.3
85.02808	1.7
89.02317	5.0
89.72803	1.3
92.78899	1.4
95.04903	1.7
97.06464	12.8
101.02338	3.4
111.46440	1.2
113.02370	2.2
114.41892	1.3
123.08059	8.3
125.09615	96.3
126.09922	2.2
169.08557	3.7
172.89455	1.3
183.61751	1.4
187.09685	73.9
188.10031	2.9
253.09221	3.1
255.23216	2.6
277.21704	23.7
405.17828	6.4
423.18765	17.8
424.19281	1.7
529.89502	1.6
683.40094	100.0
684.40436	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	685.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74799	0.3
57.03305	0.4
57.98897	0.3
59.01258	1.9
61.98702	6.5
70.46008	0.3
71.01260	2.1
71.03033	0.6
73.02832	0.7
74.99403	0.4
79.32620	0.4
83.01277	0.6
85.02843	0.8
87.00755	0.8
88.98664	0.6
89.02325	0.6
93.03353	1.8
95.01261	0.6
96.95853	0.4
99.00776	0.3
101.02332	1.3
107.01318	0.3
108.02067	1.6
109.02847	1.0
113.02367	0.7
116.92720	0.3
117.03353	32.4
118.03718	1.1
119.04920	14.4
120.05179	0.6
120.99564	0.4
121.02842	4.0
122.03638	3.8
123.00827	0.5
123.04415	7.7
124.01665	0.4
125.02332	1.5
126.28407	0.4
133.02834	1.6
134.03648	2.1
135.04404	0.7
136.01591	0.6
137.02347	1.2
145.02858	100.0
146.03189	3.8
147.04388	1.1
149.02350	5.9
149.05986	1.2
150.03137	23.5
150.06769	0.6
151.00333	0.4
151.03944	4.0
152.01064	0.4
153.01830	0.7
153.05463	3.1
160.01558	1.1
161.02345	1.4
161.04584	0.4
161.06006	1.2
162.03137	1.4
163.03920	15.1
164.04704	1.6
165.01851	0.7
165.05495	16.0
166.06059	0.9
167.03426	1.3
167.07120	0.6
175.03905	1.8
177.05493	2.5
179.03423	0.4
179.07030	0.8
179.10703	0.4
180.04185	1.4
181.04979	1.8
181.08629	1.1
191.05482	0.6
193.04993	0.8
195.06577	2.7
205.04976	1.0
221.04257	0.3
228.26051	0.3
269.08167	0.5
289.07208	1.4
311.07806	2.0
311.11096	0.5
314.11411	0.4
321.48044	0.4
329.14081	0.6
337.09265	1.7
343.11649	0.5
347.14941	2.0
369.22699	0.4
387.23599	1.5
398.33673	0.4
459.16699	1.3
488.16815	1.3
489.17709	10.0
490.18204	1.1
491.18976	0.8
503.19312	0.4
521.20233	0.7
523.32953	0.6
543.18707	6.6
544.19312	0.7
637.22931	23.4
638.23474	4.8
649.22852	6.6
650.23169	1.0
667.24042	8.9
668.24384	1.7
685.24994	12.1
685.37982	2.2
686.25378	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	685.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02129	0.5
57.03312	1.4
58.95150	0.4
59.01256	2.7
61.98708	18.2
69.03307	0.5
69.66640	3.1
71.01266	2.8
73.02818	1.0
75.20649	0.4
85.02820	2.2
87.00773	2.5
88.98674	1.0
89.02300	1.1
93.54173	0.5
101.02306	1.7
108.02004	1.1
109.02854	0.9
109.06574	0.5
111.08065	0.9
113.02343	1.3
117.03360	4.2
119.04907	2.7
119.29868	0.5
121.02867	0.9
122.03574	1.2
123.04434	4.7
123.08077	0.9
125.02339	1.4
127.11163	0.7
133.02850	0.7
135.04451	1.1
136.01569	0.6
136.05162	0.6
137.02341	2.8
137.09605	0.9
137.17896	0.6
139.11108	0.5
145.02859	12.5
149.02353	1.6
149.06003	1.4
150.03156	3.5
150.06776	18.9
151.03882	1.7
151.07306	0.6
152.04710	2.5
153.05476	2.8
154.41805	0.5
155.10692	1.4
160.01662	0.7
161.02330	1.7
162.06754	1.0
163.03928	3.4
163.07550	8.8
164.01056	0.9
164.04730	1.2
164.08379	3.8
165.01836	1.3
165.05499	2.1
167.03458	0.6
167.07027	1.9
171.10175	1.8
175.00305	1.1
175.03925	0.6
176.08261	0.9
177.01808	0.7
177.09158	1.1
178.09868	0.8
179.03448	0.9
179.10710	12.5
180.04198	0.7
181.04973	2.1
190.02640	1.8
193.04866	0.6
195.06618	2.8
196.06877	0.6
201.11288	0.6
205.04993	2.6
257.13910	1.3
285.07648	2.3
306.18408	1.2
313.10718	1.6
313.23932	1.2
317.10303	3.2
321.20670	0.8
329.10104	0.7
331.11871	7.5
332.12451	0.6
341.23245	2.6
341.26834	1.1
343.12393	1.9
343.21292	3.6
348.19376	0.8
359.28055	19.0
360.28323	1.9
367.10333	4.3
373.25806	3.0
373.29932	0.7
445.29068	0.5
462.29730	1.2
476.31436	1.9
477.32159	4.7
478.31711	0.6
489.17883	0.8
504.30942	2.8
505.31595	2.6
522.32068	7.9
523.32782	17.7
524.32910	3.3
543.18585	0.9
605.93890	0.6
637.23126	2.5
649.23401	1.2
667.23724	1.5
685.38074	100.0
686.28705	0.7
686.38422	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	686.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88634	0.4
59.01249	0.7
61.98705	37.9
74.98869	0.4
75.81863	0.5
83.01279	0.6
90.44006	0.5
93.35275	0.6
98.19660	1.1
107.01230	0.7
125.02286	0.7
142.92616	0.5
151.00278	2.6
163.00153	0.6
199.03926	2.1
201.01927	0.7
215.03371	1.2
227.03467	3.2
242.02177	2.6
243.02945	19.2
244.03545	1.9
251.30072	0.6
255.02948	11.3
256.03748	0.7
257.04477	3.4
259.06174	0.7
270.01712	2.7
271.02484	28.9
272.03070	3.6
285.04086	4.8
286.04788	1.5
287.05515	1.3
299.01965	29.4
300.02731	26.9
301.03061	2.4
314.04318	33.2
315.05099	65.6
316.05331	5.6
357.05939	0.7
533.20190	0.7
534.20630	0.6
623.16174	100.0
624.16486	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	687.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.8
59.01252	5.7
61.98705	7.0
69.28118	1.1
69.59711	5.6
71.01246	3.1
83.01246	4.6
87.00758	1.0
89.02312	3.6
93.03318	2.4
93.07064	1.2
95.01282	1.7
97.02821	3.8
101.02271	2.4
108.02018	3.8
109.02829	11.2
113.02310	1.5
119.04870	2.0
121.02816	6.6
122.03625	5.9
123.00751	1.4
123.04420	11.8
124.01546	2.8
125.02362	5.2
127.66839	1.0
134.03633	2.7
135.04391	3.7
137.01389	1.6
137.02350	21.1
138.03169	1.2
139.03867	3.1
145.02846	2.1
147.04382	3.4
147.90741	1.0
149.02354	7.7
149.05949	2.1
150.03101	3.8
151.03929	6.7
159.04419	3.0
160.05145	1.2
161.02370	6.2
161.05984	7.2
162.03120	2.9
163.00237	1.2
163.03941	8.2
164.00987	4.0
164.04726	2.1
165.01846	15.4
165.05475	2.6
167.03447	1.4
174.03125	1.2
175.03877	4.4
177.01830	6.3
177.05426	1.4
179.03308	1.9
181.05060	1.3
187.03891	2.6
187.05421	1.2
188.04704	1.5
189.01807	1.3
190.02591	1.7
191.03392	7.8
191.05310	1.2
201.05394	1.8
202.06232	2.7
203.03352	1.5
203.07045	4.6
205.05009	9.0
209.08180	1.1
215.06982	1.2
219.10260	1.2
221.07967	1.3
227.07030	1.6
239.06857	1.3
240.08046	1.3
241.05035	2.0
243.02925	1.1
243.06435	1.7
245.08116	1.7
247.06015	2.2
271.09982	1.4
283.05978	1.3
285.07687	3.1
297.07700	1.3
298.08459	2.5
299.09250	3.1
300.02689	1.4
307.08228	1.5
311.07678	3.0
315.04865	3.1
316.05426	2.7
327.08719	4.0
523.18109	2.3
535.18146	6.7
536.18280	1.6
591.09174	1.2
624.16412	6.4
643.23877	4.4
663.39990	1.2
687.22870	100.0
688.23309	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	687.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.8
58.00461	0.6
59.00987	0.7
59.01255	8.3
60.68674	0.5
61.98703	16.3
67.94112	0.6
69.03328	5.1
69.22516	5.4
71.01257	7.9
71.04900	2.8
72.99167	1.3
73.02818	1.4
80.02540	1.1
81.03325	2.2
82.65768	0.6
83.01252	1.4
83.04893	5.1
83.49440	0.6
84.02024	1.0
85.02833	2.6
87.00711	1.5
89.02328	3.9
93.03355	0.6
95.04899	1.3
97.02816	1.5
97.06455	1.3
99.00764	0.8
101.02322	5.2
105.01800	1.3
109.02837	0.7
111.00751	0.6
111.04417	0.6
113.02305	2.2
119.03392	0.9
120.59740	0.5
121.02811	0.9
123.04372	2.6
123.08002	1.5
125.02327	1.8
125.05943	0.7
125.09630	3.0
132.49310	0.5
135.04292	0.7
135.08018	0.6
137.02313	1.6
137.09596	0.9
139.03841	0.6
144.08296	0.5
149.02321	0.9
150.03107	2.8
151.03905	1.1
151.11165	1.7
153.05426	0.7
153.12712	1.8
161.04433	1.1
161.09662	3.0
163.03952	0.8
163.11223	3.7
164.04648	0.6
165.01831	2.1
165.05455	2.5
165.12735	2.3
167.03400	2.7
168.42567	0.5
171.10127	1.5
175.03934	1.1
179.10696	9.0
180.11012	1.0
181.08578	0.6
181.12209	0.7
195.06519	0.7
197.11778	65.6
198.12085	3.5
207.10274	0.7
209.11780	60.8
210.12105	3.7
223.09717	1.8
227.12823	4.6
241.10791	4.7
253.09264	3.8
285.04016	0.9
312.36105	0.6
359.28027	4.4
459.18704	1.3
477.19693	3.1
478.20245	0.6
556.54437	0.6
669.30908	1.9
687.32233	100.0
688.32635	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	687.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.1
63.84229	0.6
73.02819	4.3
78.95789	0.8
93.03336	4.5
95.80619	0.7
100.29105	0.7
108.02023	1.1
109.02837	2.2
123.04386	0.9
136.01573	1.1
137.02345	43.7
138.02682	1.5
151.02658	1.1
151.03905	22.7
152.04323	0.8
152.99495	0.6
161.06030	0.7
164.01102	2.3
167.07056	5.7
173.05952	0.9
179.03430	5.0
187.07539	0.9
194.05795	3.1
209.11818	0.9
211.09735	7.9
267.06931	0.9
271.16898	1.2
277.21796	1.2
281.08139	2.0
283.17191	0.8
296.10397	0.8
306.12210	0.7
311.12866	8.1
335.13223	1.3
341.17267	0.8
350.15366	1.1
386.61157	0.8
404.19983	1.4
417.76407	0.7
419.22260	1.1
434.24643	32.1
435.24908	4.5
449.26965	100.0
450.27289	14.3
643.33020	1.3
681.23572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78202	0.8
58.01156	0.7
61.98700	1.0
71.24874	1.1
73.02816	5.1
78.95786	1.3
88.92030	0.5
92.59248	0.6
93.03349	4.2
109.02856	3.6
119.09006	0.7
123.04436	0.9
131.70657	0.6
136.01575	0.9
137.02354	53.3
138.02686	1.9
148.05232	0.6
151.03923	25.6
152.04353	1.3
159.04492	0.8
164.01022	1.9
167.07074	7.8
173.05980	1.0
174.06757	1.2
179.03421	4.5
187.07552	1.1
194.05753	2.2
209.11888	1.0
211.09673	8.8
214.10036	1.2
235.66277	0.6
255.23273	1.1
271.17151	2.4
277.21890	0.7
281.08206	2.1
281.24756	0.7
296.06528	0.7
296.10306	0.8
297.18652	0.9
311.12949	6.2
335.12390	0.7
341.17520	1.0
350.15549	0.8
419.22211	2.0
434.24600	33.5
435.24850	3.9
449.26956	100.0
450.27310	14.3
643.32581	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	687.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.8
57.03337	1.0
58.00463	1.0
59.01255	1.5
61.98707	5.8
69.03329	1.1
71.01254	2.3
71.20908	0.7
72.99159	1.0
73.02826	16.7
78.95772	1.1
81.03326	2.3
83.04902	6.9
85.02835	3.7
93.03337	51.5
94.03671	1.5
99.00762	6.3
99.04404	6.0
101.02319	1.1
107.30901	0.8
109.02834	2.1
111.04412	20.2
112.04756	1.1
114.72514	0.8
120.53072	0.7
129.01833	2.7
137.02356	14.5
143.03394	3.7
155.03423	10.0
173.04480	100.0
174.04881	3.4
209.11745	1.9
254.04669	0.7
255.23274	1.2
277.11716	0.9
277.21945	1.4
281.24973	1.3
285.34601	0.9
327.55127	0.7
486.84781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3963
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
57.03316	1.0
59.01242	2.6
60.39468	0.5
61.98700	8.2
71.01249	2.5
71.03710	0.5
71.04039	0.7
73.02841	0.5
83.01270	0.7
83.04898	0.5
85.02821	1.6
87.00754	0.8
94.56787	0.5
97.06516	0.6
99.04380	0.8
101.02332	0.9
109.02835	1.3
111.04404	0.7
113.02349	1.4
113.09593	0.5
113.59436	0.5
117.03340	0.6
121.02834	2.3
122.03619	2.1
123.04419	4.5
125.02293	1.6
136.05186	0.9
137.02283	2.6
137.05907	0.9
137.09581	0.6
145.02837	1.2
146.03296	0.9
147.04410	1.1
149.02310	1.1
149.06001	3.7
150.06766	36.7
151.00266	0.7
151.03902	1.2
151.07214	2.2
152.04555	0.6
153.01846	0.8
153.05473	1.5
154.01247	0.5
161.02255	0.7
161.09688	0.7
162.06694	1.1
163.07562	7.1
164.04707	0.6
164.08348	7.1
165.01785	1.3
165.05450	3.5
171.10162	0.7
176.01099	3.1
177.09132	1.2
178.06282	0.6
178.09909	1.8
179.03368	0.7
179.07085	1.3
179.10699	19.7
180.10982	1.2
181.04962	0.7
190.02733	0.8
191.03439	3.4
195.06552	0.8
205.05106	1.5
206.05281	0.6
212.12413	0.5
239.16776	0.6
285.07507	0.7
286.07901	0.7
289.07455	0.6
301.20068	0.7
314.11459	0.8
317.10400	0.8
318.10626	1.0
319.11069	0.8
329.13919	1.4
341.13831	0.8
343.24847	1.4
345.22864	5.4
346.14056	0.8
357.25919	0.6
361.16602	10.9
362.17108	1.6
367.10547	1.7
368.10760	1.3
369.10648	1.0
373.25626	0.8
375.27460	5.3
376.28098	0.8
389.25220	0.8
461.32669	0.9
464.31528	5.8
478.32681	0.9
479.33664	9.4
480.34042	1.4
506.32263	1.2
507.33154	3.1
524.33447	2.6
525.34290	27.9
526.34442	3.8
687.39630	100.0
688.27698	1.0
688.39978	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.3
57.80006	0.6
59.01249	2.8
61.98706	42.1
69.03313	0.6
69.46607	3.7
71.01249	2.4
71.70850	0.5
73.02814	0.9
83.01268	0.8
85.02788	2.9
85.58511	0.5
87.00758	1.0
87.04382	0.7
88.98701	0.9
96.95898	1.0
97.06504	0.6
101.02309	1.5
107.04943	0.7
108.02085	1.1
109.02821	2.6
113.02340	0.9
113.05934	0.6
121.02865	0.7
122.03642	1.1
123.04420	14.7
124.04826	0.7
125.02336	4.6
133.02843	0.6
135.04491	1.1
135.08058	1.0
137.02351	2.2
137.05989	0.7
145.02835	0.6
149.02377	0.9
149.05977	2.7
150.03098	0.9
150.06773	33.2
151.00299	1.2
151.03935	1.2
151.07207	1.1
153.01848	0.9
153.05493	11.6
154.05838	0.9
155.10672	0.9
161.02374	1.0
162.06729	0.8
163.03917	1.3
163.07568	13.2
164.04669	0.7
164.08360	7.5
165.01828	2.0
165.05502	1.3
167.03381	0.9
169.01375	2.3
171.10222	0.8
175.03963	0.9
176.01283	0.7
177.01726	0.9
177.09050	0.6
178.09943	1.2
179.03395	0.6
179.07080	1.0
179.10698	16.3
180.11009	0.7
183.10211	0.8
191.03442	1.2
191.07137	0.8
193.05086	0.9
195.06622	0.8
205.05164	0.7
241.05135	1.5
255.03146	0.6
271.09860	0.6
287.18784	0.6
289.07114	1.0
299.09323	0.6
315.21750	4.2
327.21960	0.8
343.11847	0.7
343.24768	2.7
344.12845	1.5
345.22894	2.9
353.08466	0.7
359.14990	4.5
361.16580	1.2
371.24347	1.4
373.26099	1.4
375.27280	0.8
389.18079	0.6
389.25256	3.8
390.25998	1.0
448.31946	1.2
462.33521	1.1
463.34558	0.8
464.31482	2.0
477.32443	1.2
478.33145	2.5
479.33621	4.5
495.33322	2.7
506.32635	3.3
507.33044	4.5
524.33618	6.1
525.34259	14.8
525.42395	0.7
526.34692	2.5
687.39771	100.0
688.22491	1.3
688.40186	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	687.433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.0
57.03314	2.8
59.01252	62.7
61.98706	58.2
63.06513	1.1
63.70490	1.0
65.65778	1.0
71.01258	33.5
71.54161	1.6
72.99184	2.5
73.02815	6.0
75.00753	2.7
83.01269	3.6
85.02828	11.2
87.00768	1.5
89.02314	17.0
95.01290	2.1
96.95860	1.4
99.00758	2.9
101.02328	18.5
101.05972	1.3
113.02330	13.6
119.03395	6.9
123.04394	2.0
125.02341	2.2
138.01537	0.8
143.03346	1.7
159.02916	1.8
161.04494	8.5
163.11186	1.0
171.10185	4.3
179.05537	3.9
183.34045	1.0
185.11597	0.9
197.11780	1.4
205.08582	1.3
209.11815	8.5
227.12956	1.7
241.14439	1.7
343.11908	1.3
343.24698	1.1
355.11771	2.1
355.24753	3.6
357.26440	4.9
359.28183	2.3
360.28110	1.6
363.28815	1.3
373.25876	18.3
374.26352	2.3
405.67630	1.0
445.33286	2.3
449.32684	2.5
461.39008	1.2
465.29395	1.9
465.35834	29.0
466.36179	3.3
627.41125	100.0
628.41492	21.1
651.39398	1.7
657.28973	1.6
687.31738	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	688.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.1
59.01252	0.7
61.98703	100.0
62.98398	0.2
65.64680	0.2
69.38449	0.3
69.38862	0.8
71.01254	1.1
73.02823	0.3
83.01279	0.2
83.04915	0.4
85.02824	0.2
87.00725	0.2
89.02316	0.2
93.03339	0.2
95.04903	0.2
96.95887	0.1
97.02871	0.1
99.00776	0.1
101.02332	0.3
109.02824	0.3
109.06512	0.2
112.96630	0.1
113.02346	0.3
122.03662	0.2
123.04430	0.7
125.02374	0.4
125.09601	0.1
128.02026	0.1
135.04431	0.1
136.01418	0.1
137.02357	0.6
139.03827	0.1
145.02859	0.1
149.02281	0.2
151.03941	0.3
151.07596	0.2
153.05487	0.5
161.02393	0.2
161.04507	0.2
163.11182	0.4
165.01871	0.4
165.12781	0.1
167.03481	0.2
167.07056	0.2
169.05031	0.1
171.10173	2.1
175.03911	0.2
179.07059	0.2
201.11334	0.5
205.05020	0.2
207.10219	0.4
209.11786	3.9
225.11232	1.3
227.12781	0.7
247.15454	0.1
251.12938	0.2
253.09346	0.4
289.07327	0.2
301.07031	0.2
330.24701	0.2
373.26132	0.1
375.27570	0.3
381.39346	0.1
461.11276	0.1
461.63248	0.2
526.31244	0.6
688.38281	0.3
689.32556	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	5.4
59.01249	16.2
61.98704	55.3
69.03326	2.0
69.37830	9.5
71.01252	16.6
71.04884	2.7
72.99188	2.3
73.02808	4.0
78.89902	1.3
80.02539	1.9
81.03305	4.3
83.01257	3.5
83.04879	6.5
85.02802	6.6
87.00745	3.7
87.41998	1.3
88.98602	1.5
89.02312	4.2
93.03292	3.2
95.01257	2.3
95.04887	2.9
96.95864	2.2
97.02815	3.3
97.06436	4.0
99.00764	11.2
101.02320	9.4
102.36770	1.4
107.74134	1.4
109.02798	5.1
109.06469	2.6
111.00713	1.6
113.02321	5.9
116.80632	1.8
119.03374	1.9
119.04889	2.4
121.02800	3.0
122.03632	2.1
123.04388	6.3
123.08028	2.3
125.02341	12.0
125.06055	1.5
125.09590	4.8
127.11201	1.5
136.01558	1.7
137.02338	9.6
139.03909	2.1
145.02904	1.7
150.03145	2.4
151.03897	3.9
153.05301	1.5
161.02312	2.1
161.04431	3.0
161.05913	1.6
163.03905	2.6
163.11206	14.2
164.01025	3.4
164.04659	2.4
165.01830	7.4
165.05496	1.6
165.12767	2.0
167.03354	2.3
171.08757	2.6
171.10185	49.3
172.10504	2.0
175.03934	1.9
179.03302	2.4
181.12267	15.2
183.10172	4.5
189.09134	1.8
193.04913	2.1
199.13376	7.4
201.11244	10.7
203.07079	1.9
205.04837	2.0
207.10207	27.1
208.10532	2.1
209.11775	100.0
210.12085	7.3
215.13002	1.5
225.09256	2.6
225.11288	41.3
226.11601	3.2
227.12869	12.5
235.08095	3.8
243.12372	14.0
253.09267	9.7
289.07068	4.5
329.14221	1.9
359.27835	2.2
361.16504	2.0
375.27438	2.6
461.20197	6.8
479.21472	7.5
505.21082	2.3
511.18170	1.8
523.21948	2.4
563.64380	1.6
627.93127	1.6
653.31488	4.7
671.32721	5.9
689.33539	73.0
690.34143	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	689.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.4
57.03312	2.9
58.92233	1.2
59.01254	14.7
61.98703	41.3
68.72953	1.3
69.03320	1.2
71.00896	1.4
71.01254	15.8
71.04880	3.1
71.55087	1.5
73.02817	2.5
81.03329	3.8
83.01247	3.8
83.04887	6.0
84.02054	2.2
85.02811	3.5
87.00742	2.9
88.98676	1.6
89.02335	7.3
93.03336	2.0
95.01255	2.1
95.04887	3.5
96.95903	2.6
97.02818	5.4
97.06493	3.4
99.00768	14.9
101.02333	9.7
109.02827	3.7
109.06452	3.5
113.02301	5.1
119.03358	1.8
119.04898	3.6
121.02845	2.5
123.04384	5.5
123.08047	1.2
124.01558	1.3
125.02327	10.5
125.05956	1.4
125.09609	5.3
133.02849	1.4
135.04393	1.5
135.08073	1.9
136.05199	2.0
137.02309	8.6
138.01733	1.7
139.03859	4.0
139.41917	1.3
142.02551	1.8
145.02820	1.7
150.03148	2.2
151.03877	4.0
153.05473	2.5
160.01553	1.4
161.02330	2.2
161.04475	2.9
161.09592	1.2
163.03922	1.8
163.07562	1.3
163.11186	11.1
164.04402	1.1
165.01863	7.7
165.05449	1.7
165.12701	2.3
167.03397	1.7
169.04994	1.9
171.10211	12.0
175.03896	2.1
181.12289	14.6
191.10724	1.6
197.11673	2.0
199.13326	16.6
201.11276	3.4
203.07027	1.8
205.08630	1.6
207.10229	28.2
208.10501	1.6
209.11774	89.8
210.12085	6.4
225.11278	56.0
225.12965	1.1
225.13530	1.7
226.11612	4.5
227.12907	10.9
235.08098	2.9
242.02049	1.5
243.12384	13.2
253.09311	7.8
287.05746	1.5
289.07178	6.0
373.94421	1.3
375.27609	1.8
383.10858	1.5
443.19208	1.8
461.20303	9.9
479.21112	4.2
487.14044	1.5
577.98981	1.5
653.31458	4.1
671.32788	5.1
674.19940	1.5
689.33728	100.0
690.34174	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	689.339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77064	0.5
55.01756	0.6
57.03309	1.2
58.00463	1.3
59.01251	8.3
61.98701	18.6
69.03326	1.1
71.01256	47.4
71.04874	0.6
71.34323	0.6
72.01582	1.2
72.99165	0.8
73.02829	3.5
75.98701	0.5
78.41303	0.5
80.02544	1.5
81.03344	2.4
83.01260	0.8
83.04900	6.6
85.02813	2.3
87.00734	2.3
88.98656	0.8
89.02323	3.4
93.03339	1.0
95.01247	1.2
95.04903	1.7
97.02834	2.2
97.06484	0.5
99.00742	1.3
101.02325	4.3
109.06481	4.5
111.08046	0.6
113.02332	2.6
119.03431	0.8
122.03647	0.7
123.04402	1.7
124.01424	0.6
125.02327	2.1
125.05991	0.8
125.09603	2.4
127.11149	2.3
135.08057	1.1
137.02319	1.6
139.03889	0.5
139.07542	1.4
143.03400	1.1
151.03911	0.8
153.05507	0.7
153.09009	0.7
153.12750	0.5
155.10651	1.0
161.04442	2.4
161.09637	1.1
163.09952	1.0
163.11209	8.3
164.11501	0.6
165.01828	0.9
165.12779	2.0
166.73074	0.5
167.10767	0.7
171.10185	39.0
172.10573	1.1
179.10686	1.1
181.12251	3.1
183.10103	0.6
185.11755	3.3
189.09032	0.6
191.10756	1.2
197.11754	1.7
199.13333	1.2
199.60570	0.6
201.11263	17.1
202.21069	0.6
207.10223	14.6
208.10609	0.8
209.11771	100.0
210.12096	6.5
215.12848	2.2
225.11272	26.5
226.11630	1.6
227.12822	12.1
228.13126	1.0
235.08163	3.6
243.12334	2.0
251.12926	1.7
253.09251	10.2
263.12958	1.2
265.14499	0.5
269.94284	0.5
282.40659	0.6
295.10324	0.8
317.64233	0.6
357.26514	1.0
359.28021	2.0
375.27505	1.0
381.20538	0.6
399.21823	0.7
405.17059	0.6
417.22760	1.0
445.20877	0.9
461.20187	3.7
479.21317	0.8
487.21323	0.6
499.22650	0.7
515.88550	0.6
635.30908	1.2
653.31647	4.0
671.32739	3.7
672.33209	1.4
689.22736	0.8
689.33380	6.0
690.34332	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	689.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.8
59.01255	12.3
60.99156	0.7
61.98703	53.7
65.03868	0.7
69.03349	1.6
71.01255	40.7
71.04893	0.9
72.01601	0.9
73.02808	4.4
80.02553	2.0
81.03328	3.4
83.01256	1.6
83.04905	6.0
84.02013	1.1
85.02819	3.9
87.00757	2.8
88.98682	1.5
89.02317	5.7
93.03346	1.2
95.01257	1.5
95.04883	2.2
96.95880	2.6
97.02840	2.9
98.20579	1.3
99.00759	4.0
101.02321	8.0
105.10860	0.6
109.02843	1.7
109.06487	5.2
111.00773	0.9
111.04446	1.2
113.02328	4.7
119.03373	2.7
121.02888	1.3
123.04409	4.1
123.08062	0.8
125.02328	5.2
125.09624	3.2
127.11208	2.0
135.08078	2.2
137.02344	4.6
137.09645	1.2
139.03896	0.9
139.07538	1.4
150.03146	1.3
151.03835	0.9
153.05478	3.9
153.12714	1.0
155.10713	1.2
161.02341	0.9
161.04474	4.7
161.09521	1.3
162.92870	0.8
163.11195	8.3
165.01801	2.4
165.09187	0.9
165.12753	1.7
167.03401	1.8
171.10184	31.5
172.10564	1.7
175.03883	1.2
179.05504	1.9
181.12253	4.3
182.12712	0.8
183.10246	0.8
183.13898	0.8
185.11736	2.4
189.09132	1.5
191.10611	1.1
193.14597	0.9
197.11816	3.7
199.13339	3.4
201.11263	16.5
205.04868	0.9
207.10184	16.3
207.11938	1.4
208.10574	1.3
209.11775	100.0
210.12143	5.9
211.13335	1.2
215.12866	1.9
217.01558	0.8
225.11275	30.7
226.11668	1.7
227.12862	13.0
235.08218	3.5
235.13324	1.0
243.12439	3.9
251.12926	2.4
253.09219	9.6
281.13943	1.0
287.05679	0.8
288.06235	0.8
289.07288	1.1
291.19620	2.3
295.10165	0.9
322.63211	0.8
331.17700	1.4
347.17072	1.6
349.18518	1.7
355.24933	1.1
357.26468	7.0
358.26813	0.8
359.28003	8.8
373.26096	1.9
375.27414	5.2
397.13416	0.9
399.22034	0.8
407.19611	1.1
443.19189	1.2
445.20276	1.2
461.20291	4.4
479.21478	1.6
653.32123	2.8
671.32947	2.5
672.33472	1.1
689.22412	1.7
689.33307	21.6
690.34009	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	689.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83526	1.2
59.01244	7.0
61.98693	5.4
62.28207	1.5
71.01255	51.0
73.02826	4.3
78.95780	3.5
79.73781	1.4
80.02568	1.7
81.03335	3.5
83.04900	7.0
84.02034	1.6
85.02838	3.0
87.00797	2.2
89.02334	3.1
93.03341	6.3
95.04946	2.1
96.95905	1.6
97.02843	1.8
99.00710	1.5
101.02328	4.5
109.06479	4.6
111.04421	2.7
113.02346	2.2
125.05952	1.6
125.09593	2.3
127.11178	2.2
135.08052	2.2
137.02309	2.3
161.04391	2.1
163.11238	7.4
165.12773	2.1
171.10211	32.7
173.04469	9.3
181.12256	4.3
189.09273	1.5
201.11298	16.5
207.10210	15.5
209.11786	100.0
210.12120	7.2
225.11282	30.9
226.11461	1.9
227.12872	11.6
235.08144	4.1
243.12343	3.5
251.12758	3.3
253.09317	10.1
258.16348	1.9
461.20261	4.9
477.23181	1.5
653.31921	2.9
671.32947	3.6
689.33203	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	689.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.9
57.03319	3.2
59.01253	100.0
60.01566	1.4
61.98706	46.7
68.94851	1.0
70.11032	3.8
71.01259	27.2
72.99181	1.4
73.02813	5.3
78.95753	1.0
83.01254	3.5
83.04900	13.9
85.02825	8.9
86.03150	0.9
87.00751	1.8
89.02319	10.5
95.01238	1.6
97.06440	1.1
99.00751	2.7
99.04382	1.6
99.43858	1.0
101.02325	14.1
101.05991	0.9
104.15831	0.9
111.00732	1.5
111.04407	10.4
113.02326	8.7
115.02821	0.9
116.92717	1.0
119.03397	4.4
119.04886	1.2
123.04375	2.1
125.02322	3.0
127.03054	1.5
127.03915	14.7
127.07544	2.1
129.05481	13.6
137.02338	2.2
141.09093	5.8
143.03403	1.7
151.03894	2.7
152.04623	1.8
153.05495	1.2
161.04489	7.4
163.11324	1.0
165.01933	1.7
171.10175	4.8
179.05515	3.3
181.12276	2.1
183.13797	1.3
185.11777	1.8
197.11749	3.7
201.11237	3.1
207.10223	1.6
209.11781	9.6
210.12082	1.0
211.13358	2.2
215.12907	1.4
225.11305	2.9
227.12877	1.7
236.10139	1.2
253.09363	1.6
286.11780	1.1
327.25259	1.4
331.17545	4.0
337.27176	1.1
347.17303	1.3
349.18268	1.0
357.26486	17.0
358.26666	3.4
359.27930	5.4
373.26047	1.9
375.27527	23.4
376.27795	3.3
499.32578	2.6
517.34021	1.2
559.34448	2.6
585.40179	29.1
586.40552	5.6
611.37982	49.0
612.38416	8.5
627.41583	1.8
629.39069	2.7
651.39844	1.3
671.40167	16.0
672.40240	4.2
689.42566	6.5
690.41187	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	690.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92901	0.6
57.08974	0.6
59.01250	1.2
60.10207	0.6
60.99183	0.8
61.98708	13.0
71.20493	0.8
71.20816	0.8
73.02798	1.1
76.97069	0.6
78.95774	2.9
80.96407	1.2
81.51086	0.5
88.98672	1.8
89.14391	0.6
93.48513	0.7
112.20555	0.6
125.02296	0.7
179.07011	0.6
196.58540	0.6
209.11700	2.5
209.47977	0.6
279.26193	0.6
299.04514	1.6
438.13251	1.0
451.13983	1.1
452.15128	1.8
466.16519	0.8
480.14468	0.9
481.15186	7.2
482.15311	1.9
483.14377	0.7
485.58633	0.6
493.14786	1.9
494.15512	1.1
495.16837	13.6
496.17154	2.5
498.16705	1.1
508.17789	1.2
509.18213	1.7
510.18732	0.7
512.13464	0.8
523.17743	0.7
526.14935	0.8
527.16815	0.6
533.18207	0.8
535.16406	1.4
536.17096	2.2
539.15674	1.2
540.17004	3.5
551.19440	31.9
552.19922	8.8
553.18970	1.5
554.19238	4.2
555.18726	0.8
568.16321	0.7
572.15363	2.6
586.17017	2.6
595.18250	4.3
619.67255	0.7
627.20996	100.0
628.21289	27.7
629.21454	2.7
630.21240	8.1
631.21936	0.9
655.48578	0.7
659.35699	0.9
690.23920	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02917	0.7
57.03334	4.2
59.01237	1.0
67.01810	0.8
69.03342	0.9
71.01281	1.4
71.11295	1.6
73.32024	0.8
81.03326	2.4
83.01263	2.9
85.02832	2.4
87.00756	1.4
93.03348	6.0
95.04909	3.2
97.02826	5.8
107.44699	0.7
109.02835	26.6
115.00227	1.0
121.02853	3.5
122.03672	1.1
123.04414	14.5
125.02334	17.5
135.04414	2.9
137.02359	10.6
138.03027	1.4
139.03900	3.0
145.02881	1.3
146.03630	1.8
149.02338	4.4
150.03122	3.1
151.03920	7.6
159.04433	2.4
160.05241	1.1
161.02347	1.7
161.06009	5.1
162.03148	1.0
163.03880	1.1
164.01131	3.6
165.01846	4.6
167.03342	1.6
168.60443	0.7
170.14264	0.8
173.04477	3.0
173.05922	1.2
175.03955	2.7
175.07504	2.7
179.03447	5.6
184.05295	0.7
187.03964	5.2
188.04649	3.6
191.05540	20.4
192.05919	0.9
201.05377	0.9
202.06308	1.7
203.07086	14.8
204.07471	0.8
205.05002	8.5
221.08154	2.8
227.07120	4.4
230.05838	0.9
231.02893	0.7
245.08128	19.0
246.08572	1.1
255.10315	0.9
269.05161	0.8
271.06064	1.2
289.07190	100.0
290.07507	7.9
305.06625	1.3
307.06061	0.9
401.14560	2.5
463.10788	1.5
499.12384	1.3
691.18719	11.2
692.19171	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.349
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87257	0.7
73.02831	0.4
75.16439	0.3
78.95795	0.5
107.04913	0.7
108.02067	0.6
109.02861	0.4
120.23254	0.4
121.02848	2.7
123.04391	0.7
134.03703	0.4
135.04428	13.8
136.05032	0.3
137.02353	2.9
146.03593	0.4
148.05212	7.9
149.02359	31.1
150.02718	1.4
151.03955	1.8
161.05994	1.5
162.03142	3.7
163.03879	0.7
163.07568	14.7
164.04713	55.5
165.05029	3.1
167.07068	0.7
170.07306	1.5
171.08049	2.1
174.06789	0.8
175.03897	0.6
179.07076	34.0
180.07465	1.7
185.09633	1.2
187.07651	0.8
188.08363	0.4
199.03926	1.0
200.04691	0.6
201.05542	1.2
202.06325	2.0
211.09724	1.3
213.05547	1.4
215.07098	25.0
216.07793	5.6
222.83878	0.4
229.08673	0.9
234.00809	0.3
239.14357	0.5
241.08765	0.6
256.14697	0.5
257.15445	0.8
258.16254	3.9
259.16336	0.4
269.11914	1.1
272.14194	0.4
273.18643	3.9
277.21667	0.7
283.13321	0.4
284.14182	28.0
284.46207	0.3
285.14655	2.4
287.16516	1.3
293.21225	0.4
299.16525	100.0
300.16855	10.5
317.17532	0.8
420.23029	1.3
435.25397	3.5
436.26236	0.7
446.20975	0.4
461.23199	2.6
462.23782	0.7
479.24277	1.0
510.54691	0.5
590.09973	0.4
673.78156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55480	0.4
57.03314	0.7
59.01251	3.5
60.94943	0.4
61.98706	9.9
64.32146	0.4
67.85727	0.4
68.44852	0.4
69.67422	2.8
71.01242	3.4
72.99191	0.4
73.02812	0.9
75.00742	0.5
80.02535	1.4
81.03324	1.2
83.04897	4.8
84.02047	0.8
85.02820	1.4
87.00746	0.8
88.98692	1.4
89.02309	1.9
93.03328	0.6
96.95892	1.9
97.11759	0.4
98.20531	0.6
98.95566	0.4
101.02325	3.1
109.02821	1.0
109.06489	0.6
113.02350	1.4
119.03355	0.7
121.02843	0.7
123.04396	1.7
125.02327	1.5
125.09605	1.2
127.11160	1.3
135.04330	0.6
137.02310	1.1
149.02351	0.7
150.76801	0.5
151.03883	1.4
153.05453	0.6
161.02278	0.7
161.04469	1.2
163.11230	2.5
165.01816	0.6
165.05508	1.1
165.09087	0.7
165.12772	1.6
166.13025	0.6
171.10191	1.9
175.03923	0.6
177.01846	0.9
191.10663	1.3
199.09576	0.6
201.11266	20.5
202.11641	1.1
205.04993	0.8
209.11774	100.0
210.12115	8.3
225.11241	0.6
227.12851	13.3
228.13091	0.9
233.08485	2.4
235.08226	2.0
253.09232	8.1
265.07196	0.9
289.07306	0.7
313.11279	0.5
357.26385	1.1
361.16556	1.0
362.16714	0.8
373.26056	0.7
375.21988	0.6
393.22995	0.5
437.20322	0.7
445.20624	2.2
637.32275	0.6
691.38013	0.8
692.36713	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.7
57.03313	2.0
59.01256	7.4
61.98706	35.8
69.03297	0.8
69.10004	0.6
71.01253	7.8
71.54220	0.7
72.99189	0.7
73.02809	1.9
78.95779	0.8
80.02565	0.8
81.03354	1.5
83.04485	0.8
83.04903	5.3
85.02814	3.2
87.00732	1.9
88.98681	1.3
89.02320	5.0
95.01245	0.8
95.04905	1.6
97.02849	1.3
97.06465	5.8
101.02328	5.4
108.02068	0.8
109.06452	0.7
113.02332	3.2
115.18864	0.6
119.03391	1.8
119.04938	1.1
123.04415	3.5
125.02345	2.4
125.09641	0.8
134.03653	0.7
138.01884	2.7
145.95999	0.7
147.41360	0.6
151.03911	1.2
151.11192	14.9
153.05504	3.4
160.01601	0.8
161.04480	2.7
163.11198	4.3
165.12737	1.9
169.12263	65.6
170.12579	2.8
171.10126	1.0
175.03961	1.0
179.82436	0.7
191.10669	0.9
193.05014	1.1
193.62656	0.7
195.10184	1.6
196.54640	0.7
209.11781	53.1
210.12090	3.8
213.11290	10.1
227.12885	4.6
235.08144	2.1
253.09358	4.2
254.22394	0.7
293.21323	1.5
349.18494	1.1
359.28064	4.3
360.28262	2.4
375.27463	1.2
431.19318	2.2
445.20966	0.7
449.20364	4.9
450.20715	0.9
545.48297	0.7
637.31970	1.0
641.32214	1.7
659.32837	100.0
660.33246	20.7
691.35339	7.5
692.35535	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	691.355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33931	0.2
55.01754	0.5
57.03316	0.4
58.00463	0.6
59.01252	16.0
60.01597	0.4
61.98704	14.4
69.03332	0.8
69.76370	0.9
69.76786	0.5
71.01257	13.4
72.01580	0.4
72.99190	1.2
73.02827	2.1
75.00748	0.4
81.03322	0.5
83.01256	1.3
85.02828	3.3
85.45910	0.2
87.00753	2.8
88.98700	0.3
89.02321	12.0
90.02645	0.4
95.01256	0.9
95.04925	0.3
97.02840	2.1
98.20548	0.3
99.00761	0.9
101.02322	9.8
109.02843	0.3
111.00714	0.3
111.08009	0.6
113.02333	4.8
114.02618	0.3
115.03890	0.4
119.03373	3.4
123.04445	0.3
125.02333	3.4
131.03410	0.8
133.04987	0.3
135.04370	0.3
135.42566	0.3
139.03848	0.3
141.01804	0.4
143.03416	1.6
149.04445	0.4
153.05498	0.3
161.04468	2.2
171.10069	0.4
175.03888	0.4
177.12802	0.3
179.05550	3.5
179.14372	0.8
181.12318	0.3
195.12051	0.4
195.13838	7.2
196.14352	0.8
205.12193	0.6
205.15973	0.5
209.11891	0.3
211.13344	1.0
217.07150	0.3
221.06595	1.0
223.13382	5.8
224.13783	0.9
225.15068	0.3
225.77991	0.3
228.13547	0.7
231.21121	0.3
235.08240	2.9
249.22122	0.3
253.09344	1.3
256.13098	0.7
263.07510	0.4
265.21860	0.5
275.20163	4.2
276.20581	0.5
277.09213	0.4
287.07843	0.5
293.21222	100.0
294.21558	10.2
305.08804	0.7
323.09882	0.6
357.26450	0.4
358.26572	0.4
359.27917	0.8
361.11179	0.3
375.27429	0.4
376.27740	0.4
397.13516	21.5
398.13947	2.1
415.14566	24.1
416.14938	2.7
612.37195	0.3
654.27252	0.5
691.36023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33221	0.3
55.01760	0.5
57.03307	0.7
58.00463	1.1
59.01252	15.9
60.45170	0.3
61.80627	0.3
61.98702	13.4
62.52398	0.3
63.00505	0.3
63.77171	0.3
69.03310	0.7
71.01250	14.8
72.99176	1.5
73.02806	1.9
75.00756	0.8
78.95762	0.5
83.01242	1.7
83.04926	0.4
85.02820	3.5
87.00751	2.6
89.02317	12.7
90.02661	0.5
95.01254	0.6
96.95835	0.4
97.02845	1.6
97.06499	0.3
99.00764	0.8
99.04408	0.4
101.02321	12.3
111.04373	0.4
113.02338	5.5
113.09593	0.4
119.03389	4.0
123.04373	0.9
125.02332	3.7
131.03386	0.5
135.73883	0.3
136.30901	0.3
139.03891	0.5
141.01810	0.5
143.03423	1.8
152.99472	0.4
153.05522	0.6
159.02898	0.4
161.04434	2.6
171.10153	0.7
175.42159	0.4
179.05534	3.1
179.14345	1.0
181.12227	0.4
185.04482	0.4
191.78261	0.3
195.13828	7.0
196.14389	0.7
199.07657	0.4
205.12274	0.7
205.15994	0.4
209.11818	2.2
210.12012	0.5
211.13298	1.0
221.06581	0.9
223.13365	6.3
227.12833	0.6
229.26689	0.4
235.08171	3.1
253.09264	1.2
256.13126	0.9
263.07623	0.6
265.21667	0.5
275.20215	4.2
276.20688	0.3
287.07715	0.8
293.21216	100.0
294.21533	10.0
305.08603	0.8
323.09869	0.6
359.28137	0.4
375.27591	0.4
397.13467	21.5
398.13925	1.6
415.14542	23.1
416.14703	1.8
654.27533	0.4
691.35266	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40791	0.9
52.87030	1.0
59.01249	4.2
61.98687	2.9
78.95782	40.4
80.02515	1.2
81.03332	1.2
83.04902	6.2
84.02024	2.3
85.57822	1.2
96.96833	3.9
98.19779	3.7
110.28080	1.0
122.49204	1.0
124.59498	1.0
135.08060	1.3
147.11749	1.1
150.97961	1.4
152.99490	64.2
163.11185	7.2
165.12740	2.7
171.00513	6.2
181.12376	1.3
191.10692	1.6
199.13197	1.2
209.11775	100.0
210.12102	6.8
227.03197	4.3
227.12837	11.5
229.35649	1.2
245.04137	2.2
253.19267	2.1
253.21729	26.9
254.21930	3.0
277.21777	4.7
362.35178	1.1
363.12128	9.1
381.13232	1.2
413.21024	2.1
437.15872	6.3
455.16885	97.2
456.17197	8.3
660.72253	1.2
691.38232	72.9
692.38269	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	691.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96532	0.9
59.01238	2.7
61.58677	0.9
70.27766	3.0
70.82708	0.8
74.41840	0.8
78.65229	0.8
78.95776	39.9
80.02541	2.0
81.03333	3.2
83.04898	7.6
84.02034	2.1
95.04900	1.3
96.96825	3.1
98.19808	1.0
115.62379	0.9
148.41180	0.9
152.99493	59.1
163.11221	6.1
165.12764	3.4
171.00540	6.1
181.12270	2.0
189.43214	0.9
191.10748	1.6
201.33820	1.1
209.11769	91.7
210.12148	5.5
227.03250	3.5
227.12834	11.8
238.87573	1.0
239.99275	1.0
245.04305	1.2
245.93105	1.0
253.21715	21.1
254.21976	1.9
277.21603	1.1
363.12039	8.8
437.15756	5.7
455.16861	100.0
456.17245	9.3
484.15781	0.9
571.68750	1.0
691.38245	78.0
692.38531	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45595	2.5
59.01249	21.2
61.98706	31.4
70.49255	3.3
71.01261	21.8
71.53504	2.6
71.53883	3.2
73.73409	2.7
74.74316	3.1
75.00769	2.6
78.95766	2.8
83.01258	3.9
85.02821	3.4
87.00740	4.2
89.02318	13.3
97.63070	2.7
101.02309	12.7
101.11128	2.9
105.25665	3.0
112.43642	2.8
113.02354	6.1
113.09547	4.3
116.92624	3.2
125.02330	4.5
132.02019	5.9
134.03642	7.1
160.01564	19.2
161.02301	4.4
171.10123	4.0
175.03926	10.1
179.05437	4.1
195.13959	13.7
204.13255	3.3
209.11766	51.1
211.11516	3.9
211.13367	53.6
212.13655	3.6
227.12851	13.0
235.08223	5.1
253.09340	4.8
277.21692	12.0
295.22800	100.0
296.23224	8.1
337.23581	3.5
355.24680	5.8
397.13528	20.8
415.14651	20.1
445.21054	4.8
447.22528	5.5
489.56271	3.5
517.29987	24.6
534.04260	3.6
693.33832	33.5
694.34802	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	693.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51964	0.4
54.62746	0.4
59.01252	100.0
60.01578	0.8
61.57077	0.4
61.98711	0.9
63.88429	0.3
67.31195	0.5
71.78343	0.3
74.06145	0.3
78.95768	2.0
80.82921	0.5
81.03302	0.5
83.04910	0.8
104.55267	0.4
125.02332	0.7
140.01088	0.7
140.77252	0.5
144.88531	0.4
150.12749	0.4
152.99600	0.5
163.11105	0.6
171.70665	0.4
196.03778	0.6
197.11740	0.4
209.11768	8.0
227.12907	1.8
248.84172	0.4
255.23247	3.3
277.21719	7.7
278.22180	0.6
452.28357	0.6
662.40894	1.1
694.43005	4.8
694.52374	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38406	0.3
52.66430	0.3
55.32024	0.3
55.48853	0.3
57.67648	0.4
59.01248	0.8
67.01772	0.4
70.02531	1.2
71.01238	0.5
85.02837	6.5
87.00755	1.4
93.03343	2.1
98.20445	0.4
109.02828	0.6
111.04409	1.2
127.03925	2.2
133.02919	0.4
135.04434	0.5
139.13527	0.4
161.02377	2.1
171.02910	0.5
173.04500	1.6
179.03433	1.0
180.19370	0.4
191.05562	100.0
192.05902	4.2
252.55943	0.3
353.08765	18.8
354.09201	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	695.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.3
59.01254	6.2
60.99172	0.9
61.98703	22.4
69.30668	4.8
69.31081	1.6
71.01251	7.0
72.99168	1.1
73.02800	1.6
75.00714	1.8
76.14513	1.0
83.01221	1.2
83.04909	0.8
85.02824	3.7
87.00719	1.1
88.98645	2.1
89.02292	2.8
93.03317	1.1
96.95864	2.1
98.20539	1.4
99.00765	0.9
101.02292	3.3
108.02007	1.6
108.43620	0.8
109.02805	2.2
111.00800	1.1
112.06107	0.7
113.02332	2.6
117.03362	5.0
119.04912	4.0
121.02825	2.1
122.03610	0.9
123.04350	3.0
124.01571	1.2
125.02319	3.9
129.01816	1.2
132.02069	25.5
133.01363	0.7
133.02794	3.0
134.03639	29.2
135.04330	2.6
136.01563	40.9
137.02208	3.5
139.03893	1.8
145.02859	11.5
149.02332	1.0
149.05994	5.1
150.03094	1.6
151.03923	40.5
151.08534	0.8
152.04237	1.2
153.05441	1.0
155.10704	0.8
159.04330	1.1
160.01573	94.5
161.02092	5.6
161.04428	1.1
162.03011	1.3
163.03938	4.7
165.01784	1.0
167.03342	1.3
175.03926	100.0
176.04440	5.9
177.01862	6.4
177.05428	0.9
178.02512	2.6
179.03355	3.2
189.05473	1.6
191.06993	2.6
192.69209	0.8
193.04987	22.1
194.05260	1.0
195.06519	0.8
202.02588	1.1
205.04906	1.2
217.05020	1.7
223.09758	0.8
235.05916	1.7
237.61238	0.8
243.02882	0.9
279.06522	2.1
289.07077	1.1
307.08112	3.1
312.10016	1.9
313.10510	1.1
323.07382	1.3
327.12274	6.5
328.12790	0.9
337.09274	98.7
338.09610	7.3
342.10880	2.7
343.11832	12.5
344.11945	1.0
357.09415	1.1
357.13422	11.7
357.26190	1.8
358.13647	1.6
373.25735	2.4
375.27121	2.9
395.63202	0.9
579.27747	3.1
605.30676	1.0
695.23016	33.0
695.32861	3.5
696.23077	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	695.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23822	0.8
54.69833	0.8
55.02004	0.8
56.57312	0.9
59.01248	5.1
61.98706	23.5
65.77909	0.7
71.01260	7.4
72.99178	2.1
73.02821	1.7
75.00739	1.7
82.41211	0.9
83.01249	1.0
85.02822	4.0
87.00712	1.0
88.98653	1.2
89.02299	2.7
95.01195	1.3
95.04876	1.1
96.95869	1.6
101.02282	3.6
108.02081	1.1
109.02789	2.5
111.00749	1.1
113.02290	1.9
115.00261	1.1
115.01187	0.8
117.03357	4.8
117.28928	0.8
119.04874	3.4
121.02759	2.9
123.04358	2.5
124.01511	1.1
125.02285	3.0
132.02083	19.9
133.01221	1.0
133.02765	3.1
134.03644	23.3
135.04298	3.3
135.08031	0.9
136.01573	34.7
137.02388	3.9
138.03000	1.1
145.01839	1.0
145.02863	14.7
146.03362	0.9
147.04341	1.4
149.05994	5.8
150.03127	1.5
151.03915	38.3
152.04227	1.5
158.03482	1.0
159.04268	1.2
160.01581	87.9
161.02171	4.3
161.04405	1.7
161.05826	1.1
163.03893	4.5
165.01854	1.3
165.05511	1.3
167.03365	1.1
175.03931	92.2
176.02811	1.0
176.04344	6.9
177.01883	7.6
177.05275	1.1
178.02519	1.9
179.03329	3.0
179.05334	0.8
187.03748	0.9
189.05412	1.0
190.02559	1.6
190.06171	0.8
191.06990	2.0
193.03395	1.7
193.04991	21.1
194.05260	0.9
202.02541	1.1
205.04977	2.3
205.53712	0.9
217.04935	1.8
233.08202	0.9
243.02788	1.2
257.86716	0.9
279.06638	1.0
289.07001	2.2
294.08591	0.8
307.07980	2.8
312.09991	1.5
327.12411	7.1
337.09305	100.0
338.09680	8.5
342.10724	1.4
343.11877	10.7
344.12094	1.3
355.24927	1.2
355.59845	1.1
357.09503	0.9
357.13434	13.8
357.26193	1.0
373.12622	1.7
373.25598	2.6
375.27246	2.0
382.93094	0.8
558.36542	0.9
579.28265	5.2
605.31122	1.1
695.22852	32.6
695.32483	3.0
696.22980	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	695.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88114	2.1
57.03323	7.0
62.95147	1.9
69.23699	19.9
72.10765	2.1
81.03330	6.7
83.01259	7.2
93.03358	4.1
94.29974	2.1
95.04927	7.3
97.02811	14.1
109.02850	37.3
121.02817	5.5
122.03615	2.7
123.04425	28.3
125.02335	24.5
129.32428	2.0
135.04440	4.4
137.02335	14.4
139.03903	6.9
148.83797	1.9
149.02348	5.9
150.03099	4.1
151.03918	12.6
159.04425	3.9
161.06017	8.9
163.03821	2.2
164.01071	5.1
165.01840	6.7
167.03412	3.2
173.05867	2.0
175.03990	5.9
175.07562	4.5
179.03435	7.2
187.03947	7.6
188.04694	5.6
191.05476	3.1
202.06155	2.5
203.07085	24.2
205.05016	9.6
211.83920	2.5
221.08109	2.6
227.07043	3.3
245.08122	24.8
271.84128	2.2
289.07205	100.0
290.07562	6.7
294.87708	2.0
559.39502	3.2
631.14319	2.6
636.98657	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	695.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
59.73823	0.4
60.01583	1.2
70.44621	0.9
70.44981	1.0
76.19373	0.4
78.95779	12.2
93.18076	0.4
100.24102	0.5
103.67028	0.4
123.47993	0.4
152.99471	0.8
205.15942	1.0
232.94164	0.4
279.23300	1.5
378.04883	0.6
427.18631	0.6
695.31140	50.3
696.13300	0.5
696.31555	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	697.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01589	1.1
61.98705	0.8
63.07696	0.2
69.72432	1.0
79.58543	0.2
90.28589	0.2
96.59267	0.2
97.30244	0.2
109.87586	0.2
111.31932	0.2
118.31668	0.2
121.02843	1.7
125.02338	0.4
171.10162	1.4
191.03461	0.7
209.04518	1.3
234.01085	0.2
253.09315	0.3
281.05783	0.2
289.18167	0.9
358.64627	0.2
458.87573	0.2
593.13196	1.2
617.04987	0.3
622.94861	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96076	3.0
53.02156	3.0
57.03321	14.4
59.01250	7.1
65.05782	3.1
70.54816	9.1
71.01254	7.9
75.00726	3.1
82.75462	2.8
85.02823	100.0
85.58114	3.5
86.03159	4.2
89.02325	3.6
108.74784	3.3
129.01823	10.1
141.31621	3.0
147.02916	14.2
163.03867	3.4
191.01938	48.1
191.05547	61.7
192.05861	16.7
192.50792	4.5
193.06010	11.6
209.02988	37.5
224.16066	3.6
239.69907	3.7
284.82727	3.3
341.10892	3.2
353.08658	5.4
355.06189	28.8
355.10437	7.7
517.94196	3.3
523.76318	3.4
622.13934	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	697.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.8
59.01252	1.6
61.98703	2.6
65.97863	0.5
69.40974	3.5
71.01247	3.4
83.01277	1.0
85.02821	1.9
87.00761	0.6
88.98653	0.5
89.02331	0.7
93.03373	0.7
93.40192	0.4
95.01272	0.5
101.02347	1.8
109.02843	1.3
111.00756	1.1
113.02335	1.4
117.03365	1.5
119.04900	0.9
121.02850	4.1
123.00793	0.5
123.04430	1.6
125.02325	2.5
132.02077	23.0
133.02933	2.3
134.03638	27.7
135.04498	2.4
136.01526	0.5
137.02342	2.0
139.03925	0.8
140.35422	0.4
145.02888	2.3
147.04413	2.0
149.02364	1.0
149.05992	4.8
150.03145	1.8
151.03986	1.0
153.05515	0.9
159.04465	2.9
160.01573	95.7
160.05168	6.4
161.01950	5.5
161.05952	2.2
162.03093	0.9
163.00198	0.5
163.03941	1.8
164.04680	1.4
165.01884	0.8
172.94661	0.4
173.05922	0.6
173.19446	0.4
175.03928	100.0
175.07382	5.5
176.04303	6.7
177.01894	0.9
177.05499	1.7
178.02623	1.4
178.06136	1.0
179.03397	1.4
188.04848	0.6
189.01825	0.6
191.07077	0.8
193.04991	21.1
193.08662	0.9
194.05330	1.3
202.02692	1.1
205.04964	0.5
217.01447	0.6
217.04955	2.3
235.05916	0.7
240.04465	0.6
245.04526	0.8
255.10184	1.0
269.08167	10.3
270.08594	0.7
271.09659	0.6
277.07175	0.7
281.08246	1.1
282.08798	0.5
283.09686	4.8
284.10126	0.6
298.12250	0.6
299.09235	6.1
300.09805	0.7
309.72009	0.5
310.11902	0.7
311.05777	0.7
311.09262	10.0
312.09564	1.3
312.25208	0.5
314.11630	12.6
315.12280	2.8
322.07040	0.8
325.10776	1.4
326.11572	8.4
327.11963	1.0
329.13931	22.4
330.14386	2.4
337.09293	90.5
338.09656	8.4
341.06747	1.0
341.13992	5.5
342.09415	0.4
342.14084	1.0
345.13513	1.7
451.10202	0.5
468.18201	0.5
697.24963	50.6
698.25305	13.1
729.75708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.5
61.98691	2.1
71.01250	3.6
71.54683	0.4
73.02817	1.0
82.91747	0.3
83.01280	0.4
85.02834	1.3
87.00773	0.8
88.98710	0.4
89.02344	0.5
93.03339	0.5
94.40551	0.3
95.04908	0.3
97.02837	0.4
101.02326	2.0
108.02017	0.5
109.02843	1.4
111.00767	0.7
113.02341	1.1
116.92699	0.6
117.03378	1.1
119.04928	1.4
121.02838	3.4
122.03681	0.6
123.04420	1.5
125.02316	1.8
132.02069	22.7
133.02895	3.8
134.03636	28.1
135.04507	2.0
136.01572	0.4
136.05186	0.4
137.02315	1.8
145.02875	1.9
146.03658	0.5
147.04424	1.6
149.02356	0.8
149.05956	4.4
150.03120	1.7
151.03886	1.0
153.05534	0.5
158.03627	0.6
159.04453	2.9
160.01575	100.0
160.05179	5.9
161.01967	4.8
161.05969	2.8
162.03165	0.5
163.03911	2.6
164.04648	1.1
165.01819	0.5
165.05264	0.4
167.98233	0.3
173.06001	0.8
175.03928	97.3
175.07317	4.7
176.04279	5.2
177.01839	1.1
177.05478	1.7
178.02646	1.3
178.06229	1.2
179.03386	1.4
183.04305	0.3
188.04712	0.4
189.01898	1.0
190.02597	0.6
190.06297	0.5
191.03433	0.5
191.07042	0.8
193.05000	23.2
194.05373	1.3
202.02646	1.0
203.03415	0.4
205.05013	0.6
217.04932	1.7
219.03059	0.5
221.04535	0.4
235.06010	0.7
240.04129	0.5
247.06332	0.5
254.05652	0.5
255.10239	0.9
269.08188	8.9
270.08594	1.1
271.09436	0.5
277.07111	0.6
281.08160	1.6
283.09766	4.7
284.10242	0.6
289.07193	0.4
294.09106	0.5
295.09732	0.6
296.10474	0.7
297.11420	0.5
298.12131	0.7
299.09213	6.8
299.12418	0.4
300.09723	0.8
307.08380	0.4
311.09222	10.3
311.12790	0.8
312.09647	1.1
314.11581	12.7
315.12231	2.9
322.06964	1.0
323.07742	0.5
325.10840	1.2
326.11584	8.2
327.12106	1.3
329.13931	22.9
330.14188	2.6
337.09286	89.0
338.09665	7.5
341.06985	1.7
341.13965	5.8
342.14474	0.4
345.13382	0.9
382.17099	0.3
451.10498	1.0
682.23041	0.5
697.25006	50.6
698.25201	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	697.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.9
59.01260	6.7
61.98706	24.3
69.03333	1.0
71.01261	6.3
72.99198	0.9
73.02817	1.1
75.00759	1.1
77.74749	0.6
80.16952	0.6
83.01257	1.3
84.69642	0.6
85.02839	2.6
86.00007	1.0
87.00755	0.9
88.98683	4.4
89.02330	2.0
89.03841	1.2
93.03361	1.4
95.04922	0.8
98.20562	2.0
101.02332	2.4
108.02074	2.7
109.02835	4.5
112.97286	0.8
113.02325	1.5
117.03351	5.3
119.04929	2.5
121.02858	2.6
123.04433	6.8
125.02338	3.9
132.02069	24.7
133.02904	7.0
134.03636	32.7
135.04453	7.4
136.01544	1.7
137.02327	3.5
139.03914	1.5
145.02916	3.9
147.04378	1.1
149.02319	1.3
149.05977	3.0
151.03920	3.2
153.05495	2.7
160.01575	100.0
161.02364	13.4
162.02985	1.0
163.03886	2.0
164.04637	1.2
167.03429	1.0
175.03926	94.1
176.01099	0.8
176.04268	5.7
177.01866	7.3
177.05536	1.0
178.02525	2.1
179.03438	6.6
179.07043	0.7
181.04953	0.9
187.03879	1.1
189.01895	2.3
190.02658	0.8
191.03311	0.9
193.04994	20.3
194.05470	1.3
195.02919	1.8
207.06732	1.2
209.11935	1.1
217.01228	1.0
223.06143	0.9
227.03465	1.2
235.06212	0.9
255.02832	0.8
269.07983	1.2
281.08194	1.3
282.08920	1.0
283.09619	1.6
284.03268	1.8
285.04047	5.0
289.07373	1.1
301.07007	0.9
307.08160	1.0
311.09180	0.9
314.11600	1.3
315.12305	1.0
326.11548	1.7
327.12314	1.4
329.13638	1.6
341.06714	3.4
341.13892	1.4
357.13788	0.8
357.26312	2.0
399.23868	0.8
451.10040	1.7
459.16791	1.1
473.17966	1.1
476.16714	0.9
485.17694	1.5
488.17178	0.9
491.19238	3.8
503.19153	6.5
504.19757	1.2
637.37354	0.9
667.23969	55.4
668.24243	11.5
679.23962	32.2
680.24139	7.2
697.22882	3.2
697.34711	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	699.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.3
60.99174	2.6
64.63594	1.3
65.00182	1.4
65.94131	1.2
72.97418	3.1
88.98679	5.0
89.80944	1.1
93.03361	1.4
96.50564	1.4
107.01261	2.3
109.02789	1.8
111.00742	2.1
121.02842	3.3
123.00748	1.6
137.02373	1.5
139.00310	1.4
147.79631	1.3
147.91818	1.4
151.00269	11.1
161.02335	1.5
163.00287	3.1
169.01363	2.2
178.99780	5.9
190.01346	1.5
193.43878	1.3
194.00934	1.4
226.02946	1.7
227.03458	1.8
240.33841	1.5
243.02910	9.5
254.02069	3.1
255.02968	28.0
271.02481	52.9
272.02905	5.7
300.02759	100.0
301.03430	41.0
302.03732	2.9
408.76175	1.3
609.14612	95.8
610.14929	17.6
700.47052	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	699.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92255	0.7
57.03323	1.0
59.01253	2.8
61.98709	2.6
62.93235	0.5
64.82716	0.5
69.19518	5.2
71.01260	3.7
72.10103	0.5
72.99173	0.7
73.02823	0.6
77.33147	0.6
79.33276	0.5
83.01273	0.6
85.02830	1.6
88.30146	0.5
89.02326	1.1
93.03354	2.2
101.02335	2.2
107.04078	0.5
108.02072	1.4
109.02831	5.9
113.02337	1.9
116.92779	1.6
117.03333	2.7
119.04933	2.9
121.02851	14.6
122.03629	10.4
122.04446	1.0
123.04448	3.4
124.01566	2.1
125.02332	1.9
129.03334	0.9
132.02066	13.7
133.02856	2.4
134.03639	26.6
135.04489	3.6
136.01611	0.7
137.02312	4.5
145.02869	3.4
146.03580	0.6
147.04442	6.9
148.05173	0.7
149.02322	1.8
149.05975	6.9
150.03127	1.1
151.03941	1.0
153.05450	0.7
154.02586	2.0
159.04443	0.7
160.01573	66.5
161.02043	3.8
161.06004	2.1
162.03149	0.7
162.06790	0.7
163.03851	3.0
164.04678	1.9
165.01828	0.9
165.05489	26.7
166.05847	1.0
175.03931	85.6
176.04274	4.1
177.01782	0.9
177.05476	1.3
178.02666	1.2
178.06252	0.7
179.03424	1.9
179.05460	1.0
179.07045	11.5
181.04906	0.6
189.30576	0.5
190.02661	2.4
191.07108	1.6
193.04999	23.4
193.06789	1.1
194.05324	1.4
205.04977	3.2
206.26593	0.6
209.08095	1.3
217.05020	1.6
219.06615	0.7
223.06094	1.1
223.09758	0.7
235.05875	0.7
245.07942	0.5
247.06169	0.6
258.96683	0.5
277.07159	1.1
289.07077	0.8
298.11917	0.7
299.01910	0.7
315.12439	1.7
316.12817	0.8
325.10715	1.5
331.15668	0.7
337.09293	100.0
338.09695	8.5
340.13287	1.1
346.14249	7.4
347.14938	4.5
361.16577	51.6
362.16983	5.4
383.15018	1.2
457.78897	0.5
489.18747	0.9
495.39188	0.6
501.19470	0.7
518.38470	0.6
519.20294	6.5
520.20776	1.1
537.21191	0.7
556.06488	0.6
699.26581	36.0
700.26990	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	699.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74417	0.6
57.03307	1.9
57.73243	0.6
59.00956	0.8
59.01255	20.2
61.98703	31.5
69.86922	1.5
71.01255	14.6
71.04861	0.6
72.99187	1.2
73.02825	3.2
75.00751	1.1
83.01244	1.7
83.02362	0.5
85.02825	5.6
87.00759	1.7
87.04372	0.6
88.98679	1.1
89.02316	7.7
95.01291	0.9
96.95893	1.3
98.19875	1.1
99.00748	1.3
101.02322	11.0
104.23676	0.7
106.52174	0.5
106.74856	0.6
109.02818	1.0
111.00737	0.7
113.02338	6.8
117.03382	0.7
119.03418	3.8
119.04892	0.6
121.02822	0.7
122.03629	1.8
123.04413	3.9
123.08019	0.7
124.01673	0.8
125.02335	2.2
125.05998	0.6
125.09596	0.8
136.01558	0.8
137.02341	1.4
137.05981	1.2
143.03363	0.9
145.02870	1.6
146.03596	1.2
149.02448	0.6
150.03134	0.7
151.03888	1.6
154.01421	1.4
159.02980	1.0
161.04482	4.6
162.03183	1.4
162.46742	0.6
163.03937	1.1
164.04683	1.2
165.05429	0.6
167.03416	2.3
171.10182	1.5
175.03885	0.9
177.01903	0.8
177.05481	1.4
179.03349	0.6
179.05539	2.1
179.07069	3.6
181.04974	3.9
182.05806	6.2
183.10181	1.2
185.11755	4.0
195.06532	2.0
196.06897	0.5
197.08150	15.8
198.08514	0.9
205.05061	1.0
227.16476	2.0
252.18573	0.6
297.24130	1.0
309.24365	1.6
311.22360	0.8
327.25397	13.9
328.25824	1.6
339.25360	4.8
341.27005	0.6
353.23380	1.4
355.24838	1.6
357.26468	100.0
358.26801	10.0
359.13470	36.6
359.18054	1.2
359.28281	2.9
360.13773	2.2
371.24289	1.6
373.25845	3.6
377.14813	0.6
515.28650	1.1
517.30609	1.0
533.29541	4.5
621.40173	8.6
622.40582	1.2
639.41437	4.2
699.38879	14.3
700.39673	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	699.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14922	0.4
57.03320	0.8
58.00474	2.7
59.01253	100.0
59.62495	0.3
60.01591	0.6
60.99190	0.6
61.60504	0.4
61.98706	10.6
71.01256	40.9
71.41093	0.9
72.01593	0.7
72.99176	3.4
73.02831	1.4
75.00755	0.5
83.01256	1.4
84.02116	0.3
85.02821	6.0
87.00748	3.8
89.02320	65.4
90.02660	0.5
95.01253	2.5
96.95878	0.4
97.02825	0.7
101.02328	22.1
107.03328	0.5
109.06470	0.5
113.02337	18.6
114.02640	0.4
119.03393	25.5
120.03754	0.7
121.02872	0.5
125.02325	0.9
131.03413	4.3
134.03674	0.5
139.70499	0.4
143.03412	8.5
149.04483	2.8
161.04468	10.1
164.04683	0.5
171.10147	2.7
172.46584	0.4
179.05540	47.9
180.04161	1.6
180.05786	1.2
182.02057	1.4
195.06491	1.4
197.04411	1.6
205.15854	0.4
209.11748	0.5
211.51263	0.4
241.05009	0.5
242.05779	0.7
244.73630	0.4
249.14848	1.1
257.08096	1.3
341.26761	0.7
357.26151	0.5
359.28101	3.8
403.24612	0.8
459.34644	0.9
621.32935	1.0
639.32745	1.5
639.40698	2.3
640.32678	0.8
640.41943	0.6
651.25464	0.5
663.25836	0.8
699.37738	1.3
713.60248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01590	1.0
89.87477	0.3
145.46957	0.3
163.95932	0.4
183.52342	0.4
283.35144	0.3
302.56223	0.4
376.83734	0.4
437.12579	1.2
438.13211	3.7
439.13696	0.8
451.14133	0.8
452.14838	2.1
453.15424	0.7
466.12070	0.4
467.13101	0.5
480.14404	0.8
481.15161	33.3
482.15448	9.1
486.12759	0.4
495.09412	0.6
495.16788	12.9
496.17404	3.3
497.18472	6.0
498.18768	0.8
514.14642	2.8
515.15631	0.5
523.16510	0.5
525.14056	1.1
526.14856	0.6
539.15466	2.4
540.16443	8.1
541.16687	1.8
551.19727	0.6
553.17413	0.6
554.18182	2.9
555.18866	61.5
556.19147	14.0
567.18793	1.0
569.20508	0.4
572.15515	16.9
573.15656	3.1
586.16980	5.9
587.17487	1.5
609.19891	1.0
627.21204	1.4
641.22583	29.2
642.22729	7.1
658.19098	0.5
663.33514	0.4
697.11761	0.5
701.24689	65.0
702.24976	18.6
702.79950	0.4
714.10345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
61.98707	1.4
67.00487	0.9
70.01739	1.0
70.02071	3.9
70.80646	1.0
73.21455	0.8
78.95760	1.3
79.58569	1.0
87.43391	0.8
125.02301	1.1
157.18379	0.9
255.23262	2.4
380.19147	1.2
393.83777	1.0
395.08487	1.1
437.12711	1.2
438.13321	4.1
439.13446	1.8
452.14871	2.2
453.15137	1.0
480.14337	1.2
481.15216	46.7
482.15421	9.7
495.16742	10.6
496.17108	3.6
497.18314	7.1
498.18454	1.4
514.15027	1.8
523.17188	1.1
539.15460	2.2
540.16583	11.0
541.17053	2.2
553.17004	1.3
554.17883	3.0
555.18878	73.6
556.19037	16.9
567.18750	3.4
569.20453	1.6
572.15491	22.2
573.15411	4.3
586.17206	5.1
599.21649	1.4
600.19122	1.0
609.19958	1.3
627.20746	1.4
641.22534	34.5
642.22894	8.2
658.19617	1.6
701.24658	57.8
702.24896	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	701.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46109	0.2
59.01254	6.6
61.98696	1.2
71.01247	1.3
74.48095	0.3
78.95776	0.9
79.45392	0.3
79.84332	0.3
83.04892	0.4
85.02808	0.4
87.00759	0.4
87.83226	0.2
89.02326	1.1
90.06032	0.2
98.19751	0.6
101.02318	1.0
105.05006	0.3
108.31871	0.3
113.02304	0.8
119.03362	0.4
148.05231	0.3
152.99509	0.3
161.04489	0.8
165.12715	0.3
167.14264	0.5
170.00806	0.3
171.10162	0.6
183.13834	6.0
184.14244	0.4
193.12270	1.5
197.21205	0.2
209.11848	0.4
211.13341	100.0
212.13683	5.8
235.08234	1.6
253.09247	4.0
254.92433	0.3
265.62894	0.3
277.21906	0.4
295.22733	1.1
429.21402	0.9
442.00235	0.3
447.22360	7.7
448.22678	0.8
623.34412	1.2
641.35181	0.4
701.38947	0.8
702.40204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72585	0.4
52.98048	0.4
57.03325	2.0
58.00473	0.4
59.01248	6.3
61.98702	20.7
69.03323	0.8
71.01260	7.3
72.99156	0.6
73.02812	1.5
75.00735	1.3
83.01267	1.3
85.02829	3.1
87.00751	1.3
89.02312	3.7
95.01305	0.4
96.95883	1.4
98.20572	0.9
99.00777	0.6
101.02319	4.1
105.11973	0.4
109.02839	0.5
113.02312	2.8
119.03429	2.0
119.04906	1.5
121.02819	0.4
122.03608	1.1
123.04394	1.5
125.02338	1.1
135.04391	0.6
137.02335	1.1
137.05992	2.0
137.09572	0.5
141.12704	0.8
143.03386	0.6
145.02802	0.8
150.03185	0.4
151.03908	0.7
153.05530	0.5
153.88943	0.5
154.01372	0.7
155.63634	0.4
159.02963	0.5
161.04507	2.7
163.03857	2.3
164.04724	0.6
165.01831	0.4
165.05412	0.4
171.10219	0.6
175.04044	0.5
179.03429	0.4
179.05478	1.2
179.07053	1.9
180.04204	0.4
181.04961	0.7
182.05772	4.4
183.10220	0.9
185.11710	0.5
195.06599	0.9
197.08145	10.2
205.05109	0.4
209.11757	1.9
249.84114	0.4
295.22534	0.4
311.22403	0.6
311.25821	1.0
313.23788	4.8
314.24280	0.6
341.27002	2.4
343.13995	0.5
355.24786	0.6
357.26517	1.8
358.27097	0.6
359.13498	26.1
359.28027	100.0
360.13831	2.8
360.28372	10.9
373.14142	0.4
373.26025	1.2
373.30145	0.4
375.27481	3.5
517.30121	0.8
535.31415	2.5
623.41406	0.6
641.42175	1.1
647.72180	0.4
701.30212	0.4
701.41235	8.1
702.42334	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34170	0.3
56.48888	0.3
59.01250	2.9
69.67679	1.9
71.01249	2.5
73.02810	0.7
80.02560	0.5
81.03339	0.9
83.01283	0.6
83.04898	2.2
84.02029	0.3
85.02835	1.0
85.74461	0.3
87.00743	0.6
89.02333	1.4
95.04948	0.4
97.96786	0.3
101.02327	3.0
110.28732	0.3
113.02324	1.3
119.03416	0.4
125.06036	0.4
133.04993	0.5
135.08038	0.4
142.64091	0.3
145.04971	0.7
161.04465	1.0
163.11189	2.6
165.12785	1.3
191.10800	0.4
209.11778	60.8
210.12111	3.8
227.12837	7.7
235.08209	6.1
253.09271	6.9
254.09648	0.4
255.23277	100.0
256.23621	7.9
295.22763	1.3
296.20172	0.3
383.54111	0.3
445.20560	0.4
491.32431	0.5
701.47809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	36.0
60.99153	1.1
61.98703	100.0
70.08469	2.4
71.01258	14.4
73.02805	2.4
75.00743	2.1
83.01246	1.7
85.02829	4.2
87.00740	2.0
88.98685	4.5
89.01805	1.2
89.02315	8.2
96.95905	0.9
99.00773	1.0
101.02326	7.8
113.02347	5.0
119.03384	3.8
125.02376	1.9
131.71819	0.8
137.02312	1.1
141.58243	0.8
150.03125	1.1
153.05417	1.0
159.02937	1.1
161.04437	5.2
165.05495	2.8
179.05498	3.1
179.06946	1.2
193.04822	0.8
200.09016	0.9
209.11835	1.9
278.59476	0.9
343.28375	1.7
352.65256	1.1
357.11438	0.9
479.37500	11.2
480.37894	1.5
505.38034	0.9
641.42749	33.1
642.43347	7.4
710.73944	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91610	1.0
51.78625	1.1
57.03308	1.6
58.00455	2.5
59.01252	70.0
61.98703	44.1
71.01256	30.4
71.53645	1.3
72.99186	3.5
73.02816	3.6
73.63701	1.0
78.95747	1.1
79.90886	1.1
81.28114	1.0
83.01253	2.8
85.02820	8.9
87.00768	1.8
89.02318	24.8
95.01276	1.5
97.53101	1.0
99.00727	1.5
100.98779	1.1
101.02323	19.0
113.02340	12.3
115.07541	2.9
119.03406	9.6
123.04443	1.1
125.02356	1.6
131.03461	1.1
143.03351	1.3
151.03882	1.3
154.30466	1.0
161.04460	5.4
164.04820	1.1
171.10236	1.2
179.05521	3.6
202.88264	1.1
204.06500	1.1
209.11729	4.4
211.13356	1.2
223.13300	3.9
253.09306	1.1
363.29095	1.9
479.37497	20.7
480.37634	2.1
571.36115	1.4
597.40436	1.7
641.42694	100.0
642.43024	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	702.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45180	0.1
59.01248	0.9
61.98704	100.0
62.98410	0.2
64.33645	0.1
71.01258	0.5
71.53861	0.1
72.01591	0.1
73.02847	0.1
75.00751	0.4
85.02834	0.2
88.98704	0.2
89.02322	0.4
101.02336	0.3
113.02346	0.2
119.03375	0.1
123.54713	0.1
125.02368	0.1
145.02815	0.1
151.03969	0.1
161.04410	0.1
179.05566	0.2
183.10112	0.2
197.11694	0.1
209.11902	0.1
220.37611	0.1
287.37411	0.1
642.43378	0.3
702.40747	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41147	1.0
57.03312	1.7
59.01252	5.7
59.74295	1.0
61.98705	28.9
62.30800	1.0
64.10569	0.9
65.48907	0.9
68.99692	1.4
69.03317	2.5
71.01254	4.9
71.03079	1.5
71.04881	1.6
72.99174	1.5
73.02782	1.3
74.72472	1.0
81.03310	2.9
83.01261	6.8
88.98621	1.0
89.02271	1.8
93.03315	4.5
95.01246	3.2
95.04899	2.1
97.02832	8.0
101.02328	1.6
102.91476	1.0
103.05394	1.1
106.13153	1.0
107.04906	1.6
108.02039	2.6
109.02837	41.0
110.03186	1.8
111.00722	1.7
111.68452	1.0
113.02308	1.3
116.92706	2.0
121.02848	8.6
122.03597	3.3
123.00779	7.3
123.04399	26.9
124.01520	2.2
125.02345	11.5
127.00291	1.5
133.02777	1.7
134.03619	1.2
135.04419	5.1
136.01576	1.4
136.98793	1.0
137.02350	34.7
138.02028	1.1
138.03165	8.0
139.00294	7.7
139.03915	20.8
145.02838	2.5
146.01518	1.0
146.03571	1.6
147.04390	6.1
148.01576	1.2
148.05067	1.2
149.02351	32.0
149.09431	1.1
150.03175	5.1
151.03909	25.2
153.01816	2.6
153.05496	5.2
154.02580	1.9
159.04384	3.4
160.01517	2.6
161.02338	12.3
161.04449	1.2
161.05992	3.1
162.03099	4.1
163.03903	8.5
164.01057	3.0
164.04704	2.6
165.01860	6.1
165.03067	0.9
165.05466	3.5
166.02559	1.3
167.03438	6.3
173.05835	1.7
175.03973	6.1
175.07471	2.1
176.01044	7.5
177.01852	8.8
177.05434	1.4
178.02565	5.2
179.03415	6.4
187.03891	3.5
188.04578	1.4
189.01863	2.2
190.02594	4.5
190.04178	1.0
191.03423	13.0
192.03987	1.9
192.19699	1.2
195.06523	1.7
197.05997	3.6
201.05458	3.5
202.06125	1.4
203.03452	3.9
203.07031	5.4
204.04181	1.7
205.05000	12.1
206.05608	1.6
213.05467	11.3
215.07080	41.6
216.07483	3.5
217.01318	3.0
217.04953	3.7
218.05600	1.4
219.06563	2.5
221.08092	1.3
224.56500	1.1
231.02966	2.4
235.06116	1.1
239.07074	1.3
241.04965	2.2
245.04446	1.7
245.08148	6.5
247.06187	4.9
255.06621	2.9
257.08182	11.2
258.08578	1.4
259.05994	1.1
265.07108	1.2
267.06647	1.3
271.06128	1.2
281.07928	1.1
283.06079	2.6
285.04044	1.0
289.07175	31.6
290.07468	2.5
301.07172	100.0
302.07513	9.8
315.08597	1.9
317.10138	1.2
341.10065	1.3
371.07675	1.6
373.26233	1.2
375.27365	2.8
401.12314	4.3
411.14395	2.6
413.12512	1.7
461.15933	1.6
479.16611	2.2
505.15134	3.0
507.22174	1.8
523.16034	22.3
523.23633	1.3
524.16437	2.8
549.13971	11.2
550.14191	1.9
633.94080	1.1
667.39124	3.4
685.19208	7.5
686.19269	1.3
703.20227	41.3
703.30505	2.0
704.20685	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	704.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09289	0.1
54.49562	0.1
59.01254	5.6
60.01587	0.4
61.01674	0.2
61.98705	100.0
62.98400	0.1
65.09786	0.1
69.95692	0.1
69.95994	0.4
74.17343	0.1
75.86647	0.1
88.10833	0.1
96.71742	0.1
113.60062	0.1
144.04796	0.1
173.70627	0.1
250.89651	0.1
267.53320	0.1
279.23462	0.1
305.75134	0.1
402.48566	0.1
440.12970	0.1
441.13940	0.1
453.23584	0.1
455.15295	0.2
457.03046	0.1
482.15485	0.3
483.15540	0.6
484.15506	1.3
485.15814	0.1
496.16879	0.1
497.16809	0.3
498.17380	0.6
499.18307	0.2
500.18390	0.2
517.15112	0.1
542.16437	0.2
543.16943	0.3
556.19336	0.2
557.18976	1.3
558.19196	2.4
559.19501	0.1
574.15527	0.2
575.16193	0.5
588.17236	0.1
589.17261	0.3
643.22748	0.3
644.23047	1.3
645.23419	0.2
681.93225	0.1
703.25146	0.4
704.24487	3.6
705.23792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.2
61.98704	100.0
62.98405	0.2
65.26458	0.1
71.54435	0.2
85.54076	0.1
88.98704	0.1
94.19149	0.1
100.42260	0.1
125.02315	0.1
135.90724	0.1
167.07600	0.1
211.13376	0.3
262.04828	0.1
268.04233	0.1
501.26785	0.1
581.22412	0.1
682.03595	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55585	0.2
59.01241	0.3
61.98705	100.0
69.56834	0.2
70.02902	0.7
78.95802	0.4
81.43055	0.2
133.88770	0.2
209.11902	0.3
211.13373	0.9
212.13797	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.9
59.89811	0.2
61.98705	100.0
66.08053	0.1
71.01264	0.4
72.74086	0.2
73.02855	0.3
85.02863	0.2
88.98725	0.4
89.02299	0.3
101.02357	0.2
113.02345	0.3
116.92749	0.4
123.04445	0.4
137.02441	0.2
151.03896	0.2
161.04535	0.3
171.10271	0.2
181.12111	0.2
197.11780	0.2
207.10159	0.2
225.11371	0.3
279.57605	0.2
289.07086	0.2
357.26672	0.5
373.25909	0.4
391.26953	0.2
491.13120	0.2
563.62628	0.2
703.43005	0.2
704.43121	0.3
705.35339	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71339	2.2
59.01245	6.3
61.98705	100.0
71.01249	8.5
71.21172	2.6
71.21508	4.7
74.98575	2.3
79.95604	2.9
80.96366	3.5
88.19782	2.1
89.02319	2.8
97.02827	3.2
101.02261	3.2
125.02309	6.2
137.02304	3.1
163.11162	2.9
165.32436	2.3
195.13791	3.7
197.11742	3.9
205.12259	3.2
209.11771	39.4
211.13428	3.7
212.64680	2.5
223.13350	50.5
225.11269	2.8
226.64960	2.7
227.12860	15.9
253.09225	4.7
265.95627	2.8
383.01007	2.4
459.22644	12.0
624.11060	2.6
705.31952	22.9
706.32617	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	705.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97043	1.1
57.03338	3.2
58.00481	1.1
59.01254	53.7
61.98380	2.4
61.98707	49.4
71.01258	22.7
71.34133	1.0
72.99203	1.8
73.02822	6.8
75.00732	1.3
80.02556	1.5
81.03320	2.2
83.01273	4.2
83.04903	15.6
85.02836	10.8
85.06478	1.3
87.00779	2.6
88.98679	1.8
89.02316	7.3
93.03352	1.1
95.01286	1.6
96.95884	2.3
97.06488	1.3
99.00725	2.5
99.04398	1.9
101.02327	14.2
101.33812	1.2
111.00790	2.1
111.04414	9.0
113.02325	7.8
119.03377	2.7
119.04952	1.3
123.04413	2.5
125.02323	4.3
127.03912	11.0
129.05478	10.0
137.02335	1.3
141.09129	2.0
144.29825	1.1
149.02348	1.6
150.03127	1.9
151.03845	1.8
152.04674	2.2
160.01515	1.3
161.02361	1.6
161.04518	5.2
163.03979	1.4
163.11201	3.3
165.01837	1.4
165.05464	1.4
165.12663	1.7
171.10101	1.9
175.03963	1.3
209.11778	100.0
210.12169	7.8
225.11240	1.3
227.12872	16.0
228.13275	1.2
235.08322	1.7
253.09270	6.5
289.07126	1.6
307.19250	1.6
343.11539	1.5
357.26331	2.4
359.28049	2.0
371.28650	1.3
373.26004	3.3
375.27466	3.7
376.85580	1.1
409.67883	1.1
439.34131	3.0
465.32190	1.3
507.22714	1.4
515.32208	2.3
549.36456	1.2
601.29944	1.4
601.39465	21.9
602.39905	3.8
627.37494	44.1
628.37921	8.1
643.27966	2.3
643.40820	3.0
645.38483	3.1
687.39740	17.5
688.40167	2.9
705.41144	9.6
706.40973	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	706.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.6
61.98704	100.0
69.31523	1.5
69.31946	1.0
70.46374	0.3
71.01257	1.4
72.99178	0.3
73.02838	0.3
78.90569	0.3
83.01260	0.7
83.42450	0.3
85.02833	0.5
85.23443	0.3
87.00769	0.7
89.02326	1.2
93.03336	0.4
95.04922	0.4
96.96957	0.3
97.02858	0.4
98.20436	0.8
101.02347	1.0
108.02122	0.3
109.02842	2.2
111.00790	0.7
113.02329	0.7
115.00259	0.4
117.03380	0.3
117.35081	0.3
119.03394	0.5
119.04962	0.5
121.02841	0.6
122.03660	1.5
123.00739	0.4
123.04390	1.4
123.81935	0.3
124.01543	0.4
125.02349	1.7
135.04417	0.7
137.02362	4.5
137.03336	0.5
138.03152	0.3
138.17752	0.4
139.03946	0.7
145.02885	2.4
146.03345	0.4
147.04434	0.4
149.02371	1.3
150.03160	0.6
151.03935	1.4
159.04416	0.6
161.02382	1.0
161.05994	0.9
163.00316	0.4
163.03969	0.9
164.01129	0.8
165.01849	7.3
165.05507	0.8
166.02473	0.4
167.03452	0.3
175.02429	0.8
175.03926	0.6
177.01863	0.6
179.03442	1.1
187.03990	0.4
191.03380	0.3
193.05074	0.4
201.05444	0.3
203.03586	0.3
203.07076	1.6
205.05063	2.3
247.06259	0.5
288.06427	0.4
289.07254	0.9
307.08286	0.6
314.11459	0.3
395.22510	0.4
416.98904	0.3
419.22531	0.6
481.22440	0.6
491.23364	0.5
599.28003	0.4
604.31073	0.3
643.27582	32.2
644.27966	6.8
669.25500	0.3
670.25854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.4
58.00487	0.3
59.01246	2.8
61.98703	100.0
67.74767	0.2
69.03343	0.3
71.01257	2.1
71.54953	0.3
72.99205	0.3
73.02836	0.3
75.00765	0.2
83.01255	0.8
85.02834	1.1
89.02311	1.2
93.03341	0.4
95.01255	0.5
96.95892	0.3
97.02852	0.7
101.02331	1.0
108.02062	0.4
109.02870	2.0
111.00792	0.3
113.02328	0.9
119.03413	0.5
121.02862	1.2
122.03635	1.6
123.00708	0.3
123.04411	2.0
124.01557	0.7
125.02346	1.7
129.81134	0.2
135.04425	0.7
136.01541	0.3
137.02341	6.0
138.02994	0.4
139.03894	0.7
145.02849	0.3
149.02322	1.2
150.03114	0.8
151.03929	1.7
154.02626	0.6
159.04424	0.5
161.02357	1.0
161.06000	1.0
162.03206	0.3
163.03902	0.4
164.01057	1.5
165.01849	8.8
165.05481	0.8
166.02357	0.6
175.03897	0.4
177.05463	0.4
179.03395	1.0
187.03983	0.5
188.04723	0.2
193.04910	0.3
201.05586	0.3
203.03423	0.2
203.07082	1.9
205.05002	2.3
209.11916	0.3
231.03000	0.4
244.07375	0.6
247.05998	0.5
288.06375	0.5
289.07217	1.3
329.13937	0.5
334.31201	0.2
341.14325	0.3
350.21191	0.3
377.21030	0.3
386.13525	0.2
419.22299	1.0
468.13751	0.4
491.23059	0.6
599.28363	0.3
643.27570	34.7
644.17834	0.4
644.27954	7.1
706.31506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12057	0.1
54.15919	0.1
57.03319	0.1
57.90622	0.1
59.01252	0.6
61.98705	100.0
62.98396	0.2
71.01260	0.3
71.87048	0.1
83.01261	0.3
85.02834	0.1
87.00760	0.5
89.02341	0.3
95.01302	0.1
96.95943	0.1
97.02842	0.2
101.02348	0.3
108.02068	0.2
109.02872	0.4
111.00815	0.1
113.02320	0.2
117.03334	0.1
119.04939	0.3
121.02856	0.4
122.03613	0.3
123.04444	0.5
124.01598	0.1
125.02325	0.5
137.02351	1.1
145.02913	0.4
149.02354	0.3
150.03154	0.2
151.03911	0.3
153.05472	0.2
161.02379	0.4
161.06001	0.2
163.03925	0.2
164.01126	0.2
165.01834	1.5
165.05583	0.2
167.03421	0.1
175.03922	0.2
177.01912	0.1
177.05475	0.1
179.03477	0.4
183.10229	0.1
203.07156	0.3
205.05061	0.3
209.11787	0.1
289.07269	0.2
300.02490	0.2
315.40054	0.1
325.07141	0.1
375.10950	0.6
479.22687	0.1
481.22601	0.2
490.94757	0.1
491.23108	0.3
497.14481	0.2
519.22162	0.1
609.13800	0.1
643.27594	8.2
644.27905	1.4
706.32245	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	706.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.5
58.49306	0.3
59.01255	2.1
61.98703	100.0
69.03312	0.4
69.24689	1.8
69.25117	0.7
71.01254	2.2
73.02831	0.3
83.01260	0.5
85.02834	0.7
88.98729	0.4
89.02341	0.9
93.03326	0.3
95.01279	0.5
96.95914	0.8
99.00719	0.6
101.02341	1.5
106.17048	0.3
109.02840	0.8
111.00758	0.3
113.02348	1.0
119.04941	0.6
121.02879	0.4
122.03645	0.5
123.04409	2.3
125.02336	1.6
132.02094	0.5
134.03653	1.1
137.02347	1.5
139.11166	0.3
145.02859	0.7
149.02419	0.7
150.03140	1.0
151.00357	0.4
151.03931	1.1
153.05508	2.2
160.01582	1.3
161.02400	0.4
161.04492	0.4
163.03893	0.3
165.01758	1.5
165.05527	1.1
167.03452	0.4
175.03960	1.6
178.02530	0.3
179.03346	0.6
183.10229	1.0
184.10510	0.4
193.05074	1.0
195.06631	0.5
197.11768	0.3
203.07178	0.4
205.05099	0.7
207.10310	0.5
209.11838	0.7
210.12210	0.4
225.11371	0.3
226.11786	0.5
233.08511	0.7
244.33820	0.3
272.02737	0.3
289.07288	0.5
300.02563	0.4
351.11026	0.4
373.26169	0.6
375.27560	0.6
393.11835	0.5
427.44528	0.3
487.66498	0.3
492.19577	0.6
496.13440	0.5
575.89886	0.3
643.27551	6.9
644.28180	1.8
705.33276	0.3
706.33508	2.4
707.35138	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34192	0.1
59.01256	0.3
61.98705	100.0
62.98401	0.2
66.99674	0.1
69.34726	0.2
69.35147	0.4
71.01273	0.3
73.02851	0.1
83.04897	0.1
87.00781	0.1
88.98702	0.3
89.02316	0.1
106.35100	0.1
125.02362	0.2
145.88672	0.1
151.03952	0.1
153.05624	0.1
165.12770	0.2
183.13832	0.8
184.14215	0.4
209.11763	1.0
210.12155	0.4
213.15825	0.1
227.12897	0.1
247.51114	0.1
289.07538	0.1
292.93137	0.1
526.83228	0.1
552.18884	0.1
664.35785	0.1
673.34296	0.2
674.34918	0.9
675.34418	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	706.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.6
60.53917	0.2
61.98705	100.0
62.98400	0.2
63.99140	0.2
70.37309	0.1
71.01257	0.7
72.99216	0.2
85.02843	0.2
87.00748	0.2
88.98695	0.5
89.02318	0.3
95.53237	0.1
96.14308	0.1
98.20522	0.2
101.02338	0.3
109.02863	0.1
113.02373	0.2
119.03406	0.1
123.04413	0.3
125.02336	0.4
137.02362	0.2
139.03998	0.2
151.03929	0.2
161.02406	0.2
161.04443	0.2
163.03995	0.2
167.03445	0.2
177.01897	0.3
209.11790	0.4
289.07062	0.2
357.26840	0.2
358.26691	0.2
359.28207	0.4
360.38345	0.2
375.27301	0.2
376.27527	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.5
71.01252	0.5
71.08801	0.1
73.02802	0.2
75.67521	0.1
81.03332	0.2
83.04920	0.1
85.02822	5.1
87.00753	1.0
90.94280	0.1
93.03331	1.8
96.90566	0.1
99.00798	0.1
99.04409	0.2
109.02835	0.5
111.04398	0.8
113.02322	0.1
125.02293	0.2
127.03909	1.4
133.02858	0.4
135.04433	1.0
161.02344	1.9
171.02904	0.5
173.04482	1.2
179.03426	0.9
191.05542	100.0
192.05878	3.7
192.57553	0.1
294.75098	0.1
351.06717	0.1
353.08765	11.9
354.09106	1.1
580.78937	0.1
592.64880	0.1
651.95636	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	707.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26355	1.0
55.01744	1.0
57.03329	2.1
58.00483	1.2
59.01251	31.2
61.98379	1.6
61.98704	29.6
69.03329	2.4
71.01256	25.9
71.54283	1.4
71.54708	1.2
72.99185	3.6
73.02820	3.6
75.00729	1.2
80.96382	1.5
81.03335	1.8
83.01254	3.3
85.02814	5.8
87.00762	5.9
89.02322	27.0
93.03358	1.4
95.01263	1.5
96.95950	1.3
97.02841	3.3
99.00811	0.9
101.02324	26.1
107.04897	1.1
109.06543	1.0
111.04388	1.1
111.08049	11.5
113.02338	9.5
115.03886	0.9
119.03362	6.6
119.04879	1.1
123.04405	1.7
124.01546	1.0
125.02359	6.0
131.03418	2.3
133.04985	1.0
135.04451	1.2
143.03412	4.2
149.04422	1.5
161.04462	6.7
162.72603	1.3
167.03479	2.1
167.10675	1.5
177.12810	2.7
179.05556	5.1
179.10667	1.5
182.17924	1.0
185.04550	1.2
185.62399	1.0
193.05064	1.2
195.13828	7.5
199.98256	1.0
221.06599	2.2
235.08246	5.7
247.20610	2.6
273.18533	1.6
277.21582	1.7
285.03943	1.2
291.19659	100.0
292.20004	9.0
397.13531	13.7
398.13998	1.6
415.14539	13.6
494.23346	1.2
707.33728	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	707.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65411	0.7
57.46195	0.7
59.01247	2.9
71.01250	2.3
71.24336	0.8
78.95769	3.9
80.03983	0.7
89.02312	1.6
96.96833	0.8
99.18945	0.7
101.02305	2.1
109.06449	2.0
113.02284	0.9
152.99414	3.8
161.04469	1.1
171.00513	0.9
172.17686	0.7
179.05652	0.8
183.13803	5.4
184.74129	0.7
193.12222	1.6
207.10190	2.1
211.13333	100.0
212.13649	6.3
225.11290	2.7
235.08194	2.0
253.09274	6.1
253.21826	1.1
257.91946	0.7
277.21710	58.8
278.22006	5.9
447.22217	4.8
453.15421	4.8
655.03015	0.8
689.36804	1.0
707.35577	1.0
718.56775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.5
56.83435	1.1
57.03312	4.3
57.64289	1.1
59.01252	15.4
60.99172	1.4
61.98707	36.3
69.03335	1.4
71.01262	13.8
71.04868	1.6
71.46086	2.1
73.02828	3.8
75.08502	1.3
80.96375	2.2
82.95987	1.6
83.01261	3.4
85.02836	4.6
87.00761	3.0
88.98202	1.4
88.98691	5.5
89.02303	9.8
96.95914	2.7
97.06480	3.1
99.00771	1.4
101.02323	8.0
109.02833	2.8
109.69018	1.0
113.02338	4.0
116.92780	1.9
117.03355	5.5
119.03329	2.5
119.04895	3.3
121.02830	2.9
123.04413	3.9
125.02332	11.5
125.09605	1.5
130.43353	1.2
132.02078	18.3
133.02849	3.5
134.03639	28.1
135.04390	3.7
137.02364	4.5
145.02841	7.5
149.02344	1.6
149.05956	3.9
150.03134	2.0
151.03893	2.2
153.05478	1.8
154.66331	1.4
160.01579	64.5
161.02333	18.1
163.00244	2.0
163.03926	4.0
164.00972	1.7
165.01897	1.8
167.03453	2.1
171.10205	9.2
175.03931	48.4
175.05475	2.3
176.04396	3.0
177.01904	1.6
178.02649	2.1
179.03363	2.9
185.11798	3.9
193.04994	12.6
198.03149	1.6
199.13509	1.4
205.04938	1.5
208.71747	1.3
209.11769	14.3
210.12183	1.5
227.12944	7.0
243.16132	2.0
253.09193	2.3
289.07166	1.7
311.22263	3.5
320.89288	1.2
341.23160	2.0
353.23251	6.9
357.26535	1.3
359.27884	2.6
363.93588	1.6
371.24432	21.6
406.15469	1.5
431.14902	1.7
515.28546	3.7
517.34003	3.8
533.29681	100.0
534.29968	14.9
547.25879	1.7
557.18427	2.1
583.19720	4.1
584.19977	2.2
588.99371	1.4
649.38116	2.3
655.34094	1.3
705.34503	1.5
709.34436	91.3
710.34692	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98018	0.7
59.01252	0.9
61.98706	2.0
62.00451	0.6
63.96114	2.0
69.88449	3.3
71.01255	7.5
73.02808	1.5
78.98470	6.3
79.48230	0.7
79.86111	0.7
79.95609	11.1
80.96393	77.9
85.02826	3.4
87.00755	2.4
94.75975	0.7
94.97965	17.1
96.95883	1.4
97.02846	1.3
98.20527	1.1
99.00690	0.8
101.02300	2.5
106.97961	3.1
122.97476	3.8
125.02319	3.3
127.03921	0.8
134.97444	5.0
135.79861	0.7
136.99017	1.5
148.99055	5.9
152.98521	5.9
164.98550	10.3
171.10188	1.7
206.99557	2.4
225.00706	16.3
255.23291	1.7
279.23383	2.1
301.36954	0.8
394.69571	0.8
429.17645	0.7
453.14508	3.3
536.55334	0.7
537.27106	1.6
563.59467	0.7
691.18988	0.7
709.38391	100.0
710.38617	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	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90743	0.3
53.54380	0.3
57.03322	0.4
59.01247	3.3
61.98699	0.4
63.25049	0.3
69.03336	0.9
71.01262	2.6
71.01639	0.4
73.02818	0.6
85.02834	0.9
85.06478	0.3
87.00765	0.6
87.76600	0.3
89.02319	2.5
89.29269	0.3
92.30321	0.3
95.01306	0.3
98.20516	0.6
100.57638	0.3
101.02337	2.8
113.02325	1.0
119.03393	0.8
125.02370	1.6
128.10889	0.3
143.03397	0.5
151.11118	0.3
153.09099	0.4
153.12776	1.3
161.04454	1.3
167.03409	0.7
169.12263	6.2
170.12643	0.5
179.05533	0.5
179.10661	0.8
179.14363	0.7
195.13817	4.6
197.11772	100.0
198.12094	5.7
211.13315	0.5
223.13348	3.3
228.13602	0.5
232.49779	0.3
235.08165	2.9
253.09276	13.0
254.09555	0.3
255.23230	0.3
256.13147	0.8
257.04550	0.5
275.20230	4.0
276.20471	0.5
277.21777	0.4
293.21240	58.6
294.21548	5.4
433.20804	3.8
473.32651	0.8
529.30206	0.8
577.97998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13080	0.4
57.03319	1.7
58.00463	0.5
59.01253	8.8
59.48040	0.4
61.98698	1.7
65.70313	0.4
67.77787	0.4
69.03333	0.6
69.05052	0.4
71.01247	5.9
71.24761	0.7
71.67801	0.5
73.02824	0.8
78.95782	6.5
80.02560	0.4
80.52751	0.4
80.96416	0.6
81.03319	0.7
82.21895	0.4
83.01279	1.2
83.04900	1.1
85.02831	1.2
87.00778	0.9
89.02328	3.6
95.04900	1.2
96.96819	0.5
97.06464	3.2
101.02325	4.1
113.02328	2.2
114.10649	0.4
119.03400	0.9
125.02385	0.9
127.11209	0.5
143.03427	0.5
151.11197	14.5
152.11566	0.8
152.99501	10.3
161.04465	1.3
163.11150	0.4
165.12756	0.5
169.12259	100.0
170.12607	5.2
171.00557	1.1
171.10236	0.7
177.07632	0.4
179.05537	0.7
195.10240	2.1
199.09741	0.5
201.11259	9.5
209.11777	10.1
210.12265	0.4
213.11281	12.3
214.11713	0.8
227.03154	1.0
227.12914	1.5
235.08257	1.7
253.09232	4.0
253.21738	1.9
254.21982	0.5
275.20160	0.6
277.21719	25.3
278.22073	2.7
302.84259	0.5
381.13129	0.6
398.88205	0.4
431.19238	3.5
449.20322	9.2
450.20810	1.0
455.16901	1.8
473.17944	9.4
474.18301	1.4
627.70917	0.5
691.38623	1.7
709.41461	93.9
710.41803	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	709.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	2.4
59.01247	6.0
61.98695	1.1
69.03325	0.5
69.57731	1.1
69.58136	2.6
69.76838	0.5
71.01257	5.1
73.02838	1.2
78.95773	5.3
83.01250	0.8
83.04893	1.4
85.02821	1.5
87.00734	1.3
89.02317	2.2
95.04890	1.2
97.06463	5.9
101.02328	4.3
113.02325	1.9
119.03299	0.5
125.02324	0.8
125.09611	1.2
127.11111	0.8
128.42960	0.5
132.02792	0.5
135.08107	0.5
137.90300	0.4
138.13213	0.6
145.04987	0.6
149.84662	0.5
151.11194	16.9
152.11519	1.1
152.99486	6.9
161.04468	1.6
165.12836	0.7
169.12259	51.0
170.12596	2.3
171.00549	1.0
184.33961	0.5
195.10129	3.5
201.11261	5.8
209.11778	7.5
213.11287	8.0
227.03230	0.8
227.12817	0.7
235.08253	2.2
253.09241	3.9
253.21869	0.9
277.21722	57.2
278.22061	5.2
307.19064	0.5
431.19543	2.7
432.19391	0.7
442.54999	0.5
449.20285	2.6
455.16644	1.3
473.17953	6.2
474.18066	0.9
556.34283	0.5
691.38269	1.3
709.41522	100.0
710.41846	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.5
59.01246	2.4
60.99177	16.5
61.98700	0.8
63.18376	0.5
66.93021	0.4
69.47050	1.7
69.47470	1.1
71.01253	1.0
72.26688	0.4
73.12676	0.4
87.00702	0.5
88.98679	100.0
89.99002	1.2
90.54857	0.4
98.20454	1.0
109.02833	0.4
117.96258	0.4
125.02335	2.1
137.02313	0.9
140.32933	0.5
151.00301	1.1
151.03746	0.6
161.02332	0.9
181.05009	1.0
199.03906	0.5
202.13718	0.4
217.05013	0.6
243.02963	3.2
255.02937	1.7
270.01776	0.8
271.02484	4.9
272.03040	0.8
285.03995	1.2
287.05545	0.7
299.01947	4.9
300.02722	5.5
314.04391	6.1
315.05078	15.1
316.05554	1.5
338.25461	0.5
406.31039	0.4
491.19449	1.0
623.16150	24.0
624.16541	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	713.2608
Annotation	9,9'-O-di-(E)-feruloyl-(-)-secoisolariciresinol
Peak:m/z	Relative Intensity
53.95146	0.4
59.01257	1.3
61.98705	2.4
70.59510	0.8
70.59843	0.5
71.01274	0.8
79.06127	0.5
79.19098	0.4
89.02348	0.5
89.03851	1.5
90.62701	0.5
93.03339	0.6
96.80318	0.4
101.02354	0.8
105.03333	1.0
107.04876	0.7
108.02077	0.5
109.02850	0.7
117.03361	5.7
119.04923	3.2
121.02869	2.2
125.02270	0.5
132.02071	8.9
133.02863	12.5
133.06433	0.5
134.03638	69.6
135.04436	28.1
136.01549	1.0
136.04755	1.0
137.02338	7.3
139.03906	2.0
146.03484	0.5
147.04416	3.8
148.05200	1.6
149.05986	7.1
150.06375	0.6
153.05489	0.7
159.04440	0.9
160.01575	24.2
161.02364	15.5
162.02802	0.9
163.03915	0.5
173.06049	1.2
175.03923	19.5
176.04343	1.1
178.02644	7.5
179.03418	17.4
180.03792	0.9
183.38931	0.4
192.04256	0.7
193.04993	27.2
194.05363	1.4
197.61656	0.5
201.11255	4.9
207.06599	3.0
253.09380	1.0
270.97000	0.4
293.21179	2.1
369.13303	1.9
383.14856	2.2
406.62964	0.5
505.18683	1.1
519.20087	1.8
537.21375	3.5
538.22076	0.5
698.23743	1.4
713.26013	100.0
714.26324	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2604
Annotation	9,9'-O-di-(E)-feruloyl-(-)-secoisolariciresinol
Peak:m/z	Relative Intensity
56.61634	0.7
59.01245	2.2
61.98704	3.4
70.67232	1.9
70.67590	1.3
71.01238	1.5
71.12370	0.8
85.31164	0.8
85.74528	0.8
89.03829	2.1
93.03377	1.1
96.02044	0.8
98.20466	1.1
101.02288	1.0
105.03321	1.2
108.02012	1.1
109.02792	0.9
117.03333	4.8
119.04932	3.0
119.59837	1.1
121.02841	2.2
125.02271	1.0
126.73744	0.9
127.12863	0.9
132.02071	6.5
133.02859	13.4
134.03635	66.8
135.04434	26.2
136.04716	1.1
137.02333	6.9
137.54581	0.8
139.03899	2.6
147.04451	3.8
148.05185	1.7
149.06020	6.5
160.01573	22.5
161.02339	15.5
163.03969	1.1
165.01817	0.9
171.10248	1.4
175.02519	1.3
175.03941	21.0
176.04250	1.5
178.02617	7.3
179.03435	15.3
180.03694	0.9
193.04980	24.6
201.11255	19.9
207.06609	3.3
209.11786	0.9
253.09245	4.4
293.21237	12.2
383.14883	1.8
505.18530	1.6
520.20209	1.0
537.21442	2.9
643.58069	1.1
713.26007	100.0
714.26306	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	713.2607
Annotation	9,9'-O-di-(E)-feruloyl-(-)-secoisolariciresinol
Peak:m/z	Relative Intensity
59.01249	7.3
61.98706	21.3
71.01242	3.4
71.54109	1.8
75.00732	1.8
81.97047	2.1
85.02859	2.0
88.98701	3.4
89.02312	4.8
89.03862	2.2
93.03319	2.3
109.02834	3.6
117.03325	5.1
117.76589	1.4
119.04923	3.1
121.02801	4.2
123.04392	3.9
125.02380	9.5
126.02672	2.2
132.02069	8.9
133.02856	16.9
134.03636	77.1
135.04451	28.2
137.02373	13.4
139.03905	4.8
145.02855	2.9
147.04376	5.0
148.05270	2.4
149.02309	3.4
149.06027	9.4
151.03786	1.8
159.04488	1.8
160.01570	21.7
160.45621	1.8
161.02362	19.6
161.04420	2.3
162.02718	3.0
163.03903	2.8
175.03937	23.0
177.01816	1.9
178.02681	9.6
179.03447	19.5
179.84776	1.6
180.03935	1.8
193.05005	36.1
194.05473	2.6
203.07008	1.9
207.06604	3.4
209.11777	2.2
213.64714	1.7
289.07172	7.2
290.07443	3.1
341.09799	1.8
359.28067	2.4
369.13748	2.0
425.18921	1.8
519.19977	2.6
537.21313	3.4
543.19745	4.9
587.68677	1.7
654.37689	1.8
683.24310	2.2
698.24115	1.6
713.25970	100.0
714.26141	29.0
722.05017	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	713.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.3
61.02765	0.2
61.98699	3.8
62.09853	0.2
66.04891	0.2
68.67451	0.2
71.01254	3.6
73.02808	0.3
73.11620	0.2
80.46245	0.2
85.02791	0.3
89.02336	0.6
93.03338	0.2
96.95901	0.2
96.99193	9.8
97.99525	0.3
101.02307	0.4
109.02822	0.8
113.02328	0.4
115.00263	2.8
117.03317	0.3
121.02842	1.8
123.04411	0.6
125.02345	0.8
132.02118	0.2
133.02841	0.8
134.03635	3.2
135.04433	1.3
137.02324	0.9
147.04405	0.6
147.90883	0.2
149.06012	0.3
160.01514	0.7
161.02435	1.1
161.04456	0.5
161.05931	0.3
167.04971	0.3
169.06523	0.4
171.04465	0.8
175.03876	0.5
175.07471	0.2
178.02734	0.3
179.03424	0.5
184.05270	0.2
185.06012	5.1
186.06299	0.4
192.07845	1.1
193.05000	1.0
195.04448	4.2
196.05077	1.2
197.06010	2.0
199.03952	0.8
207.10213	2.3
211.03925	0.8
212.04721	3.0
213.05511	26.1
214.05910	2.3
223.03978	4.7
224.04674	3.6
225.05267	0.3
239.03432	0.6
240.04265	1.9
241.05025	82.5
242.05447	7.2
243.06227	0.4
255.06534	0.4
256.07385	49.4
257.07886	6.2
271.09744	100.0
272.10098	8.8
273.03867	0.2
289.07330	0.6
305.10300	1.2
327.25311	0.3
328.13107	1.3
329.13882	0.3
343.15503	4.2
343.97260	0.3
344.15674	0.5
357.26370	2.0
373.22137	0.9
408.15839	0.3
427.13782	0.3
441.15512	19.6
442.15790	2.8
543.19684	0.4
653.38647	0.4
681.35767	0.3
713.26117	1.6
714.26758	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.1
61.98700	2.8
69.72047	0.7
69.72457	1.2
71.01259	3.9
75.54789	0.3
84.42496	0.3
89.77375	0.3
96.99197	8.9
100.90240	0.3
109.02811	0.8
115.00245	2.0
121.02804	1.6
123.04408	0.8
124.01540	0.4
125.02315	1.0
133.02837	0.7
134.03616	2.8
135.04390	1.4
137.02356	0.7
147.04398	0.8
150.57097	0.3
151.03958	0.4
159.04410	0.4
160.01553	0.6
161.02362	0.8
167.04985	0.5
173.05916	0.4
175.03984	0.9
179.03394	0.9
185.06000	4.2
186.06334	0.4
192.07867	1.1
193.04982	0.8
195.04425	3.3
196.05130	0.6
197.06003	1.9
199.03888	0.4
207.10257	2.3
211.03975	1.0
212.04652	2.4
213.05516	22.1
214.05858	1.5
223.03960	4.0
224.04700	3.5
239.03464	0.7
240.04305	1.4
241.05032	73.9
242.05389	5.7
245.08061	0.5
256.07394	46.1
257.07803	4.8
270.48648	0.4
271.09756	100.0
272.10101	7.9
289.07251	0.8
328.13080	1.6
343.15494	2.9
344.15738	0.4
357.26440	0.5
441.15558	21.8
442.15860	3.2
488.18304	0.4
543.19977	0.5
653.39410	0.8
713.25739	2.2
714.26416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80396	0.7
59.01252	28.5
65.00225	0.7
67.65781	0.8
72.99192	3.0
85.10807	0.8
106.09982	0.7
107.01296	1.6
109.02837	0.9
119.04924	2.2
121.02779	0.8
127.28597	0.7
127.61634	0.7
137.36977	0.8
147.04424	68.9
148.04756	2.3
150.72168	0.7
151.00307	5.7
152.23546	0.7
163.00252	1.2
165.05484	63.5
166.05818	2.8
174.57137	0.7
178.99768	4.3
189.39230	0.7
207.06572	40.5
208.06961	2.2
227.03401	1.1
229.60927	1.2
243.03004	4.6
255.02966	13.0
271.02472	30.2
272.02942	2.5
273.04196	1.1
300.02740	73.7
301.03442	31.7
302.03915	1.9
406.34692	1.0
463.08823	100.0
464.09036	11.3
505.73792	0.8
610.00098	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.6
59.01255	5.2
60.99168	1.0
61.98706	20.9
64.58972	1.0
66.15140	0.9
67.72015	1.0
71.01258	7.9
72.97385	1.9
73.02824	1.7
79.05418	0.9
83.01252	1.9
85.02815	4.9
87.00771	1.4
88.98669	4.3
89.02309	2.9
93.03338	2.6
95.01295	1.0
96.95880	1.6
98.19798	1.5
99.00771	1.2
101.02316	3.2
105.03343	1.4
108.02032	3.9
109.02877	2.5
111.00754	1.3
112.07529	0.9
113.02330	1.8
117.03365	9.9
119.04913	5.8
121.02825	5.9
122.03646	6.1
123.00796	1.8
123.04408	6.4
124.01591	1.5
125.02340	7.8
127.56319	1.0
132.02071	26.9
133.02879	6.6
134.03644	38.0
135.04384	3.6
136.01498	2.4
137.02338	6.1
138.03055	1.3
139.03923	2.7
145.02861	29.7
146.03334	1.1
147.04396	2.6
149.02353	11.4
149.05983	5.8
150.03140	30.4
151.00330	1.3
151.03954	7.4
153.01817	4.2
153.05455	4.2
160.01572	100.0
161.02333	10.9
162.03017	0.9
163.03937	4.7
164.04681	3.1
165.01826	1.7
165.05504	20.0
165.47130	1.1
166.06180	2.7
169.29948	0.9
175.03929	97.1
176.04308	6.4
177.01855	1.1
177.05481	3.0
178.02489	1.6
179.03317	3.1
179.05630	1.0
179.07059	4.2
180.04124	2.4
181.05006	3.0
181.08563	1.7
182.05576	1.0
190.02728	1.7
191.03339	1.7
191.07059	1.6
192.04256	2.2
193.04990	31.0
194.05290	2.6
195.06548	7.6
196.07285	1.6
197.08168	1.1
205.04984	2.7
207.06508	1.9
249.07507	1.1
251.25105	1.1
289.07172	3.0
303.08725	1.4
307.08258	11.2
308.08633	1.1
329.13922	1.6
331.11798	2.0
359.14862	2.3
373.25745	2.6
375.27505	2.3
391.14044	1.4
459.16666	1.6
491.19321	4.5
503.15756	1.6
518.17706	2.9
519.18439	10.7
520.18799	1.9
539.21265	3.2
573.19653	6.9
574.19952	2.2
667.23938	34.9
668.24036	6.8
679.23901	6.5
697.25122	17.6
698.24744	3.0
715.25781	27.5
716.26129	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	715.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15164	0.3
57.03313	1.0
58.00465	0.6
59.01250	3.9
61.98705	8.0
62.79537	0.3
63.04756	0.3
63.98696	0.3
69.03310	0.6
69.97123	1.5
70.84279	0.3
71.01255	5.1
73.02805	0.7
75.00745	0.4
83.01255	0.7
85.02832	1.1
87.00753	1.6
87.04385	0.5
88.98679	0.5
89.02327	3.2
93.03274	0.4
95.01228	0.4
99.00727	0.4
99.76984	0.3
101.02317	3.4
108.02078	0.4
109.55473	0.3
113.02323	2.1
115.67815	0.3
117.03352	2.9
119.03420	1.9
119.04899	0.8
121.02842	3.5
122.03667	0.7
123.04398	0.8
123.75786	0.3
125.02339	1.5
125.09615	0.6
133.02827	1.5
134.03615	0.7
135.04410	1.1
137.02339	0.7
138.03142	2.6
138.04053	0.4
139.11179	0.8
141.12701	0.4
143.03386	0.5
145.02852	8.7
146.03679	2.5
147.04474	1.8
149.02338	0.6
149.05995	0.3
151.03848	0.6
153.05478	1.8
161.02351	10.7
161.04497	1.0
162.03143	10.5
163.03804	1.0
164.04668	1.2
165.05457	0.6
170.02171	0.4
175.03896	0.4
177.05495	4.4
179.05482	1.4
179.07051	1.4
180.04210	1.9
181.04880	0.4
181.12262	1.3
182.02136	0.3
185.11763	2.9
193.05019	0.5
195.06554	2.7
198.05342	0.4
199.13348	1.5
205.05017	0.4
209.04491	2.2
209.11766	0.8
213.07680	3.2
213.14888	0.5
237.44698	0.3
239.47192	0.3
262.25873	0.3
283.26337	0.3
289.07172	0.4
297.24295	1.1
301.03506	0.5
309.24432	1.9
311.22275	1.5
311.25946	1.2
325.23883	0.7
326.75549	0.3
327.25385	8.2
328.25729	0.9
339.25375	18.9
340.25702	2.2
355.24780	0.9
357.11926	11.3
357.26447	100.0
358.12213	0.9
358.26801	11.2
371.28006	2.3
373.25940	3.6
374.26443	0.5
375.27817	0.7
399.27478	5.1
448.36316	0.4
500.80368	0.3
697.38202	0.7
715.27429	1.1
715.38269	1.2
716.38910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54242	0.5
53.17998	0.5
54.56782	0.5
56.62204	0.5
57.03331	2.0
58.00453	0.9
59.01254	5.7
59.13353	0.5
61.98706	24.7
71.01253	7.1
71.73788	0.5
73.02795	1.1
83.01248	0.7
85.02831	1.7
87.00774	1.8
88.98686	1.3
89.02321	1.3
91.01756	0.8
93.03368	0.7
96.95909	0.8
101.02338	2.3
104.18200	0.5
107.01305	0.7
108.02071	4.5
109.02862	1.3
113.02331	1.7
117.03353	0.5
119.03400	1.2
121.02865	1.1
122.03630	1.6
123.00760	2.8
123.04413	4.1
124.01523	1.0
125.02356	2.3
133.02855	0.7
134.03668	0.8
135.00757	0.7
135.04401	0.7
136.01598	0.9
137.02351	1.5
137.05994	1.4
143.62186	0.5
145.02835	1.0
149.02296	1.6
150.03136	14.5
151.00241	1.0
151.03786	1.1
153.05492	0.9
160.01575	2.0
161.02367	1.1
161.04460	2.8
162.03098	1.2
163.03876	1.0
164.04704	0.8
165.01820	1.3
165.05515	10.7
169.12221	0.6
175.03943	2.0
177.01855	1.6
178.02647	47.9
179.02893	2.7
180.04149	1.4
182.02075	0.7
185.11755	0.7
193.04997	100.0
194.05359	4.7
195.06607	4.3
197.04451	1.2
199.13280	0.6
205.05013	0.9
209.11789	2.0
229.68692	0.6
253.08403	0.5
279.23273	1.1
289.07272	0.9
291.23297	0.6
297.24390	1.1
309.24313	1.7
311.25772	1.1
313.23901	1.9
327.10834	1.8
327.25241	3.2
329.27167	0.9
339.25311	2.7
341.26981	14.7
342.27216	1.6
343.28256	1.0
355.24759	1.3
356.25165	0.6
357.11826	1.4
357.26428	23.5
358.26605	2.5
359.28046	28.6
360.28354	3.6
373.25705	0.6
373.29666	8.7
374.29880	1.2
375.27573	1.5
399.27252	0.6
401.29129	6.8
402.29401	1.5
430.04233	0.7
533.29865	1.0
645.50854	0.6
655.40424	1.0
697.38525	0.8
715.27228	0.6
715.39178	13.5
716.39746	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	716.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31232	0.2
57.03317	0.4
59.01257	1.2
61.98704	100.0
67.74934	0.2
71.01265	1.0
72.99170	0.2
75.00739	0.4
87.94624	0.2
88.98685	0.9
89.02336	1.1
96.95908	0.5
101.02340	0.8
113.02338	0.5
119.03413	0.3
121.02836	0.3
123.04417	3.7
125.02364	0.5
145.02919	0.3
150.03128	0.3
151.03964	0.4
153.05484	6.4
154.05858	0.3
161.04431	0.5
171.10287	0.3
177.01892	0.3
179.05551	0.3
195.06578	0.2
199.98535	0.2
209.11812	0.3
344.03543	0.3
355.24991	1.4
359.27765	0.3
375.27512	0.8
376.28098	0.5
399.71094	0.3
458.51566	0.2
653.35712	1.0
654.35693	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00982	0.1
59.01249	1.1
61.98705	100.0
62.98409	0.2
66.66218	0.1
71.01261	0.1
79.77437	0.1
81.33183	0.1
90.73179	0.1
93.30283	0.1
101.02362	0.1
104.55917	0.1
160.41077	0.1
255.23471	0.2
256.23828	0.1
257.23874	0.1
398.14368	0.1
399.14261	0.1
496.14090	0.1
511.16547	0.1
544.15570	0.1
599.21820	0.3
628.26630	0.2
657.22424	0.2
717.24329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.2
61.98703	100.0
62.98415	0.1
62.99146	0.1
70.22203	0.3
77.74216	0.1
80.13496	0.1
93.48788	0.1
255.23277	0.1
256.23676	0.1
274.56937	0.1
301.89993	0.1
381.99258	0.1
397.14005	0.1
398.13916	0.1
399.14197	0.2
413.33844	0.1
472.70947	0.1
497.62051	0.1
608.18640	0.1
628.26935	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66644	0.9
59.01254	100.0
60.01590	1.0
61.98694	3.8
125.02342	1.4
226.46765	1.0
275.94904	1.0
283.95703	0.8
368.90717	0.9
398.77826	0.9
438.09894	1.5
453.11823	1.0
457.18942	1.1
467.13724	2.4
473.18427	0.9
480.14230	1.2
481.11853	2.9
495.12369	2.0
496.13861	13.6
497.14465	5.6
498.15140	1.8
509.14917	1.6
510.15414	6.2
511.16180	9.5
512.16809	3.1
513.17584	4.3
523.16138	2.0
528.12555	1.3
538.14972	2.0
539.19135	1.6
544.16168	3.2
545.16333	1.7
551.15759	1.8
567.18671	11.1
568.19061	2.4
570.17615	2.7
571.18176	5.8
572.18951	1.7
583.17725	1.4
589.19373	2.7
596.53668	0.9
597.19995	1.7
598.20587	3.0
599.21478	29.7
600.21741	8.3
602.16705	3.1
603.16986	1.2
625.19385	3.6
626.19281	1.1
629.26459	1.1
630.19812	1.7
631.19965	2.0
643.21222	1.4
657.22009	18.8
658.22260	4.0
717.24158	74.2
718.24438	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	717.242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01596	1.2
61.98703	11.3
61.99004	0.9
70.69102	1.6
76.20795	0.5
82.80343	0.5
85.45313	0.5
90.50118	0.5
96.34429	0.5
107.09930	0.6
125.02341	0.7
135.81085	0.5
141.42830	0.6
209.11861	0.8
254.44247	0.5
255.23247	0.6
277.21729	1.5
438.09381	0.9
441.15771	1.4
452.11002	0.8
453.11758	1.9
454.12210	0.8
457.18741	2.0
459.16721	2.2
467.13455	1.1
473.18622	0.6
481.10742	3.7
482.11444	1.4
495.12549	0.5
495.16849	1.9
496.13855	13.0
497.14355	7.9
498.15048	2.3
499.15463	0.7
509.14493	0.9
510.15482	4.7
511.16098	7.6
512.17139	4.1
513.17712	5.5
514.18292	1.5
523.16266	1.1
527.19373	0.8
528.12891	1.0
530.14063	1.3
537.14160	0.7
538.14740	1.7
539.19788	3.2
540.19806	0.8
544.15887	5.1
545.16522	1.9
551.15363	0.6
553.17047	1.0
556.16040	1.1
567.18945	10.6
568.19147	2.5
570.17621	2.6
571.18408	12.7
572.18335	3.3
583.18274	1.6
589.20135	2.7
590.20306	0.7
597.19904	2.4
598.20758	3.6
599.21490	33.3
600.21765	9.4
602.16663	3.4
603.16699	1.0
625.19647	1.2
626.20013	0.6
630.19501	1.7
631.20026	2.0
643.20789	1.0
657.22046	18.4
658.22491	5.4
717.24170	75.6
718.24457	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	717.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.8
55.29003	1.7
55.33146	1.9
59.01247	33.4
61.98694	7.7
69.41490	1.7
71.01255	29.7
71.54673	2.5
72.97425	2.0
72.99199	3.3
73.02836	3.7
79.38171	1.8
83.01269	3.9
85.02828	9.1
87.00741	2.4
88.98676	2.7
89.02312	31.3
93.03335	7.1
95.01289	3.1
98.91654	1.5
101.02315	23.9
108.02065	4.3
109.02823	8.5
111.00758	2.7
113.02315	10.5
119.03401	17.2
121.02852	11.0
122.03635	20.4
123.04427	8.8
124.01521	2.3
125.02364	7.7
133.02840	6.5
134.03656	3.1
135.04420	8.1
136.01521	2.6
137.02376	12.8
139.03917	1.9
141.50412	2.0
143.03400	2.4
145.02774	2.9
149.02354	33.6
149.06024	2.4
150.03137	100.0
151.03947	9.7
152.00957	1.7
153.01875	1.8
153.05466	3.3
160.03925	4.2
161.02315	4.7
161.04564	2.6
161.05942	2.6
162.03033	2.7
163.03889	5.9
164.04707	10.8
165.01836	8.0
165.05482	80.3
166.05952	3.7
174.96478	1.7
175.03915	3.5
177.01854	3.5
177.05515	2.1
179.03392	2.5
179.05573	6.8
180.04193	6.2
181.08705	1.9
187.03896	2.0
190.02670	4.0
190.06358	3.0
191.03421	2.2
192.04121	1.9
193.04997	2.8
195.06567	36.2
203.09195	1.8
205.05017	8.0
207.06569	1.9
215.07018	2.1
217.04768	1.9
237.07950	1.8
256.03757	2.5
258.29950	1.9
267.06601	2.1
271.06046	5.0
275.62170	2.4
283.09930	2.5
286.08298	3.6
289.07239	3.0
295.06265	2.1
298.08469	4.5
301.10739	3.6
313.10846	5.1
325.10898	3.1
326.11581	3.6
327.12039	1.8
329.14020	2.5
337.09140	4.4
341.13919	7.9
343.11551	2.6
343.14331	2.2
355.11954	4.7
357.13818	1.9
366.08328	2.8
367.10364	6.9
477.19333	2.3
489.19461	3.8
491.19281	12.0
503.19351	10.0
507.20197	14.7
508.20224	2.8
521.20276	8.1
555.22455	6.9
565.19348	2.2
639.24536	5.2
651.24487	6.0
669.25555	99.6
670.25903	14.3
687.26587	2.0
699.26642	4.2
717.25757	35.6
718.25848	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	717.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	6.9
60.80265	1.6
61.98705	91.8
70.20806	1.7
71.01252	5.3
72.99166	1.4
75.00752	12.0
83.01226	2.3
83.04904	4.4
86.10930	1.4
87.00761	1.9
88.98692	3.3
89.02299	2.9
98.01601	1.4
98.20628	2.9
101.02322	4.8
107.79864	1.4
116.92728	2.7
123.04417	2.9
153.05499	3.4
161.04462	2.3
161.06113	1.7
163.11212	2.5
165.12805	2.0
171.10120	2.1
183.13869	3.7
188.43448	1.4
193.12360	1.7
209.11778	100.0
210.12074	6.1
211.13356	60.5
211.15376	2.6
212.13686	1.7
227.12805	12.5
229.17314	2.0
235.08113	1.5
243.39169	1.6
253.09286	7.2
296.01239	2.0
360.54007	1.7
429.20996	2.2
445.20609	2.5
447.22275	2.9
607.47034	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	717.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54176	0.3
52.58209	0.3
55.01745	0.3
57.03332	1.9
57.57211	0.3
58.00456	0.8
59.01257	2.8
61.98704	27.3
69.03329	0.4
69.71692	1.1
71.01259	3.6
72.99198	0.4
73.02794	0.3
83.01257	0.4
85.02819	1.0
87.00737	2.3
87.04404	0.6
88.98697	0.3
89.02309	2.2
93.03315	0.3
95.01241	0.5
96.95911	0.4
98.20525	0.6
101.02334	3.1
109.02854	0.6
111.08038	0.5
113.02329	2.0
113.56713	0.3
117.03358	2.6
119.03402	0.8
119.04913	1.0
121.02864	1.6
122.03644	0.4
123.04422	0.6
125.02347	1.3
127.11172	0.6
133.02856	1.0
134.03590	0.9
135.04388	0.7
137.02315	0.8
137.09601	0.4
138.03136	2.3
141.12782	0.5
145.02858	7.6
146.03638	2.7
147.04427	2.4
149.02309	0.5
150.03072	0.4
151.03946	0.7
153.01860	0.3
153.05473	1.7
155.10728	0.5
157.36305	0.4
161.02353	9.3
161.04498	0.9
162.03146	11.0
163.03807	1.0
164.04686	0.9
165.01857	0.4
165.05510	0.8
177.05507	4.4
179.03444	0.3
179.05573	0.8
179.06978	0.5
180.04205	1.2
181.04982	0.4
185.11859	0.4
189.01924	0.7
193.04858	0.4
195.06592	2.8
196.89180	0.3
209.11888	0.4
213.07594	2.6
269.17612	0.5
275.42773	0.3
279.23364	1.0
289.07031	0.4
291.23172	0.3
295.22818	0.4
307.22800	0.4
309.24451	0.8
311.22467	0.4
311.25861	1.3
313.23898	5.4
325.23676	0.6
327.25452	1.2
329.26926	0.7
341.26981	13.7
342.27231	1.8
345.75656	0.3
357.11929	9.6
357.26477	1.1
358.12253	0.7
359.28043	100.0
360.28427	9.4
371.28415	0.4
373.25613	0.6
373.29623	7.6
374.26007	0.4
374.30075	0.5
375.27466	3.0
385.25778	0.4
391.27496	0.4
401.29071	6.7
402.29706	0.6
516.38739	0.3
542.64075	0.3
550.95959	0.3
657.27100	0.4
669.26910	0.7
687.28442	1.9
688.28583	0.6
699.39343	1.5
717.28613	0.6
717.40057	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85954	0.2
58.70572	0.2
59.01249	0.9
61.22654	0.2
61.98706	100.0
70.64654	0.2
71.01247	0.4
75.00794	0.2
82.53855	0.2
83.36770	0.2
85.02863	0.2
88.98682	0.6
89.02338	0.3
98.20612	0.3
101.02369	0.3
108.08289	0.2
109.36054	0.2
111.69823	0.2
123.04436	0.3
125.02367	0.3
153.01889	0.6
153.05518	0.6
175.03836	0.2
177.01958	0.2
209.11841	0.9
210.79161	0.2
211.13309	0.4
232.03189	0.2
256.44415	0.2
258.11594	0.2
273.17148	0.4
320.24524	0.2
572.20306	0.2
691.05432	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.1
59.01256	0.6
60.99174	0.1
61.98705	100.0
62.98413	0.2
65.30213	0.1
71.01251	0.5
71.34008	0.1
74.33850	0.1
75.00775	0.1
83.01305	0.1
88.98698	0.3
89.02335	0.2
96.95949	0.1
101.02354	0.2
108.59698	0.1
113.02373	0.2
119.03396	0.1
123.04417	2.9
124.04762	0.1
125.02386	0.1
137.02399	0.1
146.47968	0.1
153.05495	5.8
154.05870	0.3
161.04552	0.2
164.04730	0.1
165.43735	0.1
175.04036	0.1
179.05531	0.1
202.18340	0.1
205.55989	0.1
209.11884	0.3
296.24643	0.1
315.10855	0.1
339.25571	0.2
357.26450	1.4
358.27078	0.1
501.31143	0.1
608.63092	0.1
627.81335	0.1
655.36865	1.4
655.46210	0.1
656.37177	0.4
658.42877	0.3
719.43359	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	720.216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34279	0.1
52.87726	0.1
59.01251	3.8
59.90602	0.1
60.01583	0.3
61.98704	100.0
62.98404	0.2
71.54099	0.1
74.70435	0.1
78.95782	0.2
94.05991	0.1
125.02393	0.2
170.61308	0.1
207.10152	0.2
225.11290	0.3
255.23399	0.3
277.21814	0.3
279.23352	0.4
455.11240	0.1
498.13663	0.1
499.14136	0.7
500.14917	0.4
513.16211	0.2
514.16974	0.3
570.19153	0.4
574.19043	0.4
601.21423	0.5
602.21741	1.2
651.21259	0.1
659.21997	0.2
660.22357	0.7
719.24542	0.3
720.23895	4.1
721.23547	0.5
735.05280	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	720.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50074	0.1
59.01249	0.1
60.79333	0.1
61.98702	100.0
62.98398	0.2
69.82600	0.5
95.21356	0.1
123.04359	0.1
124.73548	0.1
222.56447	0.1
233.48851	0.1
356.76563	0.1
517.01184	0.1
674.43604	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	720.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.1
61.98706	100.0
62.98418	0.2
66.25849	0.1
67.14061	0.1
97.67722	0.1
99.61422	0.1
123.04406	0.1
125.02345	0.1
138.99359	0.1
449.46140	0.1
473.84875	0.1
669.71649	0.1
698.55597	0.1
720.31256	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	720.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27686	0.1
56.30517	0.1
59.27448	0.1
61.98704	100.0
62.98397	0.2
69.19328	0.6
85.02823	0.1
88.98728	0.1
96.95945	0.1
105.56158	0.1
113.02289	0.1
123.04408	2.5
124.04789	0.1
125.02379	0.2
134.03767	0.1
149.02411	0.1
153.05486	4.7
154.05861	0.2
161.04526	0.1
175.03926	0.1
191.05717	0.1
289.07248	0.2
347.07742	0.1
359.27997	0.5
503.32144	0.1
508.17389	0.1
546.44958	0.1
657.38647	1.1
658.39197	0.3
720.42377	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	721.366
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89225	0.7
59.01251	5.7
60.99189	0.9
61.98705	100.0
62.98390	1.0
63.99141	0.8
71.01254	35.6
71.04907	0.9
72.69929	0.8
73.02802	1.5
75.00721	1.0
78.59940	0.9
80.02537	1.0
80.96384	1.2
81.03337	1.0
82.94005	0.9
83.04890	3.4
85.02787	2.0
87.00756	1.7
88.25287	0.7
88.98697	2.0
89.02359	2.1
95.04912	1.7
96.95905	0.9
97.02824	1.5
99.00760	2.4
101.02333	4.3
109.02772	0.9
109.06478	4.8
113.02298	2.6
116.92747	5.5
119.03436	1.1
121.06474	0.8
123.04414	2.7
124.01521	0.9
125.02324	2.5
125.09628	1.9
135.08031	1.4
137.02365	1.2
145.02827	1.3
151.03987	1.2
153.05446	1.9
160.73535	0.9
161.02402	1.0
163.03891	1.3
163.11235	5.8
165.12785	1.2
171.10181	9.8
177.01958	1.0
181.12228	3.6
185.11714	1.2
191.05463	0.9
199.13324	2.7
201.11256	3.3
207.10217	15.7
209.11778	45.8
210.12025	2.5
218.47107	0.9
225.09250	1.3
225.11299	14.8
227.12852	3.9
235.08153	2.1
243.12328	2.6
253.09210	3.8
357.26337	1.2
361.04694	1.1
361.10037	0.9
379.20520	1.0
461.20135	3.2
518.68530	0.9
548.53607	0.9
653.31952	1.4
654.29510	0.9
671.32440	2.1
687.09064	1.0
689.33899	3.4
721.34900	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	723.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53917	0.6
52.86260	0.6
59.01236	1.2
61.98704	44.4
62.98402	0.6
63.02266	2.8
63.99131	3.0
65.00199	1.7
69.90951	2.7
81.91369	0.6
83.01263	1.9
87.00782	0.8
91.01810	0.8
93.03342	2.5
96.95856	0.9
107.01265	4.9
109.02835	1.5
117.03350	34.4
118.03701	1.8
119.04919	22.9
120.05280	1.0
121.02837	2.0
123.04408	1.4
125.02325	1.0
132.02090	1.9
133.02876	1.0
135.00764	1.9
137.02330	0.8
143.04929	1.1
145.02856	86.3
146.03212	4.7
151.00269	9.6
157.06430	1.0
158.18852	0.7
159.04408	2.0
161.02267	0.8
162.02994	0.8
163.00276	2.8
163.03920	18.7
164.01115	1.1
164.04179	0.7
167.04945	1.1
169.01320	1.3
169.06514	2.0
171.04434	1.4
183.04430	1.4
184.05243	0.8
185.05997	3.2
187.03891	5.5
189.05426	1.6
195.04433	1.2
196.05368	0.8
197.06020	1.3
199.03922	1.1
201.05516	1.0
202.85614	0.7
211.03923	2.9
213.05559	1.8
214.02635	1.0
227.03448	32.7
228.01541	0.7
228.03870	2.0
229.05019	11.2
239.03430	2.1
240.04138	1.3
241.05077	1.1
255.02972	60.2
256.03537	8.1
257.04535	7.3
263.26147	0.8
267.02921	1.1
273.07687	2.6
283.02481	4.9
284.00015	1.7
284.03262	74.2
285.04022	100.0
286.04410	6.8
413.08765	1.1
437.12439	10.9
438.12747	1.9
559.12445	17.0
560.12921	2.4
577.13440	5.8
578.13782	1.1
590.60480	0.8
723.17181	71.9
724.17572	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	0.5
63.02265	1.5
65.00197	1.1
81.51945	0.2
83.01274	1.1
85.02830	0.2
91.01785	0.4
93.03347	2.7
95.01257	0.3
98.31851	0.2
107.01279	3.7
109.02808	1.0
117.03352	19.1
118.03675	0.7
119.01283	0.3
119.04917	15.7
120.05221	0.5
121.02837	1.5
123.00791	0.3
123.04436	1.1
130.04167	0.7
131.04938	1.1
132.02077	0.5
133.02835	0.5
133.06483	0.4
135.00792	1.4
135.04433	0.3
137.02325	0.4
141.06999	0.4
143.04939	1.9
145.02858	61.5
146.03204	2.6
147.04488	0.4
151.00282	4.4
153.01851	0.4
154.04175	0.6
155.04907	0.3
156.05701	0.4
157.06528	1.2
158.03632	0.8
159.04445	4.1
160.04779	0.3
161.06003	0.4
162.03113	2.3
163.00323	1.7
163.03922	18.6
164.01047	0.8
164.04292	0.8
165.01816	0.6
167.03474	0.4
167.04959	0.7
169.01328	0.7
169.06497	1.2
171.04440	1.0
173.02292	0.3
173.05968	0.5
179.03519	0.3
182.03650	0.4
183.04475	1.6
184.05136	0.5
185.06003	2.9
187.03943	13.7
188.04297	0.9
189.05521	1.2
195.04463	0.4
196.05190	0.5
197.06001	0.6
199.03941	1.1
201.05486	1.0
201.09096	0.4
211.03932	3.0
211.07585	0.9
212.04527	0.6
213.05504	1.8
214.02669	0.3
215.03436	0.7
217.04938	0.4
227.03453	13.3
228.03850	1.0
229.05020	9.5
229.08669	0.9
230.05399	0.6
231.06555	0.9
239.03404	1.5
240.04147	0.6
241.05013	1.3
243.03046	0.4
255.02977	24.4
256.03476	3.2
257.04547	6.4
267.03018	0.7
273.07651	4.8
274.07996	0.3
275.09177	0.4
283.02490	5.2
284.03259	27.0
285.04031	100.0
286.04376	9.3
291.08755	2.1
395.08157	0.3
411.66876	0.2
413.08835	1.0
419.11420	0.5
432.97150	0.3
437.12390	24.5
438.12747	4.0
559.12445	5.0
560.12744	0.9
577.13477	6.3
578.13855	1.4
723.17181	16.9
724.17474	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	723.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79554	0.3
56.78085	0.2
60.50259	0.2
63.02268	1.4
65.00195	1.3
71.03103	0.6
76.76239	0.3
77.27184	0.2
83.01273	1.3
85.02831	0.3
91.01791	0.3
93.03320	3.0
95.01253	0.4
107.01263	3.3
109.02862	0.9
111.00758	0.4
117.03350	20.0
118.03696	0.9
119.04918	17.2
120.02074	0.3
120.05275	0.9
121.02833	1.6
123.04417	1.2
123.68304	0.3
130.04097	0.5
131.04938	1.0
132.02086	0.5
133.02901	0.6
133.06549	0.6
135.00771	1.3
142.83717	0.3
143.04898	1.9
145.02858	67.3
146.03181	3.6
151.00275	5.2
153.01785	0.5
154.04123	0.5
155.04938	0.4
156.05731	0.3
157.06503	0.9
158.03645	1.2
159.04433	4.6
160.04944	0.3
161.02415	0.3
161.06012	0.7
161.79002	0.3
162.03142	1.7
163.00287	2.5
163.03917	18.3
164.01053	0.6
164.04237	0.6
165.01836	0.5
167.04932	0.5
169.01317	0.8
169.06544	1.4
171.04411	1.0
173.05968	0.4
183.04425	1.6
184.05150	0.4
185.02493	0.4
185.06021	3.0
187.03938	13.3
188.04317	0.6
189.05508	0.8
195.04475	0.9
197.06084	0.5
198.03157	0.3
199.03929	1.1
201.05489	0.9
211.03943	2.4
211.07581	0.6
212.04605	0.4
213.05501	2.1
214.02721	0.5
227.03456	12.4
228.03880	0.9
229.05022	10.2
229.08733	0.9
230.05438	1.0
231.06505	0.7
239.03459	1.6
240.04318	0.5
241.04985	1.1
243.02980	0.5
255.02971	26.5
256.03479	4.0
257.04510	6.4
258.04883	0.5
267.02985	0.7
268.03741	0.3
273.07648	3.4
274.08023	0.3
275.09344	0.4
283.02484	4.7
284.03259	25.6
285.04034	100.0
286.04385	7.9
291.08752	1.8
352.08484	0.3
395.07721	0.3
413.08551	0.7
419.11389	0.5
419.59357	0.3
437.12405	21.3
438.12701	3.1
445.54559	0.4
559.12408	3.1
560.12878	0.5
577.13458	4.7
578.13953	0.9
607.67621	0.3
723.17133	14.0
724.17426	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	723.409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86230	1.0
58.00494	0.8
58.11813	0.9
59.01233	2.7
61.98703	1.1
71.16308	1.6
78.95775	29.1
80.02543	2.0
81.03332	1.1
83.04900	6.2
91.01440	1.0
96.96841	2.4
100.00204	0.9
104.39185	0.9
125.05927	0.9
127.34195	0.8
140.97240	0.9
150.28667	1.0
152.99487	45.1
153.00755	2.1
163.11185	5.9
165.12787	2.4
171.00555	4.8
180.72795	1.2
191.10646	1.9
209.11771	100.0
210.12144	7.2
227.03178	4.3
227.12819	10.1
240.63741	1.2
253.21719	22.9
254.22195	1.9
363.12140	2.8
395.14627	2.6
437.15680	3.0
439.71857	1.0
455.16812	10.0
469.18463	1.6
487.19479	75.9
488.20197	8.2
493.41083	1.2
645.04987	1.2
691.38263	7.3
723.40955	53.0
724.41046	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	723.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.9
65.48300	0.1
69.40579	0.9
71.01254	2.5
73.02821	0.4
80.02554	0.8
81.03337	1.2
83.01263	0.3
83.04900	4.4
84.02037	0.5
85.02824	0.5
87.00769	0.3
89.02312	1.7
93.03315	0.2
95.04907	0.4
97.02869	0.2
97.06506	0.1
101.02324	1.8
110.08431	0.2
113.02343	1.1
119.03394	0.4
121.30087	0.2
125.05982	0.5
125.09539	0.2
135.08060	0.4
143.03481	0.2
147.11678	0.2
161.04492	0.7
163.11197	2.8
164.11604	0.2
165.12781	2.0
179.05516	0.5
181.12259	0.3
181.55432	0.2
191.10695	0.8
194.80054	0.2
204.62654	0.2
209.11774	100.0
210.10085	0.2
210.12114	6.5
227.12849	9.9
228.13174	0.6
235.08160	1.1
247.40939	0.2
253.09273	7.7
254.09676	0.4
277.21722	46.5
278.22083	5.0
445.20850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
57.03331	0.3
58.00468	0.2
59.01250	4.3
71.01254	3.2
73.02818	0.9
80.02545	0.9
81.03341	0.9
83.01260	0.5
83.04899	3.0
84.02058	0.5
85.02807	0.9
87.00746	1.0
89.02327	2.1
95.01255	0.3
95.04871	0.4
97.02837	0.3
99.24784	0.2
101.02312	3.1
113.02333	1.5
119.03386	0.4
125.02303	0.2
125.05980	0.5
127.07568	0.3
133.04926	0.3
135.08051	0.4
143.03387	0.2
145.04956	0.7
161.04463	1.2
163.11214	3.2
164.11409	0.2
165.12776	1.6
179.05563	0.3
181.12328	0.3
191.10698	0.7
199.13359	0.2
209.11777	80.0
210.12111	5.6
223.38860	0.2
227.12851	9.0
228.13202	0.6
229.90533	0.3
233.22821	0.5
235.08220	6.9
236.08472	0.4
253.09282	9.2
254.09697	0.5
259.20621	0.6
275.20102	0.4
277.21729	100.0
278.22076	11.5
445.20941	0.3
576.08099	0.2
640.28625	0.2
668.48224	0.3
721.64984	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82224	0.7
59.01233	3.4
61.98707	17.0
69.90761	0.9
71.01255	6.8
71.54398	1.4
72.99197	1.0
73.02802	1.6
73.88393	0.8
75.00773	1.0
81.03268	0.8
83.01256	0.9
85.02805	3.8
87.00758	1.0
87.04341	0.9
88.98682	1.9
91.01748	2.0
93.03342	2.0
96.21600	0.9
96.95884	2.2
100.34643	0.9
101.02303	3.2
108.02052	1.1
109.02824	2.4
113.02328	2.6
116.92708	2.2
117.03366	2.0
119.01273	5.2
119.04904	1.4
121.02848	5.4
122.03630	1.4
123.04364	3.3
125.02377	3.9
132.02086	5.7
133.02759	1.5
134.03619	7.4
135.04391	3.1
136.01566	44.3
137.02266	3.0
145.02843	5.5
147.00768	4.6
147.04413	1.9
149.02350	13.3
149.05962	1.9
150.03033	1.4
151.00241	1.4
151.03914	47.7
152.00964	1.2
152.04221	2.4
159.04335	1.0
160.01587	22.9
160.05232	1.5
161.02225	2.6
162.03073	1.7
163.03889	4.2
164.04706	15.7
165.01804	3.2
165.05396	1.8
166.02608	3.5
167.03310	1.1
175.00288	30.2
175.02541	1.7
175.03911	22.4
176.00861	1.8
176.04495	2.0
177.01878	1.2
177.05455	1.6
178.02646	1.0
179.03383	1.9
179.07028	3.2
181.04942	3.8
187.03864	1.1
189.01877	1.2
190.02646	68.3
190.87659	0.8
191.03130	5.7
191.06960	2.0
193.01274	1.1
193.05026	6.6
195.06508	0.9
203.07036	1.0
205.05005	77.0
206.05374	7.2
208.03677	2.0
209.04430	1.7
209.11636	1.8
221.04417	1.0
221.08060	1.1
223.06078	17.1
223.08180	1.0
224.06334	1.0
232.03831	1.0
235.05998	0.9
247.06090	1.3
255.03174	0.9
264.19690	0.8
265.07010	1.0
267.06677	1.0
275.01959	0.9
279.06522	1.3
289.06824	0.9
297.07864	1.2
307.08212	2.0
311.09213	1.1
312.09833	1.0
327.12347	5.5
337.06024	1.1
337.09262	24.5
338.09555	2.1
342.11047	2.0
343.11902	7.9
357.09528	1.1
357.13474	14.0
357.26312	2.1
358.13947	1.8
367.10327	100.0
368.10660	9.1
373.12799	3.3
387.14340	3.7
403.13690	0.9
429.56412	1.0
501.30753	5.3
503.40161	1.0
515.40723	0.9
519.31799	1.5
577.93890	1.0
724.23334	0.9
725.24274	33.8
726.24762	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	725.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87717	0.5
57.03307	0.7
59.00991	1.0
59.01256	12.7
61.98700	1.4
67.85824	0.6
69.03338	1.6
71.01244	3.5
71.04891	0.8
71.54057	0.7
80.65311	0.6
81.20815	0.7
83.31510	0.6
85.02817	0.7
87.00738	0.6
88.41827	0.7
89.02301	2.5
97.02893	0.9
101.02319	3.3
109.06466	1.1
111.08036	1.3
113.02342	2.0
119.03316	0.8
121.02753	0.6
125.02256	0.7
128.19958	0.6
143.03413	0.7
149.09685	1.0
153.12749	1.1
155.22656	0.6
161.04460	1.5
163.41013	0.6
167.10681	2.5
169.12259	3.5
170.82010	0.6
179.10628	1.4
179.14308	2.3
193.98822	0.6
195.13853	10.9
197.11765	41.6
198.12132	2.5
205.12289	9.5
206.12520	1.5
209.11806	1.0
211.13367	1.3
223.13351	100.0
224.13713	5.6
235.08159	3.7
249.14944	0.6
253.09271	7.5
265.24319	0.6
291.19696	6.3
309.20700	13.3
433.20691	2.0
441.21008	1.9
459.22348	14.2
460.22635	1.3
647.34528	1.6
665.34918	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	725.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.7
58.74513	0.5
59.01256	6.3
60.48607	0.6
61.98703	1.3
66.90948	0.5
69.03342	0.6
71.01266	4.4
71.54101	0.6
73.02803	0.9
83.01243	0.7
85.02826	1.5
89.02315	3.8
97.06476	2.9
99.00748	0.7
101.02323	5.4
104.97276	0.5
112.50970	0.5
113.02345	2.1
119.03332	0.6
119.49169	0.6
125.02351	1.1
133.04961	0.8
151.11194	13.7
160.93742	0.6
161.04498	1.6
169.12262	100.0
170.12613	4.8
174.93445	0.7
195.10202	1.7
195.13829	2.5
198.53949	0.6
213.11252	13.0
223.13361	1.9
235.08240	1.6
253.09259	3.6
275.20197	1.6
293.21228	12.3
294.21484	1.3
431.19186	2.3
449.20251	7.6
508.81757	0.6
725.41180	97.9
726.41510	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	725.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02262	2.6
65.00208	1.8
70.74114	1.9
71.01261	6.5
71.66023	0.9
72.32265	0.9
80.68886	0.9
83.01262	1.2
93.03320	4.9
101.87328	0.9
107.01274	5.5
108.01617	1.5
109.02813	1.3
117.03357	25.2
118.03689	8.4
119.04055	2.0
119.04916	21.6
120.05252	9.5
121.02856	2.2
123.04400	1.8
130.04109	1.1
131.04941	1.8
135.00787	1.8
143.04948	1.9
144.05409	1.0
145.02861	77.7
146.02049	1.6
146.03198	32.6
147.03426	9.1
149.11925	0.9
151.00275	5.5
152.00645	1.8
153.00697	1.0
159.04430	5.6
160.04773	1.9
162.03123	2.7
163.00262	3.1
163.03929	22.0
164.00723	1.5
164.04263	8.4
165.04471	2.8
167.04932	1.3
171.04459	0.9
177.09126	3.3
185.06055	2.7
186.06371	1.6
187.03934	15.9
188.04324	9.4
189.04417	1.1
192.11470	5.6
197.06020	1.0
199.03880	1.2
201.23207	1.0
205.12251	3.3
207.13919	0.9
211.04004	2.4
212.04501	1.5
213.05595	1.3
214.05884	2.0
218.09419	1.7
219.09630	1.2
220.12576	1.9
220.14653	36.0
220.16794	1.7
221.15427	83.3
222.15802	7.5
227.03465	12.4
228.03810	9.2
229.05170	10.5
229.08601	1.5
230.05423	6.1
231.05678	2.1
235.13371	1.1
236.10516	72.9
237.10979	4.0
240.03835	1.2
241.04822	1.8
255.02963	23.4
256.03348	18.5
257.03839	11.0
258.04892	6.3
259.05078	2.1
273.07635	2.5
274.08075	3.3
275.08093	1.5
283.02597	5.0
284.03220	23.4
285.03983	100.0
286.04358	77.7
287.04605	46.0
288.04858	2.2
291.08817	1.7
292.09204	2.1
293.17615	45.1
294.17883	4.1
303.40747	1.0
349.22055	0.9
384.10605	1.0
437.12457	10.4
438.12720	17.2
439.13037	21.1
440.13263	2.3
541.93549	0.9
560.13196	2.9
561.13342	4.4
577.13831	1.3
578.14001	3.7
579.14099	8.2
725.17871	33.2
726.18134	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	727.262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.5
59.01237	3.5
60.34041	1.0
61.98703	10.7
69.35886	1.8
69.36300	6.3
71.01266	6.2
73.02824	1.2
73.04984	1.0
74.46819	1.0
83.01268	1.3
85.02805	3.4
87.00723	1.6
88.98647	1.5
89.02302	3.2
91.01750	2.1
91.05487	1.1
93.03332	1.4
95.47091	1.1
96.95871	2.3
98.19833	2.1
99.00741	1.3
101.02341	2.7
108.02060	1.3
109.02827	2.6
109.06536	1.0
111.00736	4.7
113.02320	2.3
116.46939	1.1
116.92680	1.5
119.01283	5.4
121.02853	6.3
123.00772	1.2
123.04388	4.6
125.02326	7.6
125.81300	1.2
128.02432	1.2
133.01352	1.0
133.02811	2.1
133.41917	1.2
134.03630	4.0
135.04408	2.7
136.01584	2.2
137.02335	3.7
145.02872	3.8
147.00766	4.2
147.04410	2.6
149.02353	19.1
150.03163	6.1
151.03874	4.5
152.01024	1.2
153.05476	2.9
158.03653	1.8
159.04436	6.9
160.01639	6.2
160.05217	15.2
161.02409	6.4
161.05908	4.7
163.03923	7.2
164.00998	1.2
164.04726	17.3
165.01842	4.8
165.05351	2.6
167.03433	2.3
173.05937	1.6
175.00287	30.1
175.03922	6.7
175.07568	13.4
176.00874	2.4
176.04558	1.1
176.07893	1.1
177.01881	1.4
177.05470	3.6
178.06161	3.9
179.03371	1.2
179.07001	3.5
180.04240	1.2
190.02643	80.7
191.03143	6.9
191.05411	2.0
191.07198	1.5
193.01447	1.1
193.04893	2.0
205.05011	79.4
206.05338	5.1
208.03595	2.5
209.04399	2.1
223.06067	18.5
224.06526	1.2
232.03745	1.3
247.06006	1.6
255.10019	1.3
269.08121	5.2
281.07974	1.3
283.09668	2.8
289.07245	5.4
299.09268	3.5
311.09262	5.7
314.11734	8.5
315.12122	3.1
326.11459	4.0
329.13947	34.8
330.14212	4.4
337.09268	4.7
341.13928	2.7
343.11905	1.6
345.13284	3.2
359.14780	1.1
367.10336	100.0
368.10577	8.6
421.86652	1.1
557.18311	1.3
632.53625	1.2
642.75177	1.1
727.25891	52.1
728.26062	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	727.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.8
59.01257	6.6
61.98701	25.2
71.01250	7.2
71.54176	0.8
71.54606	1.2
73.02828	1.5
75.00734	1.7
80.01943	0.9
83.01247	2.7
85.02827	3.0
87.00742	2.9
88.98679	3.8
89.02312	3.1
91.01762	2.5
92.83648	0.9
93.03348	2.8
96.95862	1.6
99.00730	1.4
101.02320	3.9
108.02066	1.4
109.02834	3.6
111.00771	1.4
113.02276	1.4
116.92725	1.1
119.01298	9.6
119.04939	1.8
121.02857	9.3
123.00755	1.6
123.04390	4.1
125.02361	9.2
132.02043	3.9
133.02811	2.3
134.03642	6.2
135.04385	3.6
137.02374	6.0
139.03859	1.5
145.02821	2.4
147.00812	6.8
147.04402	1.8
148.01538	1.0
149.01222	1.7
149.02353	28.1
149.06056	1.2
150.03040	4.1
151.03905	5.1
152.01091	1.4
153.01878	1.4
153.05429	2.1
160.01569	14.6
161.02371	10.7
161.05922	1.8
162.03053	1.6
163.03961	5.8
164.01053	1.4
164.04706	20.8
165.01817	4.3
165.05463	2.3
166.02690	1.2
167.03426	1.8
175.00288	44.5
175.03894	12.9
176.01044	12.0
177.01747	4.2
177.05475	1.2
179.03415	2.6
179.07094	2.2
180.04106	1.4
187.03928	1.2
189.01819	2.5
190.02650	100.0
191.03343	12.3
193.01491	1.2
193.05022	6.3
194.02135	1.4
203.07036	1.6
205.05006	97.5
206.05333	6.1
207.02852	1.5
208.03700	2.7
209.04451	3.3
209.11821	2.4
221.08313	1.2
223.06062	24.7
227.12886	1.1
245.08018	3.2
251.05769	1.6
269.07928	2.0
275.12976	2.4
281.08212	1.9
289.07190	12.4
290.07544	1.8
311.09164	2.3
315.12247	1.0
325.09537	1.1
326.11496	2.7
327.12265	1.6
329.13889	2.2
341.13940	1.6
349.69553	1.0
355.12195	1.4
357.13242	1.2
423.14410	2.1
433.40237	1.0
437.15720	2.2
439.17844	1.5
451.10159	1.2
471.16629	1.3
473.17902	1.0
476.16827	2.1
491.19159	5.8
503.19376	12.0
504.19321	2.0
557.17920	3.9
575.19318	3.1
575.33185	1.2
591.20953	1.4
601.20654	1.5
682.22577	1.8
693.38751	1.3
697.25079	76.5
698.25262	15.0
709.25000	46.9
709.37451	2.1
710.25244	10.1
727.24658	4.0
727.37280	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	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	19.7
71.01256	1.8
71.33598	0.4
73.02811	0.4
83.01232	0.6
85.02845	0.4
87.00739	0.5
89.02319	1.4
90.09930	0.3
101.02322	2.3
113.02317	1.1
119.03402	0.5
125.09574	0.5
125.84689	0.3
127.11185	1.0
129.25606	0.3
133.05008	0.3
145.04962	0.3
153.09064	0.6
161.04437	1.3
171.10181	84.8
172.10507	3.8
179.05397	0.4
209.11710	1.4
210.12119	0.7
233.86194	0.3
235.08163	4.0
253.09259	8.7
277.21716	100.0
278.22079	8.3
279.23175	1.0
280.23615	1.3
281.24396	0.5
407.19278	1.2
513.30688	1.0
604.44043	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69937	0.2
59.01252	14.3
70.55392	0.7
71.01250	1.4
71.38598	0.2
73.02834	0.2
82.92702	0.2
85.02829	0.3
85.52283	0.2
89.02314	1.6
101.02328	0.9
105.82051	0.2
113.02342	0.4
119.03374	0.3
125.09606	0.9
127.11184	1.3
131.03395	0.3
153.09105	0.3
161.04453	0.8
171.10184	100.0
172.10518	4.9
179.05556	0.3
209.11942	0.4
235.08185	1.9
237.51402	0.3
253.09273	5.9
277.21719	49.4
278.22089	4.6
293.28888	0.3
322.27737	0.3
407.19089	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	729.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	19.3
59.01250	5.7
60.98606	0.8
61.98704	29.1
63.80340	0.9
69.03316	1.4
71.01262	6.5
71.54458	1.5
72.57652	0.9
73.02820	1.8
77.11990	1.0
81.03323	1.8
83.01263	11.1
83.04903	1.0
85.02846	1.1
87.00780	1.4
88.98682	2.9
89.02312	2.8
93.03341	2.3
95.04913	3.8
96.95918	1.0
97.02850	6.3
101.02328	4.1
105.03360	1.2
107.04929	2.2
108.02065	2.0
109.02837	21.9
111.08027	1.4
113.02343	2.6
117.03364	1.8
119.04916	1.3
121.02857	6.4
122.03667	5.2
123.04420	18.2
124.01575	5.0
125.02339	100.0
126.02686	3.6
132.02104	1.3
133.02878	7.2
135.04399	3.9
136.01563	2.0
137.02350	20.1
138.03050	0.9
139.03911	3.9
143.03459	0.8
145.02858	1.8
146.03632	1.4
147.04405	1.4
149.02354	12.9
150.03122	4.0
151.03912	16.3
152.04311	1.0
153.05426	1.2
159.04428	3.5
160.01578	1.5
161.02359	42.3
161.04506	2.9
161.05861	4.8
161.68433	0.9
162.03099	4.9
163.00291	2.2
163.03906	9.1
163.11238	1.5
164.01062	4.1
164.04683	2.3
165.01866	13.9
165.05475	2.9
166.02335	1.5
167.03461	1.3
174.03197	1.2
175.03946	8.0
175.07579	1.4
176.01178	1.3
177.01837	11.1
177.05522	3.4
179.03413	4.3
179.05547	1.5
179.06972	1.0
179.14241	1.3
187.03918	5.1
188.04639	1.7
189.01907	1.5
189.05431	2.0
190.02586	2.9
191.03429	1.7
193.05098	1.4
193.12297	3.2
201.05476	3.1
202.06216	1.5
203.03473	2.4
203.07076	11.3
205.01370	2.5
205.04997	13.1
209.11824	1.5
213.05418	1.4
215.03461	1.1
217.04997	1.7
219.06699	1.7
221.08185	2.2
227.03563	2.1
227.07031	1.5
228.04181	1.5
229.05028	3.2
230.05684	1.3
231.02911	1.3
241.05180	1.7
243.02975	2.1
244.03619	1.3
245.04523	6.0
245.08243	4.9
247.06055	5.1
253.08699	1.1
255.03044	4.7
256.03732	5.7
257.04361	1.2
259.13470	4.6
269.04626	2.3
270.04971	1.2
271.13385	1.6
277.14450	17.7
278.14896	1.2
281.04559	1.5
283.02475	3.5
287.05615	7.6
289.07208	28.4
289.14264	5.2
290.07556	1.9
295.06024	1.9
297.03888	1.1
299.05795	1.6
311.16052	1.0
315.08752	4.6
321.07758	1.1
322.08334	2.0
327.16107	1.3
327.25296	1.3
339.08701	2.1
341.06830	1.3
354.07336	1.6
357.26559	11.1
373.14932	2.5
373.25916	7.9
389.14328	2.9
395.19150	1.1
397.16248	1.5
397.21069	1.0
407.14990	3.8
423.18289	4.1
424.18329	1.0
425.16125	3.9
426.16122	1.6
437.15808	1.4
439.17676	9.0
441.19180	44.0
442.19501	6.0
451.10501	2.6
451.17618	7.2
452.17670	1.0
463.17422	1.8
481.18271	1.1
515.66510	1.0
541.18921	4.4
559.19696	56.1
560.20007	10.0
577.20679	14.3
578.20990	2.7
603.22217	7.6
604.23022	2.0
729.25531	7.0
729.37061	2.6
730.26202	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	729.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	8.2
59.01251	5.5
61.98705	54.0
65.00217	0.8
65.03848	1.2
67.01759	1.0
68.46799	0.9
69.03329	1.8
69.23991	2.0
69.24399	6.1
71.01256	4.0
72.99175	1.3
81.03336	3.7
83.01251	13.6
83.04881	0.9
85.02838	2.8
88.98696	3.9
89.02325	2.5
91.01731	1.0
93.03336	4.4
95.01242	1.6
95.04896	4.9
96.95882	1.5
97.02821	7.8
101.02343	1.2
105.03339	1.1
107.04932	2.3
108.02085	2.2
109.02838	37.7
111.00774	1.4
113.02348	1.0
113.56880	1.0
117.03394	1.7
119.04927	2.8
121.02844	8.6
121.06498	1.0
122.03640	3.4
123.00742	1.2
123.04417	25.5
124.01553	10.3
125.02345	42.6
126.02699	1.6
132.02068	3.5
133.02876	5.7
134.03645	8.4
135.04414	9.6
136.01477	1.3
137.02345	40.3
138.03004	1.4
139.03889	7.0
139.11015	0.9
145.02826	2.8
146.03650	2.8
147.04414	2.5
148.01608	1.0
148.05199	1.4
149.02347	12.0
149.06044	1.8
149.13300	1.2
150.03137	5.8
151.03915	20.9
152.04269	1.0
153.05441	1.9
159.04433	4.7
160.01567	8.8
160.05170	2.9
161.02359	38.1
161.05991	8.9
162.03140	11.0
163.00323	5.8
163.03926	14.4
163.11234	4.6
164.01088	11.4
164.04735	6.0
165.01837	10.7
165.05469	3.2
166.02550	1.2
167.03485	2.1
171.10144	1.0
173.06007	2.0
174.03137	1.8
174.06425	1.0
175.00311	1.3
175.03920	20.4
175.07541	2.5
176.01048	1.7
176.04448	1.3
177.01877	8.3
177.05501	3.7
178.02612	1.9
179.03441	9.5
179.07047	2.4
179.14336	3.1
180.03937	0.9
181.04941	1.3
185.06012	2.3
187.03915	9.6
188.04745	6.2
189.01848	3.2
189.05495	3.9
190.02670	5.0
191.03436	3.0
191.14345	1.9
193.05005	6.0
193.12231	6.5
194.05188	0.9
195.06532	1.5
198.03116	1.0
199.04015	1.2
201.05522	2.9
202.06311	2.7
203.03523	4.6
203.07072	17.2
204.07423	1.3
205.01451	5.4
205.05002	20.7
206.05464	1.6
207.02951	1.2
207.93887	0.9
211.04037	1.0
211.05963	1.0
213.05505	1.4
215.03537	1.4
215.07007	1.8
216.04253	1.1
217.04900	2.4
219.02919	1.3
219.06581	2.4
221.08125	3.7
223.06017	1.7
225.05577	1.1
227.03421	2.4
227.07047	3.2
228.04266	1.8
229.04977	3.4
229.08824	1.3
230.05844	1.8
231.02965	2.2
235.13457	1.4
243.02985	3.4
244.03696	2.3
245.04451	3.2
245.08179	20.3
246.08575	1.8
247.06067	3.0
247.13368	2.4
255.03021	6.1
256.03745	2.4
259.13394	11.8
269.04529	2.1
271.06177	1.9
271.09628	1.8
273.04077	2.5
277.14453	61.1
278.14722	4.2
281.04541	2.5
285.04105	2.2
285.07828	1.3
285.11282	1.1
286.04797	3.5
287.05676	1.4
289.07193	100.0
290.07437	9.0
297.07654	1.2
299.05661	7.9
299.13037	1.3
300.05936	1.1
313.14581	1.3
315.08749	15.5
316.09354	1.1
316.12997	1.4
317.13818	1.2
321.07730	2.0
329.06815	2.4
331.08307	1.1
337.09348	3.5
339.08676	4.2
341.06778	5.7
359.28122	1.7
361.16483	4.5
373.11377	1.3
373.26016	3.7
375.27454	1.5
376.27737	1.2
381.09824	1.2
395.18823	1.3
397.16583	6.5
407.07672	15.2
407.15024	2.8
408.07883	2.2
409.09332	1.1
425.09177	5.2
425.15927	7.0
426.16150	1.2
439.17639	30.9
440.17868	3.5
441.19333	3.5
451.10388	13.6
452.10565	1.8
533.21838	2.7
541.18921	3.1
559.19739	26.2
560.20062	5.3
576.12085	1.4
577.20764	24.6
578.21216	6.7
584.58038	0.9
603.22272	3.2
684.30090	1.0
711.23645	1.6
729.26520	17.1
729.39032	1.9
730.27087	5.6
730.38910	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06697	1.1
56.33080	1.2
57.03329	9.7
59.01252	7.2
60.99176	1.8
61.98704	72.0
65.72136	1.4
69.03355	1.6
70.51786	1.3
71.01257	5.2
71.54617	1.3
72.99187	2.2
75.00748	2.8
81.03339	2.9
83.01254	15.0
85.02831	3.4
87.00751	1.6
88.98660	7.6
89.02330	3.3
93.03340	4.4
95.01286	2.4
95.04900	6.6
96.95885	1.6
97.02821	7.6
101.02339	2.7
107.04918	3.6
107.30145	1.2
108.02002	3.1
109.02841	33.4
110.03183	1.3
117.03354	1.6
119.03392	1.9
119.04868	1.7
121.02886	9.3
121.06507	1.4
122.03605	3.3
123.04414	27.7
123.14491	1.6
124.01543	8.3
125.02345	42.7
133.02852	5.7
134.03677	2.3
135.04405	6.8
137.01384	2.3
137.02361	31.0
138.03014	1.4
139.03900	5.7
145.02882	3.9
146.03589	2.1
147.04439	2.3
149.02344	10.3
149.05922	2.3
150.03191	7.1
151.00339	2.2
151.03911	20.6
159.04451	6.5
160.01529	4.5
160.05234	2.2
161.01065	2.9
161.02362	46.1
161.05992	7.4
162.03142	11.0
163.00279	4.5
163.03925	13.9
163.11171	5.2
164.01091	9.9
164.04674	2.2
165.01848	11.0
165.05475	4.9
166.02588	2.7
167.03413	3.5
173.05994	2.4
174.03123	2.3
175.00403	1.8
175.03944	13.5
175.07439	1.6
176.04396	1.4
177.01857	6.6
177.05496	3.2
178.02654	7.6
179.03423	11.8
179.14339	3.5
181.05009	2.2
187.03963	9.4
188.04698	5.3
189.01880	3.2
189.05531	1.5
190.02614	7.1
191.03387	3.9
193.05025	15.6
193.12273	7.8
195.06541	3.5
198.13666	1.6
199.03909	1.8
199.05885	1.4
201.05482	2.9
202.06236	2.8
203.03426	3.8
203.07079	18.8
205.01398	3.2
205.05003	20.9
206.05283	1.6
207.06552	5.9
214.06195	1.5
215.03398	3.0
215.07005	1.4
217.04918	2.2
219.06575	2.6
221.08134	3.0
223.06024	2.3
227.07065	3.2
228.63634	1.3
229.05019	3.2
230.05829	1.7
241.04935	1.9
243.03003	2.2
245.04465	2.9
245.08153	16.0
246.08646	1.6
247.06042	2.6
247.13388	1.8
255.03032	3.1
255.06557	1.8
256.03677	2.6
257.04279	2.3
259.13449	10.6
269.04446	1.6
271.06207	1.7
273.04156	2.4
277.14447	58.7
278.14880	7.0
281.04584	1.7
285.04001	1.8
287.05301	2.5
289.07193	100.0
290.07605	8.1
290.10495	1.3
297.07751	1.8
299.05545	6.7
315.08759	16.8
316.13159	1.8
317.13828	2.5
329.06790	2.1
339.08798	3.9
341.06628	4.2
355.24933	3.1
373.25970	6.3
397.16556	6.0
407.07614	4.6
421.16629	1.7
425.08859	1.9
425.16046	4.7
439.17593	31.8
440.18027	5.3
441.18970	2.8
451.10437	15.1
452.10599	2.2
541.18628	5.8
559.19800	29.0
560.20178	5.7
577.20752	24.4
578.21167	5.8
685.28302	2.3
729.25964	15.5
729.35687	2.7
730.25879	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	729.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.2
59.01245	5.2
61.98701	23.7
71.01254	10.3
72.45902	1.5
73.02835	2.1
74.98956	1.7
83.01229	2.3
85.02825	4.4
88.98688	2.8
89.02331	3.9
93.03304	5.8
93.42261	1.4
101.02316	3.3
105.48446	1.7
108.02074	2.6
109.02851	10.2
113.02319	1.8
116.12852	1.8
117.03377	1.9
119.01295	4.9
119.03397	1.9
119.04929	3.0
121.02852	18.2
122.03653	11.9
123.00770	3.0
123.04408	11.0
124.01545	4.9
125.02342	23.3
131.78154	1.6
133.02859	2.0
133.73811	1.8
134.03595	5.8
135.04388	5.7
136.01556	10.3
136.99040	3.4
137.02357	15.1
139.03873	2.8
145.02881	4.7
147.00743	2.1
147.04462	8.9
149.02345	17.8
149.05960	3.7
150.03131	9.9
151.03944	16.6
152.00989	2.4
153.01776	2.5
154.02602	3.0
159.04459	1.6
160.01561	4.6
161.02307	9.0
161.06007	3.6
162.02960	1.6
163.03891	5.1
164.01074	2.1
164.04704	15.5
165.01868	5.4
165.05479	30.8
167.03416	2.6
175.00281	24.2
175.03951	9.0
176.00807	2.8
177.01845	3.4
178.02705	2.0
179.07065	10.1
180.04236	3.7
187.03944	2.0
190.02654	56.3
191.03108	4.7
191.05545	3.1
191.07077	2.5
193.04976	5.8
195.06580	7.5
203.07092	3.6
205.05019	72.9
206.05287	3.6
208.03667	1.9
223.06061	16.7
224.06403	2.7
245.08069	2.9
277.14398	3.6
289.07166	14.9
315.12289	2.2
321.45432	1.7
327.12445	2.1
337.09045	2.7
346.14273	8.7
347.14755	4.8
357.13431	6.4
361.16562	54.9
362.16837	6.0
367.10327	100.0
368.10608	10.0
371.24219	2.8
373.25720	3.5
407.07721	4.3
439.17535	3.7
441.18997	2.3
477.13538	1.7
533.16614	2.2
559.19550	7.4
567.22302	3.5
577.20642	5.6
603.22919	2.5
729.27271	42.8
730.28357	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	729.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.8
58.00497	1.5
58.65809	1.2
59.01252	32.2
60.99169	1.6
61.98704	35.4
63.96115	2.6
69.03319	1.2
71.01256	29.6
72.99192	3.1
73.02811	1.5
81.03327	2.4
83.01265	4.0
85.02822	5.7
85.99990	1.7
87.00734	2.6
88.98672	8.5
89.02319	36.0
93.03316	1.8
95.01273	3.1
96.43875	1.3
96.95911	4.2
97.02817	2.5
98.20557	3.0
99.84482	1.4
101.02319	16.0
108.02052	3.8
109.02863	10.6
111.00761	2.0
113.02338	10.4
117.03352	1.3
119.03384	16.6
119.04891	1.1
121.02847	5.4
122.03649	4.8
123.00792	4.2
123.04415	7.6
124.01563	4.5
125.02351	27.2
128.09958	1.4
131.03404	2.4
133.02855	2.5
134.03641	4.2
135.04449	3.2
136.01570	67.7
137.02382	22.3
139.03880	3.9
143.03424	3.1
145.02838	3.9
146.03650	1.7
149.02383	6.2
149.04529	2.7
150.03139	5.2
151.00314	13.0
151.03926	77.4
152.04321	2.4
153.05489	1.7
159.04398	1.7
160.01581	3.3
160.05211	1.6
161.02338	12.0
161.04474	5.4
161.05812	1.7
162.03096	1.5
163.03897	5.8
164.01071	3.2
164.04720	4.1
165.01843	7.8
165.05447	3.2
166.02643	41.4
167.03366	5.1
167.96371	1.6
175.03964	9.5
175.07600	1.6
176.04555	2.2
177.01849	5.5
177.05511	2.4
178.02658	7.1
179.03357	2.8
179.05545	17.1
179.07097	5.6
181.04996	48.1
187.03912	3.1
189.05536	3.0
190.02647	2.8
191.03387	3.7
191.05577	1.8
191.63083	1.3
193.01311	1.8
193.04984	14.4
195.03285	1.3
195.06581	2.8
197.05956	1.2
203.03453	2.1
203.07121	2.6
205.01399	1.5
205.04980	6.8
205.08572	1.5
205.85139	1.3
206.05844	6.2
207.06726	1.5
209.11754	7.2
211.05885	1.3
219.02945	1.4
219.06680	2.3
221.08127	4.2
224.24286	1.3
227.12907	1.9
233.08530	11.2
245.04543	1.6
256.03738	1.6
257.04428	1.4
277.14496	4.0
281.04700	1.6
284.06638	1.8
285.04001	1.5
287.09225	2.2
289.07202	14.6
290.07492	2.0
309.07733	2.1
341.12433	4.5
342.11060	3.0
355.24722	2.4
357.09738	15.5
357.13507	11.9
358.10022	2.2
369.13452	8.0
371.24316	4.9
372.12094	13.7
373.26010	6.7
387.14493	100.0
388.14755	9.5
407.07562	4.4
439.17715	2.3
441.18951	6.2
559.19611	8.4
577.20245	3.2
711.26294	3.6
729.26733	13.9
730.27856	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	729.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88659	1.9
58.46522	2.1
59.01239	11.1
59.02837	1.9
61.19890	1.8
61.98705	26.1
66.78448	2.2
69.30540	16.0
71.01269	7.6
73.02859	2.0
75.00766	2.1
83.04908	3.2
85.02826	3.2
87.00777	3.0
88.98684	6.5
89.02317	6.1
96.95869	2.6
101.02328	5.0
113.02368	5.6
123.04423	2.7
125.02330	9.5
143.04549	2.3
151.03880	2.8
161.04465	2.6
163.07347	1.9
167.03377	2.4
171.10156	2.4
179.14351	2.6
191.03374	2.3
191.22180	1.9
194.83299	2.0
195.13896	9.5
197.11855	3.1
201.11255	18.7
205.12299	10.8
209.11783	82.7
210.12181	4.5
223.13362	100.0
224.13742	4.3
227.12834	13.6
235.08208	3.8
253.09195	12.7
291.19623	3.1
309.20798	5.1
357.26501	2.3
459.22351	12.1
651.33789	2.9
736.56085	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	729.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17569	1.3
56.07815	1.0
57.03338	2.3
58.48897	1.1
59.01254	8.8
61.98706	16.2
70.62218	1.1
71.01254	6.5
71.09009	2.2
81.03332	1.8
83.01263	2.0
83.04900	3.8
85.02828	1.5
87.00795	1.8
88.98679	5.0
89.02332	4.2
101.02315	3.2
110.30689	1.3
113.02343	2.7
116.92822	1.5
119.03340	1.5
121.02857	1.5
123.04394	2.5
125.02354	8.7
151.03845	2.6
161.04408	2.1
163.11166	4.2
165.01822	1.6
165.05495	1.7
165.12744	4.1
167.03401	2.1
167.10641	1.2
171.10172	1.8
195.13875	3.2
197.11746	4.3
201.11264	17.4
205.12318	4.5
209.11772	100.0
210.12140	5.9
223.13350	44.5
224.13780	2.6
227.07103	4.1
227.12845	12.2
235.08138	2.8
253.09230	11.4
291.19617	2.5
309.20682	6.3
357.26337	1.6
359.28021	2.3
387.20218	1.3
445.20673	3.6
459.22543	1.9
597.14691	1.2
729.35266	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	730.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.4
61.98705	100.0
71.53844	0.3
80.96400	0.6
98.88209	0.2
112.01073	0.3
114.98530	0.2
153.37680	0.2
171.10179	1.1
172.10591	0.8
277.21793	0.5
278.22067	0.5
279.22659	0.3
718.86646	0.3
731.37457	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47783	0.2
59.01256	0.6
61.98704	100.0
69.47541	0.2
71.24760	0.5
80.96397	1.0
91.56801	0.3
94.97967	0.3
164.98563	0.4
171.10216	1.3
172.10429	0.5
173.10672	0.4
225.00789	0.4
277.21863	0.8
278.22168	0.6
279.22522	0.5
452.67834	0.3
714.35718	0.3
731.36902	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	731.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55130	0.7
59.01240	1.0
60.98890	1.3
60.99180	18.8
61.98711	3.5
63.11088	0.7
66.17607	0.7
73.09169	0.7
78.95762	0.9
87.00767	6.8
88.00294	2.2
88.98681	100.0
89.01746	1.2
89.02316	22.2
111.56435	0.8
123.23460	0.7
310.37106	0.7
438.13327	1.9
467.13739	2.6
481.15314	15.1
482.15680	7.8
483.15866	1.1
495.16705	1.7
496.16833	0.9
497.18405	4.1
498.18365	1.0
514.14990	7.8
515.15356	2.1
540.16467	4.2
541.17279	1.2
555.18872	38.5
556.19141	10.1
572.15198	5.7
573.15857	2.2
641.22729	1.5
659.23657	24.9
659.34784	1.3
660.23932	7.7
731.24854	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	732.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94437	0.1
59.01246	0.1
61.98707	100.0
62.98403	0.1
85.38748	0.1
88.04094	0.1
95.33526	0.1
123.57780	0.1
125.02347	0.2
165.84544	0.1
176.89690	0.1
209.11757	0.2
255.02979	0.2
283.02548	0.1
284.03171	0.2
285.04034	0.3
300.02841	0.2
363.72449	0.1
394.68420	0.1
547.84399	0.1
641.23260	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	733.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01031	0.9
59.01258	9.8
61.98710	2.2
66.30386	0.9
70.10295	0.9
70.10637	3.7
71.48428	1.0
78.91774	3.0
88.41919	0.8
125.02312	1.8
151.03917	1.3
151.62469	0.9
175.91631	1.0
203.36722	1.0
289.07327	1.4
427.14261	1.0
428.14807	1.1
438.09793	1.6
441.15213	1.2
442.16437	1.9
452.10056	1.0
453.12146	2.6
455.17389	8.9
456.17545	2.2
457.18915	13.3
458.19736	2.1
467.13599	1.0
469.11816	2.7
470.16333	1.4
473.18277	10.8
474.15619	4.1
475.15878	1.5
481.11584	1.3
483.13281	2.0
485.18436	3.7
488.17236	1.5
496.13992	9.0
497.14484	2.4
502.14899	1.2
510.15747	1.4
511.16061	15.2
512.13251	23.0
513.13824	7.1
513.20557	1.1
526.14874	16.2
527.15558	16.0
528.16467	5.6
529.17108	2.9
536.10364	1.1
555.18872	1.3
560.15930	2.0
583.18420	9.0
584.18622	2.6
597.20093	3.4
599.21857	7.9
600.21088	1.8
613.19135	1.7
614.20190	100.0
615.20612	47.9
616.20923	5.7
629.22607	1.3
645.21790	1.7
646.19165	13.0
647.19434	4.5
673.21838	4.6
674.22168	1.9
733.24115	3.6
748.56885	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	734.325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.5
61.98705	100.0
67.09669	0.2
70.56387	0.2
70.74051	0.6
71.01266	0.3
72.99171	0.2
74.79576	0.2
75.00753	0.3
78.91788	0.3
85.02864	0.2
88.98679	0.5
96.95913	0.3
101.02293	0.2
108.93367	0.2
113.02290	0.2
116.92789	0.3
121.02828	0.2
123.04430	0.7
125.02344	0.5
137.02396	0.4
138.01839	0.5
145.02887	0.3
148.21437	0.2
149.02373	0.5
150.03151	0.8
151.03886	0.3
153.05437	0.4
163.03824	0.2
165.05516	0.6
175.04016	0.3
190.02701	0.4
195.06595	0.7
196.06801	0.2
203.80011	0.2
205.05098	0.3
209.11821	0.7
210.12184	0.2
252.07359	0.2
357.26563	0.2
359.13684	0.2
537.23444	0.3
538.23486	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.1
59.01251	0.3
60.29022	0.1
61.98704	100.0
62.98404	0.2
71.01260	0.4
73.02831	0.1
79.03826	0.1
87.00734	0.1
88.98696	0.5
96.95908	0.2
101.02322	0.2
107.45045	0.1
108.02116	0.1
109.02898	0.1
112.69762	0.1
113.02347	0.1
116.92756	0.1
119.04911	0.2
121.02840	0.2
123.04415	4.8
124.04757	0.3
125.02351	0.3
134.03603	0.1
135.04430	0.2
145.02884	0.1
149.02371	0.1
150.03108	0.3
151.03949	0.3
153.05481	7.3
154.05794	0.3
160.01590	0.4
161.02390	0.2
161.04607	0.2
164.04556	0.1
165.01868	0.2
165.05467	0.1
173.64511	0.1
175.03966	0.5
176.21298	0.2
177.01939	0.1
195.06610	0.2
211.13339	0.1
222.13000	0.1
222.59950	0.1
238.20551	0.1
313.10461	0.1
315.10944	0.3
343.24548	0.1
344.12421	0.1
355.24799	0.8
373.25955	3.9
374.26294	0.4
415.27142	0.1
517.30420	0.4
620.25659	0.1
653.83038	0.1
668.24164	0.1
671.36548	2.5
672.36902	0.7
734.39691	0.2
735.29370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36486	0.2
55.01757	0.3
57.03325	0.8
59.01251	6.1
61.98682	0.6
69.03318	2.0
71.01255	3.8
71.04897	0.5
73.02821	0.7
77.31767	0.2
79.26125	0.2
79.85326	0.2
83.01273	0.5
83.04910	0.5
85.02834	0.8
85.06464	0.7
87.00755	0.8
89.02327	2.9
89.56411	0.3
93.03332	0.4
95.01247	0.4
95.04922	0.5
97.06480	0.3
98.05708	0.2
98.19802	0.8
101.02325	3.8
109.06516	0.5
111.08060	0.5
113.02332	1.9
113.09622	0.3
119.03399	0.6
125.02343	0.4
135.11653	0.3
141.09111	0.4
145.05038	0.3
148.56448	0.3
149.09612	0.7
153.09157	0.3
161.04445	1.4
161.13301	0.5
167.10722	3.2
171.10182	0.4
177.12807	1.0
179.05612	0.6
179.10718	1.3
179.14343	3.7
195.13849	14.9
196.14243	1.0
205.12286	9.8
206.12558	0.6
211.13461	0.5
223.13358	100.0
224.13702	7.1
225.14938	0.9
228.13689	0.5
231.21057	0.3
235.08206	3.5
236.08458	0.3
253.09291	16.2
254.09608	0.7
256.13165	0.9
265.21851	0.3
275.20160	4.9
277.73688	0.3
293.21246	78.9
294.21588	7.9
373.79550	0.3
441.21182	0.7
459.22385	9.6
459.28711	0.5
460.22635	1.2
492.21881	0.3
499.34265	0.8
529.30231	1.2
565.37421	0.3
735.42914	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	736.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01222	0.1
61.98704	100.0
62.05735	0.1
62.98404	0.2
69.21081	0.2
69.21516	0.2
71.01272	0.1
72.93929	0.0
83.26323	0.0
92.32275	0.0
123.04384	0.1
137.02458	0.1
153.05482	0.0
160.01619	0.1
175.03975	0.1
209.11784	0.1
384.59113	0.0
443.99167	0.1
630.24927	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	736.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61406	0.1
57.03341	0.2
59.01253	0.2
61.48180	0.1
61.98705	100.0
62.98414	0.2
69.45560	0.6
71.01260	0.3
73.02828	0.1
83.01269	0.1
83.04865	0.1
85.02831	0.1
88.98695	0.1
89.02365	0.1
94.26152	0.1
96.95905	0.4
101.02367	0.1
109.02888	0.2
112.24168	0.1
113.02345	0.1
116.92751	0.1
117.03339	0.1
121.02839	0.2
122.03660	0.1
123.04414	3.7
123.05292	0.2
125.02332	0.5
134.03656	0.1
135.04449	0.1
137.02370	0.4
139.03963	0.1
145.02856	0.3
149.02332	0.2
150.03178	0.3
151.03941	0.3
153.05481	5.4
153.59482	0.1
154.05850	0.3
160.01584	0.2
161.02345	0.2
161.04486	0.2
163.03920	0.2
164.01093	0.2
164.04738	0.1
165.01860	0.3
167.03325	0.1
175.00430	0.1
175.03905	0.1
179.03517	0.1
179.07027	0.1
190.02808	0.1
195.06627	0.1
198.07600	0.1
233.08546	0.7
239.23996	0.1
289.07202	0.2
315.10986	0.3
324.47656	0.1
357.26630	0.4
358.27246	0.1
373.25989	0.3
375.27502	3.0
376.28055	0.3
411.60663	0.1
417.28775	0.1
519.31958	0.4
600.02478	0.1
673.37891	2.7
674.38232	0.6
736.41125	0.3
737.30084	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	737.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	6.5
59.01241	6.1
61.39314	1.9
61.91814	2.0
61.98703	14.4
62.86991	1.5
63.02269	6.8
65.00201	8.7
69.03330	2.0
69.23571	8.6
69.23991	7.9
70.21836	1.6
71.01267	4.3
72.68662	1.8
74.57656	1.6
75.00731	1.9
77.20169	1.5
79.40469	1.7
81.03321	2.3
83.01265	9.3
85.02808	3.1
93.03340	5.6
96.95897	4.5
97.02834	3.7
98.19812	3.5
101.02334	2.3
103.55023	1.8
104.04855	1.8
107.01270	17.8
109.02795	3.8
111.20924	1.6
119.04906	2.2
121.02860	2.6
123.00758	2.0
123.04411	6.0
124.01544	4.6
125.02364	24.8
126.85130	1.7
135.04468	2.1
137.02353	20.5
138.49927	1.9
139.03854	1.8
145.02899	2.7
149.02374	2.9
150.03140	3.5
151.00291	58.4
151.03940	3.0
152.00832	2.2
159.04413	3.5
160.01549	2.4
161.02327	4.7
161.04510	2.4
161.05862	1.9
163.00305	4.0
163.03928	2.6
164.01018	3.7
165.01846	10.7
165.05467	2.1
167.03435	6.0
169.01404	9.7
173.06055	1.9
174.03023	2.2
175.03889	4.1
176.01004	2.0
177.01875	6.6
178.99802	57.2
179.03349	4.4
180.00351	2.0
180.03761	2.9
183.04358	4.6
187.03946	5.3
191.03497	2.2
191.05505	5.7
192.00505	2.5
193.01393	14.2
199.03947	3.5
201.05492	8.4
203.03482	6.3
205.01349	8.0
205.05017	3.3
207.02977	9.6
211.03955	8.3
212.04730	2.6
213.05499	4.4
214.02614	4.5
215.03448	5.9
217.01353	2.7
227.03363	9.3
227.06984	2.5
228.04106	6.1
229.01350	5.4
229.05083	11.4
231.02957	3.9
237.01962	2.0
239.03401	7.0
240.03998	2.2
241.01472	2.5
241.05060	4.9
242.02354	2.6
243.02977	9.9
247.02611	4.2
251.03540	3.5
253.05067	3.1
255.02922	4.8
255.06732	4.5
256.03705	9.8
257.04462	7.7
265.05072	4.5
267.02966	7.2
267.06311	2.7
280.03589	2.4
281.04538	5.8
283.02542	2.3
283.06174	2.3
289.07278	4.6
291.06635	2.0
293.04584	2.9
294.04755	2.3
299.05798	2.6
305.04437	4.0
306.05298	2.7
307.06046	3.9
317.04645	4.6
321.04041	4.0
325.03589	2.2
329.04367	2.9
330.05493	2.7
333.03897	4.5
334.04733	2.4
335.05710	5.0
337.03372	4.8
345.03897	4.9
346.04636	2.5
349.03400	2.8
350.04340	11.2
351.05090	11.5
352.05695	2.6
352.48782	2.3
359.05649	3.5
361.03308	2.9
363.05170	14.0
364.05328	2.8
366.03485	4.0
367.04480	9.7
373.03403	4.5
374.04340	2.1
375.04977	3.8
377.06992	3.7
379.04468	8.5
380.05249	5.3
381.06180	6.0
387.04959	2.6
390.03732	5.2
391.04654	15.5
392.05026	3.4
401.02939	8.5
403.04266	2.6
408.04831	5.0
409.05515	15.5
418.03198	5.5
419.04092	100.0
420.04340	14.8
431.04163	3.9
436.04007	4.3
437.04971	5.6
513.09686	8.7
529.08325	3.9
531.09503	3.0
539.06232	4.2
557.07361	20.8
558.07080	3.2
569.09436	12.6
570.10321	2.6
571.10577	3.3
575.08295	72.9
576.08594	15.7
581.08997	11.4
599.10413	25.9
600.10596	5.1
719.12469	6.1
736.29517	5.5
737.13654	55.3
737.29590	10.8
738.13324	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	737.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14928	1.2
53.46695	1.1
56.98171	1.2
59.01247	3.6
61.14960	1.1
61.98705	25.3
63.02271	1.7
65.00191	2.5
69.79942	1.1
71.01248	3.3
79.95608	3.3
80.96391	6.4
83.01266	1.9
83.80819	1.2
93.03342	5.3
95.04903	5.2
98.20741	1.1
103.55618	1.2
105.03342	2.9
106.61776	1.3
107.01255	3.9
109.02826	3.8
113.02349	1.6
117.03337	12.4
119.04915	11.6
121.02828	2.9
123.04397	16.0
125.02342	3.0
132.02081	8.8
133.02856	35.0
134.03256	1.6
135.00801	2.6
135.04420	1.4
137.02322	1.8
139.03896	1.9
143.04913	1.7
145.02861	21.0
149.02362	4.9
151.00264	5.8
151.03851	1.1
157.06445	1.4
159.00833	1.2
159.04456	3.1
161.02327	2.6
162.03052	1.2
163.00264	2.9
163.03922	17.9
163.11115	1.6
164.04544	1.4
171.04437	1.7
173.02264	1.3
175.03979	2.2
177.01860	9.7
178.99800	2.1
183.04456	7.0
185.02368	2.5
185.05975	3.3
187.03905	7.2
189.05499	2.2
191.03325	1.7
197.06029	1.5
199.03888	4.1
209.11775	18.9
211.03940	6.0
211.13272	1.8
213.05530	3.7
217.04965	2.6
218.01845	1.2
219.02924	1.7
225.00601	1.8
227.03477	24.7
227.12819	1.9
228.03995	1.8
229.05049	10.9
239.03542	3.0
241.05063	2.2
243.02950	2.4
249.07741	1.6
253.09293	3.1
255.02980	56.4
256.03400	6.4
257.04578	8.5
267.02963	1.7
271.02338	2.4
277.21765	1.4
283.02469	53.8
284.03238	48.1
285.04047	100.0
286.04410	7.2
287.05759	1.9
289.07059	1.7
291.19638	11.0
293.21188	1.7
299.01990	7.6
309.04156	1.8
309.20728	3.9
401.06616	3.6
413.08957	2.9
417.06049	1.7
444.88629	1.4
445.05661	3.7
451.10376	17.1
452.10626	3.7
559.12415	7.5
560.12415	2.0
573.10132	2.6
577.14069	2.4
591.11066	1.7
600.27368	1.4
603.11273	2.2
737.15216	24.4
737.32239	3.9
738.15625	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	737.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03294	0.5
59.01249	1.5
61.78468	0.4
61.98703	15.9
63.96101	1.4
69.03330	1.0
70.85656	0.9
71.01255	8.6
72.99217	0.5
73.02813	1.9
78.98461	5.9
79.95121	0.4
79.95607	15.0
80.96391	77.9
81.03349	1.0
81.96294	0.5
83.01254	0.6
83.04875	0.8
85.02823	3.5
85.77856	0.5
87.00754	3.3
88.98679	0.7
94.97963	18.8
95.01236	0.5
96.95878	2.4
97.02809	1.3
99.00780	0.7
101.02323	3.2
106.97980	4.5
113.02319	0.8
113.74065	0.4
121.02776	0.5
122.97467	4.8
123.04418	0.5
125.02325	4.5
127.03903	1.0
134.97472	6.0
135.04393	0.5
136.99036	1.9
137.02321	1.1
146.97467	0.5
148.99040	7.2
151.03857	0.5
152.98535	7.3
160.77054	0.4
163.03929	0.5
164.98541	16.3
165.01762	0.6
167.00070	0.5
179.00137	0.5
179.03386	0.5
193.04884	0.5
205.04971	0.5
206.99628	4.0
209.11809	5.5
210.12088	0.7
221.23866	0.5
225.00705	27.1
226.00972	0.9
249.06679	0.5
283.04926	1.0
430.46710	0.4
509.16989	4.2
510.17041	0.5
519.87885	0.5
566.83392	0.5
737.30597	100.0
738.30847	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	737.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24873	0.7
58.31364	0.7
59.01262	6.5
61.98703	10.3
69.03324	3.0
71.01235	5.6
71.04892	0.9
73.02815	1.1
78.95782	1.3
83.04891	1.2
85.02821	1.3
89.02306	2.6
97.02855	1.0
101.02329	4.8
113.02341	1.3
120.62282	0.9
124.89918	0.8
125.02393	1.0
125.09599	2.3
151.11154	2.5
153.12733	1.7
161.04503	1.1
161.09604	2.0
169.12236	2.6
171.10187	0.8
179.10704	5.4
191.26437	0.8
197.11774	83.9
198.12093	5.3
207.10150	1.2
223.09747	2.6
225.11269	1.7
235.08301	1.2
241.10808	4.0
253.09273	3.8
255.23186	1.2
277.21707	31.9
278.22021	3.2
291.19485	0.8
293.21344	1.3
313.38098	1.0
437.14020	1.0
443.22980	0.9
477.19788	2.6
483.52258	0.9
575.35773	1.0
737.41168	100.0
738.41522	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	737.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30571	0.8
59.01260	6.1
61.98712	6.4
69.03320	4.3
70.71503	1.5
71.01262	6.2
71.04903	0.9
73.02818	2.1
85.02818	2.2
87.00761	1.3
89.02312	3.7
95.01230	0.8
101.02322	4.1
113.02319	1.9
123.08024	1.0
125.09658	1.1
150.88724	1.0
151.11192	1.6
161.04466	1.3
161.09613	3.9
163.88492	0.9
169.12280	8.2
179.10683	7.2
197.11784	47.3
198.12097	3.1
207.10182	1.7
223.09720	1.1
235.08257	1.5
241.10875	1.4
253.09259	4.5
275.20184	1.2
277.21741	55.0
278.22006	5.1
279.23279	2.6
293.21149	2.1
437.64581	0.9
453.82785	1.1
477.19955	1.4
737.41168	100.0
738.41504	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	737.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.2
59.00992	0.7
59.01257	9.1
61.98704	28.0
65.13715	0.6
71.01252	7.8
71.04900	0.8
71.64629	0.6
73.02831	1.0
73.33173	0.7
80.02530	1.6
81.03328	1.9
83.01268	1.4
83.04895	5.6
83.51221	0.6
84.02060	1.1
85.02824	1.6
87.00773	1.5
89.02290	3.5
95.01252	0.8
95.04887	1.9
97.02832	2.5
99.00755	1.6
101.02319	7.7
102.77850	0.7
105.00347	0.6
109.06464	9.8
109.47477	0.6
110.03632	1.1
111.08051	8.2
113.02370	3.6
117.12144	0.6
119.03361	1.0
123.04403	2.1
125.02362	2.0
135.08043	2.2
137.09550	0.7
145.04913	0.8
146.73550	0.6
151.03882	0.9
161.04474	2.0
161.09613	0.8
162.55249	0.7
163.11179	8.1
165.12775	2.3
167.10710	2.3
171.10254	1.8
177.12732	1.8
179.05574	1.0
179.10732	2.6
179.14319	0.8
181.12256	1.2
189.09158	1.0
191.10696	1.1
195.13837	9.3
197.11815	1.4
207.10208	34.5
208.10573	1.4
209.11769	82.9
210.12099	5.0
211.13313	1.6
223.13329	2.9
225.11298	15.6
226.11591	1.0
227.12840	13.5
229.19724	0.7
235.08078	3.3
247.20616	1.7
253.09265	17.7
254.09607	1.6
273.18692	1.3
275.20142	2.7
291.19666	100.0
292.20020	10.3
293.21243	39.8
293.23892	0.6
294.21652	4.8
297.44284	0.7
349.71484	0.7
443.19586	1.5
461.20151	3.6
501.32120	0.8
527.28497	6.0
528.28979	1.6
674.64160	0.7
719.40338	1.2
737.41235	14.6
738.41333	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	738.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55778	0.1
59.01259	0.2
61.98705	100.0
62.98402	0.2
62.99139	0.1
71.01270	0.2
89.02304	0.1
101.02376	0.1
106.58138	0.1
116.43788	0.0
119.11034	0.1
125.02389	0.1
144.88878	0.1
152.80197	0.1
161.04507	0.0
209.11829	0.2
227.12895	0.2
253.09245	0.1
277.21860	0.1
278.22250	0.1
279.22363	0.1
293.21442	0.1
380.10153	0.1
385.04907	0.1
397.13910	0.1
398.13962	0.1
399.14084	0.1
400.14401	0.1
761.88318	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98923	0.1
59.01253	0.3
61.98703	100.0
62.98398	0.2
70.74249	0.2
71.01263	0.2
71.29070	0.1
89.02337	0.1
90.91493	0.1
101.02334	0.2
106.46523	0.1
109.84281	0.1
111.24668	0.1
146.18275	0.1
161.04459	0.1
195.13840	0.1
209.11765	2.1
227.12912	0.2
253.09319	0.2
275.20343	0.1
291.86163	0.1
293.21252	1.4
306.17270	0.1
316.87921	0.1
398.13922	0.2
436.81320	0.1
562.67926	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02144	0.2
57.03334	0.3
59.01252	0.5
61.98701	100.0
64.43858	0.2
71.01267	0.5
71.54260	0.2
75.00721	0.2
80.96402	0.5
88.98660	0.2
89.02297	0.2
96.95906	0.9
123.04436	0.5
125.02357	0.9
137.02362	0.3
145.02895	0.2
148.99107	0.2
149.27083	0.2
150.03169	0.3
154.84967	0.2
161.02419	0.2
163.74780	0.2
165.05434	0.2
190.02721	0.3
197.39879	0.2
209.11816	0.2
286.91211	0.2
289.07159	0.2
386.01938	0.2
491.22775	0.2
610.64221	0.2
616.93597	0.2
642.27423	0.2
738.31238	0.4
739.31171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56009	0.6
61.98701	4.8
63.02277	2.3
65.00185	3.7
71.11935	1.3
74.54786	0.5
75.07693	0.6
83.01254	3.4
93.03351	1.5
99.09867	0.5
101.95316	0.5
105.13303	0.5
107.01267	8.3
108.02070	2.1
109.02829	3.1
117.03361	6.7
119.01231	0.6
119.04913	12.1
121.02840	6.0
124.01546	0.8
125.02341	0.7
133.02872	2.0
135.00801	2.0
135.04411	1.4
139.03914	0.6
145.02856	21.4
148.01518	1.9
148.69484	0.6
151.00275	27.0
152.00717	0.7
153.05479	0.7
159.04417	2.0
161.02364	2.4
163.00261	4.0
163.03937	11.0
164.01099	0.9
169.01392	1.5
171.04385	1.5
178.99791	15.5
179.03302	0.8
182.03809	0.6
183.04413	1.4
187.03925	4.0
192.00626	0.7
198.03119	0.8
199.03935	3.6
201.01811	0.7
201.05540	1.2
205.04993	0.7
209.11998	0.6
211.03944	2.2
215.03441	2.5
220.82411	0.5
226.02672	2.4
227.03456	6.9
229.01308	0.6
229.04956	1.9
243.02960	14.6
244.03514	1.4
245.04504	2.0
254.02257	1.1
255.02957	35.4
256.03375	2.4
271.02475	76.8
272.02951	7.8
273.04007	2.0
275.09262	2.4
283.02505	2.9
284.03229	1.3
285.03958	3.1
299.01974	20.2
300.02740	100.0
301.03497	74.1
302.03851	5.2
429.08304	2.2
437.12344	2.6
444.31033	0.6
447.09351	2.7
453.12424	0.7
575.12189	2.6
593.13007	50.0
594.13385	7.6
739.16638	50.2
740.16998	10.3
759.77856	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41880	1.0
61.98705	13.8
63.02272	2.9
65.00201	6.0
69.42663	1.1
70.55444	3.3
77.24120	1.2
83.01250	2.7
85.06272	1.2
88.55309	1.4
93.03326	2.6
107.01260	9.5
108.02082	1.9
109.02828	5.0
117.03333	13.4
119.04925	19.4
121.02868	7.3
125.02312	1.3
130.04131	1.0
133.02855	11.3
134.03679	1.2
135.00854	1.7
135.04416	14.4
137.02379	2.2
145.02861	37.1
146.03246	2.0
148.01567	1.9
151.00282	25.8
159.04436	4.8
161.01076	1.8
161.02367	27.2
163.00327	6.2
163.03922	12.9
164.01016	2.2
169.01323	2.4
169.82507	1.4
169.84013	1.1
170.29024	1.6
171.04427	1.7
175.04047	1.5
178.02666	1.3
178.99785	13.2
179.03441	16.5
183.04442	2.6
187.03934	5.5
190.99904	1.4
199.03922	3.5
203.03479	3.8
209.04701	1.3
209.11790	1.7
211.03973	2.6
213.05524	1.6
215.03412	3.4
216.04222	1.0
226.02721	2.7
227.03416	12.2
228.04024	1.5
229.05040	5.1
243.02966	15.8
245.04486	2.9
254.02287	2.7
255.02977	44.1
256.03647	3.0
257.04486	2.7
271.02478	75.0
272.02975	7.2
273.04022	2.1
283.02402	6.8
284.03265	16.4
285.04053	39.0
286.04364	2.2
289.07001	1.5
299.01993	20.4
300.02744	100.0
301.03516	69.1
302.03882	4.3
307.08170	1.9
453.11752	9.1
454.12338	1.9
575.12036	5.1
577.13702	2.3
577.23181	1.3
593.13037	57.0
594.13202	5.8
739.16705	72.7
740.17224	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	739.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48339	0.5
61.98708	2.8
63.02274	2.2
65.00190	3.8
71.09218	0.9
71.46803	0.5
78.57211	0.5
83.01260	2.5
91.01785	0.6
93.03362	1.2
100.62408	0.5
102.50038	0.5
107.01277	7.9
108.02052	1.9
109.02851	2.8
117.03368	5.3
117.94073	0.4
119.04921	13.3
121.02840	5.0
123.04437	0.5
133.02838	1.1
135.00809	1.4
135.04510	0.7
145.02859	16.5
146.03200	0.5
147.04453	0.5
148.01605	2.0
149.02386	0.5
151.00284	25.7
155.04947	0.6
157.02953	0.6
159.04480	1.5
161.02345	1.4
163.00282	4.8
163.03943	8.8
164.01050	1.1
169.01326	1.4
171.04414	1.3
171.43005	0.5
173.02393	0.7
174.03279	0.6
175.03932	0.9
178.99792	13.2
179.03247	0.7
180.00220	0.5
183.04408	1.0
187.03868	2.9
190.99763	0.7
192.00636	0.6
193.01320	0.5
198.03258	0.6
199.03893	3.2
201.01852	0.8
201.05521	0.7
203.03497	0.9
205.52528	0.5
211.03976	2.3
213.01843	0.6
214.02727	0.8
215.03427	2.2
216.04243	0.9
217.04715	0.7
226.02615	2.5
227.03485	6.3
229.01338	0.6
229.04967	1.7
239.03432	0.8
243.02983	14.9
244.03529	1.4
245.04526	1.8
254.02150	2.8
255.02983	29.7
256.03415	2.9
271.02493	72.4
272.02914	7.8
273.04022	1.7
275.09235	2.2
283.02448	2.2
285.03967	1.1
298.98679	1.0
299.01993	17.2
300.02753	100.0
301.03500	74.1
302.03836	4.6
429.08151	2.5
437.12399	3.0
447.09128	3.4
575.12244	2.4
593.13037	51.7
594.13342	8.8
706.32776	0.5
739.16705	42.5
740.17017	11.5
760.50391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01688	0.9
56.72402	0.8
57.03310	2.7
59.01242	2.2
65.00195	1.5
65.50140	1.0
71.01244	1.2
71.07695	1.6
81.03330	2.1
83.01274	4.5
86.79547	0.7
89.03838	3.3
91.01750	0.9
93.03322	2.3
95.04932	1.7
97.02821	3.8
103.37552	0.9
105.03326	1.1
108.02074	1.3
109.02841	26.7
115.05479	1.0
117.03338	1.1
121.02826	3.1
123.04424	10.8
125.02333	14.6
133.02858	12.7
135.04401	2.4
137.02351	18.2
139.03922	2.6
145.02843	1.3
147.04367	1.0
149.02336	4.0
150.03114	3.6
151.03905	8.5
152.04282	1.0
157.06433	0.9
159.04391	2.9
160.01524	0.9
161.01060	1.7
161.02350	24.2
161.05989	3.2
162.03064	1.6
163.00279	1.7
164.01044	3.0
165.01781	3.3
167.03395	1.2
173.06023	1.1
175.03903	5.3
175.07483	0.9
176.01074	1.7
177.01854	100.0
178.02194	3.4
179.03331	4.5
187.03896	3.3
188.04613	2.7
189.01883	10.8
190.02475	1.3
191.03453	1.1
201.01865	1.1
201.05463	1.9
202.06291	1.1
202.36179	0.9
203.03410	3.9
203.07101	9.3
205.01398	1.9
205.05028	5.9
209.06099	1.0
215.03508	1.9
216.00641	3.5
217.01375	5.3
217.04866	1.1
221.08083	1.3
227.03516	6.2
227.07097	1.6
229.01320	6.1
230.05878	1.0
239.03355	1.2
241.04913	1.5
245.04413	3.1
245.08139	9.3
247.06023	2.1
253.05208	1.3
255.02992	1.6
255.06566	1.1
257.04547	1.1
269.04568	1.2
270.91129	0.9
271.02438	1.2
277.04953	1.4
281.04504	3.0
287.05658	12.6
289.07184	46.1
290.07538	3.9
293.04453	1.4
295.06116	1.8
297.03857	1.4
299.01968	1.9
299.05551	2.2
300.03082	1.3
307.02615	3.3
308.03046	1.6
321.04001	5.7
321.15536	3.6
322.15988	1.3
325.03442	2.7
329.06665	1.3
337.07144	1.6
339.05063	36.2
340.05374	3.4
341.06290	1.2
407.07507	1.3
409.09250	1.4
417.06033	4.0
431.07108	1.2
433.09164	2.9
435.07202	16.8
436.07278	1.1
449.08707	17.9
450.08948	1.9
451.10394	9.6
452.10620	1.8
459.07178	9.7
460.07587	2.5
467.39099	1.0
477.08090	3.4
525.13000	1.0
526.97943	1.0
569.10858	10.3
570.11169	1.3
587.12030	24.5
588.12177	3.0
629.12378	1.8
739.16675	20.8
740.17078	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.0
57.03323	1.3
58.00468	0.9
59.01251	100.0
60.01595	0.6
69.03333	2.3
71.01254	37.1
71.54951	1.0
72.05302	0.6
72.99197	1.7
73.02819	41.0
75.00760	0.6
78.54203	0.6
81.03351	1.0
83.01262	14.1
83.54975	0.7
85.02824	3.9
87.00758	0.7
89.02321	8.1
89.03857	1.2
93.03371	0.7
95.01282	1.9
95.04917	0.6
97.02856	2.8
101.02325	43.0
104.04131	0.7
108.02048	0.8
109.02847	11.1
110.03185	0.6
113.02335	14.1
119.03370	5.1
121.02877	0.9
123.04425	4.2
125.02331	8.5
131.03415	4.6
133.02872	3.9
135.04402	1.4
137.02344	7.8
139.03893	1.4
142.06506	1.7
143.03401	5.4
149.02388	1.5
149.04440	6.6
150.03166	1.1
151.03920	3.7
155.03471	1.4
159.04451	0.9
159.84471	0.6
161.02391	9.6
161.04471	11.4
161.05844	1.1
163.03925	0.9
165.01866	1.9
175.03958	2.0
177.01866	42.9
178.02260	1.6
179.03448	1.7
186.05522	1.5
187.03972	1.6
187.05797	1.0
188.04765	1.3
189.01895	4.3
201.01944	0.9
201.05569	1.4
203.03612	1.2
203.05547	1.5
203.07220	2.9
204.06628	1.6
205.01355	1.0
205.05046	2.0
215.03568	0.9
216.00653	1.4
217.01367	2.0
221.06506	3.2
227.03467	2.2
227.07086	0.7
229.01427	2.1
239.03625	1.0
243.03128	0.7
245.04568	1.8
245.08015	3.7
246.07823	0.8
255.03018	1.3
255.06544	0.8
256.03723	0.7
261.43378	0.6
271.02618	1.2
281.04541	1.8
287.05551	2.9
289.07205	15.7
290.07611	1.2
300.02875	1.8
301.03525	2.2
302.04001	1.2
321.04227	2.4
325.03577	1.6
337.07581	0.7
339.05057	9.6
407.07761	0.9
417.06155	2.0
433.09323	1.3
435.07135	4.3
436.07373	1.0
447.09274	1.4
448.09778	1.7
449.08743	5.1
450.09360	0.8
451.10617	2.3
459.07050	3.6
477.08395	0.7
569.11157	3.7
587.11987	8.9
588.12378	1.6
629.13586	0.9
739.16711	4.9
740.16724	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	739.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63929	0.2
59.01238	0.6
60.20069	0.2
61.98698	0.9
63.01770	0.2
63.02260	0.4
65.00201	0.6
69.26208	1.2
69.26634	0.7
83.01252	0.5
88.30937	0.2
91.01788	0.3
93.03332	1.3
97.27740	0.2
107.01315	1.2
109.02832	0.8
117.03341	0.8
119.01202	0.2
119.04920	9.0
120.05269	0.2
121.02898	0.3
123.04392	0.5
125.02376	0.5
131.04929	0.3
132.02151	0.3
135.00797	0.8
137.02339	0.4
141.06960	0.4
143.04947	0.4
145.02844	1.3
151.00253	1.9
153.01881	0.4
154.04214	0.3
155.04988	0.4
159.04477	1.1
161.02301	0.5
161.05960	0.3
163.00310	1.4
163.03923	3.9
164.01118	0.3
165.01845	0.4
165.05472	0.2
167.04950	0.6
169.01343	0.5
169.06500	0.5
171.04425	0.8
173.06012	0.3
182.03635	0.5
183.04436	2.0
185.02460	0.3
185.05989	1.5
187.03949	2.5
189.05476	0.6
195.04544	0.6
197.06006	0.9
199.03918	0.9
201.05476	0.5
204.06102	0.2
211.03975	1.9
213.05443	1.5
215.03528	0.5
223.03931	0.3
227.03477	14.3
228.03911	1.2
229.05032	7.9
230.05388	0.4
239.03476	0.9
240.04350	0.4
241.05016	1.3
243.02963	0.4
255.02977	25.9
256.03534	2.8
257.04523	4.6
258.04883	0.5
263.94049	0.3
267.02951	0.7
268.03802	0.2
269.04544	0.4
281.04630	0.3
283.02490	11.2
284.03241	15.6
285.04037	100.0
286.04413	8.9
327.05167	1.0
413.08716	3.5
414.08987	0.3
423.14386	0.2
431.09717	1.2
447.09305	1.8
577.13513	35.5
578.13818	6.7
619.14435	0.3
739.18768	4.8
739.31104	0.3
740.19086	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	739.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.3
59.01263	0.6
61.98700	1.9
63.02282	0.8
65.00184	0.7
67.57343	0.3
70.56596	0.4
70.56944	0.6
73.02824	0.3
73.18737	0.3
79.64685	0.3
83.01260	0.7
88.98679	0.5
91.01794	0.4
93.03339	1.6
96.95921	0.6
104.68658	0.3
107.01262	2.1
109.02852	1.2
111.00788	0.4
113.02385	0.3
117.03345	1.7
119.04909	3.9
123.00767	0.4
123.04398	0.7
125.02350	1.2
134.03636	0.3
135.00795	1.1
137.02354	0.7
142.44263	0.3
143.04953	0.6
145.02864	5.8
149.02327	0.5
151.00270	2.3
151.03973	0.5
153.01846	0.8
157.06503	0.7
159.04469	1.3
161.02382	0.9
163.00278	2.3
163.03900	3.3
164.01060	0.4
165.01915	0.7
167.04918	0.7
169.01364	0.4
169.06551	1.0
171.04439	0.8
173.05992	0.4
175.03838	0.5
183.04428	0.7
185.02364	0.4
185.06000	2.4
187.03938	2.9
189.05519	1.1
191.07123	0.3
195.04442	0.4
197.06061	1.0
199.03899	1.2
201.05490	0.7
211.03938	2.3
213.05511	2.1
214.02727	0.4
215.03488	0.5
227.03459	15.4
228.03850	1.2
229.05013	10.9
230.05351	0.9
239.03503	1.7
240.04108	1.1
241.04913	1.6
243.02956	0.4
255.02972	24.8
256.03595	3.7
257.04529	6.8
258.04828	0.4
267.02936	1.1
269.04807	0.3
283.02426	1.6
284.03262	26.1
285.04028	100.0
286.04382	8.0
289.07108	0.6
291.08560	0.7
293.09814	0.3
327.05063	1.9
413.08817	0.6
447.09128	1.1
526.94055	0.3
577.13525	51.4
578.13904	9.2
619.14941	1.4
620.15405	0.4
739.18610	9.7
739.31720	0.6
740.19122	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	739.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66358	0.3
59.01232	0.3
60.88640	0.3
61.98699	0.9
63.02268	0.5
65.00204	0.8
71.11522	0.4
71.11869	0.7
79.34351	0.3
83.01264	0.9
89.02303	0.3
93.03355	1.6
107.01273	1.8
109.02802	0.6
117.03353	1.1
119.04920	14.2
120.05238	0.5
125.02295	0.7
131.04936	0.6
132.02097	0.5
135.00771	0.7
137.02330	0.5
143.04938	0.5
143.58923	0.3
145.02834	1.4
151.00269	2.0
155.04950	0.5
157.06471	0.4
159.04404	1.3
163.00273	1.8
163.03928	5.3
164.01192	0.4
167.04915	0.8
169.06483	0.6
171.04454	0.8
174.02792	0.4
182.03679	0.5
183.04414	2.3
184.05243	0.5
185.06007	2.4
187.03961	2.8
189.05499	1.0
195.04529	0.4
197.06055	1.0
199.03981	0.9
201.05389	0.5
211.03966	2.5
212.04510	0.5
213.05505	1.8
227.03461	15.6
228.03899	1.2
229.05025	9.5
230.05331	0.6
239.03438	1.5
240.04198	0.5
241.04994	1.3
255.02983	30.8
256.03479	2.6
257.04507	5.0
258.04849	0.7
267.02994	0.8
283.02509	14.2
284.03259	17.8
285.04044	100.0
286.04388	8.0
309.04227	0.5
327.05087	1.9
330.73376	0.4
413.08786	4.4
414.09476	0.5
431.09720	1.1
447.09457	1.4
559.89752	0.4
577.13525	37.9
578.13885	6.5
619.13934	0.6
739.18677	11.6
740.19080	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	739.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59879	0.9
56.68684	0.8
59.01254	100.0
60.01577	1.2
69.82053	5.0
71.01258	25.2
72.99194	1.7
73.02824	42.0
73.13024	0.9
83.01263	14.2
85.02834	3.7
88.32347	1.0
88.58083	0.9
89.02328	7.6
95.01251	1.6
101.02330	41.4
109.02845	3.9
113.02335	14.7
115.87218	1.1
119.03380	5.4
123.04430	1.4
125.02351	3.4
131.03406	4.2
133.02841	2.2
134.51146	0.8
137.02391	1.8
143.03403	5.9
149.04480	9.1
155.03419	1.9
161.02338	3.3
161.04480	16.3
165.87445	0.9
177.01886	11.0
189.01805	1.0
191.05630	1.2
203.05583	1.6
221.06596	2.2
241.45528	1.0
289.07196	6.3
301.03235	1.1
311.56900	1.2
321.49292	1.0
339.05078	4.0
370.41953	0.9
435.07333	1.6
449.08789	3.3
451.10284	1.4
569.10333	1.2
587.12061	3.6
739.17212	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	739.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
57.03337	1.3
58.00475	0.8
59.01251	100.0
60.01586	1.5
69.03344	1.8
71.01254	35.1
71.54658	1.1
72.01575	1.0
72.99184	2.0
73.02818	40.2
75.00739	0.9
81.03349	1.3
83.01260	13.2
85.02834	4.1
87.00795	0.9
89.02316	9.2
93.03362	0.8
95.01279	2.0
95.04909	0.7
97.02844	1.4
101.02325	38.8
102.02674	1.2
108.02102	0.7
109.02849	6.7
113.02335	15.0
119.03389	5.4
123.04424	2.9
125.02330	6.4
131.03394	3.9
133.02861	3.9
135.04440	1.1
137.02350	6.0
139.03893	0.9
142.06599	2.0
143.03368	4.1
147.02951	0.7
149.02448	1.4
149.04451	9.0
150.03166	1.1
151.00307	0.7
151.03914	4.0
155.03430	1.7
159.04477	1.1
161.02399	8.4
161.04454	14.1
161.05824	0.9
162.04771	0.7
164.01175	0.6
169.01360	0.6
169.10896	0.7
175.03908	1.1
176.01207	0.9
177.01849	26.1
178.02235	2.2
179.05617	0.8
188.04761	0.7
189.01913	2.5
191.03461	0.7
201.01932	0.7
203.03644	1.2
203.05531	1.5
203.07111	2.7
205.05016	1.6
216.00687	0.7
217.01382	1.0
221.06520	3.4
227.03525	1.9
229.01318	1.7
245.04572	0.8
245.08179	2.1
265.04953	0.8
271.02682	1.0
271.14902	0.6
281.07846	0.7
287.05701	2.7
289.07214	11.9
290.07474	1.5
294.80457	0.6
300.02853	0.9
301.03424	1.2
307.02744	0.8
321.04141	1.3
325.03424	1.2
326.21448	0.7
339.05142	8.0
340.05554	1.2
417.06400	0.8
433.09546	0.8
435.07324	3.0
447.09604	1.7
448.09750	1.8
449.08737	4.4
450.09085	1.1
451.10294	3.4
459.07251	2.4
568.12720	0.7
569.10925	2.4
587.12201	6.9
588.12482	1.9
588.92242	0.8
629.13202	0.8
739.16547	4.9
740.17157	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	739.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39773	0.5
57.03309	0.6
59.01254	4.8
61.98705	100.0
62.98417	0.9
63.99130	1.4
64.16637	0.5
71.01253	3.6
80.02569	0.7
81.03340	1.1
83.04903	3.3
84.02045	0.5
85.02831	0.6
87.00698	0.6
89.02335	2.2
92.41718	0.5
94.41996	0.5
95.04929	0.5
96.95903	1.0
98.20544	1.5
101.02328	3.2
109.06455	0.7
111.08136	0.4
113.02356	1.4
125.02357	0.9
127.07668	0.5
135.88605	0.4
145.04982	0.5
161.04466	1.6
163.11208	2.6
165.12758	1.5
169.12312	0.7
179.05446	0.5
181.12221	0.8
183.13850	2.6
185.47266	0.5
191.10736	0.9
195.13835	1.8
197.11685	0.5
199.13306	3.5
202.88980	0.5
209.11772	85.2
210.12117	5.3
211.13368	6.0
223.13358	1.0
227.12845	20.8
228.13196	1.2
229.14560	0.5
235.08173	3.0
235.17001	6.7
253.09267	12.8
254.09654	0.7
275.20151	12.2
276.20520	1.8
277.21567	0.6
289.07318	0.8
291.19220	0.5
293.21231	50.1
294.21548	4.5
309.20691	0.7
333.12521	0.6
344.11646	0.6
445.20544	1.2
463.22043	2.4
485.32263	0.7
504.20554	0.6
666.28064	0.6
739.42358	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	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.8
57.03323	1.2
58.00449	0.8
59.01255	7.1
61.26748	0.7
61.98717	1.0
66.96976	0.8
69.03326	1.0
70.91950	2.1
71.01248	9.5
71.04884	1.3
73.02814	2.7
83.01245	0.8
83.04901	1.9
83.53778	0.8
85.02819	1.6
87.00733	1.7
89.02310	3.1
97.02848	3.4
97.06466	2.3
99.00759	12.0
101.02323	5.4
102.97932	0.9
109.06477	1.8
111.08029	0.8
113.02336	2.8
119.03391	1.1
123.08076	1.1
125.02310	1.2
125.09610	7.4
127.11129	1.7
135.08095	1.0
136.05200	1.0
142.02547	1.0
143.03380	1.5
145.04970	0.8
161.04393	2.3
163.11186	7.9
171.10188	15.0
181.12236	11.1
189.09119	1.1
199.13350	12.2
201.11330	4.8
201.17033	0.8
207.10193	28.7
208.10596	1.6
209.11693	1.4
211.13271	1.6
225.11275	50.6
226.11563	3.6
227.12769	2.3
233.93637	1.0
235.08250	4.1
243.12358	9.0
253.09267	6.6
261.26477	0.9
275.19977	1.2
277.21719	88.4
278.21960	8.2
291.19653	2.5
293.21304	5.0
381.56018	0.9
443.19113	1.5
461.20135	8.2
462.20743	0.9
479.21127	1.6
513.30786	0.9
565.79474	0.9
721.41498	6.3
722.41949	1.9
739.42737	100.0
740.42944	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	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.2
56.82591	0.1
57.03328	0.3
59.01248	2.9
61.98701	9.4
69.23704	1.3
71.01253	2.2
73.02817	0.3
80.02538	0.9
81.03323	0.9
82.22592	0.1
83.01257	0.3
83.04897	4.2
84.02058	0.8
85.02809	0.6
86.67526	0.1
87.00755	0.5
89.02309	1.6
95.01275	0.2
95.04897	0.6
97.02821	0.3
97.06499	0.2
101.01703	0.2
101.02332	2.4
109.02876	0.2
109.06511	0.3
111.08031	0.2
112.84849	0.2
113.02331	1.0
113.09537	0.2
116.70216	0.2
119.03381	0.5
125.02316	0.2
125.05956	0.5
135.08049	0.7
143.03355	0.2
145.04910	0.4
147.11736	0.3
161.04471	1.0
163.11195	3.5
165.12741	2.2
169.12157	0.1
171.10120	0.2
179.05490	0.2
179.14375	0.3
181.12254	0.7
183.13792	0.5
191.10718	1.0
195.13837	3.0
196.14436	0.3
199.13229	0.3
205.12251	0.2
209.11771	100.0
210.12109	6.0
211.13359	0.6
223.13318	2.4
227.12837	10.7
228.13286	0.9
231.21274	0.2
235.06061	0.3
235.08199	2.6
253.09273	10.3
254.09572	0.5
256.13116	0.4
275.20163	3.0
276.20734	0.2
293.21225	39.0
294.21524	3.7
421.64545	0.2
445.20789	1.2
463.21893	0.2
485.32742	0.2
494.20218	0.2
529.29968	0.2
626.39471	0.2
670.35852	0.2
681.59631	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.5
57.42192	0.4
59.01249	4.9
61.98710	1.2
69.23446	1.0
69.23870	1.9
71.01250	3.5
73.02842	0.7
80.02558	0.7
81.03331	1.1
83.04900	4.0
84.02027	0.9
85.02834	1.1
89.02315	2.7
95.04910	0.9
97.06449	0.4
100.30703	0.3
101.02326	3.5
109.06499	0.5
111.08054	0.7
113.02364	1.7
119.03418	0.6
125.05971	0.4
134.35614	0.3
161.04474	1.8
163.11208	4.2
165.12813	1.5
171.10182	0.8
179.05557	0.7
179.14308	0.8
181.12297	0.4
191.10732	0.9
195.13855	7.4
196.14420	0.7
205.12291	0.7
209.11781	100.0
210.12126	5.8
210.69249	0.4
211.13365	1.1
223.13364	4.6
224.13794	0.5
227.12842	12.2
228.13411	1.3
231.21198	0.4
235.08070	1.7
253.09261	16.9
254.09532	0.6
256.13162	1.3
269.43689	0.3
275.20184	7.6
276.20493	0.7
293.21228	93.9
294.21567	8.0
419.68228	0.3
445.20938	0.8
492.22531	0.5
613.84796	0.3
670.36499	0.5
740.25659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13114	1.0
57.03327	1.4
59.01256	10.2
60.81773	1.2
61.98703	7.4
65.91889	0.9
69.03302	1.4
71.01251	11.5
71.04910	1.9
71.43312	1.1
73.02810	3.0
78.95750	1.8
83.01220	1.4
83.04895	1.3
85.02826	1.7
89.02306	4.9
95.08537	1.0
96.95886	4.0
97.02814	4.7
99.00745	13.0
101.02314	6.6
104.28548	1.0
104.29340	1.0
109.06449	1.8
113.02299	2.5
119.03375	1.6
125.02316	1.4
125.09588	4.1
127.11194	1.6
137.52335	1.1
142.02638	1.6
152.99509	1.2
153.12662	1.3
159.34351	1.0
161.04500	1.8
163.11197	8.1
169.12288	1.4
171.10181	30.7
172.10446	1.2
179.10681	1.7
181.12253	14.4
182.12636	1.9
185.11752	2.3
197.11877	1.3
199.13342	30.1
200.13710	2.4
201.11305	5.2
207.10211	33.5
208.10564	2.8
209.11769	3.8
211.13359	8.9
216.90778	1.1
225.11285	68.3
226.11638	3.5
227.12856	11.5
235.08211	3.8
243.12370	13.0
244.56003	1.1
253.09285	9.0
254.09236	1.1
277.21725	67.5
278.22095	7.8
291.19608	4.0
293.21231	8.5
353.51160	1.0
443.19296	1.6
461.20209	12.1
462.20465	1.5
463.21725	3.0
479.21420	3.5
721.41638	5.9
739.42737	100.0
740.43005	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	740.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.3
61.98704	100.0
62.98411	0.2
71.01260	0.2
71.46680	0.1
89.02309	0.2
90.59533	0.1
94.91286	0.1
101.02354	0.2
110.21065	0.1
113.02329	0.1
132.31004	0.1
158.13406	0.1
161.42360	0.1
181.75429	0.1
183.13852	0.1
195.13893	0.2
197.11856	0.2
199.13390	0.2
209.11792	1.3
210.12099	0.1
211.13345	1.5
212.13702	0.6
227.12811	0.5
228.13190	0.1
235.08450	0.2
253.09247	0.4
277.21783	0.3
280.23666	0.1
291.19730	0.1
293.21277	0.5
294.21494	0.2
295.22769	1.4
309.20743	0.4
310.21130	0.3
380.34399	0.1
397.13638	0.1
399.13748	0.1
400.14587	0.1
431.31366	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66353	0.3
59.01252	0.8
61.98706	100.0
64.27771	0.2
64.53966	0.2
71.01275	0.7
71.54058	0.4
76.07319	0.2
81.03348	0.2
81.20752	0.2
83.04921	0.5
89.02324	0.7
97.06496	0.2
98.26145	0.3
101.02271	0.6
106.47499	0.2
113.02339	0.3
121.02913	0.3
125.02422	0.4
161.04445	0.3
163.11209	0.4
175.90778	0.3
183.13889	0.8
195.13976	0.4
196.14255	0.2
197.11748	0.2
205.01352	0.2
209.11790	8.5
210.12158	4.1
211.13390	1.8
212.13782	0.7
223.13367	0.6
227.12802	1.3
228.13286	0.6
235.08284	0.5
239.84282	0.3
253.09247	1.3
254.09557	0.2
275.20132	0.5
276.20776	0.3
277.21692	0.4
280.23651	0.3
293.21231	5.1
294.21585	4.0
398.39148	0.2
399.14435	0.3
541.16748	0.3
742.57373	0.2
744.94580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.4
61.98705	100.0
62.98418	0.2
67.54240	0.1
68.02286	0.1
68.96427	0.1
68.99665	0.1
69.53855	0.6
81.03343	0.2
82.88685	0.1
83.04916	0.4
84.05238	0.1
109.02863	0.1
123.04484	0.2
125.02357	0.1
129.08362	0.1
130.22447	0.1
151.03874	0.1
152.05630	0.1
171.43103	0.1
177.01808	0.1
214.98949	0.1
226.16446	0.1
273.04379	0.1
362.17722	0.1
453.33563	0.1
469.56567	0.1
678.50500	0.3
679.50378	1.4
680.50610	2.7
680.62488	0.2
681.51428	0.2
740.49078	1.1
741.50104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.2
61.98705	6.6
63.02261	1.0
65.00175	0.4
66.29201	0.3
69.18130	3.6
69.18484	0.7
71.01256	1.8
71.54351	0.3
72.99178	0.3
73.02804	0.7
78.95773	0.4
83.01263	0.6
85.02831	0.6
88.98688	1.3
89.02309	0.7
93.03358	2.6
95.01212	0.4
96.95897	1.0
97.02784	0.5
98.20571	0.8
101.02330	0.8
102.78015	0.4
107.01291	1.8
109.02858	1.3
116.92738	0.7
117.03319	0.5
119.01267	0.5
119.04916	11.1
120.05270	0.4
123.04420	1.4
124.01592	0.4
125.02350	1.1
125.21169	0.4
130.04178	0.7
131.04997	0.4
132.02090	0.9
133.02866	0.8
134.03532	0.4
135.00777	0.9
135.04318	0.5
137.02325	0.9
143.04945	1.7
145.02852	3.0
149.02376	0.9
149.06023	0.4
150.03128	0.9
151.00285	2.4
151.03946	0.7
152.99432	0.6
153.01823	1.0
157.06500	0.6
159.04433	1.6
160.01529	0.5
161.02379	0.8
161.04448	0.5
161.05818	0.5
163.00285	2.6
163.03931	3.8
164.00996	0.6
164.04668	0.7
165.01826	1.4
165.05536	0.4
167.04886	0.4
169.01410	0.7
169.06494	0.7
171.04358	0.7
173.05927	0.5
175.02408	0.6
175.03874	0.8
183.04536	0.4
185.06036	2.8
187.03934	3.1
189.05492	1.0
190.02654	1.2
193.04910	0.5
195.04396	0.6
197.06024	1.1
198.03067	0.4
199.04036	0.7
201.05502	1.3
205.04996	1.0
209.11893	0.6
210.06923	0.4
211.03934	2.6
211.07570	4.5
212.04640	0.6
212.07899	0.6
213.05499	2.2
215.03372	0.5
223.05840	0.6
223.07790	0.8
227.03461	15.4
228.03879	1.4
229.05019	12.2
230.05345	0.9
233.08417	0.5
235.07872	0.4
237.09171	0.5
239.03322	1.6
240.04179	0.5
241.04994	1.7
255.02980	24.5
256.03592	3.6
257.04553	6.5
265.08691	1.1
267.02966	1.1
277.21655	0.6
283.02341	0.7
283.99942	0.8
284.03278	34.4
285.04034	100.0
286.04391	7.1
289.07297	0.7
309.07684	0.7
333.04367	0.4
343.11908	0.4
355.11688	0.6
375.27374	0.4
383.11395	0.6
431.09833	39.2
432.10153	5.3
529.09839	1.5
535.31274	0.9
577.04382	0.4
577.13446	12.5
578.13623	3.0
591.15405	1.0
697.19238	9.6
698.19171	2.1
741.18311	14.1
741.32843	1.4
742.18561	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	741.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73359	0.8
55.85200	0.9
57.64513	0.8
59.01237	3.4
61.98705	13.8
63.02256	1.7
64.65887	0.9
65.00201	2.1
71.54260	1.0
71.54659	1.0
78.95779	2.1
83.01257	2.2
85.02825	1.2
88.22608	1.0
88.98656	1.8
93.03335	3.3
95.01265	0.9
96.95856	1.8
101.02322	1.3
107.01276	5.2
116.92733	1.2
117.03354	12.9
118.08775	0.9
119.04922	14.0
120.05264	1.0
121.02850	32.4
122.03166	1.2
123.04408	3.2
124.01556	0.8
125.02333	2.5
132.02090	1.7
133.02779	0.9
135.00758	2.4
135.04433	1.0
137.02348	1.9
143.04903	1.0
145.02858	38.5
146.03186	1.6
150.03087	0.9
151.00266	7.8
151.03865	1.4
152.99466	3.0
159.04440	3.1
163.00287	3.8
163.03928	13.0
164.01054	2.0
165.01834	1.8
169.01326	1.5
169.06502	1.8
171.04269	0.9
175.00255	0.9
181.04933	2.7
183.04411	3.0
185.06050	3.1
187.03944	5.6
200.77084	0.9
201.05504	1.0
208.02783	0.9
211.03922	3.8
213.05501	3.3
227.03436	38.8
228.03853	2.6
229.05013	9.7
239.03482	1.2
241.04987	2.0
253.21703	2.1
255.02971	85.1
256.03506	9.1
257.04572	8.5
267.02866	1.6
268.03741	0.9
271.02414	1.6
272.02847	1.2
273.02972	1.0
273.07639	1.1
274.08151	1.0
275.09256	1.9
277.21750	3.9
283.02469	17.5
284.03265	86.6
285.04022	100.0
286.04337	8.1
289.07202	1.2
300.02762	2.2
301.03186	1.2
302.03494	1.4
387.87918	1.0
395.07477	1.4
413.08698	2.6
437.12442	14.6
438.12555	1.6
455.13184	1.4
473.11411	1.1
505.25861	6.7
559.12537	12.5
577.13409	8.5
578.14099	1.4
595.13501	1.4
619.14539	32.0
620.14825	5.6
723.17114	21.2
724.17859	6.2
741.18207	22.6
741.29846	0.8
741.46906	2.0
742.18030	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	741.1898
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
56.46680	0.4
59.01260	0.7
65.00210	1.1
67.35023	0.4
71.01284	0.5
71.53984	0.5
83.01272	1.1
85.02839	0.6
91.22966	0.4
107.01302	1.8
108.02064	1.8
109.02878	1.0
110.03192	0.5
110.46686	0.4
120.19162	0.4
121.02894	1.0
123.04400	0.5
125.02367	2.4
135.00797	0.9
135.04286	0.4
137.02284	0.6
145.32802	0.4
148.01614	1.6
149.02405	0.5
151.00301	5.6
152.13264	0.4
153.01854	0.5
159.04494	0.4
161.02327	1.0
163.00333	1.3
164.01134	0.8
170.01619	0.4
177.01848	1.5
178.02232	0.7
178.99805	5.3
183.04518	0.5
191.05464	0.5
198.75812	0.5
199.03955	0.9
211.03963	0.5
215.03546	0.8
226.02699	1.7
227.03413	2.9
243.02979	11.0
243.05365	0.8
244.03401	1.2
254.02257	2.1
255.02985	27.3
256.03345	2.4
271.02499	59.2
272.02942	6.2
285.04037	0.6
289.07220	1.0
299.02054	2.9
300.02759	100.0
301.03311	13.1
302.03763	0.5
451.09360	0.5
477.14716	0.5
589.12317	0.5
660.65790	0.5
741.18835	68.8
742.19171	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	741.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.4
59.01265	7.5
59.12154	1.3
61.98708	13.4
69.29089	9.5
69.29490	3.0
70.08726	1.5
71.01254	4.4
72.99181	1.6
73.02817	1.5
76.78023	1.3
83.04913	2.7
89.02326	4.0
101.02341	2.4
113.02274	2.1
119.03400	2.9
121.02780	1.7
125.02341	1.9
125.32502	1.3
127.35349	1.4
134.03638	1.5
137.02309	2.0
145.62437	1.3
149.02367	4.8
161.02380	1.7
161.04538	2.3
163.03918	1.8
163.11247	2.4
164.04706	3.1
171.10214	1.7
175.00285	4.5
176.01068	2.2
190.02635	11.1
191.03467	2.0
205.04996	6.5
206.05505	1.6
209.11784	100.0
210.12088	5.7
223.06091	1.9
227.12849	25.2
228.13120	1.8
235.08228	2.6
253.09196	6.5
283.02435	1.6
285.04187	4.3
336.12952	1.5
355.24844	2.9
373.25970	7.1
445.20721	11.6
463.21982	2.3
504.53528	1.7
535.31311	21.9
536.31305	2.0
595.17627	1.7
715.68976	1.5
741.35944	34.8
742.36102	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	741.407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81498	2.1
57.03309	3.6
59.01244	10.1
61.98708	9.9
71.01273	9.9
71.53635	3.0
78.48349	1.9
78.95756	6.0
81.03354	2.1
83.04926	2.7
85.02802	3.2
87.00717	2.3
89.02326	3.0
94.17655	2.0
97.06480	5.0
101.02285	2.8
103.68420	2.0
113.02306	2.6
125.02338	4.9
151.11214	17.2
152.99516	12.7
163.82881	1.8
169.12283	80.6
170.12598	4.9
193.44310	2.2
195.10179	2.1
197.11823	22.1
199.13252	3.5
209.11736	7.9
211.13400	3.6
213.11290	10.5
227.12772	3.2
230.83293	2.2
246.06004	2.1
253.09207	6.4
253.21654	3.7
255.23224	2.5
259.31348	2.2
262.70398	2.3
276.92523	2.7
277.21713	16.7
291.19583	7.5
309.20578	8.4
385.38120	2.2
431.19144	5.1
436.94330	2.2
449.19983	6.2
505.25742	16.0
741.40381	100.0
742.40723	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	741.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68756	0.5
59.01251	4.1
61.98705	100.0
62.98411	1.3
63.99129	0.9
66.16686	0.5
71.01266	2.8
71.20624	0.7
78.95763	1.3
80.02565	0.7
83.01266	0.6
83.04893	3.9
85.02835	0.5
89.02338	1.9
95.04926	0.6
101.02357	1.9
107.86654	0.5
111.35724	0.5
112.47003	0.5
112.92030	0.5
113.02322	1.5
113.09622	1.0
116.92747	1.0
119.03383	0.6
125.02352	0.7
152.99500	2.4
161.04477	1.3
163.11162	1.3
165.12807	1.6
181.12213	0.8
195.13823	11.1
197.11818	0.6
198.86354	0.5
199.13313	0.8
205.61848	0.5
209.11781	71.4
210.12183	5.6
211.13516	2.5
212.13658	2.0
227.12845	8.5
228.13197	1.6
235.08253	1.4
253.09282	14.7
253.21829	1.5
254.09650	1.2
255.59984	0.5
277.21747	14.8
278.22049	1.3
291.19440	0.7
293.21042	0.8
295.22791	86.2
296.23138	10.3
309.20667	1.0
487.34125	0.9
505.25885	4.2
741.46259	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.3
61.98691	3.3
69.95403	3.6
70.81900	1.0
71.01244	6.0
73.02822	2.1
74.52400	0.9
78.95782	3.1
80.02555	1.4
83.04894	2.7
85.02820	1.8
89.02321	3.0
101.02316	4.5
113.02353	2.6
125.09589	2.2
127.11126	2.3
152.99457	2.0
161.04478	1.9
163.11206	2.9
165.12741	1.1
171.10141	3.3
172.10544	1.7
179.05461	1.0
199.09644	1.5
201.11263	40.9
202.11554	2.8
206.00993	1.0
207.10065	1.7
209.11775	83.5
210.12051	5.1
225.11307	2.4
227.12843	10.2
235.08177	5.8
253.09297	15.5
253.21713	1.7
277.21729	100.0
278.22070	14.3
279.22546	1.7
362.30771	1.2
370.46155	1.2
505.25516	5.3
585.73090	1.4
741.46545	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	741.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61344	0.3
59.01247	3.6
61.98699	1.5
62.96273	0.2
67.31927	0.2
70.04113	0.7
71.01243	0.4
78.95776	35.7
80.96407	0.6
85.76362	0.3
93.08855	0.2
96.96842	4.0
97.16296	0.2
103.37946	0.2
104.05197	0.2
134.98427	0.6
141.01601	1.6
150.97934	0.8
152.99493	45.3
153.99852	0.9
171.00555	4.4
209.11711	0.3
227.03258	5.9
231.21123	0.7
232.97551	0.9
233.22711	0.4
245.04312	1.3
253.21715	29.5
254.22049	2.7
255.23288	5.3
259.20572	0.5
275.20068	1.8
277.21719	80.7
278.22083	7.6
279.23300	0.5
410.73999	0.3
413.20956	2.6
414.21359	0.4
431.21857	0.4
463.24628	1.0
474.77896	0.3
483.27292	5.1
484.27661	0.6
487.24695	1.2
488.25287	0.4
505.25732	100.0
506.26068	14.4
506.33810	0.6
741.47186	24.8
742.47559	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	742.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.2
60.99187	0.5
61.98706	100.0
69.52377	0.3
69.52778	0.6
72.01590	0.1
78.95847	0.1
87.00763	0.3
88.00300	0.4
88.98690	2.7
89.02340	0.4
131.97250	0.1
171.10237	0.3
201.11295	0.5
204.37135	0.1
208.51950	0.1
209.11801	1.1
210.12102	0.3
235.68404	0.1
247.26659	0.1
253.09224	0.2
277.21713	0.8
278.22202	0.6
298.34460	0.1
300.09967	0.2
399.14114	0.2
498.71109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.5
58.04338	0.4
59.01251	100.0
60.01590	1.1
61.98703	17.7
67.45552	0.4
70.13790	0.4
71.01243	1.8
71.55012	0.5
75.27041	0.4
78.95742	0.5
83.01266	0.7
85.02846	0.5
88.98689	1.5
89.02337	1.0
93.03326	0.7
96.95898	0.5
97.02805	0.4
101.02326	0.8
103.03154	0.4
109.02848	0.9
113.02348	0.7
119.03405	0.3
121.02856	2.5
122.03648	1.4
123.04393	1.3
124.01631	0.4
125.02362	2.0
132.02112	1.2
133.02788	0.6
134.03636	1.9
135.04465	0.7
136.01537	0.6
137.02361	1.4
137.65829	0.4
145.02888	0.6
147.04510	0.4
149.02335	2.7
150.03127	6.5
151.03862	1.1
153.05479	0.5
160.01573	5.0
161.02327	0.8
161.04564	0.5
164.04756	1.1
165.01788	0.8
165.05499	7.3
167.03368	0.5
175.00212	0.4
175.03940	6.1
177.01883	1.0
179.03531	0.4
180.04272	0.7
181.05034	1.0
181.12543	0.3
190.02695	0.9
193.05054	1.4
195.06569	3.2
196.06865	0.4
205.05013	0.8
206.05960	0.4
209.11751	0.9
225.07602	0.6
233.08568	0.4
250.88911	0.3
255.10362	0.7
269.08139	4.3
270.08743	0.6
281.07953	0.5
282.09052	0.5
283.09698	1.7
289.07278	1.2
299.09320	3.0
300.09653	0.4
311.09247	5.1
312.09683	0.5
314.11569	7.7
315.12018	0.8
325.10767	0.6
326.11478	3.9
327.12109	0.4
329.13931	22.4
330.14301	2.5
341.10330	0.8
341.13925	14.0
342.14236	1.6
343.11835	0.3
407.08047	0.7
549.27185	6.4
550.27863	0.8
745.26086	0.7
745.38928	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30142	0.5
57.03312	1.0
59.01252	100.0
59.68808	0.5
60.01584	1.5
60.99176	0.6
61.15263	0.5
61.98705	38.0
71.01266	2.5
71.55004	0.5
73.02834	0.8
75.00788	0.7
83.01269	0.7
85.02841	1.2
88.98695	2.5
89.02333	1.2
92.53059	0.6
93.03345	0.8
96.95883	1.1
101.02358	1.0
102.38710	0.5
109.02861	0.8
113.02341	0.8
116.92781	1.0
118.15218	0.5
119.03391	0.7
121.02853	4.2
122.03647	1.1
123.00811	0.6
123.04439	2.1
125.02319	2.6
132.02086	1.3
133.02818	0.7
134.03665	2.5
135.04367	1.3
137.02376	1.5
149.02353	3.3
149.05974	0.8
150.03142	9.3
151.03915	1.3
152.69107	0.6
153.05525	1.1
160.01608	7.7
161.02275	1.5
163.03928	1.0
164.04753	1.1
165.01810	0.6
165.05473	10.8
166.02541	0.6
175.03940	9.5
176.04372	0.6
177.01866	1.3
179.03398	1.3
179.07143	0.7
180.04256	0.6
181.05058	1.1
190.02682	0.5
193.05006	1.7
195.06549	4.9
205.05067	1.1
209.11757	0.8
225.07651	1.8
233.08495	1.0
269.08145	3.9
283.09860	2.0
289.07343	2.1
299.09348	3.3
311.09283	4.8
314.11621	7.7
315.12006	1.5
325.10864	1.0
326.11609	5.0
329.13919	23.0
330.14404	1.8
337.09149	1.2
341.10187	0.9
341.13901	13.5
341.17776	0.7
342.14438	2.5
373.25897	1.4
375.27466	0.9
437.08557	0.9
549.27063	10.0
550.28064	1.2
667.32269	0.6
677.49658	0.6
695.39624	0.6
745.39594	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	745.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31471	0.9
55.01756	1.5
56.12202	0.8
57.03317	3.1
58.00474	5.0
58.81294	0.9
59.01253	78.3
59.40421	0.9
61.98703	9.0
67.01766	1.3
68.99687	1.5
71.01257	63.9
71.34698	2.1
72.99181	4.9
73.02819	1.7
81.03364	0.9
83.01262	3.1
84.02067	1.0
85.02838	9.2
87.00765	4.6
88.98692	2.9
89.02319	79.3
90.02644	1.3
93.03340	4.1
95.01260	5.2
101.02330	34.4
105.27256	1.0
108.02064	5.1
109.02832	3.6
111.00739	1.1
113.02330	26.9
117.03339	2.1
119.03400	29.7
119.04849	1.9
121.02872	5.6
122.03628	12.8
123.00777	3.1
123.04449	7.3
124.01562	1.8
125.02348	8.4
131.03386	3.7
132.02080	1.6
133.02853	4.2
134.03595	1.6
135.04417	3.7
136.01572	20.6
137.02376	5.4
138.03130	2.9
139.00243	1.3
139.03908	0.9
143.03418	6.3
145.02850	9.4
146.03539	1.8
147.04410	1.9
149.02365	18.0
149.04469	3.5
149.05975	1.3
150.03136	85.5
151.00305	5.3
151.03934	25.7
152.01001	1.3
159.04483	1.8
160.01611	1.2
161.02362	10.3
161.04442	6.4
161.05751	1.4
162.03143	32.4
162.04565	1.8
163.03819	4.1
164.01080	2.2
164.04678	4.2
165.01805	4.0
165.05493	100.0
166.02635	16.3
166.05823	3.9
167.03337	1.5
174.03105	1.0
175.03896	3.5
177.01846	3.7
177.05496	18.6
178.02631	3.5
178.05870	1.1
179.03403	1.1
179.03984	1.4
179.05553	15.0
180.04221	8.9
181.05002	22.5
182.05321	2.0
187.03983	0.9
189.05545	1.6
190.02602	1.4
191.03423	1.1
193.04996	8.5
195.06569	96.2
196.06975	5.8
203.07080	1.8
205.05026	2.0
205.08772	1.0
207.06506	1.2
219.06648	1.1
221.08156	1.2
223.05876	1.4
245.08148	1.4
248.79170	1.0
263.27075	1.1
265.07260	1.9
285.04102	1.2
289.07211	3.4
340.03583	1.0
341.10315	2.9
342.11157	1.7
356.12753	1.9
357.09637	3.2
357.13608	8.2
371.14862	1.2
372.12030	3.4
373.12708	1.2
387.14499	29.8
388.14874	4.3
464.86218	1.0
535.19489	5.8
547.19574	9.7
548.19543	1.7
565.20654	2.8
583.21820	19.8
584.22107	4.5
627.25671	1.2
715.26410	1.6
745.27222	9.2
746.26862	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	745.5034
Annotation	PG(16:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01243	3.5
61.98700	1.9
69.64957	4.5
69.65325	1.7
78.95778	46.7
79.95599	1.6
80.96382	2.2
89.02325	1.6
92.65716	0.9
96.95866	1.2
96.96833	2.6
98.20456	1.1
141.01614	2.7
143.99043	1.0
152.99490	54.6
153.99864	1.0
154.99504	1.0
171.00500	5.3
227.03244	5.5
253.21721	26.3
254.22057	2.7
255.23273	17.5
256.23679	1.5
277.21860	1.4
278.22025	0.9
279.23303	29.7
280.23715	4.6
281.24857	100.0
282.25189	10.1
407.00586	1.2
417.23929	1.8
480.96371	0.9
508.27298	1.9
509.28824	91.0
510.29202	11.3
745.50281	39.3
746.50726	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	747.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03954	0.5
59.01253	100.0
60.01591	1.2
66.18685	0.6
69.27298	4.4
173.26143	0.5
181.46559	0.6
186.40808	0.5
222.45450	0.5
265.14795	0.9
416.19257	0.7
437.15747	0.6
443.06686	0.6
455.17670	2.9
456.17490	0.8
467.13339	0.6
469.11481	0.8
473.18292	3.9
474.18222	0.8
483.12872	0.9
496.13870	2.5
497.14597	0.5
500.17151	0.7
510.15134	0.8
511.15790	1.0
512.13275	9.7
513.13336	1.9
525.13501	1.1
526.14996	10.3
527.15192	4.5
550.39520	0.5
569.16595	1.2
586.17218	0.8
599.18262	1.0
600.18652	1.4
601.19238	3.7
602.19531	1.7
613.19696	2.1
614.20209	68.6
615.20398	21.7
629.22552	0.8
632.17834	1.5
646.19141	10.5
647.19934	2.8
673.21301	1.0
687.23499	5.3
688.22876	1.7
747.25220	51.7
748.25476	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.6
57.03323	1.2
58.00475	6.5
59.01254	100.0
60.01588	1.0
61.98705	3.0
66.33392	0.9
71.01257	74.7
71.03297	1.6
71.03651	1.8
72.99175	6.0
73.02827	1.2
73.32451	1.0
80.45491	0.9
82.55952	1.0
83.01270	3.6
85.02828	10.3
87.00760	4.0
88.98709	1.4
89.02322	85.8
93.03315	1.8
95.01270	5.1
97.09834	1.0
101.02332	44.7
101.03008	2.4
113.02343	28.0
119.03397	44.4
121.02847	3.9
122.03627	5.8
123.00686	1.1
123.04443	1.4
125.02328	3.2
131.03384	4.8
137.02386	1.9
143.03444	7.1
145.02873	2.5
149.02361	12.4
149.04453	3.9
150.03143	32.5
150.59390	1.0
151.03767	1.7
153.05463	1.0
160.01563	1.7
161.02354	2.3
161.04495	4.8
162.03162	5.3
164.04709	2.2
165.01898	1.8
165.05508	32.0
166.05849	2.2
175.03862	1.2
177.05515	3.5
179.05573	14.8
179.07068	1.1
180.04227	1.7
195.06587	24.3
203.07164	1.5
242.09447	2.1
270.08966	1.9
285.11356	3.3
289.07047	1.6
292.69382	1.1
292.74048	1.1
298.08505	3.1
310.08475	1.7
311.09198	1.2
313.10858	2.8
325.10437	1.9
326.07996	1.2
341.10306	12.3
342.10800	1.2
356.12601	5.5
357.12610	1.6
359.15009	2.3
371.15009	24.9
372.15280	1.6
448.36057	1.1
519.20392	11.9
520.20825	1.9
550.20941	1.1
585.23425	1.6
681.25891	1.1
747.28564	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	747.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.0
56.43784	0.8
57.03322	1.7
58.00465	5.8
59.01252	100.0
60.01583	1.4
61.98699	2.0
71.01254	84.5
71.43400	0.8
71.54389	1.3
72.01608	1.5
72.99181	8.3
73.02821	3.5
75.60198	0.9
79.68314	0.8
83.01263	5.1
85.02826	14.8
85.99963	0.9
87.00756	7.7
89.02319	97.4
90.02649	2.4
93.03329	2.7
95.01254	4.9
97.02846	1.2
99.00758	1.8
101.02324	46.8
109.02823	1.9
111.00746	0.9
113.02331	35.1
117.03344	0.9
119.03397	41.1
121.02840	5.8
122.03650	9.5
123.04379	2.4
124.01528	1.2
125.02328	3.8
131.03441	4.6
132.02055	1.7
133.02841	2.0
134.03619	2.7
135.04411	1.7
135.19057	0.8
136.01541	2.0
137.02336	2.1
143.03394	8.4
145.02847	5.9
146.03618	1.7
147.04428	1.9
149.02359	21.6
149.04422	2.7
149.05991	1.7
150.03139	67.8
151.03792	4.9
160.01610	1.8
161.02348	6.2
161.04443	8.4
162.03146	32.4
163.03683	2.9
164.04674	3.4
165.01796	1.5
165.05492	61.7
166.05920	2.6
175.03845	1.9
177.01872	1.2
177.05499	19.7
177.07053	1.3
179.03780	1.4
179.05533	22.0
179.06915	1.0
180.04192	6.5
181.04774	1.5
187.03917	1.8
195.06561	27.4
205.05074	1.1
213.01831	0.9
227.03482	1.1
239.07173	0.9
241.05026	0.8
257.11798	1.7
269.08234	1.3
270.05499	0.8
270.08887	4.7
284.06747	0.9
285.11215	3.9
286.08597	1.3
289.07138	1.3
295.09604	1.1
298.08469	2.5
299.09256	3.7
310.08444	1.1
311.09149	3.8
313.10757	2.8
314.07977	2.9
323.09167	1.0
324.09930	1.1
325.10733	2.4
326.07947	2.1
326.11444	1.4
329.10306	11.7
330.10730	2.0
341.10333	13.4
342.10596	1.7
344.08658	1.5
344.12646	16.0
345.13193	2.5
356.12579	7.6
357.12253	3.6
359.14993	26.7
360.15289	3.1
371.14966	20.2
372.15329	2.3
491.16022	1.7
503.15738	2.7
506.18088	2.6
507.20032	2.4
519.19720	2.0
521.20325	14.7
522.20776	2.0
533.20398	15.2
534.20660	2.9
537.21240	6.0
551.21625	2.2
585.23676	1.3
669.25275	1.4
681.25500	17.0
682.25763	2.9
699.26581	41.4
700.26868	8.0
710.87378	1.0
729.28369	1.6
747.28851	17.5
748.29346	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	747.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.9
57.40751	0.5
59.01255	16.4
60.09666	0.5
61.98705	3.5
69.34493	5.2
71.01261	14.8
72.99167	1.2
73.02827	1.8
74.66044	0.5
76.15804	0.5
79.89723	0.6
83.01279	1.9
85.02831	3.5
87.00752	1.9
89.02325	13.3
93.03337	4.5
95.01263	1.1
95.04912	0.6
98.19763	1.0
99.00757	1.1
101.02330	9.1
108.02057	0.9
109.02852	1.8
111.00760	0.9
113.02315	6.2
119.03397	6.7
120.01127	0.7
121.02841	8.4
122.03638	16.0
123.00822	0.7
123.04462	3.7
124.01561	1.3
125.02352	2.2
131.03404	0.6
132.02045	0.8
133.02837	2.2
134.03616	1.9
135.04437	1.4
136.01570	1.9
137.02342	2.3
139.03947	0.8
143.03380	1.3
145.02885	1.1
147.04474	0.8
149.02357	23.2
149.06013	1.6
150.03137	100.0
151.03505	5.0
153.05516	1.3
159.04401	0.7
160.01584	1.0
161.02348	1.8
161.04512	1.6
162.03035	1.2
163.00089	0.5
163.03955	1.5
164.04712	5.1
165.01843	1.4
165.05492	84.3
166.05806	4.4
167.03398	0.9
173.06003	0.8
175.03938	1.1
176.04527	0.6
177.01915	1.0
177.05466	1.3
179.05594	4.8
179.07031	1.0
180.04224	7.7
181.04814	0.7
187.03928	1.0
190.02692	1.0
190.06323	0.7
191.03331	0.7
195.06570	41.3
196.06931	2.8
205.05043	1.7
219.06560	0.8
220.07294	1.0
235.09679	0.9
289.07086	1.6
301.11060	0.6
311.09378	2.5
313.10739	1.0
326.11685	0.8
341.10352	1.1
342.11179	0.8
343.11890	1.4
344.12238	0.8
345.13379	1.4
355.12146	1.0
356.12640	1.3
357.13272	0.7
359.15073	1.9
367.10364	0.7
371.15057	4.9
385.14478	0.7
389.25266	0.9
491.15637	1.3
503.15433	2.6
506.18024	2.9
507.20081	0.8
518.18024	1.2
519.19629	1.7
521.20325	24.1
522.20526	2.3
533.20306	25.9
534.20551	4.2
537.21362	4.1
549.21198	1.3
551.21344	5.4
552.21960	0.7
669.25531	1.3
681.25562	7.4
682.26282	1.5
699.26630	31.1
700.26874	7.0
747.28809	12.2
748.29108	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	747.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.6
59.01252	100.0
60.01586	1.4
61.98702	15.1
71.01250	2.3
71.55017	0.6
72.99182	0.8
73.02826	0.6
75.00732	0.5
83.01233	0.6
85.02837	1.5
88.98679	4.1
89.02336	1.3
96.95879	0.6
101.02316	2.2
108.02067	0.5
109.02858	0.6
110.14860	0.5
113.02319	2.2
119.03316	0.8
121.02858	2.6
123.04400	1.7
125.02348	2.1
133.02805	0.5
134.03654	1.0
135.04498	0.6
136.05203	1.1
137.02361	0.7
139.11218	1.0
145.02837	1.0
146.03497	0.4
146.68842	0.4
147.04385	0.8
149.02354	2.7
150.03131	6.5
151.03839	1.4
153.05518	0.7
159.04326	0.6
161.02315	1.0
161.04399	1.1
162.03075	0.6
163.03886	0.6
164.04683	1.6
165.01784	0.9
165.05515	4.6
175.03949	1.1
177.01833	0.7
179.03395	1.4
179.07037	1.1
180.04201	0.5
181.05019	0.5
183.10188	6.6
193.05006	1.2
195.06532	4.9
209.08096	1.1
209.11752	0.7
221.00841	1.2
251.05385	0.5
255.10316	1.5
269.08182	9.1
270.08618	0.8
271.69058	0.5
281.08282	1.1
282.08670	0.6
283.09683	4.6
296.10608	0.9
297.33887	0.5
298.12262	0.7
299.09210	6.7
310.08600	0.9
311.09265	11.5
312.09561	1.4
314.11606	16.4
314.15192	0.8
315.11884	1.7
325.10815	3.0
326.07950	0.9
326.11591	10.8
327.12021	0.6
329.13931	63.8
330.14322	6.5
341.13925	41.4
342.14276	5.8
343.11856	8.3
344.12085	0.7
350.24872	0.4
357.13083	0.5
357.26575	0.6
359.15067	0.8
373.25946	0.6
375.27484	4.3
391.14017	0.8
475.37265	0.5
579.61096	0.5
699.33771	1.7
747.25031	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.6
59.01252	100.0
60.01586	1.4
61.98702	15.1
71.01250	2.3
71.55017	0.6
72.99182	0.8
73.02826	0.6
75.00732	0.5
83.01233	0.6
85.02837	1.5
88.98679	4.1
89.02336	1.3
96.95879	0.6
101.02316	2.2
108.02067	0.5
109.02858	0.6
110.14860	0.5
113.02319	2.2
119.03316	0.8
121.02858	2.6
123.04400	1.7
125.02348	2.1
133.02805	0.5
134.03654	1.0
135.04498	0.6
136.05203	1.1
137.02361	0.7
139.11218	1.0
145.02837	1.0
146.03497	0.4
146.68842	0.4
147.04385	0.8
149.02354	2.7
150.03131	6.5
151.03839	1.4
153.05518	0.7
159.04326	0.6
161.02315	1.0
161.04399	1.1
162.03075	0.6
163.03886	0.6
164.04683	1.6
165.01784	0.9
165.05515	4.6
175.03949	1.1
177.01833	0.7
179.03395	1.4
179.07037	1.1
180.04201	0.5
181.05019	0.5
183.10188	6.6
193.05006	1.2
195.06532	4.9
209.08096	1.1
209.11752	0.7
221.00841	1.2
251.05385	0.5
255.10316	1.5
269.08182	9.1
270.08618	0.8
271.69058	0.5
281.08282	1.1
282.08670	0.6
283.09683	4.6
296.10608	0.9
297.33887	0.5
298.12262	0.7
299.09210	6.7
310.08600	0.9
311.09265	11.5
312.09561	1.4
314.11606	16.4
314.15192	0.8
315.11884	1.7
325.10815	3.0
326.07950	0.9
326.11591	10.8
327.12021	0.6
329.13931	63.8
330.14322	6.5
341.13925	41.4
342.14276	5.8
343.11856	8.3
344.12085	0.7
350.24872	0.4
357.13083	0.5
357.26575	0.6
359.15067	0.8
373.25946	0.6
375.27484	4.3
391.14017	0.8
475.37265	0.5
579.61096	0.5
699.33771	1.7
747.25031	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.4
61.98709	13.1
71.01257	1.7
71.54530	0.4
72.99184	5.0
75.00749	100.0
76.01083	0.8
81.03336	0.5
83.01271	0.4
83.04900	1.5
84.74225	0.4
85.02816	0.7
87.00758	0.5
87.59689	0.3
88.98694	0.7
89.02323	0.7
96.95915	0.5
101.02332	1.1
113.02348	0.5
119.03384	0.4
123.04404	1.2
125.02378	1.1
131.88487	0.4
137.02341	0.6
145.02881	0.7
149.02351	0.6
150.03171	0.6
153.05423	0.4
161.04468	0.7
163.03900	0.6
163.11168	0.9
163.25462	0.4
165.01845	0.6
165.05402	0.6
165.12799	0.7
171.10146	0.6
175.03940	0.7
191.10715	0.4
193.05006	0.5
209.11780	65.6
210.12132	3.4
227.12839	11.9
228.13200	0.5
235.08260	1.2
253.09328	3.5
289.07178	0.7
357.26672	0.7
359.27789	0.5
445.20685	1.2
690.62518	0.4
693.20715	0.4
700.10297	0.4
748.11084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57299	1.4
62.39009	1.4
63.93528	1.4
67.53672	1.2
71.01252	9.0
71.33808	2.4
73.02782	1.4
78.98471	7.9
79.95602	13.0
80.96391	86.0
85.02805	3.0
87.00757	2.6
87.21336	1.5
89.38963	1.4
94.97967	20.1
99.12584	1.4
100.45777	1.4
101.02332	3.3
106.98000	3.6
116.08242	1.5
120.27943	1.5
122.97441	4.2
125.02345	2.3
134.97484	7.6
136.99059	2.1
148.98973	6.9
152.98524	5.1
164.98561	13.6
167.35707	1.5
169.50018	1.4
206.99609	4.7
211.13350	2.1
225.00700	20.9
255.23311	2.6
360.21042	1.4
439.17850	1.6
471.14185	1.6
493.17233	3.1
535.50812	1.5
749.41492	100.0
750.41565	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	749.415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02485	1.9
61.98709	2.4
68.98384	1.5
69.45453	1.4
69.72334	1.7
71.01251	9.1
73.02792	2.0
78.98457	9.7
79.95600	13.9
80.96394	100.0
85.02800	3.2
87.00774	3.5
89.11382	1.7
89.28869	1.9
94.97968	24.5
96.95895	1.9
97.02847	2.7
97.94906	1.7
101.02307	3.1
106.97961	5.5
117.66558	1.5
122.97464	3.8
125.02347	4.4
134.97453	6.2
139.34232	1.6
148.99098	7.1
152.98523	6.5
164.98540	20.2
206.99635	4.5
211.13257	2.0
225.00682	25.1
229.47296	2.0
383.07092	1.9
391.83942	2.0
413.01230	1.9
493.17487	4.9
514.46417	1.9
587.50836	1.9
714.80463	2.2
749.41516	96.2
750.42029	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	750.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02930	0.3
59.01252	9.8
60.01586	0.6
61.98704	100.0
79.52150	0.3
80.96374	0.4
103.23548	0.3
220.56810	0.3
486.50433	0.4
515.13684	0.7
529.15295	0.5
615.20654	0.6
616.20557	2.8
617.20575	4.9
649.19916	0.8
690.23621	0.6
749.26282	0.8
750.25006	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	751.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	7.6
63.69991	3.2
71.01247	3.1
75.54514	3.1
76.84526	2.8
79.28648	3.0
88.59109	2.9
98.20641	6.4
105.42329	2.8
109.02802	3.3
125.02337	43.0
148.01515	4.9
151.00282	6.9
151.03926	5.0
160.01501	5.0
161.02319	9.9
195.30711	3.4
199.03947	9.5
201.01782	4.3
240.04317	4.4
242.02063	3.8
243.02969	80.8
244.03322	7.4
255.03006	4.3
269.00885	6.0
269.04196	3.6
271.02505	16.4
283.02344	16.2
287.05579	3.6
289.07175	3.7
300.02829	25.3
301.03601	20.0
355.06525	6.8
463.08682	32.2
599.10364	100.0
600.10706	12.8
625.12128	11.0
634.63348	3.9
751.15295	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	7.6
63.69991	3.2
71.01247	3.1
75.54514	3.1
76.84526	2.8
79.28648	3.0
88.59109	2.9
98.20641	6.4
105.42329	2.8
109.02802	3.3
125.02337	43.0
148.01515	4.9
151.00282	6.9
151.03926	5.0
160.01501	5.0
161.02319	9.9
195.30711	3.4
199.03947	9.5
201.01782	4.3
240.04317	4.4
242.02063	3.8
243.02969	80.8
244.03322	7.4
255.03006	4.3
269.00885	6.0
269.04196	3.6
271.02505	16.4
283.02344	16.2
287.05579	3.6
289.07175	3.7
300.02829	25.3
301.03601	20.0
355.06525	6.8
463.08682	32.2
599.10364	100.0
600.10706	12.8
625.12128	11.0
634.63348	3.9
751.15295	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05166	0.1
53.60720	0.1
59.01250	1.2
60.87029	0.1
61.98698	0.8
66.61002	0.1
69.66912	0.1
71.01251	1.2
72.58555	0.1
72.99179	3.0
73.02808	0.2
75.00747	100.0
76.01091	1.1
77.05133	0.1
83.04890	0.1
85.02830	0.2
87.00759	0.2
89.02325	0.9
97.02832	0.3
98.19827	0.3
101.02332	0.9
113.02329	0.4
119.03413	0.3
125.02354	0.5
143.03375	0.3
146.82996	0.1
154.60837	0.1
161.04498	0.2
179.05525	0.2
206.19849	0.1
221.06609	0.1
225.11237	0.1
235.08195	0.5
253.09218	0.1
277.21738	2.7
278.22055	0.2
305.08939	0.3
397.13483	5.5
398.13907	0.5
402.39478	0.1
415.14606	1.7
766.38800	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	751.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.3
61.98689	0.9
71.01258	1.2
72.99184	2.6
73.99471	0.2
75.00748	100.0
76.01080	1.3
80.35444	0.2
84.85986	0.2
85.02845	0.3
87.00761	0.4
89.02317	1.1
97.02841	0.3
98.19743	0.3
101.02310	1.0
113.02336	0.8
119.03452	0.4
125.02330	0.5
132.10609	0.2
145.77275	0.2
161.04526	0.4
187.47731	0.2
209.11763	0.5
223.13429	0.5
224.13660	0.3
224.78798	0.2
229.29434	0.2
235.08215	0.8
253.09203	0.2
254.54575	0.2
277.21722	3.3
278.22031	0.4
289.18103	0.4
290.18616	0.2
397.13498	6.3
398.14035	0.5
406.74872	0.2
415.14490	2.1
416.14526	0.2
629.93292	0.2
679.14832	0.2
751.39935	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	2.2
59.01248	14.9
61.98710	9.0
67.03207	1.9
69.03312	2.7
71.01250	14.2
73.02824	4.2
83.04908	5.7
85.02815	4.9
87.00756	4.3
89.02306	6.2
95.04916	4.8
97.02831	3.2
101.02336	8.8
111.08045	8.5
113.02309	5.7
119.03285	1.8
143.03343	3.0
161.04457	2.2
167.10727	4.4
171.10127	3.5
177.12685	9.2
179.10771	3.5
195.13815	18.9
197.11731	4.9
203.10767	3.4
205.12248	6.0
211.13341	9.2
221.11771	56.8
221.13777	3.7
222.12141	3.0
223.13364	59.2
224.13690	5.0
235.08289	5.6
239.12856	100.0
240.13243	7.4
253.09259	24.6
265.86362	1.9
275.20242	6.2
291.19702	51.5
292.19952	6.4
293.21231	95.9
294.21558	9.9
309.57001	1.9
457.20761	4.8
475.21759	12.2
728.78070	2.2
751.42664	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	751.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.2
59.01247	5.3
61.98703	2.7
66.65413	0.6
69.03328	2.5
71.01253	4.8
71.04890	0.6
73.02809	1.0
83.04884	0.6
85.02813	1.6
87.00758	1.5
89.02327	3.1
90.27580	0.6
93.03351	0.8
95.53545	0.6
97.02836	1.0
101.02326	3.8
109.06512	0.9
109.62302	0.6
111.08051	6.6
113.02346	2.4
113.86124	0.6
119.03365	1.0
121.67497	0.5
125.02319	0.6
125.09620	0.6
149.09639	0.8
151.03889	0.6
161.04460	2.1
167.10706	2.8
169.12219	1.4
171.10136	0.6
179.05556	0.8
179.10675	1.7
179.14368	4.1
181.12303	0.8
189.74640	0.5
195.13876	8.9
197.11778	30.8
198.12091	1.7
199.13341	1.7
205.12276	9.6
211.13490	4.2
223.13354	100.0
224.13701	7.6
227.12769	0.9
235.08215	5.4
247.20552	0.6
253.09265	12.8
263.20200	1.7
265.18094	0.7
282.70410	0.6
291.19666	13.6
292.19949	1.7
309.20712	45.8
310.21155	3.9
333.75671	0.7
376.54257	0.6
459.22308	10.4
460.22452	0.9
527.29016	0.7
545.29803	1.6
633.29163	0.6
751.41791	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	752.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.1
57.07773	0.1
59.01252	0.1
60.29873	0.1
61.85237	0.1
61.98703	100.0
62.98409	0.1
66.78921	0.1
68.65981	0.1
70.83221	0.1
70.83533	0.1
71.01261	0.1
79.96844	0.1
83.01305	0.1
93.03397	0.1
99.00789	0.1
102.17986	0.1
109.02839	0.1
118.08178	0.1
121.02853	0.1
122.03683	0.1
123.00365	0.1
123.04441	0.2
125.02336	0.4
133.60535	0.1
137.02354	0.3
150.03210	0.1
161.02344	0.1
164.01193	0.1
165.01854	0.1
167.03421	0.1
175.03873	0.1
180.80775	0.1
205.05016	0.1
207.10294	0.2
209.11795	0.3
223.06206	0.1
224.46364	0.1
241.05096	0.1
258.35806	0.1
289.07303	0.3
290.86551	0.1
295.08179	0.1
329.13995	0.2
335.81238	0.1
430.69733	0.1
493.89084	0.1
540.52441	0.1
601.23907	0.1
753.29047	0.1
770.28589	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	753.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.9
59.56351	0.3
61.61605	0.3
63.02274	1.4
63.50720	0.3
64.43124	0.3
64.60204	0.3
65.00198	1.2
65.03820	0.4
71.01273	1.7
74.71463	0.3
78.37600	0.3
80.02552	0.3
81.03347	0.4
82.78725	0.4
83.01245	1.6
83.04865	0.9
87.00745	0.4
89.02335	0.4
89.03893	0.4
92.28989	0.3
93.03336	2.5
95.01262	0.5
95.04865	0.5
97.02821	0.8
99.00744	0.4
101.02309	1.1
107.01283	3.5
108.02072	0.5
109.02843	1.5
109.06452	1.2
113.02329	0.9
117.03349	13.0
119.04926	9.7
120.05274	0.5
121.02847	1.0
123.00796	0.5
123.04388	1.4
125.02325	1.3
125.09618	0.4
130.04128	0.5
132.02063	4.6
133.02840	1.5
134.03648	6.9
135.00790	1.1
135.04439	0.5
137.02325	1.7
143.04913	1.5
145.02863	35.0
146.03214	1.6
147.04440	1.2
149.05983	1.6
150.03122	0.5
151.00299	5.1
151.03925	0.9
153.01871	0.5
154.04126	0.6
155.04930	0.4
157.06483	1.3
159.04407	2.4
160.01576	12.8
161.02394	2.5
161.04440	0.4
161.05981	0.5
162.03098	1.2
163.00313	2.3
163.03926	8.6
163.11215	1.2
164.01065	0.4
165.01877	0.9
165.12704	0.4
167.03459	0.6
167.04922	0.8
169.01338	1.2
169.06525	1.0
171.04420	0.7
171.10176	1.3
173.02399	0.4
173.05997	0.8
174.03200	1.9
175.03926	15.3
176.04419	0.5
177.05542	0.4
178.02626	0.9
179.03407	0.9
183.04430	1.9
184.05206	0.4
185.06062	2.7
187.03926	5.5
188.04323	0.4
189.05487	1.5
192.04208	0.9
193.04994	7.4
195.04462	1.0
196.05219	0.7
197.05959	1.1
197.11771	0.8
199.03969	1.4
200.04881	0.4
201.05441	1.0
202.02666	2.4
203.03381	0.4
207.10194	2.8
209.11789	9.8
210.12117	1.0
211.03954	3.4
211.13367	1.2
212.04749	0.6
213.05414	2.0
214.02711	0.6
215.03481	0.8
217.05026	6.8
217.07104	0.2
223.12943	0.3
225.11264	3.3
226.02734	0.4
227.03456	17.3
227.12848	1.9
228.03880	1.4
229.05002	9.2
229.08609	0.6
230.05347	0.7
231.06558	1.2
235.08228	0.8
239.03363	2.2
239.71951	0.4
240.04196	1.2
241.05029	1.4
243.02869	0.6
249.14761	0.4
253.09236	2.1
255.02982	34.2
256.03552	4.4
257.04544	6.0
258.04974	0.5
267.03070	0.7
271.02368	0.5
273.07712	2.5
275.09332	0.9
283.02466	8.8
284.03265	32.6
285.04037	100.0
286.01215	0.5
286.04388	8.0
287.16513	0.8
288.16885	0.5
289.07230	1.2
289.18076	3.9
290.18491	0.4
291.08701	2.0
291.19736	0.7
293.21414	0.6
299.05563	2.7
300.02698	1.0
303.08655	1.1
305.17639	1.3
306.18088	1.0
307.08325	0.5
307.19244	1.7
309.20737	1.8
315.05020	1.9
321.29559	0.4
375.32040	0.3
407.07767	0.5
413.08722	1.4
437.12445	0.6
449.12701	0.5
453.11987	2.0
460.70267	0.5
461.20129	0.7
467.13452	21.2
468.13721	2.7
559.12433	4.3
560.13062	0.5
577.13556	5.1
589.13879	0.8
607.14441	1.3
717.38446	0.4
735.39685	1.0
752.39197	0.7
753.18292	17.0
753.38727	2.0
754.18286	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	753.1822
Annotation	Chrysoeriol 7-(3'',6''-di-(E)-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
54.82445	0.7
56.83494	0.7
59.01252	1.0
61.41915	0.7
61.98699	3.9
63.02258	2.8
63.03277	0.7
65.00197	2.4
67.56774	0.6
83.01257	2.1
83.04894	0.8
85.02815	0.8
93.03343	2.8
98.20556	1.7
107.01257	5.3
109.02846	1.3
117.03353	26.1
117.04188	1.7
118.03654	1.2
119.04919	26.5
120.05206	0.9
121.02836	2.6
123.04350	1.3
125.02337	1.3
127.03900	0.9
130.04059	0.9
131.04964	1.5
132.02052	3.5
133.02866	1.3
134.03619	7.6
135.00777	1.7
137.02396	1.5
143.04951	1.8
145.02855	88.7
146.03195	4.1
149.05989	1.3
151.00278	9.6
151.03874	0.7
153.05447	0.6
155.04953	0.7
157.06418	1.2
158.03654	1.3
159.04434	3.6
160.01561	11.5
161.02275	1.9
161.05905	0.8
162.03101	2.3
163.00304	2.0
163.03925	25.9
164.01080	1.9
164.04327	1.3
167.04919	0.8
169.01392	1.2
169.06538	1.1
171.04343	1.3
173.06126	1.0
174.03162	1.5
175.03931	13.4
176.04404	1.4
183.04433	2.0
185.06044	2.8
187.03944	13.7
188.04520	1.0
189.05553	1.7
193.05017	7.2
195.04442	0.9
196.05302	1.0
199.03944	2.5
201.05551	1.3
202.02666	3.3
205.04956	0.7
207.10027	0.8
209.11771	2.0
211.03973	3.2
213.05492	2.7
215.03453	1.5
217.04980	6.9
219.06714	0.9
225.11322	1.4
227.03461	15.0
228.03929	1.9
229.05070	8.9
229.08597	1.0
230.05388	1.2
231.06706	1.3
239.03474	1.9
240.04169	1.3
241.01456	0.9
241.05009	1.2
242.02289	1.9
243.02965	9.8
244.03625	2.1
253.09322	0.7
254.02312	0.8
255.02966	39.4
256.03568	5.5
257.04581	7.3
259.06216	1.3
267.02924	1.0
270.01672	2.2
271.02457	17.4
272.03116	3.0
273.07663	5.8
275.09332	1.0
283.02570	8.4
284.03241	28.9
285.04034	100.0
286.04385	6.8
289.07239	0.8
289.18143	0.9
291.08929	4.2
299.02057	13.4
299.05566	2.2
300.02716	32.3
300.06125	1.7
301.03140	2.9
303.08582	1.4
313.03525	3.3
314.04321	10.6
315.05109	67.5
316.05484	5.2
391.51389	0.8
395.07684	0.8
437.12408	23.0
437.18332	1.5
438.12762	3.3
453.11981	1.4
467.13388	19.6
468.13791	2.0
559.12268	4.6
577.13586	5.3
589.13806	2.4
590.13629	0.9
607.14514	6.2
608.14233	0.9
753.18243	32.5
754.18518	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	753.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.2
61.98705	8.6
63.02261	1.3
65.00182	0.6
69.24406	0.7
69.24812	2.9
71.01254	1.7
80.02542	0.5
80.07094	0.5
81.03291	0.5
83.01267	1.5
83.04896	1.4
85.02812	0.8
85.28892	0.4
88.84534	0.4
89.02334	0.8
93.03351	1.3
96.95857	0.6
103.98444	0.3
107.01276	2.3
108.02074	0.7
109.06480	1.5
110.03620	0.4
113.02401	0.5
117.03351	25.7
118.03663	1.0
119.04926	19.1
120.05228	0.7
121.02863	1.9
123.04415	1.6
123.08048	0.6
124.01581	0.9
125.02322	1.3
127.03874	0.6
130.04184	0.5
131.04909	1.2
133.02853	0.4
133.06470	1.0
134.03667	0.5
135.08047	0.5
137.02367	0.6
145.02856	77.0
146.03191	3.1
148.01596	1.5
151.00266	7.7
158.03703	1.4
159.04443	3.8
161.05991	1.1
162.03171	2.3
163.00266	1.2
163.03923	22.6
163.11171	1.2
164.01080	1.2
164.04294	1.1
165.12727	0.6
169.01393	1.0
171.04439	0.7
171.10217	1.6
182.12340	0.4
183.04428	0.7
185.02359	0.5
187.03937	14.1
188.04405	0.9
189.02000	0.4
198.03224	0.5
199.03946	1.9
200.04761	0.8
201.01996	0.5
201.09128	0.6
203.03502	0.5
207.10274	0.5
209.11777	22.0
211.07516	0.9
215.03427	1.5
216.04042	0.6
219.06674	0.5
225.11285	1.6
226.02592	0.4
227.03462	3.3
227.12778	3.7
228.04089	0.5
229.08702	0.8
231.06718	1.0
235.08080	0.8
241.01505	0.6
242.02176	3.3
243.02957	11.5
244.03609	1.9
245.00870	0.9
245.19067	0.5
253.09305	2.4
254.02214	1.0
255.02977	12.1
256.03537	1.0
257.04535	0.8
259.06192	0.5
270.01828	2.3
271.02484	26.6
272.03201	4.9
273.07748	5.7
275.09256	0.7
283.02609	1.0
284.03143	0.8
285.04044	3.2
286.04556	0.5
287.05655	1.5
289.18112	15.3
290.18365	0.7
291.08813	3.0
298.01334	0.5
299.01950	16.2
300.02744	43.2
301.03058	3.8
307.19165	1.2
309.20813	0.7
313.03568	4.6
314.04294	13.4
315.05103	100.0
316.05426	7.3
327.19611	0.7
345.20810	0.8
419.11664	0.6
437.12399	33.3
438.12903	4.4
443.09805	1.2
476.21848	0.4
589.13507	3.7
590.13593	1.0
607.14703	6.7
608.14899	0.8
643.63751	0.5
735.39832	1.2
753.18207	11.6
753.40033	0.6
754.18933	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	753.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.2
59.01255	4.5
61.98705	35.8
68.25658	0.6
69.03313	1.1
71.01256	4.4
71.53964	0.6
71.54347	0.7
73.02811	1.3
75.27720	0.7
78.95773	0.7
80.02537	1.5
81.03327	1.6
83.01260	1.0
83.04902	6.3
84.02063	1.1
85.02797	1.8
87.00757	1.2
89.02315	3.1
95.04903	1.7
96.95903	1.4
97.06461	0.9
101.02329	2.6
109.06486	3.8
111.08018	0.8
113.02337	2.0
113.05901	0.6
117.03342	0.7
121.02814	0.7
121.06512	0.8
123.04372	1.6
123.08024	1.0
124.91013	0.7
125.02307	1.2
125.09617	0.7
135.08080	0.9
137.02243	0.8
145.02841	2.0
156.65221	0.7
161.04453	2.0
163.11209	4.0
165.12738	2.6
171.10175	9.9
172.10521	0.9
181.12277	1.1
185.11790	0.9
191.10701	1.2
195.13960	1.1
205.04958	0.8
207.10213	2.2
209.11778	100.0
210.12141	6.9
223.13297	1.3
225.11371	2.1
227.12807	11.9
232.02432	0.6
235.08199	2.8
237.14862	0.9
245.18996	1.9
253.09280	10.1
255.02940	1.0
271.02432	1.0
271.17001	1.3
275.16342	0.7
284.03436	2.1
285.04007	1.9
287.16501	1.6
289.18112	45.3
290.18515	3.9
299.02051	1.3
300.02795	1.0
301.91919	0.6
307.19101	2.8
309.20892	1.1
315.05176	1.4
327.19714	2.0
345.20715	2.2
347.14972	0.9
387.88205	0.8
445.20944	1.3
491.17529	0.7
499.30585	2.3
642.78546	0.7
677.35352	1.1
721.71161	0.9
735.39197	6.0
753.18469	1.2
753.41034	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	753.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	13.4
69.03317	0.7
70.20811	0.6
71.01236	2.2
78.95803	0.7
81.98537	0.6
85.02841	0.6
87.37815	0.5
89.02321	1.4
101.02315	2.0
113.02299	0.9
141.87691	0.5
153.12747	1.1
161.04453	1.1
169.12260	5.5
197.11768	100.0
198.12086	5.0
223.09743	0.6
235.08107	1.3
253.09279	5.6
277.21722	47.3
278.22073	3.9
293.21509	0.9
362.63483	0.6
415.19547	0.9
433.20825	6.3
434.21292	1.0
753.41522	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.4
61.98706	100.0
62.98414	0.3
63.99126	0.2
71.01261	0.3
78.37594	0.1
80.96409	0.6
83.01244	0.2
88.98684	0.3
89.02326	0.2
94.97974	0.2
96.95904	0.5
98.55632	0.1
99.71043	0.1
107.01296	0.2
109.02847	0.2
113.02319	0.1
116.92764	0.2
117.03327	0.2
123.04430	1.1
125.02377	0.3
133.02890	0.2
133.06480	0.1
135.04417	0.1
137.02319	0.2
145.02859	0.6
149.02403	0.2
151.00313	0.4
151.03877	0.1
153.05493	0.8
154.05826	0.3
161.02367	0.4
162.03011	0.2
163.03891	0.2
164.01051	0.2
165.01883	0.2
175.04030	0.2
178.99777	0.2
201.11191	0.2
208.51430	0.1
255.02972	0.2
271.02609	0.2
285.04163	0.3
289.07150	0.3
297.49948	0.2
300.02905	0.3
301.03571	1.0
456.26889	0.2
482.23175	0.2
593.13300	0.2
608.96033	0.2
754.34430	0.5
755.16492	0.5
755.31537	0.2
763.33228	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1621
Annotation	quercetin 3-O-(3',6"-O-di-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
57.36024	0.6
59.01251	1.7
59.48212	0.4
61.62654	0.5
61.98704	100.0
63.02276	1.0
65.00196	1.9
71.01263	1.7
71.20194	0.5
71.20519	0.8
73.53517	0.5
79.95603	0.6
80.96399	0.7
83.01259	1.0
85.02804	0.6
88.98684	1.1
93.03339	1.2
96.95893	3.0
101.02333	0.6
107.01273	3.4
109.02854	1.9
111.00787	0.6
113.02369	0.6
116.92775	0.8
117.03368	2.2
119.04953	1.3
121.02833	4.3
123.04430	3.5
124.04758	0.7
125.02325	1.3
125.82854	0.5
129.35666	0.5
132.02058	0.8
133.02844	6.7
134.03593	1.3
135.04416	10.4
137.02362	1.5
145.02870	2.7
149.02376	0.7
151.00275	11.6
153.05505	3.1
154.05873	0.6
155.72478	0.6
158.03549	0.5
161.02364	17.4
162.02744	1.4
163.00301	1.5
163.03964	1.3
164.01083	0.9
165.01912	0.8
169.01378	1.3
170.66162	0.5
171.10159	0.6
175.03969	1.9
177.01984	0.6
177.05518	0.8
178.99852	5.9
179.03416	11.4
183.04387	0.5
187.03967	0.8
187.34987	0.4
201.05492	0.6
203.03551	1.5
209.11909	2.6
209.13576	0.4
211.04041	0.7
217.05023	0.6
227.03473	1.7
229.05087	2.1
243.02921	1.3
245.04475	1.0
251.16359	0.5
255.02896	5.1
257.04529	0.7
271.02469	6.1
272.02850	0.5
273.03995	0.8
283.02664	0.9
284.03320	1.8
285.04059	6.1
289.07309	1.0
299.02209	0.8
300.02728	7.6
301.03522	34.4
302.03867	2.4
307.08368	2.2
411.15671	0.6
414.20160	0.7
428.91330	0.5
431.09866	1.5
453.12003	1.8
469.11639	1.3
514.44525	0.6
593.12958	8.6
594.13684	0.9
609.12762	1.7
677.84222	0.5
755.16223	11.1
755.33942	1.3
756.16132	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	755.183
Annotation	Quercetin 3-(6'''-p-coumarylglucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
55.95253	0.8
57.03293	1.3
59.01245	1.4
61.98696	3.7
62.66098	0.9
62.66483	0.9
65.00204	2.3
66.03587	0.9
68.26473	1.0
69.03339	1.1
69.32563	2.5
69.32967	4.9
71.01265	3.6
73.02808	1.2
78.98473	1.1
79.95598	2.0
80.96395	9.0
83.01242	2.9
85.02830	2.3
92.73039	0.9
93.03316	1.8
94.97939	2.8
96.95889	1.3
98.20618	1.8
99.00737	1.0
101.02321	1.6
107.01280	5.3
108.02034	1.9
109.02832	3.6
119.04916	45.9
120.05188	1.8
121.02828	3.1
123.04396	3.2
125.02328	9.2
133.02840	1.5
135.04311	1.0
137.02341	2.9
145.02856	2.0
148.01550	2.1
148.98972	0.9
149.02310	2.2
150.03143	1.7
151.00275	17.6
151.03868	3.4
159.04474	1.2
161.02374	4.6
163.00256	3.6
163.03917	23.8
164.01080	1.5
164.98503	2.0
165.01912	1.1
165.05421	1.4
169.01323	1.0
171.04378	1.4
175.03873	2.2
177.01796	1.2
178.99763	11.1
179.03386	1.0
187.03969	1.6
191.05585	1.3
193.04965	1.5
199.03912	4.9
201.01903	1.3
204.27983	0.9
205.04907	1.1
211.03877	1.1
215.03424	1.9
225.00705	4.7
226.02715	1.9
227.03441	6.3
229.04971	1.8
243.02985	15.9
244.03337	1.2
245.04468	1.4
254.02232	2.9
255.02972	30.7
256.03271	2.8
271.02490	84.5
272.02914	9.0
273.03909	1.3
283.02335	1.2
285.03952	2.6
289.07236	3.5
297.03809	1.1
299.01968	36.5
300.02744	100.0
301.03479	51.2
301.06967	2.2
302.03946	2.8
343.04504	1.6
365.81714	1.0
408.08182	1.4
429.08011	5.1
430.92331	1.1
447.09296	2.6
463.08508	2.3
471.27805	1.0
593.13037	72.8
594.13336	12.4
698.17456	1.1
755.18176	49.5
755.31567	15.3
756.18469	10.7
767.67896	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98612	1.0
59.01242	1.8
68.15448	1.0
69.59146	1.0
81.89477	1.0
83.64043	1.0
107.01254	1.8
108.02066	1.3
125.02302	2.9
141.75986	1.3
148.01492	1.2
151.00200	5.8
161.02258	1.5
164.01088	1.7
177.01808	2.2
178.99733	4.0
191.05515	3.0
226.02795	1.5
227.03374	3.2
241.05046	1.0
243.02985	10.4
254.02159	2.5
255.02965	30.3
271.02478	60.0
272.02832	7.8
285.03958	1.2
289.07214	1.8
297.04083	1.4
299.02014	4.2
299.05157	1.3
300.02750	100.0
301.03287	15.8
364.66406	1.3
443.00650	1.1
660.41052	1.3
665.17529	2.8
755.20349	56.0
756.21118	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.6
57.03317	0.9
58.00467	0.5
59.01248	5.3
67.01750	0.4
69.03328	0.8
71.00854	0.3
71.01254	5.8
71.04900	0.3
72.99168	0.4
73.02827	1.7
80.02544	1.2
81.03339	1.1
83.01256	1.2
83.04897	5.0
84.02042	0.6
85.02823	1.5
87.00761	1.3
89.02313	3.2
93.03340	0.5
95.01289	0.3
95.04902	0.8
97.02831	1.7
97.06449	0.7
99.00761	0.5
101.02317	4.1
109.06472	1.4
111.00800	0.3
111.08047	5.6
113.02336	2.3
117.03372	0.5
117.88589	0.2
119.03391	0.7
119.04911	0.5
123.04391	0.3
125.02294	0.7
125.05953	0.5
125.09596	0.6
127.07536	0.6
127.11182	0.7
132.41202	0.3
133.05034	0.3
135.08075	0.7
137.02321	0.3
137.09616	0.8
143.03391	0.6
145.02872	0.8
145.04973	0.4
146.03239	0.4
147.11732	0.5
151.03963	0.5
151.11206	0.3
153.09145	0.3
153.12755	0.7
161.02193	0.2
161.04436	1.8
161.09686	0.3
163.11179	4.4
165.12770	3.0
167.10658	0.6
169.12268	2.4
171.10190	9.2
172.10541	0.5
175.03896	0.6
177.12849	0.4
179.05486	0.7
179.10641	0.5
181.12285	1.6
183.13835	0.9
185.11806	0.3
189.09120	0.3
191.10704	1.0
193.12192	0.7
195.13864	2.5
197.11766	27.0
198.12143	1.5
199.13356	2.8
201.11266	2.8
207.10197	1.8
208.10503	0.3
209.11772	100.0
210.12106	6.4
211.13327	5.8
212.13573	0.5
216.64651	0.3
221.15321	0.4
223.13380	1.1
225.11292	4.3
225.14856	0.7
226.11768	0.6
227.03523	0.4
227.12840	16.4
228.03908	0.4
228.13199	1.2
229.19481	0.3
235.08170	3.7
236.08505	0.4
247.20679	0.8
253.09268	15.7
254.09627	0.8
255.02921	0.5
256.03357	0.8
257.04089	0.4
263.20135	1.6
265.17917	0.7
273.18579	1.1
275.20163	0.7
284.03119	0.6
285.03961	2.4
286.04349	1.9
287.04648	0.8
289.18063	0.3
291.19669	16.6
292.19974	1.8
293.21237	8.5
294.21539	0.8
309.20706	43.6
310.21075	4.5
433.20932	0.3
445.20676	0.9
461.20193	0.8
463.21979	0.6
469.14093	0.5
501.32224	0.4
527.28589	0.3
545.29498	0.8
737.41321	0.6
755.18738	0.8
755.42480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.4
57.03313	0.6
58.00477	0.7
59.01251	5.0
61.26436	0.2
61.98694	1.1
69.03324	0.5
69.96286	0.5
69.96673	0.7
71.01257	4.0
72.99200	0.4
73.02839	0.7
77.70191	0.2
80.02541	1.2
81.03347	1.4
83.01256	0.5
83.04452	0.5
83.04902	4.8
84.02029	0.7
85.02823	0.8
87.00728	0.5
89.02323	2.4
95.01270	0.3
95.04900	0.7
96.52479	0.3
97.02821	0.6
97.06459	0.4
99.00737	0.4
101.02326	3.5
109.06493	0.6
111.08041	4.8
112.08331	0.3
113.02342	1.7
119.03387	0.7
125.02305	0.3
125.05939	0.5
125.09611	0.3
127.07566	0.4
135.08092	0.6
137.09610	0.3
145.04948	0.5
153.12761	0.4
157.05087	0.3
161.04501	1.7
163.11208	4.3
165.12758	2.7
169.12274	2.4
171.10150	2.6
173.14317	0.3
179.05518	0.6
181.12277	1.3
183.13873	0.4
191.10669	0.8
195.13805	0.4
197.11765	24.0
198.12164	1.4
199.13329	1.6
201.11290	0.5
206.02547	0.3
207.10161	0.7
209.11774	100.0
210.12117	5.9
211.13344	4.7
223.13242	0.3
225.11304	1.4
227.12843	11.8
228.13200	1.2
235.08185	3.6
253.09277	14.3
254.09685	1.0
263.20209	1.5
265.18024	0.5
273.18552	0.9
291.19675	12.0
292.20050	1.1
293.21207	2.6
309.20715	39.0
310.21078	3.8
445.20667	0.7
501.32605	0.4
527.28644	0.3
545.29657	0.8
567.76825	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.2
57.03310	0.6
58.00461	0.3
59.01250	4.3
60.73064	0.2
61.98698	0.3
62.86145	0.2
69.03328	0.5
71.01255	3.4
71.40066	0.3
71.40421	0.2
73.02818	0.7
75.33236	0.2
77.45454	0.2
80.02548	1.2
81.03323	1.0
83.01267	0.4
83.04893	4.7
84.02055	0.7
85.02827	0.7
87.00742	0.7
89.02313	2.3
92.86172	0.2
95.01246	0.3
95.04901	0.8
97.02834	1.4
97.06470	0.3
101.02328	2.7
103.98933	0.2
109.06500	0.5
111.08043	3.9
113.02332	1.6
119.03406	0.5
125.02319	0.3
125.06004	0.5
125.09620	0.6
127.11122	0.3
135.08063	0.4
137.09520	0.4
143.03452	0.2
145.04947	0.4
147.11774	0.3
153.09149	0.3
153.12717	0.5
161.04424	1.2
163.11206	4.1
165.12752	3.0
169.12291	1.7
171.10170	2.1
179.05510	0.6
181.12283	1.2
183.13794	0.5
184.40665	0.3
191.10703	0.7
193.12267	0.4
195.13902	0.3
197.11768	19.8
198.12080	1.0
199.13393	1.3
207.10187	0.5
209.11768	100.0
210.12103	5.8
210.13914	0.1
211.13341	2.9
223.13408	0.3
225.11337	0.7
227.12845	11.7
227.15105	0.6
228.13179	0.6
235.08156	3.1
247.20671	0.9
253.09264	11.4
254.09480	0.4
263.20084	1.2
264.20303	0.3
265.18082	0.6
273.18582	0.7
291.19653	13.8
292.19855	1.4
293.21231	1.6
309.20697	34.3
310.21039	3.2
445.20837	0.9
482.25751	0.2
501.32236	0.4
519.99164	0.2
545.29980	0.7
590.33197	0.3
598.70215	0.3
737.42310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.9
57.03323	1.6
58.00463	1.3
59.00985	0.8
59.01252	8.7
61.98708	1.5
69.03328	1.5
70.59061	1.5
71.01256	20.6
72.99173	1.3
73.02823	4.9
75.00710	0.6
81.03329	1.2
83.01254	0.9
83.04891	2.1
84.02049	0.6
85.02827	3.7
87.00751	2.4
89.02297	3.7
95.01269	1.3
95.04903	1.7
97.02820	2.4
97.06454	0.7
98.74444	0.6
99.00773	1.6
101.02318	6.0
109.06494	4.8
110.03677	0.6
111.00777	0.7
111.08017	2.9
113.02339	3.3
113.09702	0.6
119.03389	0.9
121.10138	0.5
123.04433	0.8
125.02330	0.6
125.09598	2.4
127.11172	2.0
135.08017	1.0
139.07558	0.9
139.11143	0.7
141.01820	0.6
143.03397	1.9
145.04976	0.8
149.09610	0.9
151.11224	0.6
153.12682	0.6
155.10664	1.6
161.04474	2.3
161.09608	0.7
163.11203	5.7
165.09077	0.7
165.12837	0.8
167.10661	1.9
169.12276	0.7
171.10184	45.6
172.10526	2.0
177.12860	0.7
179.10703	1.3
181.12277	2.8
185.11757	2.0
189.09120	1.5
195.13837	10.9
196.14407	1.0
197.11703	2.0
199.13260	0.9
201.11258	22.0
205.12251	1.2
207.10191	16.1
208.10585	1.1
209.11766	22.8
210.12068	1.3
211.13377	1.3
215.12834	2.1
223.13338	8.2
225.11276	28.7
226.11633	1.7
227.12822	3.5
228.13660	1.0
231.21265	0.6
235.08215	5.7
243.12328	2.5
247.20605	0.6
253.09280	18.9
254.09573	0.9
256.13120	0.9
275.20175	7.7
276.20441	0.8
291.19669	19.4
292.20111	2.2
293.21228	100.0
294.21539	7.8
295.10327	1.9
309.20721	2.0
417.55331	0.5
443.19171	1.5
461.20325	4.3
479.21045	0.7
492.21680	0.6
493.06912	0.6
529.30328	0.8
565.06158	0.6
607.34119	0.7
635.35345	0.6
654.31219	0.6
737.41010	3.1
738.41864	0.8
755.42786	2.7
756.43060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.3
57.03316	1.1
58.00497	0.3
59.01251	4.3
61.98707	2.0
69.03327	0.8
70.58924	0.6
70.59280	0.5
71.01257	4.2
71.04893	0.6
73.02818	1.0
80.02549	0.9
80.96371	0.3
81.03336	1.6
83.01265	0.4
83.04900	5.4
84.02040	0.8
85.02835	1.5
87.00754	0.8
89.02328	2.3
93.03333	0.4
95.01273	0.6
95.04868	0.7
97.02833	1.3
97.06499	0.5
101.02336	3.2
109.06482	0.8
111.08040	4.0
113.02307	1.7
117.03352	1.0
118.17448	0.3
119.03391	0.7
119.04907	0.9
120.05228	0.4
121.02813	0.3
125.02368	0.3
125.05949	0.6
125.09614	0.4
127.07535	0.4
135.08046	0.7
137.09601	0.8
145.02856	2.6
145.04900	0.4
146.03181	1.2
151.11191	0.4
153.12781	0.7
161.04446	1.6
163.03897	0.9
163.11172	3.7
164.04256	0.4
165.12738	2.6
169.12277	1.5
171.10162	2.1
177.01796	0.3
179.05490	0.5
181.12294	1.5
183.13777	0.7
187.03917	0.4
191.10667	0.8
193.12314	0.7
195.13818	2.2
196.14168	0.3
197.11775	16.4
198.12094	1.1
199.13393	1.6
201.11249	0.7
207.10374	0.5
209.11774	100.0
210.12114	6.4
211.13347	3.6
221.15460	1.0
223.13333	1.0
225.11302	0.6
227.03554	0.5
227.12848	14.6
228.13164	0.9
229.05092	0.3
235.08171	2.6
239.16560	0.4
243.02936	0.4
243.50818	0.3
247.20779	1.0
253.09261	15.3
254.09619	0.9
255.03003	0.7
256.03366	0.6
257.03610	0.5
263.20190	1.1
269.68997	0.3
271.02545	1.0
272.02875	0.4
273.18661	0.7
284.03223	0.8
285.03931	2.1
286.04202	1.0
287.04529	0.5
291.19656	18.2
292.19958	1.4
293.21265	1.8
300.02716	1.1
301.03110	0.9
302.03156	0.5
309.20709	50.8
310.21082	5.2
314.04306	0.3
315.04935	2.2
316.05380	1.6
317.05624	1.2
369.37994	0.3
438.12781	0.4
439.13058	0.6
445.20758	1.1
501.32132	0.5
519.33179	0.4
545.29688	1.2
755.18903	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34937	1.0
63.35365	1.2
67.08730	1.2
69.53684	5.6
71.01256	1.9
80.28884	1.0
83.01252	1.6
93.03346	6.6
104.02973	1.1
108.02078	1.6
109.02803	2.2
117.03378	1.4
119.04880	3.5
123.20584	1.1
125.02351	4.1
127.09938	1.1
132.02031	1.8
133.02809	3.7
137.02408	1.4
138.02550	1.4
145.02786	1.8
149.02379	1.1
151.03864	1.9
156.48010	1.1
161.02350	5.2
163.00290	1.1
165.05415	1.2
169.06407	1.1
177.01901	6.0
182.03497	1.8
183.04401	1.9
189.01831	1.7
197.05948	2.2
198.03242	1.5
211.03918	4.3
211.07498	1.4
213.05464	5.3
224.04794	3.3
225.05455	2.3
227.03403	13.6
227.06947	2.1
228.03992	2.7
229.04921	3.7
239.03445	2.0
239.07071	4.0
240.04114	2.8
241.04956	2.3
253.05046	20.5
254.05370	2.6
254.80829	1.3
255.03020	13.1
255.06552	3.3
256.03467	2.7
265.04953	2.3
266.02548	1.7
267.02975	12.5
268.03537	2.4
269.04523	2.6
271.06155	2.6
281.04468	7.5
282.05280	3.6
283.02460	11.4
283.06046	6.3
284.03195	8.7
285.04065	18.7
286.04355	1.6
288.95007	1.2
297.03946	2.9
309.04129	2.6
310.04852	37.6
311.05582	48.9
312.05838	4.2
332.06747	2.4
333.07349	1.3
347.09229	24.9
348.09613	3.4
361.07211	1.3
375.08728	3.2
376.09305	2.4
389.06659	7.0
404.09091	13.0
405.09671	6.8
430.06891	3.7
431.07571	5.7
449.08533	2.0
540.43976	1.3
593.15112	5.8
619.16669	28.3
620.16931	4.9
713.20453	1.8
739.18665	13.4
740.18866	2.3
757.19818	100.0
758.20190	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	759.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95835	0.6
59.01240	0.9
61.98711	4.0
63.02266	1.3
65.00199	1.0
69.71038	2.1
73.69769	0.5
74.00573	0.6
83.01253	1.5
85.02819	1.0
92.27650	0.5
93.03349	2.8
107.01267	2.9
109.02847	1.1
111.00826	0.6
113.02289	0.6
116.92731	2.3
117.03353	18.7
118.03677	0.9
119.04917	15.6
121.02836	2.1
123.04414	1.4
131.04839	1.1
135.00763	1.0
137.02380	0.5
143.04947	1.0
145.02856	63.6
146.03194	2.0
151.00291	4.2
151.03912	0.7
155.04901	0.8
157.06483	1.0
158.03613	0.6
159.04424	5.0
161.05942	0.8
162.03163	1.4
163.00269	2.5
163.03929	15.1
164.04305	1.3
165.01804	0.6
169.01337	1.7
169.06503	1.1
171.04387	1.1
171.10190	0.7
173.05963	0.7
183.04488	1.1
185.06021	3.6
187.03929	11.0
188.04326	0.7
189.05461	1.6
195.04506	0.7
197.06181	0.6
199.04016	1.2
201.05536	0.8
209.11781	1.0
211.03935	2.7
211.13351	1.5
213.05492	2.8
215.03357	0.9
227.03481	13.4
228.03831	1.4
229.05031	9.9
230.05341	0.7
231.06540	0.8
239.03456	1.6
240.04118	0.9
241.05014	1.8
255.02975	24.3
256.03665	3.5
257.04578	7.3
258.04913	0.6
273.07819	2.7
273.10269	0.6
283.02582	4.6
284.03262	23.1
285.04037	100.0
286.04395	8.3
291.08719	1.5
325.97803	0.6
328.22250	0.8
376.60217	0.8
381.52582	0.6
437.12384	29.4
438.12854	3.6
559.12451	3.3
577.13501	5.8
578.14142	1.5
590.97137	0.6
723.17212	52.5
724.17737	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	759.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01222	1.1
61.98697	2.4
63.02267	2.4
78.95840	1.0
83.01246	1.5
87.12717	1.0
93.03330	3.5
107.01270	3.6
116.92716	0.9
117.03350	19.9
119.04922	14.7
121.02837	2.1
143.04956	1.5
145.02855	62.9
146.03174	2.5
151.00310	5.6
159.04390	3.8
161.05994	1.3
162.03148	1.5
163.00252	2.3
163.03938	15.5
165.01892	1.0
183.04448	1.8
185.05962	3.7
187.03905	14.3
199.03796	1.4
209.11777	2.3
210.12140	1.6
211.03940	2.5
213.05551	2.1
224.04570	0.9
227.03474	13.2
228.03880	1.4
229.05045	9.8
241.05060	1.7
255.02962	24.7
256.03415	3.4
257.04535	5.7
273.07700	2.0
283.02451	5.1
284.03275	25.3
285.04044	100.0
286.04337	7.7
291.08563	1.8
437.12378	27.9
438.12619	2.9
559.12592	3.5
577.13354	6.1
723.17157	57.7
724.17413	15.0
733.13098	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58918	0.6
63.96117	1.2
71.01251	6.5
73.02808	1.4
78.98476	4.7
79.89006	0.6
79.95610	9.2
80.96393	58.3
85.02821	2.1
87.00740	2.1
94.97958	13.4
96.95894	1.3
97.02807	1.3
98.19804	1.0
101.02313	1.8
106.97960	2.2
122.97447	2.5
125.02305	2.0
134.97475	4.2
136.99051	1.0
147.32695	0.6
148.99036	5.4
152.98593	3.3
164.98544	9.5
183.51846	0.6
206.99626	2.0
217.18958	0.7
225.00696	16.2
225.02571	0.6
255.23276	1.5
279.28668	0.7
283.04666	0.8
505.17404	2.0
537.27142	2.1
644.99445	0.9
761.41449	100.0
762.41766	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	763.34
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.4
60.99179	17.9
61.98705	5.1
62.97970	0.2
68.33416	0.1
71.01269	0.4
72.99184	0.2
73.02819	0.1
87.00759	1.1
88.00273	1.0
88.98679	100.0
89.02317	4.0
89.99020	1.1
93.03334	0.3
109.02847	0.2
113.02325	0.1
116.92792	0.1
121.02845	0.2
123.04451	0.1
125.02328	0.2
137.02342	0.8
139.03871	0.1
145.02754	0.1
147.71124	0.1
149.00281	0.1
149.12004	0.1
150.03107	0.2
151.03867	0.2
152.93863	0.1
160.01547	0.1
165.01770	0.3
165.05472	0.3
179.03412	0.3
205.05005	0.2
209.11784	3.3
210.12090	0.3
227.12730	0.5
229.59378	0.1
253.09302	0.2
256.07306	0.1
259.06116	0.1
292.37106	0.1
322.52274	0.1
359.27719	0.1
375.27390	0.2
443.22977	0.2
684.78973	0.1
763.28876	0.8
764.29346	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76268	0.7
63.96125	1.5
71.01257	7.1
71.34148	1.5
73.02834	0.9
78.98476	6.1
79.95606	11.7
80.96394	65.0
85.02814	2.5
87.00758	2.3
87.08047	0.8
94.97959	16.2
97.02830	1.6
99.00728	0.9
101.02270	1.8
106.97971	3.0
115.30236	0.8
122.97465	3.3
125.02334	1.9
134.97484	3.8
136.99054	1.2
146.97473	0.9
148.99063	5.7
152.98563	6.1
164.98544	12.4
206.99617	3.0
207.10176	1.0
225.00700	21.4
226.01022	1.0
255.23291	1.8
265.06320	0.7
422.82379	0.9
507.15332	3.2
537.27441	1.6
763.39404	100.0
764.26257	1.5
764.39825	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	764.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00954	1.0
59.01251	16.9
59.04412	0.8
61.98703	5.5
69.37880	5.5
70.42509	0.8
71.01249	0.9
74.69245	0.9
77.94167	1.0
78.95777	24.1
80.02545	2.2
81.03316	2.6
81.45672	0.9
83.01273	1.7
83.04906	8.3
84.02021	1.0
95.04901	1.6
98.19837	2.0
108.85073	0.8
110.63842	0.9
122.98450	0.9
124.99984	1.1
125.05958	1.8
127.24134	0.8
135.08058	1.2
152.99489	3.5
163.11223	8.6
165.12843	4.3
168.04268	6.7
181.12335	1.5
191.10670	3.4
209.11778	94.8
210.12094	6.6
210.13847	1.1
223.13365	3.4
224.06834	5.5
225.00603	0.9
225.11472	0.9
226.12050	1.6
227.12848	13.7
228.13298	0.9
228.49295	0.8
241.14410	14.4
255.23274	79.1
256.23593	6.6
275.15152	0.9
349.37936	1.0
480.30878	5.9
496.92419	0.9
522.77368	1.1
619.36090	2.3
645.38477	1.9
690.43500	100.0
691.43878	21.3
704.45258	8.6
705.46039	1.6
764.40143	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.4
60.99182	17.3
61.98702	0.4
71.01233	0.4
71.41138	0.2
85.21576	0.2
87.00765	2.6
88.00279	3.2
88.98683	100.0
89.02321	15.9
89.99018	1.1
101.44861	0.2
118.43895	0.2
125.02274	0.2
140.76660	0.2
149.52739	0.2
199.76306	0.2
233.19946	0.2
277.21796	0.5
368.76721	0.2
397.13455	1.2
688.87457	0.2
797.24988	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01572	0.2
59.01252	0.5
60.99179	18.4
61.98699	0.5
63.35360	0.2
69.42323	1.3
71.01250	0.4
75.65123	0.2
78.95768	0.2
87.00766	1.4
88.00280	2.7
88.01087	0.2
88.98681	100.0
89.02320	11.2
89.74819	0.2
89.99017	1.2
98.88295	0.2
113.02404	0.2
125.02329	0.2
192.92876	0.2
200.73332	0.2
222.19621	0.2
223.41104	0.2
243.23329	0.2
277.21722	0.4
292.88293	0.2
397.13638	0.9
453.65805	0.2
465.40872	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	52.8
61.98697	2.9
67.01756	1.3
69.94164	1.3
71.09339	1.4
83.73189	1.1
99.08450	1.2
104.92694	1.3
123.00748	14.1
133.06425	1.6
137.02374	7.0
138.03134	7.0
151.03903	2.8
162.03050	1.1
163.03917	2.0
167.07077	1.8
193.08633	18.6
211.09706	2.2
215.07054	16.7
216.07755	3.5
216.34978	1.4
258.16138	4.0
277.21686	2.6
284.14163	20.4
285.14365	2.0
299.16513	100.0
300.16837	11.6
312.94315	1.2
493.25839	5.5
765.40747	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	765.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	57.6
61.98693	8.9
71.53928	2.6
73.02812	1.7
76.41299	1.7
78.95758	2.0
80.96400	5.0
82.79534	1.8
83.04889	1.4
110.45680	1.5
123.00777	14.8
137.02327	6.7
138.03149	7.7
151.03899	3.9
162.03094	2.7
167.07022	2.9
172.99359	1.7
193.08643	22.5
193.16010	1.4
199.03880	1.6
209.11812	7.2
210.12184	2.5
215.07079	19.0
216.07733	4.3
241.14430	1.9
255.23279	3.3
256.23599	3.1
258.16180	4.3
284.14166	24.1
285.14450	2.9
299.16528	100.0
300.16818	12.8
474.22159	1.6
493.25919	4.1
499.30856	1.7
682.70825	2.0
690.44171	2.0
691.43982	5.5
765.40045	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	765.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.6
63.96107	1.3
69.03313	0.8
69.43325	0.4
70.80790	0.4
71.01255	6.3
71.45192	0.5
72.99189	0.5
73.02824	1.7
78.98473	5.8
79.95606	12.0
80.96394	63.4
81.03339	0.9
87.00764	2.5
94.97964	15.3
96.95882	0.9
97.02847	1.7
99.00716	0.5
99.04382	0.4
101.02312	2.1
106.97977	2.8
121.73050	0.4
122.97481	3.2
125.02342	2.4
127.03936	0.7
134.97470	4.1
136.99048	1.4
146.97534	0.6
148.99048	6.3
152.98549	6.1
164.98540	11.9
167.00061	0.6
173.04468	0.5
181.45210	0.4
188.98616	0.6
206.99687	2.0
209.11812	1.2
225.00696	20.8
226.00981	0.5
252.54759	0.4
255.23289	1.7
274.35730	0.4
283.04935	0.6
343.13110	0.4
363.47931	0.4
509.17075	3.3
537.27136	0.8
703.52814	0.5
765.41010	100.0
766.41370	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29668	0.3
59.01250	13.9
61.98709	4.4
63.96127	0.3
63.99135	0.5
69.03342	0.7
69.67495	1.8
70.33344	0.3
71.01257	3.6
72.01588	0.4
72.99190	0.4
73.02822	0.9
74.39846	0.3
75.65568	0.3
77.02045	0.3
78.95788	0.3
78.98476	1.2
79.95604	2.4
80.96394	11.6
80.98019	0.4
81.95184	0.9
81.96356	0.6
82.95976	5.1
82.96791	0.8
83.04912	0.3
85.02827	1.2
87.00759	0.9
89.02322	1.7
94.97955	2.4
96.97554	1.3
97.02885	0.5
99.00755	0.4
101.02328	2.6
108.97587	0.3
113.02351	0.7
119.03382	0.4
122.97481	0.7
125.02309	0.6
134.97479	0.6
136.97055	0.4
148.99141	0.4
152.98485	0.4
161.04471	0.9
164.98521	1.3
165.98857	0.3
166.98112	0.8
167.10721	0.3
167.14255	0.4
169.61046	0.3
179.05516	0.6
183.13844	6.4
192.47220	0.3
193.12215	1.7
211.13344	100.0
212.13683	5.9
225.00668	2.5
226.01082	0.7
227.00189	1.4
234.82159	0.3
235.08183	1.4
253.09288	6.3
277.21722	47.9
278.22095	5.6
429.21234	1.0
447.22339	7.1
448.22513	0.9
513.30084	0.5
553.65448	0.3
767.41364	21.5
768.41302	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	768.366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98392	0.1
71.03642	0.3
79.27705	0.1
83.37766	0.1
92.26273	0.1
103.78690	0.1
110.27663	0.1
111.09151	0.1
125.02364	0.1
151.03880	0.1
168.55225	0.1
176.91275	0.1
289.07370	0.1
704.07208	0.1
708.17590	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	769.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	9.6
59.01257	6.3
59.03487	1.2
59.28975	1.3
59.73962	1.2
61.18169	1.6
61.98705	88.2
69.29855	5.2
69.30284	5.0
71.01250	3.8
79.95618	1.4
80.96399	2.6
81.03319	3.1
83.01257	8.1
83.04911	3.1
85.02823	1.9
88.98682	2.8
93.03335	3.5
95.01247	1.5
95.04881	4.6
96.95866	3.9
97.02824	7.2
97.06469	2.5
98.19759	2.9
101.02361	2.1
107.04889	2.7
108.02025	2.2
109.02129	2.3
109.02842	29.2
110.03217	1.5
113.02313	1.4
116.92725	1.8
117.37777	1.2
119.04884	2.6
119.31770	1.2
120.05637	1.4
121.02870	6.7
122.03632	4.8
123.00724	1.8
123.04425	23.3
124.00647	2.4
124.01559	49.6
124.04697	1.8
125.02349	30.1
129.59978	1.2
133.02823	5.4
133.06535	1.5
134.03616	2.6
135.04385	5.7
136.01553	10.6
137.02354	30.6
138.03098	1.2
138.05280	1.3
139.03882	3.2
145.02866	3.4
146.03619	1.7
147.04420	3.5
149.02341	9.9
150.03122	5.0
151.03922	32.1
153.05415	2.2
159.04451	5.0
160.01538	2.1
160.05145	1.8
161.02365	34.7
161.05980	5.9
161.09607	3.7
162.03008	5.7
163.00256	4.9
163.03961	7.9
164.01096	11.7
164.04730	2.6
165.01875	9.2
167.03389	4.7
168.88208	1.3
171.10225	1.4
174.03186	3.4
175.02591	1.9
175.03918	11.3
175.07574	2.2
176.01093	1.8
176.04364	1.8
177.01842	6.6
177.05432	2.5
177.12740	1.4
178.02512	1.4
179.03468	7.3
185.05913	1.4
187.03946	9.3
187.11227	3.5
188.04674	6.8
189.01819	3.8
189.09140	3.2
190.02592	2.1
191.03345	3.4
193.05026	2.0
195.06609	1.8
200.04744	2.5
201.05501	2.4
202.02635	2.1
202.06380	1.4
203.03462	3.4
203.07082	14.1
204.04138	2.7
205.01265	2.7
205.05077	11.2
205.12268	2.7
209.11742	1.7
212.04706	2.3
215.03529	2.1
217.05040	2.2
221.08173	3.5
227.03532	2.1
227.07050	3.7
228.04326	2.9
229.04959	5.1
231.02895	2.0
241.18188	1.3
243.02969	3.7
244.03703	2.1
245.04604	1.6
245.08157	17.7
246.08723	1.9
247.06056	2.4
249.11154	3.5
249.18520	3.9
255.03072	8.4
256.03708	9.5
257.04263	2.8
271.06268	1.9
273.04083	2.6
275.16501	1.6
281.04547	3.2
283.02481	6.6
285.03806	2.1
286.04770	2.7
288.02707	3.3
289.07187	100.0
290.07626	6.7
295.06168	2.4
299.05600	11.4
317.17572	87.8
318.17929	9.5
327.12488	1.6
329.06760	1.7
339.08728	3.7
356.16556	1.5
357.13409	7.9
357.17197	2.1
367.19031	2.4
369.16962	2.1
375.27380	4.3
379.19095	2.5
407.07574	2.1
408.47955	1.7
411.17123	2.2
421.20441	1.7
437.19626	4.9
447.18109	4.0
451.10303	20.4
452.10803	2.9
465.19122	11.2
479.20764	34.6
480.21219	3.0
531.23621	2.0
573.25037	4.1
599.22870	64.1
600.23126	15.1
617.23926	46.9
618.24054	10.0
648.47986	1.6
712.21631	1.6
725.94928	1.4
751.28174	2.9
769.28973	24.5
770.29358	6.9
796.75055	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	769.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	7.6
59.01247	2.8
61.98703	100.0
71.01251	2.6
71.53949	1.0
72.86313	0.7
78.95753	0.8
83.01261	3.7
83.02436	0.8
83.04877	1.4
85.02801	1.1
88.98683	1.1
89.02324	1.5
92.04408	0.9
93.03330	1.7
94.97955	1.0
95.04906	1.6
96.95897	2.9
97.02853	2.1
101.02300	1.1
107.04971	1.0
108.02047	2.8
109.02850	13.0
109.33342	0.9
113.02311	1.1
121.02837	3.1
122.03608	3.7
123.04414	10.0
124.01556	16.1
125.02342	46.5
126.02708	1.1
133.02866	2.9
135.04445	2.3
136.01541	3.5
137.02353	18.4
139.03897	1.2
145.02907	1.3
146.03651	0.8
147.04376	1.2
149.02347	5.1
150.03120	3.1
151.03909	8.6
153.05449	1.3
159.04395	3.0
160.01527	1.0
161.01054	1.6
161.02359	22.4
161.06007	3.1
162.02859	2.4
163.00290	2.8
163.03899	2.7
164.01070	5.1
165.01855	14.3
167.03360	1.4
174.03183	1.9
175.03870	4.3
176.01022	1.2
177.01866	3.7
177.05501	1.7
178.02431	1.0
179.03400	4.1
180.04237	0.8
185.05936	1.2
187.03967	5.0
188.04709	2.7
189.01930	1.6
190.02612	1.7
201.05498	1.8
202.06133	1.4
203.07098	5.0
205.01320	1.7
205.05008	5.1
209.11809	2.0
215.03435	2.4
216.04243	0.9
221.08282	1.1
227.03514	2.6
227.07141	1.3
228.04266	1.7
229.04926	1.6
239.24875	1.0
243.02878	1.8
244.03549	1.0
245.04448	3.9
245.08148	5.3
255.02963	5.5
256.03702	7.2
257.04416	1.8
261.11121	1.3
273.03946	1.2
281.04544	2.0
283.02487	5.1
286.04837	0.9
287.05554	2.8
288.02786	2.5
288.06006	1.2
289.07147	27.1
290.07446	2.5
299.05597	2.3
317.17569	23.5
318.17917	3.4
329.17548	3.4
339.08755	1.0
357.13394	2.3
367.19171	1.3
407.07730	1.5
431.28223	0.9
447.18045	2.3
451.10413	5.3
459.45151	1.1
465.18973	4.0
466.19528	1.0
479.20764	9.7
480.20966	1.3
481.22366	16.4
482.22687	2.8
491.20755	4.4
531.23364	1.0
573.25336	1.5
599.22827	35.9
600.23126	8.2
617.23871	20.5
618.24579	4.3
643.25732	4.6
769.28058	8.0
770.29639	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	769.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	7.9
59.01251	3.6
61.98706	100.0
63.58602	0.9
68.47961	1.0
71.01256	2.5
78.14498	0.9
78.95798	1.0
80.00698	0.9
81.03329	1.2
83.01270	4.0
83.04890	1.1
85.02836	1.3
87.62189	0.9
88.98708	1.8
89.02329	1.1
93.03339	1.4
93.58940	1.0
95.01304	0.9
96.95917	3.0
97.02847	4.2
98.19746	1.9
101.02360	0.9
108.02065	1.7
109.02856	8.9
113.02338	1.2
115.12473	1.0
117.03404	1.3
121.02855	4.0
122.03646	3.3
123.04424	11.0
124.01548	16.0
125.02346	45.4
132.02155	1.4
133.02835	3.5
135.04381	2.0
136.01546	3.3
137.02347	16.9
139.03874	1.6
139.16464	0.8
142.58582	1.0
145.02855	2.6
149.02377	5.5
150.03105	3.4
151.03940	8.9
153.05440	1.0
159.04411	2.2
160.01610	1.2
161.02351	19.5
161.05998	2.9
162.03116	1.9
163.00255	2.3
163.03969	1.9
164.01108	5.1
164.04677	2.1
165.01837	9.9
165.05515	1.0
167.03429	1.5
175.03897	5.0
176.00986	1.0
177.01868	4.0
177.05592	1.2
179.03435	2.7
182.02046	1.1
183.04375	0.9
187.03943	4.7
188.04712	3.3
189.01915	1.1
190.02667	2.7
191.03459	1.8
201.05569	1.2
203.03369	1.2
203.07103	6.1
205.01373	1.8
205.04970	6.9
209.11728	1.9
215.03577	1.6
223.05986	1.7
227.07060	1.4
228.04167	1.8
229.05086	1.7
243.03024	1.7
245.04442	2.1
245.08215	3.7
255.02997	6.0
256.03714	7.0
257.04410	1.0
283.02545	4.7
285.04211	1.3
287.05612	2.6
288.02777	2.3
289.07193	26.9
290.07547	2.2
299.05582	3.5
317.17557	26.4
318.17996	2.9
329.17538	3.3
339.08752	1.2
356.16193	1.0
357.13312	1.8
357.17120	1.5
367.19006	1.8
407.07590	1.5
447.18002	2.2
451.10654	4.7
465.19214	4.8
466.19766	1.3
479.20670	9.5
480.21469	1.9
481.22397	10.5
491.20837	3.2
573.24823	2.7
599.22870	34.9
600.23322	8.1
617.23950	16.8
618.23816	3.3
643.25336	3.6
674.98712	1.4
769.29565	5.7
770.29266	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	769.287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	16.5
59.01242	6.3
61.98375	3.8
61.98703	77.1
69.23156	1.7
71.01254	3.9
71.54682	1.8
72.99196	2.0
73.49599	1.7
76.10006	1.6
80.96386	5.3
81.03307	4.6
83.01261	9.9
83.04890	2.8
88.98692	3.2
89.02314	2.2
93.03330	4.0
95.01204	3.7
95.04921	4.1
96.95886	6.1
97.02818	7.3
108.02065	5.8
109.02132	3.0
109.02837	37.3
111.00749	2.9
116.92721	2.2
117.03366	3.4
119.04904	2.1
121.02850	8.0
122.03639	4.0
123.04415	32.7
124.01556	56.3
125.02351	67.0
126.02636	2.4
133.02834	7.1
135.04414	5.4
136.01534	3.7
137.02348	42.7
138.02747	1.6
138.81049	1.7
139.03905	6.9
145.02795	4.6
146.03622	2.4
147.04373	3.0
149.02345	15.1
150.03108	8.4
151.03918	20.0
153.05437	3.8
158.03571	1.8
159.04454	6.7
160.05164	2.2
161.02362	46.9
161.05983	7.3
162.03021	6.9
163.00276	5.1
163.03943	8.9
164.01056	12.9
164.04660	2.2
165.01843	17.4
165.05515	3.4
167.03383	3.9
173.05931	2.5
174.03162	5.4
175.03918	10.2
175.07544	3.6
176.01054	2.7
177.01859	8.0
178.02466	1.9
179.03429	9.9
185.05997	2.4
187.03995	13.8
188.04660	7.6
189.01878	3.0
191.03366	2.6
199.03809	2.5
200.04617	2.7
201.05475	2.6
202.06213	3.5
203.03355	5.2
203.07112	15.7
204.04073	2.3
205.01381	3.7
205.05042	14.1
209.11693	2.3
213.01778	1.7
213.05531	3.8
215.03435	4.0
217.05023	2.7
221.08118	4.1
225.00722	2.7
227.03391	5.4
228.04295	3.3
229.04965	5.3
231.02927	1.9
242.05664	2.3
243.02975	4.5
244.03712	2.6
245.04477	4.5
245.08176	18.7
247.06055	2.5
249.18593	3.1
255.03018	14.1
256.03741	17.4
257.04550	3.3
258.05045	2.3
261.11459	2.1
271.06079	2.1
273.04083	3.1
281.04526	4.1
283.02631	9.7
287.05569	2.4
288.02835	3.5
288.06024	3.3
289.07178	100.0
290.07477	8.8
299.05582	9.8
317.17575	90.0
318.18039	10.0
329.17560	3.6
339.08539	2.4
343.19080	2.9
357.16928	3.0
367.19193	3.3
369.17050	2.4
421.20184	3.6
437.19308	4.1
447.18088	8.0
451.10410	17.9
452.10413	3.3
465.19095	10.9
479.20804	37.8
480.20709	4.4
481.22446	14.1
531.23627	3.9
573.24738	7.0
599.22852	84.2
600.23395	15.3
617.23895	59.3
618.24469	10.9
643.25409	3.5
710.48956	2.2
751.27448	2.9
769.28198	24.4
770.29401	6.5
804.05988	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	769.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	4.1
57.29972	0.7
59.01245	3.2
61.98702	38.4
63.96090	1.6
64.92619	0.7
67.71064	0.6
69.03333	1.6
70.19603	2.8
71.01250	8.4
73.02825	2.1
78.95782	1.9
78.98463	6.4
79.95607	15.2
80.96390	80.0
81.03297	1.7
83.01240	2.1
83.04900	1.3
85.02811	3.6
87.00754	3.1
89.02338	0.8
93.03349	1.1
94.97958	17.7
96.95901	5.6
97.02836	4.0
101.02300	3.4
106.97970	3.1
108.02024	0.9
109.02831	7.1
111.00801	0.9
113.02309	1.7
116.92747	1.1
121.02826	1.6
122.03641	1.5
122.97439	4.3
123.04393	5.4
124.01559	6.2
125.02340	32.0
125.73195	0.8
126.02691	1.3
127.03925	1.3
133.02847	1.7
134.03616	0.8
134.97476	6.8
135.04385	1.5
136.98988	1.7
137.02351	7.9
145.03011	0.8
148.99034	7.7
149.02365	3.7
150.03128	1.2
151.03947	4.8
152.98503	6.4
159.04428	1.8
160.01553	0.8
161.02354	12.6
161.05998	1.4
162.02956	2.2
163.00235	1.5
163.03928	2.0
164.01027	1.9
164.98549	15.5
165.01801	6.1
165.05461	1.5
165.12781	0.8
167.00073	1.0
167.03290	0.8
175.03879	3.4
177.01797	1.8
178.72577	0.7
179.03438	2.0
187.03932	2.3
188.98541	1.0
201.05534	1.0
203.07071	3.2
205.01250	0.9
205.04973	2.7
205.15700	0.8
206.99619	4.3
209.11765	5.7
215.03508	1.2
216.02051	0.7
217.05013	0.9
225.00682	25.7
228.04329	1.0
229.35728	0.7
245.04335	1.6
245.08154	2.3
255.02942	3.0
256.03717	2.3
257.04440	1.2
281.04413	0.8
283.02362	1.6
285.03836	0.9
287.05612	2.6
288.02692	1.1
289.07156	11.9
299.05637	1.8
317.17545	7.7
329.17682	1.3
379.19360	1.0
447.18097	0.9
451.10248	1.6
465.19058	1.4
479.20679	4.0
481.22269	8.1
482.22833	1.7
491.20694	2.8
504.52042	0.7
509.16901	2.7
541.19611	2.7
599.22809	16.5
600.23218	2.6
617.24030	6.8
618.23798	0.9
643.25879	3.7
769.33173	100.0
770.33551	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	769.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44801	1.7
57.03325	4.7
57.75272	1.6
59.01249	20.9
59.98186	1.8
61.98698	9.7
69.03313	2.0
69.44011	6.2
69.44435	7.2
71.01256	22.0
71.04890	3.3
72.99162	2.0
73.02820	4.3
80.02545	2.2
81.03318	4.5
83.01231	4.4
83.04891	10.1
84.02034	2.2
85.02818	12.0
87.00729	3.5
89.02310	7.4
93.03344	3.0
95.01240	2.5
95.04886	8.2
97.02827	4.2
97.06467	2.9
98.19709	3.8
98.33218	1.9
99.00742	2.9
101.02324	11.1
106.04124	3.3
107.04899	2.5
109.02836	2.5
109.06484	18.6
111.00754	2.9
111.04391	5.9
113.02322	6.7
119.03426	2.5
121.02784	2.2
123.04371	7.6
123.08021	3.3
125.02325	13.2
125.09608	4.2
125.90035	1.9
135.08018	3.3
137.02351	2.4
143.03508	2.3
149.09503	2.3
151.03889	8.2
151.07561	4.7
151.11128	3.1
153.05435	2.0
155.10664	2.2
161.02325	4.3
161.04442	3.2
163.11194	7.0
165.12704	2.9
167.10687	3.6
171.10179	50.3
177.01712	2.6
177.12692	4.4
179.10692	2.7
181.12285	3.7
185.11826	3.3
189.09090	2.1
189.12761	2.6
191.14337	3.2
195.13869	14.5
197.11769	4.6
201.11244	18.5
203.10643	4.2
203.14352	2.7
207.10220	12.4
209.11772	85.6
210.12097	4.2
211.13358	2.8
215.12848	3.4
221.11780	5.6
221.15382	3.0
223.13324	18.5
225.11275	22.3
227.12778	14.9
229.12297	2.9
235.08176	12.2
235.13342	8.1
237.14897	7.8
243.12354	3.2
245.19102	5.7
247.13397	16.0
253.09277	24.8
255.36879	1.9
261.18552	6.0
265.14398	7.0
284.03381	2.4
285.03925	2.6
287.16449	9.0
289.07147	5.1
289.18103	100.0
290.18384	7.4
291.19550	2.4
305.17593	26.6
307.19244	8.9
309.20880	2.4
327.21704	12.7
331.19122	3.1
365.06323	2.3
405.83441	2.7
461.20114	3.0
515.30341	2.6
525.26959	2.9
600.13733	2.2
711.35065	2.7
715.37012	2.3
733.39081	2.4
751.38721	3.0
769.40540	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	770.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60809	0.6
61.98702	100.0
64.27747	0.6
71.53890	0.6
80.96401	3.1
94.97964	1.3
101.19907	0.6
121.25797	0.6
131.54745	0.7
154.11797	0.8
440.85754	0.7
771.39520	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	771.1992
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
56.89658	1.2
58.52161	1.3
60.56609	1.3
62.62792	1.3
69.47256	9.7
89.94661	1.4
98.19730	1.3
107.01265	1.7
107.10606	1.2
107.84566	1.6
109.02871	1.3
125.02311	1.6
137.02327	1.3
151.00293	7.8
167.85056	1.2
178.99788	4.0
199.03957	3.4
215.03461	2.0
226.02634	1.6
227.03517	3.4
243.02867	4.0
255.02914	6.0
271.02493	58.6
272.02753	5.4
289.07108	2.2
299.01981	100.0
300.02652	35.5
301.03537	40.8
302.03696	2.3
313.03595	1.9
313.95911	1.3
343.04782	1.7
343.09695	1.4
358.33630	1.4
462.08014	12.5
462.62683	1.4
463.08636	7.2
496.84802	1.6
609.14630	34.4
610.14923	4.8
771.19824	49.6
772.20416	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	771.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.5
57.03325	1.4
59.01254	100.0
60.01584	1.0
62.36806	0.3
63.02258	0.9
65.00201	1.8
66.62439	0.4
71.01259	11.0
71.25183	0.9
72.81467	0.4
72.99218	0.4
73.02824	4.5
80.73952	0.4
81.03337	0.5
83.01261	2.6
85.02827	5.1
87.00762	0.6
89.02316	3.8
91.01806	0.6
93.03334	0.5
95.01282	1.1
96.95918	0.4
99.00772	2.3
101.02335	9.0
107.01262	4.0
108.02065	1.2
109.02846	2.6
111.00799	0.4
112.67379	0.4
113.02338	4.9
119.01303	0.5
121.02853	2.7
123.04440	0.9
125.02340	4.1
131.03413	0.7
133.02875	0.6
135.00783	0.6
137.02365	0.6
137.87218	0.4
145.02849	0.5
148.01588	0.9
149.02356	0.9
149.04480	2.0
151.00284	13.6
152.00624	0.4
159.02959	1.0
159.04399	0.7
161.02361	1.5
161.04480	5.1
163.00293	2.2
163.03909	0.6
164.01030	0.6
169.01405	1.0
171.04448	0.6
175.03970	0.6
177.01910	0.9
178.99788	7.2
183.04443	0.5
187.03943	1.1
191.05579	0.8
193.01312	0.5
201.05542	0.5
203.03554	0.5
209.04604	0.5
211.03870	0.4
215.03513	0.6
216.04134	0.6
226.02737	1.2
227.03503	2.0
229.05009	0.8
243.02994	7.2
245.04512	1.8
247.06384	0.5
254.02211	1.4
255.00255	0.5
255.02971	16.8
256.03342	1.3
269.10321	10.2
271.02484	33.2
272.02924	2.9
273.04047	1.3
283.02530	1.4
285.04120	0.5
289.07370	1.8
299.02057	1.1
300.02756	47.1
301.03519	33.2
301.08612	0.6
302.03958	2.2
311.11380	4.5
319.08066	0.4
371.07581	0.9
407.07858	0.7
415.15933	2.3
425.09094	0.6
481.11502	0.5
541.19006	0.5
542.22162	0.4
771.19885	42.0
772.20294	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	771.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.9
57.03325	0.6
59.01252	100.0
60.01588	1.2
65.00196	0.5
67.87966	0.2
69.47232	1.2
69.47639	0.5
71.01254	10.1
72.99195	0.3
73.02823	3.9
81.61874	0.3
83.01250	2.3
85.02825	5.2
87.00756	0.2
89.02319	4.1
95.01286	0.7
97.02856	0.4
99.00764	2.7
101.02322	9.5
107.01280	0.7
107.99299	0.3
108.02111	0.3
109.02865	0.5
113.02324	4.5
120.97081	0.3
121.02803	0.6
123.04395	0.4
125.02360	0.9
131.03400	0.5
141.55536	0.3
143.03448	0.3
149.04427	2.7
151.00267	3.3
159.02898	1.0
161.02396	0.4
161.04472	4.2
163.00331	0.7
164.01096	0.3
168.94922	0.2
178.99776	2.0
191.05579	0.7
193.01219	0.3
199.03960	0.5
209.99318	0.3
227.03517	0.6
229.05199	0.4
243.02968	1.5
245.04617	0.3
247.06610	0.2
254.02177	0.3
255.02979	4.2
256.03305	0.4
269.10327	10.5
270.10648	0.8
271.02493	8.5
271.05453	0.4
272.02893	1.0
299.01855	0.4
300.02737	12.5
301.03488	10.6
301.06952	0.5
302.03909	0.9
311.11359	6.1
312.11465	0.4
355.10318	0.3
415.16016	2.0
771.19879	12.9
772.20129	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	771.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.2
57.20395	0.4
59.01249	4.3
61.98700	9.4
69.03336	0.7
70.37346	0.4
71.01258	5.6
71.04877	1.7
72.99165	0.6
73.02818	0.9
80.02535	1.4
81.03336	1.2
83.01257	1.0
83.04897	5.7
84.02016	1.1
85.02808	1.3
85.06441	0.6
87.00731	0.6
87.04382	0.4
89.02317	2.5
91.05382	0.5
91.41518	0.4
91.87194	0.4
93.03354	1.1
95.01247	0.7
95.04910	1.1
96.95905	1.1
97.02821	1.5
97.06467	1.0
99.00716	0.4
99.07986	0.4
101.02319	3.8
107.04877	0.6
109.06467	8.0
113.02347	2.4
113.05964	0.5
116.92783	0.7
117.73421	0.5
119.04928	0.6
121.02831	0.9
123.04403	0.8
125.02319	1.3
125.05992	1.2
127.07583	1.1
129.01776	0.5
133.05000	0.5
134.03603	0.4
135.07993	0.7
137.02315	0.7
138.03127	0.5
145.02867	0.8
145.04973	0.5
147.11728	0.4
153.05453	1.0
153.12753	0.6
161.02263	0.6
161.04475	1.4
163.03876	0.8
163.11206	4.5
165.12744	2.2
167.10796	0.5
169.12186	0.9
171.10178	1.5
177.01907	0.5
179.05624	0.4
181.12218	1.6
183.13843	1.3
191.10687	0.9
193.05011	0.5
193.12218	0.6
197.11768	15.6
198.12263	0.4
199.13338	1.2
201.11195	0.6
207.10233	0.9
209.11765	100.0
210.12114	5.0
211.13319	10.2
212.13672	0.4
215.75107	0.4
225.11263	1.0
227.12839	13.3
228.13142	0.9
228.73138	0.4
235.08226	3.5
235.13383	2.6
237.14914	1.0
249.14928	0.7
253.09256	13.2
255.03079	0.8
267.15942	0.5
269.04395	0.6
271.02612	0.8
285.04016	1.2
289.07391	0.9
289.18164	2.2
299.01883	1.0
300.02676	1.0
307.19202	3.0
309.20587	0.9
315.05099	0.8
318.53278	0.4
325.20187	36.2
326.20486	3.9
347.11639	0.7
365.16180	0.8
395.90665	0.4
403.62436	0.4
445.20996	0.8
543.28662	0.4
561.29303	1.6
582.62262	0.5
649.15997	0.5
743.91681	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.1
56.43597	1.3
57.03314	4.3
58.00465	2.0
59.00957	1.2
59.01251	19.2
61.98681	2.4
64.94083	1.0
67.01750	1.3
69.03324	5.2
69.82254	2.8
71.01254	43.5
71.04877	1.9
72.01573	1.2
72.99165	2.4
73.02823	7.7
80.02535	1.2
81.03334	3.0
83.01252	2.6
83.04922	6.5
84.02029	1.9
84.85338	1.1
85.02827	7.8
87.00774	6.2
89.02330	5.5
91.03902	1.2
93.03294	1.3
95.01263	2.1
95.04899	4.3
96.95875	3.9
97.02837	11.9
97.06472	3.8
99.00741	2.9
99.04314	1.2
101.02327	13.7
107.04891	1.5
109.02798	1.1
109.06480	11.7
111.00757	1.9
111.04429	1.4
111.08020	3.4
113.02312	6.7
119.03372	1.8
121.06477	1.3
123.04408	1.7
125.02388	1.8
125.05933	1.7
125.09603	8.4
127.11163	4.6
135.08070	1.8
137.09581	4.7
139.07584	1.3
139.11096	1.4
143.03384	2.5
145.04997	1.7
149.09595	2.0
151.11185	2.4
153.05487	1.0
153.09041	1.1
153.12816	1.3
155.10643	2.8
160.70502	0.9
161.04451	4.1
161.09636	2.3
163.11212	15.7
165.09129	2.1
165.12753	10.2
169.12288	2.0
171.10193	96.9
172.10516	4.1
179.05547	1.7
179.10638	2.3
179.14343	1.3
181.12286	9.7
183.10243	1.7
183.13771	1.2
185.11769	8.2
189.09131	2.5
191.10637	2.4
191.14290	2.2
197.11792	14.4
198.79651	1.3
199.09726	2.1
199.13399	2.6
201.11270	42.8
202.11626	2.3
207.10214	36.2
209.11787	56.2
210.12151	4.0
211.13345	7.3
215.12837	5.9
223.13365	2.3
225.11288	67.9
225.53177	1.0
226.11633	4.9
227.12857	11.3
235.08136	11.2
243.12314	5.7
244.12776	1.1
245.19000	4.1
247.20590	4.0
253.09254	33.7
254.09662	1.2
273.18591	2.9
274.91870	1.1
289.18118	9.3
291.19659	57.5
292.20041	5.2
293.21164	3.8
295.10315	2.5
307.19107	6.2
308.19427	1.3
309.20712	100.0
310.21066	10.8
407.19165	2.0
443.19052	3.7
461.20337	10.7
462.20090	2.0
479.21384	1.6
545.29547	1.8
753.41168	6.2
771.41254	5.2
772.41791	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	772.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35744	0.2
57.01593	0.2
57.29715	0.2
59.01229	0.2
61.98704	100.0
71.01247	0.3
71.20763	0.2
73.02826	0.3
90.86049	0.2
96.95923	0.4
99.92483	0.7
116.92750	6.7
116.97154	0.4
117.01881	0.3
117.92753	2.5
118.92574	0.2
125.02359	0.3
147.59424	0.2
164.91992	0.2
197.11780	0.3
221.60999	0.2
294.21664	0.3
300.41840	0.2
526.27411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00969	0.7
57.27995	0.6
59.01271	0.8
61.68452	0.7
63.02271	1.4
65.00197	1.4
71.01254	1.2
71.53790	0.7
83.01258	1.4
91.01752	0.8
93.03380	1.2
107.01270	3.3
108.02056	1.3
108.42226	0.8
109.02870	6.3
117.03349	1.0
119.04915	17.9
120.68078	0.9
121.02842	3.2
123.00808	0.8
123.04350	1.0
123.51659	0.7
125.02341	4.2
133.02850	2.3
135.00760	1.7
137.02339	1.2
139.03979	1.1
147.00734	0.7
148.01558	2.1
151.00269	14.2
151.03879	2.2
161.02342	3.3
163.00288	2.7
163.03935	1.5
164.01045	0.9
175.03899	0.8
176.00949	0.8
177.01886	6.8
178.99777	7.5
183.04427	1.5
185.06137	0.9
187.03925	2.6
188.01059	0.9
189.01862	2.9
190.02596	1.9
192.00517	1.0
199.03937	2.1
201.01872	1.0
201.05609	1.0
203.03462	1.1
205.01390	1.3
211.03922	3.7
215.03487	1.8
225.05569	1.5
226.02698	2.4
227.03491	4.9
227.07062	1.0
228.03928	1.1
229.05121	4.0
237.05537	1.0
239.03345	1.8
240.04135	1.5
241.04988	1.4
242.02200	0.8
243.02956	13.2
244.03542	1.3
245.04515	1.2
247.06149	1.0
253.04985	3.8
254.02170	2.8
255.02965	26.6
255.06065	1.2
255.06657	1.1
256.03464	3.2
257.04507	1.2
266.02325	0.8
267.02945	2.3
269.04654	4.6
270.05188	2.2
271.02472	62.7
272.02927	8.5
273.03958	1.7
281.04568	5.4
282.01749	1.2
283.02475	11.1
283.05811	1.3
284.03000	2.0
285.04056	1.1
287.05453	0.9
297.03998	6.7
298.04678	2.6
299.01987	19.5
299.05313	1.4
300.02737	100.0
301.03455	43.5
302.03937	2.3
310.04797	3.2
311.01913	2.3
311.05524	2.7
312.02530	0.9
313.03510	1.0
315.04977	0.8
326.04297	25.3
327.05060	13.3
328.05365	1.5
343.04501	1.1
348.42303	0.8
391.08154	1.4
405.05991	1.4
420.08340	3.4
446.06540	1.7
447.06989	1.8
465.07962	1.2
593.14630	0.9
609.14581	90.4
610.14844	13.6
619.16168	1.8
635.16229	19.6
636.16388	3.2
755.18274	2.6
773.19312	38.2
774.19769	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	773.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	0.3
60.95948	0.2
61.98701	1.1
64.81085	0.2
71.01257	1.3
75.00730	0.2
77.68849	0.2
78.95778	7.7
79.95608	2.7
94.97961	0.3
96.95893	100.0
96.96797	8.4
97.95828	0.4
98.02363	0.9
101.02354	0.2
107.78049	0.2
118.96508	0.3
171.10187	1.0
171.69781	0.2
201.11398	0.2
207.10399	0.4
211.13405	0.2
225.11269	0.4
277.21515	0.4
293.21317	0.6
311.22263	0.4
397.13174	0.5
417.63483	0.3
435.08206	0.3
453.09186	0.8
523.68756	0.2
666.39520	0.2
713.30737	0.9
723.98810	0.2
765.14423	0.2
773.44373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25191	0.3
59.01259	0.7
61.98703	1.1
71.01250	0.9
78.95779	7.6
79.95608	2.7
87.00741	0.3
96.95896	100.0
96.96808	11.1
98.19815	1.0
125.02319	0.4
125.61046	0.3
209.11848	0.8
266.17426	0.3
277.21713	0.5
278.33832	0.3
328.31958	0.3
355.51865	0.3
397.13348	0.5
398.45343	0.4
435.08270	0.6
453.09384	0.7
713.30701	0.7
767.17627	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.6
59.01250	4.5
61.98703	15.9
69.03332	1.6
71.01256	5.4
71.53536	0.6
72.99174	0.5
73.02814	1.5
74.10622	0.4
76.00874	0.4
76.78412	0.4
80.02556	1.0
81.03333	1.3
83.01276	1.0
83.04898	5.9
84.02061	0.8
85.02825	6.9
85.52667	0.4
86.51649	0.4
87.00762	1.0
88.98699	1.1
89.02330	4.0
95.01291	0.7
95.04913	0.6
96.95898	1.3
97.02833	0.9
97.06464	1.8
99.00739	0.5
99.92461	0.5
101.02314	4.2
111.04401	0.5
113.02344	3.0
116.92753	2.6
119.03402	1.3
123.04436	1.1
123.07922	0.4
125.02344	2.2
125.05972	0.7
125.09598	0.9
127.11207	0.5
137.02370	0.7
137.09666	2.0
145.04990	0.8
149.02425	0.5
151.03943	0.8
153.05479	0.5
154.05659	0.4
155.10678	0.7
155.14355	0.6
159.53767	0.4
161.02373	0.7
161.04503	1.9
163.11183	3.2
164.01144	0.4
165.01904	0.7
165.12788	2.7
171.10194	17.5
172.10536	0.7
175.03949	0.7
179.05576	0.4
181.12242	0.6
183.13834	1.5
185.11775	0.7
191.10687	0.6
193.12262	0.6
195.06622	0.6
197.11835	0.6
201.11179	0.7
205.04941	0.6
209.11775	100.0
210.12148	5.5
211.13341	8.1
212.13759	0.7
221.11743	1.4
227.12843	13.1
229.14430	5.8
235.08208	7.2
239.12819	1.2
253.09276	17.0
254.09726	0.6
289.07111	0.6
291.19672	2.8
309.20740	6.8
310.21057	0.4
327.21771	64.2
328.22134	5.2
359.28171	0.6
373.26028	0.5
445.20883	1.6
519.33240	1.2
545.29749	1.4
563.30817	2.9
564.30872	0.5
773.42267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	5.5
70.10362	7.5
70.10710	3.7
71.01244	3.3
77.16891	2.2
98.20424	3.6
101.02325	3.0
195.13766	3.1
209.11781	83.2
210.12047	3.4
227.12868	20.3
253.09248	15.5
275.20300	4.8
293.21219	100.0
294.21567	10.3
346.82578	2.5
409.14502	2.5
416.98862	2.7
445.20731	7.0
529.30286	6.3
775.40259	31.9
776.40411	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	779.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.7
59.01248	5.1
61.98704	88.3
69.46399	7.9
71.01247	3.5
73.02823	1.9
80.04929	1.3
83.01253	2.5
87.00729	1.8
87.32461	1.0
88.98676	4.0
89.02325	2.0
93.03336	6.1
95.01227	1.2
96.95887	2.0
97.02842	1.7
101.02305	1.5
103.91878	1.3
108.02027	2.6
109.02858	3.9
111.00781	1.3
116.92743	1.4
119.04903	1.2
121.02854	10.3
121.43553	1.1
122.03644	16.9
123.00800	3.0
123.04417	4.7
124.01571	1.3
125.02342	8.5
133.02867	2.4
134.03561	1.4
135.04410	2.0
136.01559	37.6
136.02560	2.3
137.02403	10.0
139.03932	2.0
143.04962	1.1
145.02829	2.0
146.03632	1.8
147.04474	1.4
149.02342	38.3
149.05952	1.9
150.03133	100.0
151.00313	7.2
151.03926	42.6
152.04300	1.6
160.01575	1.8
161.02370	3.2
162.03210	1.8
163.03963	2.8
164.04720	9.8
165.01805	3.2
165.05486	95.9
166.02629	20.8
166.05820	4.8
167.03358	2.3
171.10234	2.1
175.02557	1.4
175.03836	6.4
176.04507	1.3
177.01830	3.3
177.05525	2.8
178.02592	1.8
179.03450	2.4
179.07053	3.6
180.04202	7.6
181.04991	23.4
189.05467	2.8
190.06303	2.1
193.04958	2.8
195.06557	71.8
196.06912	4.2
205.05011	3.8
206.05719	1.8
209.11830	4.8
217.05139	1.2
238.06342	1.6
255.06580	1.3
269.08197	2.3
270.08957	2.2
289.07175	3.2
297.07678	1.3
298.08438	1.4
299.09195	1.5
313.10739	3.3
329.10199	3.7
341.06519	1.4
342.11057	2.1
343.11832	37.4
344.12289	3.0
356.79425	1.4
357.09680	10.7
357.13449	16.5
358.10397	1.8
372.12027	6.6
373.12848	14.7
387.14517	67.1
388.14758	8.0
391.13870	3.6
505.19012	1.9
535.19739	17.9
536.20331	1.6
583.21869	4.7
731.26703	2.0
779.29138	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	779.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95723	1.5
67.98421	1.4
68.97007	1.5
69.83098	7.8
71.01256	8.2
78.98466	6.6
79.95601	14.3
80.96396	82.6
85.02808	2.7
87.00761	3.8
94.97974	17.9
101.02355	3.1
106.97990	3.5
118.59214	1.5
122.97457	3.6
125.02353	2.8
134.97484	5.9
136.99101	1.4
145.49931	1.6
148.99039	4.9
152.98520	5.7
164.98503	11.7
206.99504	2.5
215.75232	1.6
225.00682	21.6
333.36526	1.6
358.90881	1.8
509.17087	3.2
779.42566	100.0
780.42780	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	779.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29634	0.4
57.03307	0.5
58.44266	0.3
59.01255	19.2
61.98709	5.6
69.03331	1.8
69.71106	0.3
71.01297	3.6
71.01679	0.7
71.04888	0.8
73.02850	0.4
78.95795	1.3
80.96398	2.0
83.04884	0.5
85.02833	0.6
85.06470	0.4
87.00770	0.4
89.02307	1.9
93.03333	0.4
94.97978	0.8
95.01298	0.4
96.96865	0.4
101.02328	3.2
109.06510	0.6
113.02354	1.0
119.03408	0.4
142.13382	0.4
143.03374	0.6
149.09619	0.5
150.27577	0.4
150.63405	0.5
152.99405	0.4
161.04521	1.3
164.98550	0.6
167.10701	3.0
177.12790	0.9
179.05516	1.0
179.10706	1.1
179.14326	2.7
195.13850	9.8
196.14214	0.8
205.12277	9.4
206.12633	0.8
207.10139	0.7
223.13354	100.0
224.13687	6.8
225.00711	0.9
225.11267	0.6
235.08278	2.1
237.27011	0.4
241.01233	0.4
253.09277	8.7
255.23257	1.0
275.62909	0.4
277.21722	63.2
278.22092	6.0
303.14569	0.4
382.16293	0.4
441.21298	2.5
459.22369	16.0
460.22607	1.7
513.30597	0.7
719.43542	1.5
779.39484	4.8
779.53296	0.6
780.39380	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57182	0.5
58.48524	0.6
59.01231	0.9
61.98701	1.3
66.79446	0.6
71.01246	2.7
73.02818	1.0
73.35452	0.5
78.95777	55.0
78.98441	1.6
79.95603	7.8
80.02534	1.0
80.95908	1.0
80.96390	20.7
81.03320	1.7
83.04891	6.3
84.02020	1.4
85.02798	0.9
87.00766	0.7
90.79369	0.6
94.97949	4.7
96.96842	11.7
100.96706	0.6
106.97961	1.0
109.06466	0.8
119.66576	0.6
121.52664	0.6
122.97449	1.4
125.02361	1.1
134.97481	1.4
135.08012	1.1
136.99013	0.7
148.98973	1.8
152.98524	1.3
152.99509	12.9
153.88405	0.5
163.11217	4.4
164.98582	3.9
165.12732	2.2
171.00505	0.6
181.12305	1.0
191.10686	0.9
206.99631	0.6
209.11766	47.4
209.84814	0.6
210.12096	2.4
223.00066	3.4
225.00700	8.8
227.12813	3.7
227.86771	0.6
241.01144	27.2
242.01517	1.0
255.23271	30.6
256.23532	2.8
259.02075	1.7
297.03741	1.5
300.13614	0.6
315.04959	1.6
363.12180	1.7
391.22464	1.5
525.16888	1.3
553.27820	1.3
571.28784	0.7
763.40381	3.3
781.41187	100.0
782.41541	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	781.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.9
59.01253	16.5
61.98697	2.6
69.03343	0.9
69.82195	2.5
69.82606	1.2
71.01266	6.6
71.04887	1.3
73.02821	1.6
74.93267	0.7
76.58216	0.7
78.98460	1.6
79.95609	3.1
80.96392	16.3
85.02827	1.5
87.00751	1.7
89.02332	2.2
94.70132	0.8
94.97951	3.6
97.02830	6.2
97.06487	1.4
99.00757	8.5
101.02335	2.9
106.97963	0.9
109.06496	2.1
110.03600	1.3
113.02324	1.6
120.04053	0.7
122.46506	0.7
122.97506	0.9
125.02350	1.6
125.09605	3.4
134.97522	1.2
135.08107	1.3
142.02647	1.9
148.99046	1.7
152.98492	0.8
161.04543	0.8
163.11208	8.2
164.98581	3.5
168.63144	0.8
181.10788	1.3
181.12288	17.5
182.12604	1.4
199.13440	1.2
207.10220	47.0
208.10626	2.3
225.00797	4.2
225.11285	100.0
226.11568	6.0
235.08214	1.9
243.12366	10.0
253.09267	3.2
277.21729	79.8
278.22043	6.8
299.15018	1.3
361.54211	1.0
375.29477	0.9
443.19360	3.9
461.20316	38.8
462.20651	4.5
525.16101	1.0
605.29449	1.1
694.10077	0.9
721.41528	26.3
722.41779	5.6
781.40558	22.0
782.40485	4.3
795.24701	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01444	0.5
59.01250	11.6
61.98703	1.8
63.80009	0.4
69.03308	0.5
71.01254	4.4
71.04905	0.6
73.02832	0.9
78.40512	0.5
78.95773	1.6
78.98457	0.9
79.95617	3.2
80.96390	11.2
83.01257	0.6
83.04906	1.0
85.02835	1.4
87.00751	1.2
89.02360	1.2
94.97981	3.3
95.01285	0.5
96.14822	0.4
97.02843	4.1
97.06496	0.8
99.00757	6.6
101.02329	2.6
106.97971	0.6
109.06438	0.5
110.03637	0.8
113.02312	0.8
119.03381	0.5
125.02365	1.3
125.09604	2.2
134.97444	0.8
136.05183	1.1
138.04407	0.5
142.02641	1.6
148.99071	1.0
152.98459	0.9
152.99548	0.7
161.04468	1.4
163.11197	5.0
164.98550	2.5
171.53146	0.5
181.12268	7.9
199.13383	1.0
207.10207	26.7
208.10548	1.3
209.11806	1.2
225.00676	4.3
225.11279	53.8
226.11665	3.1
235.08287	3.4
241.01175	0.6
243.12372	6.0
253.09300	3.7
255.23152	1.6
267.70624	0.5
277.21722	100.0
278.22061	6.6
347.54218	0.5
443.19098	4.6
461.20303	6.9
462.20639	0.9
513.30853	0.6
636.21570	0.6
721.41644	19.9
722.41882	4.6
729.11902	0.6
781.40613	18.8
782.40961	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	782.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.1
59.01253	0.4
61.98704	100.0
68.32312	0.1
71.01273	0.3
71.91458	0.1
72.99214	0.2
74.92216	0.1
83.47701	0.2
86.76237	0.1
88.98709	0.4
96.95909	0.3
123.04447	0.2
125.02389	0.4
126.90330	0.2
137.02356	0.2
151.03868	0.2
153.05670	0.2
193.05090	0.1
250.27362	0.2
273.17245	0.2
377.11218	0.1
452.23822	0.1
547.05225	0.1
782.44635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	1.8
59.01237	10.8
61.98701	8.5
70.03204	6.0
71.01235	2.8
75.61696	1.6
76.07157	1.9
89.02332	3.6
101.02324	4.3
104.93797	1.7
105.57578	1.8
113.02309	2.0
125.02324	8.8
139.40483	1.8
151.03943	2.2
183.13841	7.5
195.13744	5.0
208.42635	1.9
209.11790	13.8
211.13345	100.0
212.13661	7.6
220.46034	1.9
223.13333	3.3
235.08165	3.0
253.09238	15.2
275.20096	3.9
277.21722	5.1
289.07040	2.1
293.18015	3.7
293.21228	64.6
293.24500	3.8
294.21548	5.3
374.44769	1.9
431.53778	1.8
447.22345	6.5
521.60211	1.9
783.42590	3.0
784.47546	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	784.361
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79641	0.2
59.01257	0.5
61.98704	100.0
66.56576	0.1
67.93264	0.2
70.63605	0.4
71.01260	0.3
71.27290	0.1
85.02850	0.1
88.98689	0.3
89.02341	0.4
93.03348	0.2
94.93320	0.1
96.95904	0.3
101.02332	0.2
101.36715	0.1
104.87514	0.1
109.02845	0.1
121.02842	0.2
123.04440	0.3
124.24787	0.1
125.02379	0.3
137.02379	0.3
138.00435	0.1
139.03929	0.2
144.53537	0.1
149.02385	0.2
151.03880	0.2
157.39513	0.1
158.32060	0.1
161.02298	0.2
165.05650	0.2
175.03915	0.2
207.06668	0.2
209.11945	0.3
213.33548	0.1
289.07214	0.2
314.07556	0.1
398.18695	0.2
401.91141	0.1
533.72278	0.2
784.38623	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.3
59.01251	0.6
61.98706	100.0
69.00687	0.2
71.01267	0.4
71.20937	0.2
85.02830	0.2
87.00761	0.2
88.98698	0.4
89.02317	0.3
95.04899	0.2
96.95897	0.4
97.02884	0.2
101.02362	0.2
117.08189	0.1
123.00784	0.2
123.04452	0.2
125.02362	0.6
134.03670	0.2
137.02386	0.3
139.03931	0.3
149.06113	0.2
151.03955	0.2
165.01875	0.1
171.10210	0.3
175.04071	0.2
179.03607	0.2
193.05072	0.2
195.78831	0.1
205.05113	0.2
209.11967	0.3
225.11299	0.2
285.04153	0.2
326.29166	0.1
357.26678	0.3
549.39056	0.2
784.42780	0.2
785.42560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.4
59.95693	0.4
61.98705	11.4
71.92085	0.4
72.36466	0.5
84.10373	0.4
91.01750	0.6
96.32828	0.4
101.02324	0.4
108.90036	0.5
109.02835	0.8
111.08120	0.5
113.02389	0.5
116.51126	0.5
120.02062	0.6
121.02850	100.0
122.03188	4.1
123.04364	0.6
125.02335	3.9
137.02386	0.8
151.03952	0.7
165.01859	2.9
176.76537	0.4
181.06531	2.3
191.03442	2.6
197.11789	3.3
209.04514	71.2
210.04828	4.6
225.05531	2.3
227.07605	0.5
289.07220	1.3
291.19656	0.6
308.93900	0.5
309.20700	1.2
313.07156	4.9
357.06207	2.1
390.51608	0.5
401.08798	10.6
402.09064	1.2
407.07700	0.5
549.10339	0.9
575.11713	0.7
638.27734	0.5
741.14862	0.6
785.16565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.2
59.79575	0.1
61.98705	100.0
62.98409	0.2
63.02251	0.2
64.12761	0.1
65.00208	0.1
66.16209	0.1
69.82146	0.6
83.01266	0.2
85.02811	0.1
93.03368	0.3
107.01270	0.2
109.02883	0.2
109.06440	0.1
117.03339	2.3
118.03731	0.1
119.04924	2.3
119.05731	0.2
120.05271	0.1
121.02775	0.1
123.04441	0.1
125.02313	0.1
131.04857	0.2
135.00801	0.1
145.02856	8.8
146.03185	0.3
151.00272	0.7
159.04434	0.4
162.03098	0.2
163.00357	0.2
163.03918	2.1
169.01282	0.1
171.04401	0.2
183.04503	0.2
185.06004	0.3
187.03947	1.4
189.05560	0.2
195.95023	0.1
197.06136	0.1
197.39128	0.1
199.03891	0.1
211.04047	0.2
213.05527	0.2
223.41667	0.1
225.11121	0.1
227.03468	1.5
229.05052	1.1
239.03487	0.2
241.05139	0.2
255.02979	3.1
255.05411	0.2
256.03650	0.4
257.04645	0.7
273.07736	0.4
283.02451	0.7
284.03275	3.3
285.04050	12.5
286.04416	0.8
291.08801	0.2
341.23367	0.2
419.11737	0.2
437.12405	3.6
438.13043	0.5
559.12531	0.4
577.13348	0.6
723.17151	7.5
724.17529	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	786.168
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
63.02266	0.4
80.13554	0.3
83.01258	0.5
93.03345	1.0
107.01262	0.9
109.02869	0.3
117.02551	0.5
117.03349	5.8
119.04072	0.3
119.04920	6.2
121.02860	0.7
131.04922	0.4
135.68593	0.3
145.02859	23.0
146.03207	1.1
151.00304	1.7
158.71724	0.3
159.04468	1.6
162.03200	0.5
163.00252	0.8
163.03923	6.5
169.01328	0.3
183.04462	0.6
185.06032	0.7
187.03937	4.2
199.03871	0.3
200.46407	0.3
201.05504	0.3
203.67023	0.3
211.03976	0.7
213.05522	0.8
227.03453	4.5
228.03931	0.4
229.05031	3.6
239.03484	0.6
241.05023	0.6
255.02982	9.0
256.03540	1.2
257.04572	1.9
267.02936	0.4
273.07675	1.1
283.02518	2.2
284.03250	8.5
285.04044	38.4
286.04364	2.6
291.08789	0.5
313.13770	0.3
437.12381	11.3
437.18356	0.6
438.12820	1.8
453.84698	0.3
467.33612	0.3
559.12805	1.0
577.13531	2.6
578.13580	0.5
723.17206	25.1
724.17621	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	786.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.6
60.48779	0.2
61.98704	100.0
62.98396	0.2
71.54057	0.3
78.95786	1.7
81.03381	0.2
83.04877	0.3
85.43651	0.2
108.92583	0.2
124.01624	0.2
125.02344	0.4
128.03450	0.2
178.99748	0.2
195.56041	0.2
196.93590	0.2
209.11772	2.7
227.12801	0.5
241.14424	0.5
243.03127	0.2
255.02853	0.3
271.02518	0.7
277.21735	2.2
286.28699	0.2
300.02856	0.9
301.03580	0.4
557.27954	0.2
673.47980	0.2
682.91132	0.2
712.42010	2.4
713.42493	0.5
723.30237	0.7
724.30493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
62.98405	0.2
71.01263	0.1
79.95589	0.1
80.96400	0.5
80.96861	0.1
94.98011	0.1
108.61116	0.0
140.01149	0.1
150.58470	0.0
165.93980	0.0
184.85587	0.0
203.22086	0.1
209.11823	0.1
210.12152	0.1
225.00813	0.1
277.21747	0.1
279.23172	0.1
381.08884	0.0
623.97900	0.0
636.44971	0.1
674.90588	0.1
787.39313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59271	0.1
56.14278	0.1
59.42859	0.1
61.98703	100.0
62.98402	0.2
62.99131	0.1
67.72050	0.1
70.30015	0.3
79.95613	0.1
80.96386	0.4
94.97980	0.2
142.65096	0.1
152.98459	0.1
164.98495	0.1
209.11827	0.1
258.65137	0.1
277.21985	0.1
279.23389	0.1
287.87296	0.1
326.62833	0.1
423.83832	0.1
571.57928	0.1
621.73956	0.1
787.39404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43421	0.5
59.01240	1.5
61.98706	26.8
63.96098	1.7
69.03319	0.7
70.44431	0.5
71.00890	1.0
71.01257	11.0
71.45615	0.8
72.99185	0.5
73.02811	2.0
78.95786	1.0
78.98469	8.1
79.95608	16.7
80.96393	96.4
81.03319	1.5
83.01279	0.7
83.04927	0.6
85.02823	4.1
87.00750	4.4
94.97379	1.2
94.97968	20.9
96.95877	1.5
97.02838	2.3
99.00748	0.8
101.02325	3.8
106.97974	4.7
109.89982	0.5
122.97472	3.9
125.02327	2.9
127.03914	1.4
134.97470	6.7
136.99059	1.8
138.96945	0.5
148.99045	8.2
151.15324	0.6
152.98541	8.0
164.98538	16.5
167.00166	0.6
188.98436	0.7
206.99675	3.1
209.11757	3.8
225.00697	22.5
226.00908	0.8
277.21649	1.7
278.22049	0.6
295.22644	1.0
311.22290	0.8
342.94440	0.6
486.81284	0.7
509.16870	1.4
527.62787	0.6
559.25726	1.6
714.43622	0.8
787.39429	100.0
788.39703	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	0.7
57.29683	0.5
58.00489	0.5
59.01249	4.6
61.98704	10.9
69.03340	0.6
69.48624	3.1
71.01256	4.5
73.02812	1.4
77.43446	0.5
80.02550	1.2
81.03331	1.3
83.01258	0.6
83.04901	5.0
84.02054	2.4
85.02819	1.6
87.00755	1.4
88.98686	1.5
89.02329	2.8
95.04924	0.8
96.95907	2.7
97.06480	4.8
97.26666	0.5
98.19824	1.0
99.04386	0.8
101.02336	4.0
113.02334	2.1
116.92738	0.5
123.04340	0.6
125.02337	1.1
125.06033	0.5
125.09610	1.0
135.08067	0.8
137.02396	0.7
137.09659	0.6
145.04984	0.6
149.02451	0.5
161.04474	2.0
163.11214	4.0
165.12767	2.4
171.10185	8.2
179.05682	0.5
181.12206	0.7
191.10652	0.7
193.12280	7.0
201.11314	1.4
207.10191	0.9
209.11780	100.0
210.12115	6.3
211.13414	2.7
225.11336	2.1
225.14922	9.5
226.15182	0.6
227.12852	11.3
228.13101	0.7
235.08200	5.5
243.15984	4.4
253.09251	13.9
253.14429	0.9
254.09529	0.8
291.19641	1.4
323.22235	1.1
325.20340	1.1
341.23325	67.6
342.23672	6.7
445.20819	1.0
456.02072	0.5
533.34955	2.5
577.32532	1.7
641.26648	0.5
787.42883	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	11.7
61.98699	7.7
65.29665	0.8
68.32349	0.8
71.01264	2.2
78.95778	16.3
78.98477	1.4
79.95614	2.6
80.02546	1.1
80.96393	13.5
81.03334	1.3
83.01270	1.0
83.04908	2.2
87.00738	0.8
94.97983	3.1
98.20563	2.5
101.02361	1.0
131.61218	0.8
133.16344	0.8
134.97495	1.6
148.99074	1.5
152.99561	2.1
163.11171	2.0
164.98537	2.6
168.04211	4.5
175.65077	1.0
209.11777	20.9
210.12129	1.7
223.13422	1.2
224.06955	1.8
225.00703	3.2
227.12883	3.5
241.14458	2.7
266.40396	1.0
279.23303	100.0
280.23654	8.8
306.95596	0.9
452.20718	2.0
579.05219	0.8
643.35907	1.1
714.43506	48.6
715.43787	14.4
728.45227	5.0
788.39673	15.9
789.39404	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	789.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03289	0.5
59.01221	0.6
65.00197	0.9
71.01252	0.9
72.99182	1.0
73.02822	1.2
75.00748	6.5
81.03278	0.9
85.02838	1.0
89.76742	0.4
96.11063	0.4
96.19746	0.4
99.04401	0.7
107.01265	1.7
108.02054	1.1
109.02866	1.0
119.04916	9.4
120.05270	0.7
121.02798	1.4
125.02373	0.6
134.93759	0.4
135.00749	0.5
143.03394	1.2
148.01566	0.8
151.00282	7.4
161.04459	2.4
163.00247	1.8
163.03926	14.6
164.04242	0.7
169.01334	0.7
178.99803	3.6
179.05537	17.4
180.05769	0.9
183.10260	0.4
187.03833	0.5
209.02946	0.6
211.03972	0.6
226.02693	1.0
227.03416	1.2
229.04991	0.6
239.03334	0.5
243.02960	6.3
245.04471	0.6
254.02208	1.6
255.00211	0.7
255.02957	15.1
256.03345	1.0
271.02478	32.0
272.02908	3.3
273.04086	0.8
283.02374	0.8
299.02060	1.0
300.02747	67.2
301.03464	28.7
302.04047	2.1
325.09274	12.7
326.09653	1.2
448.88651	0.5
463.08823	100.0
464.09128	12.4
464.15723	0.6
528.84692	0.5
789.21710	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	7.8
61.98706	24.6
63.73511	0.8
65.78194	0.8
69.03308	1.9
71.01262	5.3
72.99162	1.1
73.02806	0.9
78.53758	0.8
79.97958	0.8
83.01254	5.0
85.02824	1.8
86.70090	0.8
87.00762	1.5
88.98678	2.6
89.02314	3.5
93.03329	3.1
95.01266	2.4
95.04897	1.0
96.95901	1.9
97.02839	4.8
99.00755	0.9
101.02299	3.8
107.04924	0.9
108.02073	8.0
109.02832	11.1
113.02290	2.2
116.92743	4.7
117.03352	26.6
119.04925	19.0
120.05334	0.8
120.67566	1.0
121.02876	5.5
122.03642	9.4
123.00723	0.9
123.04415	9.8
124.01553	3.3
125.02335	6.4
133.01385	0.7
133.02861	1.4
133.06496	4.4
135.04390	3.2
136.01561	4.4
137.02345	35.8
137.75879	0.8
138.03084	1.3
139.03947	3.9
143.04793	1.0
145.02861	80.2
146.03162	2.0
147.04425	1.2
149.02350	6.1
149.06059	1.1
150.03137	3.7
151.03905	5.8
153.05424	1.3
154.02605	2.1
159.04420	2.8
160.01486	1.1
161.02383	7.1
161.06004	12.3
162.03113	3.0
163.00243	0.9
163.03922	18.5
164.01093	7.7
164.04536	1.1
165.01849	39.5
165.05489	1.6
166.02371	1.2
166.36816	0.8
167.03378	1.4
173.06017	1.4
175.03909	3.4
175.50841	0.8
177.05521	5.7
179.03445	6.6
181.04915	0.9
187.03911	3.4
189.01839	2.3
190.02615	2.5
193.05074	0.9
195.06639	1.2
201.05507	2.2
202.06157	1.0
203.06995	4.3
205.05023	17.9
206.05347	0.9
209.11707	1.6
217.01445	4.7
217.04996	1.3
231.02869	2.4
235.06088	1.8
244.07462	2.3
245.07919	1.2
247.06070	2.7
265.07233	5.1
271.06158	1.0
288.06308	1.9
289.07086	2.3
373.26175	1.1
375.27432	1.2
419.22177	4.7
433.04233	0.9
491.22903	1.3
563.24829	0.9
564.25275	0.9
583.25793	2.4
599.28833	2.2
611.83881	0.8
637.26459	15.4
638.26746	2.5
643.27368	2.1
670.43610	1.0
695.26611	2.8
745.32092	2.5
771.29327	1.3
789.31256	100.0
790.09137	1.0
790.31555	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	791.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.3
59.01247	0.8
61.98706	3.5
69.18800	1.5
70.91300	0.2
71.01253	0.5
73.02820	6.1
74.02346	0.5
75.00748	0.6
81.03337	0.2
87.00748	0.3
88.98687	0.5
89.02340	0.3
93.03356	0.4
99.00768	1.5
99.92466	9.0
100.62225	0.2
100.92490	0.4
101.02322	0.3
109.02845	0.3
113.02351	0.3
114.93298	0.4
116.03430	0.5
116.92750	100.0
117.01829	10.2
117.02814	0.2
117.03040	0.2
117.92761	5.8
119.24649	0.2
121.02856	0.6
122.03627	0.8
123.04417	0.7
125.02345	0.6
134.03651	0.6
134.81699	0.2
135.04408	0.2
136.01555	0.4
137.02373	0.9
138.03059	0.2
145.02884	0.5
149.02353	1.4
149.06003	0.3
150.03134	4.7
151.00296	0.3
151.03859	0.6
153.05528	0.3
159.02130	0.2
161.02336	0.6
161.06007	0.4
161.94043	0.2
162.03157	0.4
163.03958	0.4
164.04686	0.4
165.01874	0.6
165.05498	3.7
166.02629	0.4
175.03946	0.4
177.01947	0.2
177.05458	0.4
179.03464	0.5
179.07033	0.3
180.04231	0.5
181.04982	0.4
187.03905	0.2
188.04694	0.2
189.01753	0.3
193.05011	0.4
195.06538	2.9
205.05008	0.3
209.11743	1.4
245.08189	0.3
255.02872	0.2
285.04297	0.2
289.07211	0.7
327.21625	0.2
344.41342	0.2
392.97110	0.2
414.31958	0.2
417.15939	0.2
537.66089	0.2
565.20471	0.4
595.22083	0.6
659.95154	0.2
704.05115	0.2
731.55011	0.2
734.27893	0.2
743.27240	0.4
791.32599	0.2
792.28943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05815	8.6
59.01250	21.6
61.98706	100.0
63.16650	8.9
69.44890	59.5
97.01939	9.5
98.20518	20.5
101.14393	8.1
106.14720	9.2
116.92696	15.2
121.02869	12.8
123.04372	12.2
125.02338	37.8
131.88722	9.5
134.84109	9.8
137.02383	19.7
145.02887	22.1
147.69522	9.5
149.02353	10.0
150.03128	12.4
151.03928	15.3
161.02379	16.6
163.03969	12.2
167.03279	11.2
187.03992	11.3
209.11819	83.2
211.13210	9.9
226.52066	9.7
227.12839	25.0
253.09258	16.4
289.07175	12.9
291.19806	16.3
309.20758	65.9
315.05145	31.0
330.62015	9.1
652.99597	13.0
753.17847	11.9
791.39575	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88563	2.5
57.88864	2.6
59.01248	11.3
61.98716	16.1
69.29819	13.6
69.30224	5.0
71.01250	15.6
78.50569	2.3
81.03324	3.0
83.04903	3.8
85.02798	4.0
89.02322	3.2
95.04921	2.3
97.02824	3.4
101.02309	5.8
108.38468	2.8
109.06483	12.6
111.08069	4.1
113.02332	3.3
115.68874	2.2
123.04426	4.9
125.02331	10.8
151.03877	3.2
161.02356	2.3
163.08023	2.3
163.11226	6.7
171.10167	10.0
181.12248	4.5
185.11716	3.0
195.13799	7.1
201.11211	2.8
207.10217	37.8
208.10582	2.8
209.11787	73.2
210.12114	4.3
223.13310	4.2
225.11299	23.9
227.13007	12.7
227.14825	2.8
235.08107	5.7
253.09306	25.2
254.09772	2.7
275.20355	3.2
289.07147	2.6
289.76773	2.4
291.19681	100.0
292.20062	11.8
293.21219	48.5
294.21310	3.5
371.16318	2.8
461.20319	8.7
705.32623	10.2
706.33856	3.0
737.41266	6.8
791.39740	6.6
792.40955	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	791.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	93.8
67.34492	18.5
80.09007	19.7
90.95087	18.9
116.38240	18.4
209.11743	100.0
214.72607	18.4
253.09357	26.9
277.21689	70.2
279.19653	40.5
357.70239	21.3
560.64868	21.7
791.42749	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.2
59.01255	0.4
61.98695	0.7
69.20425	0.1
69.41899	1.1
73.02821	4.8
75.00752	0.5
80.96416	0.3
95.64138	0.1
97.14833	0.2
99.00762	1.3
99.92461	9.5
100.92474	0.4
103.89190	0.1
109.02869	0.2
111.65773	0.1
114.93317	0.7
116.92748	100.0
116.97113	1.8
117.01823	8.9
117.92757	5.4
123.04384	0.3
125.02341	1.0
151.03893	0.4
209.11865	0.2
277.21774	0.2
289.07236	0.3
618.51904	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32968	0.2
59.01239	0.4
61.98700	1.7
63.47127	0.1
65.84785	0.1
73.02819	8.9
74.03151	0.2
75.00746	1.0
80.01740	0.1
85.26701	0.1
88.50095	0.1
99.00742	1.7
99.92458	10.6
100.92469	0.4
114.93303	0.5
115.00194	0.2
116.03436	0.4
116.92745	100.0
116.97096	1.0
117.01819	15.0
117.05439	0.3
117.92754	4.8
118.02122	0.2
247.49117	0.1
277.21762	0.2
373.82108	0.2
397.13440	0.4
401.75232	0.2
415.14624	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98715	3.3
71.01247	9.5
71.53902	2.3
72.78532	1.9
78.95782	10.0
78.98464	9.6
79.95602	19.6
80.96389	100.0
85.02843	4.1
87.00740	2.8
88.71113	2.0
92.28930	1.9
94.97963	21.7
95.62801	1.9
96.95927	4.8
96.96836	2.5
98.89780	1.9
101.02331	3.0
106.97979	4.5
122.97507	8.1
125.02348	3.3
134.97495	7.2
136.99014	2.3
148.99065	6.9
152.98555	6.6
164.98528	16.5
206.99791	4.1
225.00687	24.4
225.02690	2.1
226.00899	2.2
241.01276	3.8
255.23300	6.0
308.02002	2.1
406.99844	2.0
537.27502	5.0
792.91687	3.4
793.51953	83.8
794.52625	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	795.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
58.92005	0.3
59.01236	0.9
60.99179	16.0
61.98707	8.8
62.92849	0.3
71.01257	1.2
71.54043	0.3
72.99192	0.5
73.61451	0.3
81.27003	0.2
83.01257	0.4
83.06519	0.2
87.00742	1.3
88.00271	1.5
88.98680	100.0
89.02312	4.1
89.99025	0.9
93.03333	0.3
95.01257	0.3
96.95914	0.5
101.02328	0.4
108.02071	0.3
109.02852	0.6
113.02348	0.3
116.92768	0.5
123.04391	1.6
125.02348	2.1
132.02055	0.3
137.02342	0.7
140.11453	0.2
149.02357	0.5
150.03123	1.0
151.03879	0.5
153.05489	0.5
159.04230	0.3
160.01657	0.3
161.02325	1.1
162.03030	0.3
163.03989	0.3
164.00946	0.4
165.01884	0.5
165.05470	0.8
171.10236	0.4
175.03894	0.6
193.05023	0.3
195.06625	0.6
201.11400	0.3
203.06909	0.4
209.11745	2.5
219.06567	0.3
240.38057	0.3
243.02980	0.3
245.08249	0.5
287.05362	0.3
289.07236	1.2
359.14716	0.4
577.41754	0.3
657.25702	0.3
711.35809	0.3
733.35413	0.3
795.39679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.4
63.84066	0.5
63.96104	1.0
70.28029	1.9
71.01256	10.4
73.02835	1.4
78.98468	7.9
79.95607	16.3
80.96393	93.3
81.03322	1.0
81.96295	0.6
83.01234	0.6
85.02834	3.7
87.00759	2.9
93.31840	0.6
94.97961	21.5
95.01275	0.7
96.95886	1.1
97.02829	1.8
99.00757	1.2
101.02285	3.2
106.97967	4.7
122.97449	4.6
125.02342	4.4
125.05102	0.6
127.03903	1.5
134.97490	7.2
136.99052	2.1
148.99048	8.8
152.98552	8.2
164.98544	19.7
165.98770	0.6
167.00006	0.6
206.99631	3.1
209.11769	2.1
217.08511	0.7
224.73419	0.7
225.00717	32.3
226.00914	0.8
255.23332	2.4
293.83618	0.7
314.49808	0.6
509.17328	0.6
537.27039	1.0
541.19592	3.9
542.19879	0.8
620.04187	0.7
726.24225	0.8
765.40833	1.0
797.43616	100.0
798.43921	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.1
59.12962	0.1
61.12141	0.1
61.98703	100.0
62.98386	0.2
64.35212	0.1
70.82814	0.2
70.83150	0.1
75.00754	0.1
90.96909	0.1
94.97974	0.1
119.98193	0.1
125.02334	0.2
154.98573	0.1
195.13731	0.1
223.13335	0.2
224.13759	0.2
289.07260	0.1
293.21262	0.2
294.21707	0.1
295.22034	0.1
439.19452	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	799.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02255	0.6
65.00204	1.0
69.89800	0.4
76.42474	0.4
83.01262	0.8
93.03330	1.2
96.95911	0.5
98.19842	1.0
107.01251	1.5
109.02843	0.6
117.03345	0.9
119.01228	0.4
119.04935	2.3
121.02814	0.5
123.04420	0.6
125.02357	1.3
133.02751	0.6
137.02332	0.8
147.00737	0.7
147.04356	0.6
149.02348	1.1
150.03119	1.2
151.00281	3.4
151.03940	0.7
155.04985	0.6
159.04369	0.6
161.02377	0.9
163.00285	0.8
163.03917	0.5
164.04665	0.5
165.01753	0.9
165.05443	0.6
169.01326	0.6
169.06506	0.7
171.04453	0.7
175.00273	2.4
176.00957	0.7
177.01787	0.4
178.05983	0.5
183.04388	1.1
185.02348	0.4
185.06012	1.3
187.03828	0.6
190.02614	5.5
191.03323	1.2
191.05348	0.7
193.65260	0.4
195.06502	0.4
199.03955	0.4
199.88118	0.4
205.05045	3.4
209.04495	0.8
211.03896	1.1
213.05507	0.9
215.03397	0.6
227.03427	8.1
228.03923	0.5
229.04941	1.0
239.03427	0.8
241.05043	0.6
243.02936	0.7
255.02974	21.6
256.03500	2.2
257.04480	0.8
267.68683	0.4
283.02475	15.2
284.03241	15.9
285.04031	100.0
286.04382	7.3
289.07095	0.5
299.05627	7.9
300.06064	0.7
327.05109	0.6
353.08795	3.1
366.20505	0.5
367.10376	0.6
431.09790	12.7
432.10141	1.8
445.86823	0.4
447.09009	0.7
559.28058	0.4
652.13953	0.8
653.15070	25.8
654.15417	4.0
654.26056	0.5
799.19745	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	799.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67168	1.7
59.01237	5.7
61.98706	25.7
70.73827	1.7
71.01254	2.7
72.82431	1.8
83.04906	5.1
83.33384	1.8
101.02329	2.9
119.91843	1.8
161.04501	2.3
163.11188	3.2
170.20648	2.2
198.70461	1.7
199.13290	3.4
209.11780	100.0
209.97231	1.8
210.12114	4.5
211.13406	1.8
227.10748	2.3
227.12769	11.5
235.08298	2.9
253.09370	9.1
293.21198	37.8
294.21545	5.6
296.60291	2.0
439.74750	2.1
445.20963	3.5
733.52563	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	799.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	14.5
60.67971	0.4
61.98715	0.6
64.16718	0.5
71.01259	2.6
71.96319	0.5
75.03997	0.5
78.95775	1.2
78.98032	0.5
78.98466	0.8
79.95618	1.6
80.96391	11.4
82.95985	0.6
87.00736	1.1
89.02328	1.3
91.15588	0.6
94.97945	2.0
95.01247	0.5
96.95901	0.7
101.02326	2.5
106.97976	0.4
113.02294	1.2
117.97147	0.5
118.47801	0.5
125.02288	0.6
133.53720	0.5
134.97473	0.9
148.99004	0.6
152.98535	0.9
161.04456	0.9
164.98515	2.3
183.13803	5.7
193.12247	1.3
203.40822	0.5
211.13342	100.0
212.13667	5.5
222.84900	0.5
225.00722	2.2
235.08267	1.4
253.09293	5.8
255.23256	0.6
277.21722	49.9
278.22101	4.1
293.25095	0.6
376.05194	0.6
405.44467	0.5
418.31012	0.6
429.21188	1.4
447.22336	8.3
448.22504	0.7
513.30780	0.6
635.51978	0.6
709.38910	2.4
710.38684	0.8
781.40808	2.5
799.42316	9.0
800.42377	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	800.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.2
59.01255	0.6
61.98706	100.0
62.98394	0.2
68.44244	0.1
71.01263	0.3
71.54372	0.1
73.02799	0.2
83.01279	0.1
85.02826	0.3
88.98721	0.2
89.02331	0.2
96.95928	0.4
101.02325	0.3
109.02837	0.2
113.02373	0.1
113.79110	0.1
116.92767	0.2
123.04412	1.8
124.04853	0.2
125.02364	0.5
134.03688	0.2
137.02287	0.3
145.02940	0.2
149.02354	0.2
151.03989	0.2
153.05502	1.3
154.05873	0.3
160.01596	0.2
161.02415	0.2
165.01866	0.3
175.03937	0.4
193.05043	0.2
205.05057	0.2
289.07303	0.2
303.80313	0.1
343.05060	0.1
373.25867	0.3
485.31021	0.2
508.07413	0.1
528.45447	0.1
801.31110	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87799	1.5
59.01231	2.8
61.98703	72.4
65.00208	3.2
71.01254	4.9
71.20515	2.3
83.01264	3.3
87.75253	1.7
88.98691	2.4
93.03296	2.5
101.21535	1.6
107.01253	4.6
109.02807	5.2
113.02507	1.5
117.03345	10.1
119.04924	12.7
121.02854	5.6
122.03639	1.9
123.04428	5.7
125.02346	9.3
133.02850	7.5
135.04446	10.1
137.02330	3.4
145.02859	25.6
146.03127	1.7
151.00246	16.8
151.03891	3.4
153.05501	2.5
154.81009	2.1
161.02347	17.4
162.06757	4.8
163.00299	2.6
163.03918	12.4
164.01163	2.7
167.73357	1.6
169.01329	2.0
173.05933	2.3
177.01727	2.3
178.99802	10.0
179.03394	7.2
185.06056	2.0
187.03946	4.2
199.03854	2.3
209.11858	1.8
211.13329	4.1
227.03506	9.4
229.04955	3.2
239.03291	1.7
243.03043	11.0
254.02100	2.9
255.02972	32.0
256.03433	2.1
257.04575	3.4
271.02463	52.0
272.02835	4.9
279.85107	1.9
283.02466	2.9
284.03323	10.6
285.04092	13.5
289.07056	4.6
299.01978	11.7
300.02762	74.9
301.03519	50.6
398.68320	1.9
593.12939	29.8
594.12787	5.2
739.16675	100.0
740.16998	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.8
59.01229	6.3
61.98706	30.5
65.00196	4.3
65.99879	1.7
71.01265	2.9
71.53634	3.2
72.99193	2.3
83.01261	3.0
88.98642	2.6
89.02301	2.3
93.03327	2.0
96.95914	3.3
107.01254	5.8
108.02032	2.4
109.02826	6.0
111.65214	1.8
117.03333	4.5
119.04932	13.5
121.02835	7.0
123.04395	6.4
125.02346	17.1
137.02333	3.9
139.03712	1.8
145.02846	18.9
149.02283	3.1
151.00287	26.2
151.03883	7.2
159.04376	2.6
161.02336	4.3
163.00279	6.0
163.03864	9.9
164.01051	3.3
165.01837	2.8
169.01266	3.9
175.03937	2.3
178.99765	13.5
187.03871	2.5
197.11696	3.3
199.03906	3.0
209.11729	2.9
211.13300	3.1
223.13464	2.5
226.02615	2.8
227.03386	6.1
243.02989	15.6
245.04518	2.7
255.02988	30.6
256.03479	2.3
271.02469	66.9
271.05487	3.5
272.02908	8.0
273.03864	2.3
275.08987	2.6
285.03995	2.0
289.07242	8.6
299.02060	15.5
300.02756	100.0
301.03491	67.3
302.03802	2.0
384.82947	2.3
397.13626	1.9
402.40616	2.1
407.07788	2.4
503.63144	2.3
556.27222	2.2
593.13055	25.7
594.13135	6.3
739.16742	86.1
740.17065	21.0
834.77014	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	802.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
62.98405	0.1
90.84647	0.1
93.04864	0.1
229.48830	0.1
265.84360	0.1
339.95828	0.1
461.48416	0.1
748.44287	0.1
803.38654	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	802.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68403	0.2
61.98703	100.0
77.62739	0.2
78.95799	0.3
79.95605	1.3
80.96400	1.9
94.97972	0.2
181.91658	0.2
192.55040	0.2
206.99689	0.3
209.11906	0.4
225.00725	0.4
242.34813	0.2
250.91887	0.2
277.21719	0.4
305.39139	0.2
321.27670	0.2
393.28394	0.2
785.38489	0.5
803.39545	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	100.0
65.40873	0.4
80.96416	1.0
82.12084	0.4
90.13973	0.4
91.62829	0.4
137.08423	0.4
148.72749	0.4
156.82240	0.4
157.78571	0.5
192.24364	0.4
202.90681	0.5
207.35997	0.4
211.13422	1.0
212.13673	0.9
229.64403	0.5
277.21841	1.1
278.22131	0.5
589.06274	0.5
732.20239	0.4
803.43909	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50185	0.2
57.03314	0.5
58.00480	0.4
59.01255	9.9
60.01605	0.3
60.99139	0.3
61.98416	0.4
61.98707	5.6
69.03329	0.9
71.01257	8.9
71.54396	0.3
72.99179	1.0
73.02814	1.8
75.00758	0.5
81.03339	0.3
83.01256	1.1
85.02827	2.3
87.00751	2.7
88.98692	0.7
89.02319	8.6
95.01259	0.8
96.95927	0.3
97.02834	1.3
99.00747	0.5
101.02330	8.6
109.02837	0.5
111.00695	0.3
113.02343	4.4
116.92745	0.4
119.03406	2.0
121.02839	0.5
123.04430	2.1
125.02351	3.3
139.03976	0.4
141.01822	0.4
143.03400	1.3
145.02832	0.3
151.00221	0.4
153.05490	1.4
161.02396	0.3
161.04428	1.7
165.01863	0.3
167.14342	0.7
179.05539	2.6
183.13841	7.5
184.14232	0.4
193.12274	2.0
199.06108	0.4
209.11697	0.3
211.13342	100.0
212.13678	5.2
214.95729	0.3
221.06587	0.6
235.08186	2.3
244.87505	0.2
253.09328	0.7
259.08234	0.5
285.04050	0.4
287.07690	0.8
289.07175	0.5
301.03525	0.6
305.08780	1.1
323.09766	0.5
341.23236	0.3
379.12512	3.3
397.13513	20.2
398.13998	1.3
398.38864	0.3
405.26920	0.4
415.14548	5.9
415.19849	0.5
416.14703	0.4
505.33923	0.9
515.41852	0.3
571.64490	0.3
591.26611	3.5
592.26782	0.5
596.41479	0.3
609.27777	3.9
610.27716	0.4
700.82550	0.3
741.18054	0.4
785.39948	1.0
803.41223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.4
59.65343	0.2
61.98705	100.0
62.98370	0.2
71.01274	0.2
71.54147	0.3
72.38534	0.2
78.38507	0.2
78.95795	0.6
79.95622	0.3
80.96387	1.2
107.17623	0.2
125.02368	0.5
125.31183	0.2
137.02361	0.2
209.11786	0.5
225.00769	0.2
241.01266	0.2
277.21817	0.4
285.04062	0.2
411.07275	0.3
447.30893	0.2
514.27118	0.2
517.29358	0.2
531.02826	0.2
736.35321	0.2
804.40540	0.7
805.40167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
63.99120	0.4
69.21696	0.6
69.22096	1.9
78.94402	0.3
78.95780	0.5
80.96428	0.4
92.57235	0.2
114.53851	0.2
125.02319	0.6
171.10175	0.3
207.07187	0.3
277.21664	0.4
288.96429	0.3
295.22800	0.2
702.86621	0.2
805.39368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.2
58.00466	0.1
59.01253	2.7
61.98709	0.7
69.03318	0.1
70.28393	0.3
71.01257	2.3
71.04895	0.1
73.02805	0.4
78.95744	0.1
79.95613	0.2
80.96384	0.2
83.01244	0.2
85.02817	0.5
87.00752	0.5
89.02325	1.9
91.03892	0.1
95.01258	0.2
95.04898	0.1
97.02852	0.2
97.06464	0.1
99.00764	0.1
101.02334	2.4
107.05025	0.1
111.08015	0.3
113.02321	0.9
113.09606	0.3
119.03387	0.5
121.10139	0.1
125.02261	0.1
141.09117	0.1
143.03391	0.3
161.04471	1.3
167.10742	0.3
169.12303	0.2
171.10233	0.6
177.12746	0.1
177.16306	0.1
179.05528	0.3
179.10724	0.2
179.14320	0.8
181.12201	0.2
195.13846	8.0
196.14476	0.6
202.94389	0.1
205.12285	0.7
205.15987	0.3
211.13359	0.5
223.13348	5.4
223.89235	0.1
224.13799	0.4
225.14984	0.2
228.13626	0.8
231.21179	0.4
232.21614	0.1
235.08238	0.7
249.22301	0.3
253.09271	16.7
254.09593	0.7
256.13153	1.2
257.19058	0.2
265.21768	0.4
275.20163	5.8
276.20438	0.6
293.21228	100.0
294.21561	8.7
317.76065	0.1
378.17056	0.1
412.45432	0.1
492.22189	0.4
529.30322	0.8
569.42090	1.3
570.42413	0.3
629.47119	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.7
58.52738	0.5
59.01257	1.5
59.27937	0.6
61.98702	47.3
71.01265	1.6
83.01263	0.8
85.02840	0.5
88.98710	0.6
93.02794	0.8
93.03316	5.0
95.01244	0.9
95.04951	0.6
96.95894	1.1
98.19800	0.9
101.02327	0.7
107.04926	0.6
108.02047	0.9
109.02839	2.2
116.92733	1.0
121.02859	8.0
122.03629	14.4
123.00780	1.3
123.04444	2.8
124.01605	1.0
125.02312	3.1
133.02837	2.5
134.03668	1.6
135.04385	0.7
136.01566	5.4
137.02351	6.3
138.02869	0.6
139.00233	0.7
144.77095	0.6
145.02943	1.3
146.03598	1.1
147.04411	0.8
149.02354	24.1
149.05966	1.1
150.03134	97.9
151.00290	2.1
151.03925	11.7
152.04321	0.5
153.01842	0.6
153.05519	0.8
154.02643	0.8
159.04382	0.7
161.02348	1.7
161.05966	0.7
162.03104	1.0
163.03911	0.7
164.01071	0.8
164.04739	4.2
165.01845	4.2
165.05487	100.0
166.02660	4.4
166.05788	3.8
167.03410	1.1
175.03941	2.1
177.01826	1.0
177.05493	2.0
179.03386	2.0
179.05630	0.7
179.07056	4.9
180.04250	7.4
181.04980	6.3
187.03973	0.9
190.02675	0.7
192.04115	0.7
193.04990	1.4
195.06564	73.5
195.26668	0.7
196.06943	3.7
203.07047	0.6
205.05017	2.8
219.06592	1.3
223.05943	0.6
225.07608	2.1
240.04008	0.7
387.10818	0.6
387.14667	6.2
402.13065	1.0
403.13980	1.3
417.15558	6.1
418.15851	1.3
535.19275	0.8
565.20752	13.3
566.20880	2.3
583.21497	0.6
595.21527	1.6
613.22931	3.1
713.25800	1.7
743.27496	0.9
761.27631	1.6
809.37561	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	809.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.7
59.01255	1.7
61.98703	14.3
69.71322	2.8
71.01273	1.8
72.92931	0.6
85.02885	0.7
88.98703	1.3
90.18193	0.5
93.03348	4.6
95.01302	0.8
95.04934	0.5
96.95918	1.9
97.02862	0.7
98.20445	0.9
107.04909	0.7
108.02044	1.0
109.02859	2.9
113.02319	0.6
116.92740	1.3
119.04931	0.7
121.02843	8.4
122.03637	17.0
123.00811	1.2
123.04429	4.7
124.01601	2.0
125.02342	3.9
132.02148	0.6
133.02870	2.2
134.03629	3.4
135.04427	1.4
136.01578	7.0
137.02350	7.9
138.03108	1.3
139.03926	0.7
145.02872	1.1
146.03636	1.9
147.04413	1.5
149.02351	32.4
149.06029	2.2
150.03136	100.0
151.00330	2.1
151.03932	20.7
152.01112	0.6
152.04538	1.1
153.01814	0.7
153.05518	1.0
161.02295	2.4
161.06055	1.2
162.03160	1.9
163.03896	1.1
164.01091	1.0
164.04716	6.8
165.01836	3.7
165.05490	96.6
166.02647	6.9
166.05829	3.9
167.03372	2.1
175.03912	1.4
176.01071	0.5
177.01917	1.1
177.05542	3.6
178.02657	0.9
178.35841	0.5
179.03424	1.5
179.07056	8.7
180.04192	7.0
181.05003	9.5
182.05386	0.6
187.03914	1.1
190.02574	0.9
192.04230	0.9
193.05008	2.2
195.06563	53.9
196.06995	3.1
205.05000	3.8
207.06480	0.9
219.06639	1.9
220.07330	1.5
289.07184	1.9
329.10269	1.1
373.13205	0.7
386.13593	0.8
387.10144	0.8
387.14780	3.4
403.13712	1.2
416.14432	0.7
417.15518	10.1
418.15787	1.4
525.88477	0.6
535.16339	0.8
549.03265	0.6
550.17877	0.8
564.20026	1.6
565.20770	22.7
566.21033	3.6
595.21808	3.7
613.22888	5.3
614.22882	0.8
619.21527	1.2
667.24072	0.7
713.25983	9.9
714.26709	2.8
725.25726	0.7
743.27045	3.2
761.27271	1.4
761.40472	0.6
782.78101	0.6
791.28345	0.8
795.73810	0.6
809.35999	2.9
810.30518	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	0.9
61.98707	2.8
69.28560	4.5
93.03326	4.5
95.01255	0.6
108.02061	0.5
109.02848	1.7
112.98879	0.5
113.02296	0.7
117.03407	0.5
119.04915	0.5
121.02848	6.2
121.46088	0.5
122.03629	15.4
123.04479	0.9
125.02386	1.0
132.02060	1.5
133.02867	1.5
134.03664	1.2
135.04454	0.5
136.01582	3.8
137.02339	4.7
138.03120	0.8
145.02797	1.3
146.03661	1.3
147.04404	0.8
149.02361	23.2
149.06021	1.3
150.03142	100.0
151.03932	8.5
152.01030	0.7
153.01903	0.5
153.05463	0.7
159.04387	0.6
160.01579	1.9
161.02385	1.1
161.06021	0.7
162.03134	1.0
163.03966	1.9
164.01056	0.8
164.04692	5.0
165.01846	19.2
165.05490	95.6
166.02380	0.9
166.05811	4.3
174.03221	0.6
175.03976	2.6
177.01749	0.6
177.05530	1.4
179.03477	4.6
179.07077	3.2
180.04216	18.2
181.04939	1.3
188.04710	1.2
189.05502	0.9
190.06308	2.8
191.07068	2.0
192.04155	1.0
192.69812	0.6
193.05019	1.7
194.05775	2.6
195.06570	91.6
196.06911	5.3
205.08640	2.0
206.05792	0.6
207.06529	2.1
208.07317	1.9
209.08046	0.6
210.05276	1.6
211.03856	0.8
223.09740	0.5
225.05438	1.0
225.07642	14.1
226.08090	0.9
233.08510	1.1
242.09428	1.3
246.09050	0.7
257.11911	1.2
258.09036	0.7
261.07480	0.7
269.08160	0.9
270.08951	4.3
281.04517	0.9
284.06818	1.3
285.08365	0.8
285.11197	3.5
286.08582	0.9
286.70059	0.6
289.07187	0.8
295.09705	0.8
296.07159	0.6
297.07693	0.8
298.08536	2.4
299.09229	3.6
301.10800	2.0
310.08530	1.5
311.09177	2.1
313.07568	0.7
313.10822	1.9
314.08002	5.4
324.10022	0.9
325.10776	1.9
326.07819	1.7
326.11536	1.8
327.08459	0.7
328.09525	1.0
328.13062	0.7
329.10300	10.9
330.10776	1.6
339.12399	0.7
341.10275	15.0
341.14313	0.9
342.10803	1.6
343.11798	2.3
344.12622	17.7
345.13217	2.1
356.12726	5.4
357.13416	0.9
358.14075	0.7
359.15015	46.7
360.15311	5.1
371.14990	29.5
372.15332	3.1
373.12903	6.7
374.13205	1.0
387.14297	0.5
389.16074	8.6
390.16425	1.3
421.14999	3.5
514.30927	0.6
537.21423	3.6
567.22363	18.1
568.22571	2.8
585.23370	3.1
597.23663	0.7
613.23358	0.9
615.24420	6.4
616.24695	1.8
669.24579	0.6
715.27277	1.5
763.29950	3.5
764.29895	0.6
766.18292	0.7
775.31866	0.7
811.30804	0.9
812.31464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.0
61.98434	0.8
61.98697	3.4
63.97456	0.5
67.09047	0.5
69.33266	4.1
69.42053	0.5
71.01284	0.8
71.42152	0.5
74.39720	0.5
89.02380	0.7
93.03329	4.0
93.89965	0.5
95.01281	0.7
95.04935	0.5
108.02090	1.0
109.02877	1.6
110.91859	0.5
111.00730	0.6
117.03444	0.6
121.02869	6.6
122.03645	16.2
123.00757	0.8
123.04475	2.3
124.01551	1.4
125.02412	2.3
132.02049	1.3
133.02867	2.9
134.03627	2.8
135.04527	1.0
136.01578	9.4
137.02391	3.3
138.03140	1.0
139.03926	0.8
145.02864	3.5
146.03645	2.8
147.04428	2.1
149.02364	30.6
149.06020	3.1
150.03148	100.0
151.03943	26.5
152.04355	1.6
153.01828	0.7
153.05495	1.0
153.71388	0.5
160.01599	1.1
161.02339	1.5
161.05994	1.3
162.03171	2.4
163.00085	0.5
163.03902	2.2
164.04729	6.3
165.01888	5.2
165.05498	89.7
166.02740	0.7
166.05875	4.0
168.04225	0.8
174.03148	0.7
175.03918	2.8
176.04643	1.0
177.01862	0.8
177.05492	4.3
177.09343	0.5
178.06133	0.6
179.03426	1.9
179.07095	5.7
180.04207	9.7
181.04945	2.2
187.03902	0.5
188.04709	0.6
189.01909	0.6
189.05489	1.4
190.02606	0.5
190.06279	2.6
191.03459	1.1
191.07013	2.8
192.04153	0.7
193.05013	2.6
194.05743	3.2
195.06575	47.3
196.06892	2.9
203.07057	1.4
205.05025	0.9
205.08629	2.9
206.05827	1.0
207.06534	3.4
208.07320	0.9
221.08167	0.9
223.06027	0.9
223.09457	0.6
225.07579	2.9
242.09441	0.7
251.09235	0.7
257.11758	0.6
270.08975	2.0
284.06888	1.0
285.08136	0.5
285.11362	2.0
286.08563	0.7
297.07663	0.8
298.08319	1.1
299.09311	1.7
301.10889	1.0
310.08142	0.5
311.09210	1.1
313.10840	1.2
314.07874	1.4
325.10727	1.2
326.07846	0.7
328.09296	0.8
328.13028	0.7
329.10260	6.2
330.10815	0.8
341.10382	6.9
343.11807	2.0
344.12637	8.9
345.12955	1.1
356.12659	2.2
357.13397	0.7
359.15045	16.2
360.15311	1.4
371.15033	10.0
372.15363	1.1
373.12915	7.2
374.13391	1.4
375.14294	0.5
389.16086	10.6
390.16406	1.1
421.14853	2.6
422.15152	0.7
432.68735	0.5
492.17859	0.7
537.21686	7.2
538.21967	1.2
567.22412	13.7
568.22473	2.2
585.23273	3.2
586.23553	0.9
597.22784	1.6
613.22430	1.0
614.23346	1.3
615.24622	4.6
616.23883	1.0
621.23474	0.7
669.25458	1.0
715.27753	7.7
716.27466	2.1
745.28894	4.1
746.29010	1.6
763.29828	3.4
764.29327	0.9
775.29401	0.7
793.29956	1.5
811.30878	1.3
812.31677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.8
59.23111	0.4
60.99181	18.6
61.98702	3.1
69.57745	0.3
71.53915	0.5
83.97169	0.4
88.98682	100.0
89.99025	0.8
96.95898	0.5
117.03365	0.7
119.04932	0.5
125.02253	0.4
143.57002	0.4
145.02872	3.2
157.48291	0.4
162.03188	0.3
163.03915	1.0
165.01825	0.4
166.93808	0.4
187.03969	1.0
197.62978	0.4
205.05182	0.5
227.03450	0.4
255.02896	1.2
284.03259	1.3
285.03998	5.2
286.04440	0.4
347.14954	0.5
437.12341	1.6
577.12823	0.4
585.95367	0.4
723.17194	4.7
724.17816	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	813.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.6
60.99181	17.2
61.98706	2.2
64.44771	0.3
71.09618	0.6
88.98680	100.0
89.99010	0.8
90.34950	0.3
96.95899	0.4
99.69649	0.3
107.04995	0.3
117.03339	0.5
117.43115	0.3
145.01785	0.3
145.02852	1.3
163.03931	0.6
190.02699	0.3
205.05034	0.7
227.03345	0.4
255.03008	0.4
257.04568	0.4
284.03226	0.9
285.04080	2.0
347.14685	0.5
347.36389	0.3
437.12411	0.6
616.00397	0.3
637.51843	0.3
723.17010	1.5
724.17090	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00458	1.0
59.01251	100.0
60.01588	1.3
61.65445	0.5
67.30564	0.5
69.03331	1.9
69.28123	4.5
71.01255	36.4
72.43107	0.7
72.99171	1.4
73.02820	38.3
74.03162	1.0
75.00725	1.3
83.01255	12.8
83.94228	0.5
85.02825	3.5
87.00774	1.4
89.02316	11.9
89.02831	0.8
91.09489	0.5
95.01285	1.5
97.02773	1.4
99.00783	1.9
99.04424	0.6
101.02328	35.9
113.02328	14.6
115.03929	0.8
119.03407	4.4
125.02338	5.1
131.03423	4.9
143.03415	5.0
148.05212	0.8
149.04549	8.3
149.05989	66.9
150.06329	3.2
155.03444	1.3
159.14397	0.5
159.85826	0.5
161.04474	13.0
165.05579	0.6
165.29622	0.5
171.79527	0.6
178.99954	0.6
184.99664	0.5
191.05603	2.1
199.33020	0.5
203.05615	1.9
221.06664	3.5
233.06735	2.5
293.08777	14.0
443.15607	10.3
444.16025	1.2
619.45605	0.6
782.87726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.428
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20771	0.3
60.99179	18.2
61.98691	1.0
71.53907	0.6
78.95753	0.4
79.95609	0.5
80.96438	0.5
87.00737	2.6
88.00278	3.6
88.55132	0.4
88.98679	100.0
89.02314	14.7
89.99013	1.1
151.69157	0.4
166.82191	0.4
200.62344	0.4
209.11739	2.6
277.21735	1.8
289.07025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99179	17.9
61.98691	0.7
64.39905	0.3
66.54710	0.4
74.83044	0.4
87.00741	2.3
88.00282	4.5
88.01096	0.5
88.54365	0.3
88.98682	100.0
89.02320	16.3
89.99033	1.5
90.02692	0.3
93.28754	0.4
98.20547	1.1
107.59731	0.3
115.27102	0.3
129.78215	0.4
195.24445	0.4
209.11835	1.6
260.87381	0.4
277.21780	2.6
343.48611	0.3
557.23474	0.5
653.73828	0.4
701.31506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.6
61.98705	100.0
62.51370	0.2
62.98383	0.3
71.01267	0.3
71.53706	0.3
75.00754	0.9
80.96390	1.6
85.02831	0.3
94.98000	0.4
101.95027	0.2
109.48041	0.2
125.02396	0.5
131.62085	0.2
164.98540	0.5
223.13449	0.3
224.04845	0.2
235.88300	0.2
254.40007	0.2
279.56989	0.3
627.12286	0.3
815.50128	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	815.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67683	1.2
58.53061	1.0
59.01258	6.1
61.98703	2.6
70.74062	4.0
71.01256	7.8
72.99210	1.4
75.00756	4.7
78.95776	17.6
78.98491	1.5
79.54184	1.2
79.95614	3.0
80.96391	13.6
83.04932	3.6
87.00740	1.8
89.02316	2.5
91.86929	1.0
94.97964	3.3
95.04923	1.9
96.96846	6.2
101.02324	1.8
113.02374	1.3
125.02380	1.8
148.99051	1.5
152.99522	4.3
161.04471	1.6
163.11200	3.5
164.98555	3.1
165.12750	1.8
171.10196	8.8
191.10869	1.2
207.10271	2.3
209.11775	100.0
210.12091	5.6
225.00670	1.9
225.11279	2.1
227.12823	11.2
235.08238	4.1
241.01221	10.5
253.09222	8.8
255.23306	12.6
256.23682	1.9
277.21722	78.9
278.21967	6.8
445.20801	2.2
606.06555	1.4
725.37854	5.9
726.39496	1.3
779.39557	3.7
788.67578	1.2
797.41101	11.4
798.41333	3.5
815.50793	7.5
816.51770	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	815.499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.6
60.02048	0.3
62.56186	0.4
63.96104	1.3
64.96902	0.4
69.03329	0.7
69.41967	2.6
71.01253	7.8
73.02821	1.3
78.98466	6.0
79.16820	0.4
79.95608	11.5
80.96393	70.6
81.03334	0.8
81.96358	0.4
85.02819	3.0
87.00755	2.3
94.97966	16.1
95.01255	0.4
96.95905	1.1
97.02841	1.6
98.20608	0.7
99.00788	0.7
100.09232	0.3
101.02337	2.6
103.80862	0.3
106.97971	3.0
113.02314	0.4
122.97453	2.8
125.02342	2.1
127.03911	0.5
134.96533	0.6
134.97473	4.9
136.99051	1.3
146.97485	0.4
148.99054	6.7
152.98550	5.2
164.98541	10.6
167.00194	0.4
188.98555	0.5
206.99663	3.1
225.00708	14.8
226.01013	0.4
236.93980	0.4
255.23212	1.0
277.21725	0.9
283.04660	0.5
537.27380	0.7
559.25745	1.4
815.49854	100.0
816.50165	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.5
59.01258	1.3
61.81752	0.4
61.98705	100.0
63.96110	1.0
69.03337	0.5
71.01257	5.0
72.99181	0.5
73.02833	1.1
78.98481	3.7
79.95606	8.3
79.96032	0.8
80.96394	41.6
81.03320	0.5
85.02834	1.7
87.00756	1.9
88.98691	1.0
93.26816	0.5
94.97965	9.9
96.95920	0.8
97.02824	0.9
97.46416	0.5
101.02319	1.4
106.97971	1.2
109.67025	0.5
117.03349	1.5
119.04919	1.1
122.97448	1.6
123.04371	0.5
125.02328	2.5
127.03940	0.5
134.97501	2.2
136.99031	0.7
145.02849	5.3
148.99046	2.9
151.00279	0.8
152.74518	0.4
152.98503	2.6
159.04477	0.6
163.03926	1.4
164.98546	5.6
175.03854	0.5
187.03987	0.5
188.98659	0.4
197.14082	0.4
206.99615	0.9
209.11743	1.0
211.13347	0.9
217.05377	0.4
225.00682	6.9
225.11435	0.4
227.13049	0.4
243.02934	0.9
255.02922	1.1
255.23418	0.7
269.60599	0.4
271.02457	1.7
285.04001	0.6
286.04404	0.5
299.01859	1.5
300.02792	3.0
306.85889	0.4
314.04282	1.0
315.05179	5.4
437.12534	3.0
448.54849	0.5
607.14221	0.8
742.28839	0.5
753.18176	3.9
754.18878	0.7
815.49872	26.4
816.50201	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.5
60.70430	0.2
61.98705	100.0
67.03894	0.3
71.01257	1.2
73.02821	0.3
78.98494	0.4
79.95620	1.0
80.96393	6.0
80.96851	0.4
87.00732	0.5
94.54774	0.3
94.97940	1.3
96.95901	0.3
122.97538	0.4
125.02354	0.6
134.97523	0.5
148.99068	0.7
149.02513	0.3
151.04005	0.2
152.98582	0.4
164.98598	0.8
181.97020	0.2
190.44418	0.2
195.57498	0.2
209.11784	0.3
209.69038	0.3
218.10519	0.3
225.00749	1.4
230.39400	0.2
279.59521	0.3
289.07498	0.3
815.49036	1.3
816.50311	5.2
817.51312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.8
61.98704	100.0
63.96073	0.2
70.06032	1.0
71.01256	1.9
73.02829	0.4
78.98461	0.7
79.46161	0.2
79.95609	2.1
80.96394	12.3
82.95975	0.4
85.02827	0.8
87.00762	0.3
89.02316	0.4
94.97964	2.5
96.95908	0.3
97.02828	0.4
101.02340	0.6
106.97990	0.5
109.06566	0.3
113.02369	0.4
122.36979	0.2
122.97491	0.5
123.04441	0.4
125.02348	0.8
125.64103	0.2
134.97479	0.8
136.99120	0.3
137.02341	0.4
148.99034	1.1
151.03917	0.4
152.98514	0.9
164.98534	1.6
165.98796	0.3
167.03296	0.3
176.27618	0.2
180.67853	0.2
206.99471	0.4
207.10187	0.6
211.13287	0.7
225.00697	1.8
225.11453	0.2
226.00880	0.3
255.23216	0.3
285.03906	0.3
286.23862	0.8
337.78906	0.2
348.09732	0.3
498.35983	0.3
677.72693	0.3
753.16187	0.3
799.38934	0.4
815.49585	1.6
816.50073	8.8
817.50562	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	817.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76762	0.1
59.01250	3.2
63.02265	0.4
65.00199	0.9
71.01255	1.1
71.54076	0.3
73.02821	1.0
83.01252	1.0
84.03575	0.1
85.02844	0.1
89.02325	0.3
91.01783	0.2
93.03331	0.3
95.01247	0.1
101.02312	0.9
101.02871	0.2
101.96563	0.1
107.01277	2.2
108.02073	0.8
109.02837	1.6
111.00745	0.2
113.02337	0.3
119.01266	0.2
119.03381	0.1
121.02850	2.1
124.01563	0.1
125.02323	0.4
131.03380	0.2
135.00774	0.5
137.02275	0.1
143.03392	0.2
143.04927	0.1
144.02321	0.1
147.00766	0.1
148.01555	0.8
149.02362	0.5
149.04457	0.2
151.00276	9.9
152.00700	0.3
153.01808	0.2
159.04422	0.4
161.04466	0.3
163.00298	2.4
164.01042	0.4
165.01889	0.2
167.04904	0.1
169.01302	0.6
174.03235	0.1
175.03963	0.2
178.98189	0.3
178.99786	4.8
180.00195	0.3
183.04427	0.6
185.06068	0.3
187.03889	0.6
189.05435	0.1
190.99788	0.3
191.05444	0.1
192.00560	0.4
195.04391	0.1
198.03156	0.2
199.03922	0.5
201.05467	0.3
203.03503	0.3
211.03973	1.2
213.05603	0.3
214.02678	0.2
215.03476	0.3
216.04262	0.5
217.04808	0.1
221.06786	0.2
226.02657	0.5
227.03459	7.0
228.03877	0.7
229.04973	1.2
239.03415	0.4
240.04071	0.2
243.02980	5.0
244.03476	0.5
245.04494	1.5
254.02087	1.0
255.02971	22.3
256.03455	2.2
257.04440	0.4
266.02161	0.2
271.02478	29.0
272.02945	2.7
273.03912	0.9
283.02420	1.2
284.03271	9.0
285.03989	3.1
286.04462	0.2
299.01968	0.4
300.02747	52.8
301.03488	40.7
302.03851	3.0
447.09311	100.0
448.09650	11.3
600.83008	0.1
619.39227	0.1
658.79498	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	817.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01579	1.0
60.16170	0.9
61.98705	80.1
69.03319	1.3
69.91132	3.5
71.01256	3.6
73.02821	1.3
77.30441	0.9
78.31479	0.8
78.95779	1.2
79.95618	1.7
80.96396	5.9
82.95959	1.1
87.00773	1.5
89.02306	2.5
94.97959	2.3
96.99192	2.0
97.02843	4.1
101.02370	1.7
113.02364	1.0
125.02324	2.4
139.00282	1.3
141.01614	56.2
151.48640	0.9
164.98590	1.0
179.87219	0.8
212.08276	0.9
225.00760	1.5
252.45329	0.8
277.21729	6.0
359.21857	4.5
397.13477	12.0
415.14551	2.7
419.11844	2.3
437.12802	3.8
469.06580	1.1
697.34216	2.4
730.94257	1.0
816.50494	1.8
817.37286	1.2
817.51251	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	817.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03352	0.7
57.43523	0.7
59.01252	100.0
61.98704	51.0
69.14163	0.7
71.01263	3.2
71.54224	0.8
73.38412	0.7
75.00760	1.1
78.95795	0.9
78.98486	0.8
79.95618	1.5
80.96397	5.6
83.01270	0.9
87.00758	1.0
89.02329	2.2
94.98009	1.4
97.02876	1.1
101.02341	1.6
104.70429	0.7
107.37565	0.6
113.02367	0.9
125.02331	3.9
141.01608	55.8
149.81564	0.7
151.03943	1.0
166.98114	0.8
169.32750	1.0
179.05492	1.0
197.11703	0.8
211.13205	0.8
235.08284	1.2
277.21658	6.9
289.07275	1.1
359.22153	3.0
360.22537	0.9
397.13535	11.6
398.14325	1.0
415.14755	2.1
419.11874	2.9
437.12775	4.4
649.21014	0.8
697.34747	2.2
816.50604	1.8
817.50568	5.1
818.49591	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.1
61.98705	100.0
62.98403	0.2
70.74316	0.2
71.01284	0.1
73.12125	0.1
75.00769	0.1
78.95803	0.3
80.96401	0.2
94.98000	0.1
125.02387	0.1
129.32202	0.1
137.47388	0.1
209.11909	0.2
211.13406	0.1
234.86879	0.1
241.01372	0.1
249.87950	0.1
256.80060	0.1
817.51099	0.1
818.50433	0.4
819.39606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.6
61.98705	100.0
62.98405	0.2
63.99152	0.1
67.24109	0.1
71.34150	0.2
71.54021	0.1
80.96373	0.6
81.66749	0.1
125.02350	0.4
137.02457	0.1
138.48557	0.1
141.01631	0.3
164.42627	0.2
201.59850	0.1
231.70663	0.1
340.43378	0.1
357.52103	0.2
520.07538	0.1
690.88593	0.1
817.52332	0.2
818.50629	0.4
819.53851	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.1
59.81149	0.1
60.30947	0.1
61.98704	100.0
62.98406	0.2
70.91468	0.1
70.91806	0.1
71.64383	0.1
74.67234	0.1
77.47333	0.1
79.32674	0.1
80.96408	0.2
125.02396	0.1
209.11803	0.1
277.22336	0.1
291.19824	0.1
437.00189	0.1
681.66193	0.1
687.61560	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	818.418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	100.0
62.98415	0.1
66.09684	0.1
70.12478	0.2
71.01248	0.3
71.53851	0.1
72.36534	0.1
78.94641	0.1
80.96395	1.1
81.36511	0.1
81.95208	0.2
82.95972	0.3
94.97974	0.7
98.29481	0.1
115.18649	0.1
121.02774	0.2
125.02356	0.4
129.16286	0.1
145.02873	0.2
163.04048	0.2
164.98621	0.2
192.82487	0.1
209.11742	0.2
211.13374	0.3
225.00885	0.2
241.66948	0.1
250.44429	0.1
250.47284	0.1
315.05136	0.2
438.13492	0.2
755.19556	0.2
764.46088	0.2
817.51337	0.5
818.51038	0.9
819.39264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47730	0.1
61.98704	100.0
62.98399	0.2
65.88544	0.1
69.99633	0.3
70.00053	0.2
72.39882	0.1
80.96403	0.3
184.45944	0.1
197.07819	0.1
209.11812	0.1
211.13326	0.1
329.23480	0.1
346.19455	0.1
364.55209	0.1
540.99921	0.1
818.50952	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.2
61.98703	100.0
62.98396	0.2
64.40496	0.1
65.93223	0.1
70.91754	0.1
70.92065	0.2
71.01255	0.2
80.96378	0.7
89.02304	0.1
94.98000	0.2
101.02336	0.2
113.02338	0.1
132.45589	0.1
163.11150	0.2
185.11691	0.1
191.14372	0.2
195.13893	0.1
209.11806	0.4
210.12212	0.1
223.13417	0.2
225.00716	0.2
245.19209	0.3
253.09196	0.5
277.21851	0.1
287.43222	0.1
289.18076	1.4
293.21194	1.7
307.19128	1.4
499.13409	0.1
514.94464	0.1
526.00854	0.1
737.54987	0.1
819.41650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	0.7
59.01251	14.7
60.99153	0.6
61.98705	14.8
63.51112	0.5
63.79962	0.5
69.03322	1.2
71.01257	14.9
71.20927	0.6
72.99184	1.7
73.02821	3.4
75.00734	0.6
78.15782	0.5
78.95771	0.6
79.33031	0.5
79.95609	0.9
80.02557	1.3
80.96387	1.7
81.03320	2.3
83.01258	1.8
83.04900	5.4
84.02047	0.9
85.02822	4.6
86.26436	0.5
87.00751	4.2
88.98683	1.5
89.02319	14.6
95.01272	1.3
95.04893	0.6
96.95872	0.7
97.02815	2.6
101.02322	11.8
101.02977	0.6
109.02832	0.7
111.04392	0.5
113.02334	6.9
116.92763	0.6
119.03407	3.3
121.02840	1.0
123.04397	1.1
125.02319	6.2
125.06012	0.6
134.03656	0.8
137.02338	1.3
139.03914	0.6
143.03392	1.4
145.02852	0.9
150.03041	0.6
151.03926	1.3
160.01599	0.7
161.04494	3.0
161.08621	0.5
163.03915	0.6
163.11159	3.8
165.01823	1.1
165.05515	0.6
165.12727	2.5
166.02559	0.6
167.03340	0.5
171.10106	0.7
179.05515	3.8
179.06906	0.8
181.12227	0.7
183.13835	5.4
186.35945	0.5
191.10646	1.2
193.05017	0.6
193.12224	1.6
194.64450	0.5
199.06073	0.6
199.13246	0.5
209.11778	100.0
210.12093	6.2
211.13341	74.3
212.13655	4.7
221.06648	1.1
227.12831	13.2
235.08179	4.6
249.14941	1.0
253.09122	0.7
259.08298	0.6
287.07767	0.8
289.07169	0.5
305.08713	1.5
323.09793	0.9
356.15372	0.5
357.26447	0.6
379.12436	5.1
397.13495	32.2
398.13824	3.0
415.14581	8.7
447.87354	0.5
497.27435	0.5
589.24756	0.7
591.26837	1.0
592.26868	0.6
607.26166	1.4
609.27710	1.7
783.38690	0.7
801.39478	1.0
819.53448	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.2
58.00470	1.2
58.94876	0.5
59.01254	17.7
60.99174	0.7
61.98706	10.5
69.03334	2.0
71.01253	19.4
71.46304	0.7
72.01173	0.4
72.01588	0.7
72.99189	1.4
73.02820	3.7
75.00750	1.0
79.95600	0.7
80.02541	1.5
80.96393	0.9
81.03331	2.2
83.01273	2.0
83.04900	5.3
84.02045	0.8
85.02835	4.0
87.00750	4.8
88.98676	3.4
89.02323	13.9
93.03359	0.7
95.01260	2.0
95.04907	0.8
97.02847	2.8
99.00759	0.9
101.02331	14.4
102.02641	0.5
109.02815	1.0
113.02334	6.2
116.92699	0.7
119.03391	3.6
123.04422	2.0
124.01548	0.7
125.02336	5.4
125.06025	0.5
126.02485	0.5
131.03349	1.0
134.03595	0.7
135.08115	0.8
137.02316	1.2
139.03967	0.8
143.03427	2.5
145.02829	0.6
151.03926	0.9
153.05492	1.0
160.01523	0.5
161.02460	0.6
161.04486	3.5
163.11177	3.3
165.01685	0.5
165.12775	2.9
167.03401	0.9
175.03894	0.7
179.05542	3.8
179.06880	0.8
181.12306	0.7
183.13824	6.5
191.10681	1.1
193.05093	0.7
193.12234	1.3
196.35335	0.4
199.06029	0.7
209.11780	100.0
210.12141	6.8
211.13342	90.8
212.13701	4.8
217.07237	0.6
221.06575	1.3
227.12843	16.4
228.13135	0.8
235.08228	4.6
253.09311	1.4
287.07767	1.5
289.07059	0.8
305.08765	1.5
323.09900	1.3
379.12408	6.0
397.13525	37.8
398.13892	2.9
415.14609	10.1
416.14764	0.8
490.18668	0.6
589.24762	0.8
591.26697	1.5
598.85272	0.5
607.25806	1.4
609.27747	3.5
610.27338	0.7
783.39398	0.9
819.40186	0.8
819.53326	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.5
61.98706	51.9
69.43257	0.4
70.69043	0.8
70.69376	0.5
71.01254	4.7
71.04904	1.5
73.02825	0.8
75.00767	0.6
78.95781	0.9
79.95593	0.5
80.96401	1.8
81.03342	1.2
83.01246	0.8
83.04909	0.9
85.02863	1.0
87.00764	0.7
89.02315	2.6
95.04922	0.7
97.02833	0.6
97.06438	0.5
99.55989	0.4
101.02330	3.6
106.04145	0.6
107.04916	0.4
109.06475	6.4
110.06840	0.5
111.00763	0.5
111.04397	1.9
111.08056	1.4
113.02338	2.7
119.03359	0.9
120.89818	0.4
123.08068	1.3
125.02339	0.7
127.07589	0.9
137.05995	0.6
137.09605	0.5
143.03435	0.6
143.10701	0.7
145.06555	1.2
149.09650	0.6
151.11230	0.4
153.09187	0.4
161.04469	2.2
167.10718	1.7
177.12738	0.8
179.10765	0.9
179.14291	1.0
181.12280	0.7
189.55275	0.4
195.13858	8.8
195.15565	0.8
196.14383	0.6
205.12428	0.5
209.11752	0.5
211.13298	0.5
223.13354	4.4
225.00612	0.7
228.13646	0.4
234.24591	0.4
235.08263	2.3
235.13477	0.7
241.14485	0.5
245.19118	4.4
253.09280	17.3
254.09755	0.5
256.13113	1.1
271.17081	1.2
273.14920	0.5
275.20139	4.6
276.20450	0.7
277.21805	0.6
278.21939	0.6
286.84747	0.4
287.16602	1.7
289.18100	100.0
290.18439	7.2
293.21231	82.4
294.21524	7.0
307.19138	4.4
308.19434	0.6
333.06403	0.4
492.21942	0.6
525.27106	3.6
526.27545	0.4
528.79041	0.4
529.29871	0.6
565.38959	0.6
668.21832	0.5
819.52429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.1
63.96119	2.2
67.81219	1.3
71.01255	10.3
71.53411	1.6
73.02821	3.5
78.95789	3.5
78.98479	9.2
79.95614	19.2
80.96391	100.0
81.03341	1.3
82.95980	10.6
85.02836	4.2
87.00767	2.9
88.29248	1.4
94.97968	20.7
96.95892	1.9
97.02828	1.9
101.02324	2.5
106.36443	1.2
106.97999	2.3
122.97475	4.4
125.02351	3.2
134.97481	5.7
148.99040	6.9
152.98546	5.6
154.98170	1.9
164.98534	8.4
166.98180	1.1
206.99660	3.2
225.00682	10.2
230.86957	1.3
255.23238	3.2
260.91306	1.8
563.28632	1.7
819.52722	72.2
820.53009	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	821.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.2
59.01244	2.8
60.77121	0.7
61.98705	4.5
67.01750	0.9
69.03318	0.9
69.28244	1.5
69.28649	5.1
71.01260	2.1
71.04898	1.9
75.00740	2.2
81.03334	1.6
83.01263	5.2
89.02338	1.1
89.35027	0.7
90.67902	0.7
93.03341	3.6
95.01259	1.3
95.04904	2.2
96.95875	1.4
97.02828	6.4
101.02322	0.9
105.03337	2.5
107.04918	2.3
108.02060	2.3
109.02841	41.9
110.03180	1.5
113.02328	0.9
119.04886	1.5
121.02859	5.9
122.03651	3.8
123.00807	1.2
123.04417	23.2
125.02351	6.7
133.02858	1.7
135.04407	3.5
136.01579	0.9
136.15251	0.8
137.02351	34.4
138.02771	0.9
139.02843	1.1
139.03914	17.3
145.02870	1.5
147.04427	6.8
149.02350	40.8
150.03116	5.5
151.00432	0.8
151.03926	25.1
152.04283	1.2
153.05435	0.9
153.81175	0.7
159.04425	2.3
161.01094	1.0
161.02370	10.0
161.05910	1.8
162.03033	2.0
162.79875	0.8
163.03929	5.0
164.01079	1.8
165.01874	5.1
165.05428	1.1
173.02280	1.4
173.06004	1.2
174.03088	1.1
175.03926	2.2
175.07507	0.8
176.01031	8.1
177.01848	17.2
177.05397	1.0
177.81538	0.7
178.02620	7.2
179.03404	6.2
181.04935	0.8
187.04092	1.6
187.07574	0.9
188.04826	1.1
189.01817	1.0
190.02707	1.6
191.03453	14.7
192.04150	2.6
196.05174	0.9
197.05984	4.8
201.05470	1.1
203.03458	2.4
203.07072	2.9
204.04245	0.9
205.04945	7.0
206.05832	1.2
213.05504	14.8
214.06107	1.0
215.07095	42.2
216.07437	2.5
216.63235	0.9
217.04965	1.1
219.06432	1.0
220.07358	1.1
227.07162	1.3
233.08084	1.4
239.07234	1.8
241.05095	1.0
245.08234	5.8
255.06599	2.6
257.08176	11.8
259.06122	1.1
269.12869	1.5
283.06204	1.6
289.07178	22.5
290.07620	0.8
301.07175	100.0
302.07498	8.4
303.08536	1.1
315.08740	9.3
316.09116	1.0
343.11768	1.8
357.13593	2.1
432.06970	1.1
463.12558	3.0
464.12485	0.8
535.16101	1.6
659.21350	52.0
660.21637	9.4
684.14398	0.9
754.84717	0.9
803.30707	1.4
821.26013	7.5
822.27777	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	821.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.3
59.01246	6.9
59.78422	0.8
61.98708	21.7
67.73235	0.9
71.01261	5.5
73.02819	1.0
78.95772	1.2
80.96410	2.8
84.09847	0.9
85.02847	0.9
85.06434	1.2
87.00784	1.5
89.02332	4.1
96.95863	1.7
97.02852	2.2
97.06457	1.4
98.19784	2.8
101.02293	3.8
103.52614	1.0
111.04431	1.1
111.08032	3.8
113.02324	3.5
126.21355	1.1
161.04446	2.2
169.12314	1.5
171.10176	2.9
181.12245	1.2
195.13808	10.9
196.14407	1.2
197.11766	12.9
198.12053	1.7
207.82843	1.2
211.13353	3.5
221.15483	1.9
223.13367	7.3
228.13719	1.2
229.42099	1.2
235.08267	3.5
247.20587	1.2
253.09291	27.7
254.09612	1.5
273.18582	1.2
275.20178	4.5
276.20557	1.1
291.19681	23.0
292.19882	1.2
293.21234	100.0
294.21619	9.4
309.20731	73.5
310.21124	6.6
492.22021	1.4
523.77924	1.2
545.29462	1.5
585.41028	3.1
682.43286	1.2
821.40552	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	821.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.9
58.00504	0.6
58.93460	0.6
59.01251	5.6
61.98705	16.8
69.03365	0.7
69.18600	1.7
69.19025	2.9
71.01254	5.6
73.02847	1.1
78.95821	0.7
80.96421	1.2
82.52236	0.4
82.95997	0.4
83.01299	0.7
83.04932	0.5
85.02873	1.4
87.00788	1.1
87.64383	0.5
89.02314	3.5
94.97983	0.5
96.95898	1.0
97.02879	0.5
97.06506	0.9
98.20505	1.0
99.00820	0.4
101.02333	4.8
108.07970	0.5
109.06503	0.8
111.08043	9.4
113.02329	2.4
113.43188	0.4
119.03407	0.6
125.02367	1.1
127.07554	1.1
143.03374	0.8
151.11189	0.7
153.12775	0.9
161.04396	2.4
167.10672	1.0
168.14612	0.5
169.12292	3.5
171.10229	1.2
177.12698	0.5
179.05537	0.9
179.14265	0.8
181.12308	1.3
183.13837	0.5
193.12300	0.6
195.13843	6.8
197.11772	43.3
198.12119	2.7
199.13333	2.6
205.12247	0.7
209.11784	0.9
211.13353	7.6
223.13338	5.6
224.13913	0.5
227.12840	1.2
228.13686	0.5
231.21042	0.6
235.08223	1.9
241.14383	0.5
253.09259	34.6
254.09639	1.7
256.13269	1.1
263.20126	3.7
265.18124	1.4
265.21655	0.9
273.18607	0.9
275.20154	6.4
275.22974	0.7
276.20480	1.1
279.23221	3.8
280.23660	1.1
291.19675	18.5
292.20187	2.8
293.21231	100.0
294.21582	9.9
307.19171	0.5
309.20709	71.0
310.21075	7.0
422.73911	0.5
527.28424	0.7
545.29364	1.6
585.41638	2.7
586.42029	0.9
674.83636	0.6
687.67059	0.6
729.44708	0.7
821.41058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.8
58.00465	0.6
59.01248	5.9
61.98703	14.5
69.03329	0.8
69.34595	2.1
71.01254	5.3
71.16606	0.3
72.99166	0.3
73.02818	1.0
73.31663	0.4
74.23821	0.3
74.50880	0.3
78.95815	0.4
80.96398	0.7
81.03365	0.3
82.95950	0.3
83.01296	0.8
83.04901	0.6
85.02827	1.2
87.00748	0.9
89.02315	4.1
95.01282	0.5
95.04906	0.5
96.95900	0.6
97.02802	1.5
98.19765	0.6
99.00801	0.3
101.02322	4.5
101.62817	0.3
103.96036	0.3
109.06468	0.5
111.08044	8.3
112.08384	0.4
113.02325	2.5
113.09590	0.3
119.03394	1.1
124.98641	0.3
125.02348	0.6
125.09597	0.8
127.07495	0.5
129.37297	0.3
131.03366	0.3
141.09149	0.5
143.03398	0.7
144.43028	0.3
149.09453	0.3
151.11189	0.4
153.09140	0.4
153.12764	0.9
161.04420	2.6
163.11223	0.5
165.12740	0.9
167.10692	0.5
169.12254	3.8
170.12547	0.3
171.10204	1.0
177.12801	0.7
179.05521	0.9
179.14297	0.8
181.12279	0.7
183.13838	0.9
193.12250	0.5
195.13838	7.7
195.15558	0.6
196.14406	0.7
197.11769	41.1
198.12105	1.8
198.88950	0.4
199.13344	2.3
205.12233	0.8
209.11755	0.7
211.13329	7.1
212.13625	0.4
223.13326	5.9
224.13931	0.6
225.14957	0.6
227.12856	1.3
228.13617	0.7
231.21046	0.4
235.08200	2.3
247.20615	1.1
249.14925	0.4
253.09265	28.4
254.09691	1.0
256.13202	1.1
263.20114	1.9
265.18118	1.1
273.18613	1.5
275.20129	6.5
276.20480	0.4
279.23340	0.4
280.23645	0.6
291.19672	23.1
292.20016	2.7
293.21222	100.0
294.21555	10.3
294.24191	0.2
309.20706	58.6
310.21063	6.3
433.20468	0.5
472.95166	0.4
492.22226	0.5
527.28778	0.7
529.30060	0.5
545.29504	1.7
585.41333	1.9
586.41583	0.5
711.46179	0.3
821.41095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	2.7
59.01252	9.6
61.98691	2.2
69.58213	0.9
71.01254	7.5
71.65366	1.0
73.02818	2.0
75.84884	1.0
78.25073	1.0
79.95651	1.1
80.96400	4.2
85.02818	1.9
87.00751	2.5
89.02312	4.4
93.95119	1.1
96.95911	1.1
98.20631	2.0
101.02330	7.3
103.94019	0.9
111.08044	11.3
113.02311	2.9
119.03399	1.1
132.72191	0.9
149.04494	1.0
161.04454	3.4
167.10646	1.8
177.12726	2.2
179.10759	1.8
179.14365	1.1
185.11714	5.8
195.13867	14.7
197.11760	1.4
209.11710	2.7
223.13367	6.5
228.13652	1.2
235.08205	3.4
247.20714	2.2
253.09256	17.0
255.23283	3.9
256.13138	1.7
273.18558	1.8
275.20126	10.8
277.21774	6.7
281.24850	1.3
289.18195	1.1
291.19672	100.0
292.19986	7.0
293.21231	97.2
294.21521	9.0
307.19138	1.0
309.20670	1.4
325.20197	2.1
326.21719	1.0
397.13220	1.5
821.44489	1.4
822.43787	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	823.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.1
61.98697	1.0
62.59122	0.5
69.03317	1.6
71.01250	8.9
71.04865	0.6
72.99189	1.1
73.02811	2.6
78.95774	0.5
80.96404	0.8
81.03316	0.6
83.01258	1.9
83.04881	0.7
83.47823	0.4
85.02348	0.6
85.02824	7.6
87.00746	2.0
89.02322	5.8
95.01272	1.0
96.95896	0.5
97.02824	1.8
97.06472	3.7
99.00734	0.6
101.02328	6.4
108.94872	0.5
109.23943	0.5
113.02331	5.4
119.03368	1.8
125.02349	1.1
125.09592	0.7
127.11162	1.5
128.33305	0.5
131.09966	0.5
133.04953	0.9
137.09589	1.6
138.37216	0.6
143.03369	0.9
145.04959	1.6
155.10640	1.8
157.05022	0.6
161.04489	3.7
165.12750	1.2
171.10187	17.3
172.10518	0.9
177.12634	0.6
179.05493	1.2
183.13882	3.2
185.11746	0.9
193.12260	1.2
195.13779	0.5
197.11786	1.2
201.11174	0.6
209.11778	1.4
211.11472	0.9
211.13356	14.7
211.62982	0.6
212.13699	1.3
216.41939	0.5
221.11801	2.1
229.14426	9.9
235.08189	15.6
239.12808	1.3
253.09273	29.4
254.09586	1.0
259.20508	0.6
277.21719	100.0
278.22073	8.2
291.19662	7.4
293.21228	1.4
295.22708	1.6
309.20728	17.6
310.21033	1.0
311.22293	1.8
327.21759	87.6
328.22113	7.8
502.68036	0.6
545.29828	2.9
563.31128	3.2
587.43170	2.2
828.87946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.3
60.99179	19.9
61.98693	2.4
69.10614	0.3
69.27709	2.5
78.95749	0.3
80.96398	0.8
87.00738	1.4
88.00275	2.5
88.98681	100.0
89.02322	6.9
89.99017	1.1
94.63660	0.3
98.20508	0.5
128.89320	0.3
201.99565	0.3
209.11798	2.2
219.02676	0.3
293.21237	1.1
349.63086	0.3
430.19016	0.3
471.38220	0.4
633.10077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99183	17.3
61.98702	3.0
70.58938	0.8
80.96417	0.4
87.00755	1.2
88.00293	2.5
88.98681	100.0
89.02317	5.6
89.99014	1.1
122.97467	0.5
125.02309	0.6
136.85117	0.4
137.69620	0.4
151.03928	0.5
209.11809	1.2
222.58897	0.4
233.87866	0.4
249.36617	0.5
293.21295	1.4
328.07440	0.4
348.39310	0.4
357.85123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.6
60.99183	0.4
61.98682	1.1
62.59237	0.4
71.01261	1.1
71.33578	0.5
82.01363	0.3
85.02828	0.7
85.96026	0.3
88.98674	0.9
89.02291	0.9
90.92720	0.3
101.02328	0.7
107.04909	0.8
113.02319	0.5
121.02939	0.4
121.10083	0.5
122.03633	0.8
125.02316	0.4
135.04416	24.8
136.04744	0.6
137.69191	0.4
141.06932	0.7
147.04442	0.9
150.06776	0.7
152.04704	0.5
155.11795	0.4
157.04877	0.4
159.04422	0.8
159.08073	2.4
160.05202	0.4
162.03104	0.5
162.06839	0.6
165.05476	0.5
169.06499	10.8
170.06940	0.5
171.10193	2.4
172.05232	3.6
173.06006	1.9
175.07570	0.5
177.05478	0.7
177.83151	0.4
185.06006	19.9
186.06522	1.4
187.07574	100.0
188.08281	12.7
189.08789	0.5
199.07558	0.5
201.09129	1.5
202.09929	32.2
203.10596	4.2
212.08270	0.5
213.09158	3.3
234.08939	18.5
235.09467	0.9
238.13602	0.5
241.12346	1.2
245.83803	0.4
253.09265	5.1
255.13913	1.3
256.14670	78.0
257.15018	5.5
269.15427	1.3
270.12634	7.4
271.17044	56.6
272.17401	4.2
277.21722	28.5
278.22177	2.2
285.14981	8.6
286.15161	0.8
303.16025	19.5
304.16373	1.7
315.15988	15.6
316.16208	1.4
372.82382	0.4
397.13943	0.7
450.05978	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68362	0.6
58.00463	1.2
59.01254	20.3
60.99169	0.7
61.98703	10.4
62.49065	0.5
69.03307	3.0
70.25953	0.5
71.01254	19.4
71.04875	0.7
71.46151	1.0
72.99180	2.2
73.02825	3.1
75.00748	0.9
78.95780	5.9
80.02563	1.1
81.03336	2.4
83.01255	2.2
83.04901	6.3
84.02031	1.1
85.02827	4.8
87.00751	4.7
88.98678	2.5
89.02319	14.6
93.03359	1.4
95.01276	1.6
95.04893	1.0
96.95887	0.9
96.96843	1.8
97.02829	2.5
99.00768	1.6
101.02323	14.9
109.02830	1.0
109.06446	0.8
111.04400	0.6
113.02340	8.0
119.03407	4.4
121.02817	0.7
123.04392	1.1
125.02333	6.4
131.03349	0.7
135.08034	1.0
137.02435	1.1
143.03407	3.1
150.03139	0.8
152.99493	1.8
161.04465	3.3
161.05774	0.6
163.11179	4.7
165.05571	0.9
165.12761	2.0
167.10701	3.4
177.12755	0.8
179.05533	5.2
179.10732	1.3
179.14331	2.0
181.12360	0.7
189.88005	0.6
191.10693	0.9
193.04926	1.1
195.13835	8.4
205.12320	7.5
206.12720	0.7
209.11780	100.0
210.12065	4.8
221.06630	2.0
223.13359	74.7
224.13646	3.1
227.12866	17.2
228.13214	0.7
235.08218	4.7
241.01210	3.1
253.09317	0.6
255.23337	4.7
261.14902	1.0
263.07690	0.6
277.21710	3.3
279.07587	0.6
287.07883	1.2
305.08795	1.2
379.12384	4.7
391.22638	1.0
397.13504	38.0
398.13879	2.4
415.14627	11.2
416.15085	0.8
589.24615	0.8
603.26746	2.2
621.27686	5.7
622.28430	0.9
813.38965	0.9
831.50476	8.8
831.64520	1.1
832.50964	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	831.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95495	0.6
58.00465	1.0
59.00949	0.8
59.01251	17.3
61.98704	14.2
69.03326	2.2
69.23619	2.7
69.24048	1.6
71.01255	16.4
71.04908	0.5
72.99171	1.5
73.02833	2.7
78.95779	5.7
80.02563	1.3
81.03329	2.5
83.01266	1.9
83.04901	6.1
84.02023	1.0
85.02816	4.2
87.00753	3.9
88.98684	1.9
89.02319	12.5
93.03308	0.8
95.01273	1.3
95.04927	0.9
96.96844	1.2
97.02829	1.9
99.00767	0.6
101.02320	10.4
102.02666	0.5
109.02808	0.8
109.06463	0.6
113.02338	7.1
119.03386	4.2
119.04842	0.6
123.04406	1.0
125.02348	6.6
125.05968	0.7
135.08063	0.7
137.02335	0.7
143.03392	2.0
143.17598	0.5
149.02321	0.6
150.03093	1.0
152.99475	1.5
161.02365	0.5
161.04491	3.3
163.11201	4.8
165.12782	2.6
167.03458	0.6
167.10696	1.9
171.10150	0.5
179.05533	4.7
179.10667	1.1
179.14325	1.9
181.04901	0.5
181.12231	0.8
191.10675	1.1
193.04974	0.6
195.06648	0.7
195.13841	5.6
199.48775	0.5
205.05060	0.6
205.10509	0.7
205.12270	5.2
209.11769	100.0
210.12122	6.4
217.07199	0.7
221.06705	1.2
223.13356	56.9
224.13695	3.2
227.12856	14.7
228.13309	1.0
235.08170	4.2
241.01152	2.5
251.12880	1.0
253.09349	0.9
255.23264	5.5
261.14920	1.0
277.21713	2.3
287.07764	1.2
305.08710	1.3
323.09796	0.8
379.12347	4.2
392.01901	0.6
397.13486	32.5
398.13907	3.1
415.14603	9.7
416.14749	1.1
603.26465	1.6
607.26270	2.3
617.33923	0.5
621.27606	2.0
622.27747	0.7
786.74756	0.5
795.39258	0.5
813.38422	0.7
831.38153	0.5
831.50574	5.8
832.50891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25202	0.5
61.98703	12.4
76.08887	0.5
78.95786	3.6
79.54919	0.6
81.17622	0.6
96.96838	0.7
107.04936	1.2
125.02338	1.4
135.04417	46.2
136.04782	1.7
140.76465	0.7
147.04478	0.7
152.99475	1.2
157.24518	0.6
159.04430	0.8
160.05125	1.3
171.08142	0.7
171.10013	0.6
174.06778	16.3
175.07510	4.1
189.09149	4.1
209.11690	1.2
241.01271	1.1
255.23309	1.7
258.16235	100.0
259.16541	9.4
273.18610	33.1
274.19073	3.1
277.21695	1.7
283.31613	0.7
289.07126	0.6
317.17578	52.4
318.17877	6.4
411.02014	0.7
488.10413	0.6
493.32632	0.7
605.35693	0.6
651.22675	0.7
751.71875	0.7
831.50226	3.2
832.50134	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.5
62.38595	1.0
70.53292	1.9
71.01290	1.2
78.95776	84.9
80.96399	5.9
94.97972	0.9
96.96270	1.7
96.96844	21.7
106.83947	0.9
114.79268	0.8
116.86092	0.8
135.70413	0.9
152.98323	1.9
152.99495	28.5
164.98595	0.8
223.00104	10.1
225.00664	1.0
241.01155	40.6
242.01637	1.7
255.23271	74.3
256.23672	5.7
259.02124	3.7
277.21729	48.1
277.24896	1.5
278.21979	4.8
297.03766	1.2
359.16855	1.0
391.22626	8.6
413.21161	1.9
553.27844	9.4
571.28522	1.5
575.26263	1.5
831.50299	100.0
832.50574	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	833.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
65.00211	1.2
69.03339	1.2
70.71070	0.7
70.78527	0.7
70.94254	1.6
71.01257	38.9
72.99185	2.6
73.02823	39.4
75.00748	1.9
81.03338	0.8
83.01260	14.4
85.02827	5.5
87.00787	2.5
89.02328	15.4
95.01299	1.7
97.02842	0.9
97.11666	0.7
101.02326	41.0
101.30915	0.7
107.01272	1.8
109.02838	1.6
109.93227	0.9
110.00011	3.2
111.00784	2.1
113.02335	15.5
118.93449	0.7
119.03394	4.8
121.02808	1.3
124.01608	1.2
125.02360	2.6
131.03412	8.9
133.02809	0.7
133.86746	0.6
136.98752	0.7
137.02315	1.2
137.99516	1.8
139.00285	6.7
143.03409	4.0
147.02977	0.8
149.04469	17.3
151.00293	4.2
151.70650	0.8
155.03407	1.3
161.02495	1.4
161.04466	15.6
163.00272	1.9
165.98985	4.5
166.99846	2.2
178.99753	4.0
191.05602	3.2
194.99388	2.0
196.32407	0.8
199.03960	1.2
200.21928	0.7
203.05568	2.6
221.06606	5.8
227.03474	1.8
243.02921	3.9
244.03816	0.8
251.07742	0.8
255.02997	5.2
270.01678	2.0
271.02502	19.7
272.02859	1.9
281.10330	1.0
287.02023	7.9
299.01950	7.4
300.02765	20.4
301.03500	14.8
316.02243	26.2
317.02982	23.7
318.03455	2.3
331.17029	0.9
341.12482	2.1
447.09302	38.3
448.09537	5.5
463.08795	81.9
464.09079	8.2
638.35345	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	0.9
59.01254	100.0
63.40495	0.7
65.00172	0.8
66.81656	0.7
69.03336	1.9
69.52867	4.3
71.01255	40.4
72.01602	0.9
72.99183	1.8
73.00061	0.6
73.02821	38.9
74.03162	0.7
75.00768	0.9
83.01260	14.0
83.08276	0.7
85.02828	5.7
85.03264	0.8
87.00759	1.0
89.02318	14.6
95.01276	1.2
97.02872	0.7
99.00764	1.2
101.02328	45.7
102.43153	0.7
107.01266	1.3
109.02837	1.4
110.00009	2.4
111.00788	1.8
113.02332	14.3
119.03376	5.9
121.02850	0.8
123.34163	0.8
125.02367	2.8
131.03406	9.7
133.02875	2.1
134.59416	0.8
135.04465	1.0
137.02452	1.1
137.99504	0.8
139.00311	5.0
141.87393	0.8
143.03429	5.5
149.04468	17.6
151.00269	4.8
155.03360	1.4
158.41780	0.8
161.02469	4.0
161.04480	16.0
162.04921	0.8
163.00278	1.6
164.00980	0.7
165.98969	4.0
166.99809	1.3
175.03844	0.7
178.99768	4.0
179.03465	0.8
191.05591	2.9
199.04053	0.8
203.03735	0.7
203.05649	2.4
221.06621	5.3
227.03537	1.8
243.03065	3.0
255.03006	3.7
268.35870	0.7
270.01740	1.7
271.02475	14.0
272.03036	1.5
273.03870	0.8
287.01999	4.5
288.02774	0.9
299.01883	3.6
300.02777	14.8
301.03510	12.9
302.04019	1.9
316.02237	22.2
316.05688	1.5
317.02948	19.0
318.03381	1.8
445.07840	0.9
447.09341	20.2
448.09671	3.7
463.08624	39.9
464.08771	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	833.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.5
61.98706	3.1
67.18342	0.2
68.99685	0.2
69.03319	0.8
71.01256	2.0
71.25661	0.5
72.99164	0.3
73.02805	0.8
78.95778	0.9
81.03327	0.5
83.01256	0.5
83.04893	0.8
84.02031	0.2
85.02824	3.8
87.00736	0.5
88.98678	0.5
89.02316	0.9
93.03308	0.3
95.01250	0.3
95.04893	0.5
97.02826	1.0
97.06461	2.5
99.00742	0.5
101.02314	1.2
107.04897	0.2
107.88474	0.2
109.02818	0.4
109.06468	0.8
111.00806	0.2
113.02366	0.4
116.92745	2.2
119.08538	0.3
121.02890	0.3
123.04416	1.3
123.08056	0.5
125.02339	4.7
125.09608	0.9
126.02659	0.3
127.11198	0.9
133.49243	0.2
134.03673	0.2
135.08005	0.3
137.02339	0.7
137.09619	1.0
139.03873	0.2
145.02861	0.3
149.02386	0.6
150.03104	0.3
151.03961	0.5
152.99500	0.3
153.05447	0.9
155.10678	0.5
155.14235	0.4
160.01595	0.3
161.02319	0.3
161.04456	0.3
163.00241	0.5
163.11162	0.8
165.01894	0.5
165.05505	0.5
165.12756	0.8
167.03430	0.3
167.10780	0.3
167.14316	0.6
171.10179	9.8
172.10509	0.3
175.02444	0.2
176.01015	0.3
177.01794	0.2
177.12804	0.8
180.73549	0.2
181.12318	0.5
183.13860	2.9
185.11775	0.9
191.03484	0.3
193.12152	1.0
195.06592	0.3
195.13821	0.4
197.11748	0.7
199.13269	0.5
201.11215	0.3
203.06958	0.3
203.10664	0.4
205.04993	0.2
207.10237	1.9
209.11777	5.0
210.12169	0.3
211.13339	16.1
212.13676	1.2
221.11792	2.9
225.11259	1.9
227.12865	0.7
229.14403	11.4
230.14726	0.5
239.12854	1.8
243.12305	0.3
247.20613	0.5
249.36632	0.2
255.23230	0.5
279.23297	0.4
283.02478	0.7
285.03992	0.3
289.07007	0.5
291.19699	2.9
292.19925	0.4
309.20618	0.7
311.02103	0.2
312.02740	0.6
313.03662	1.1
315.11157	0.2
319.99033	0.2
327.21756	100.0
328.22113	8.7
328.26056	0.5
397.13455	0.8
475.08896	1.0
505.33649	2.3
506.33810	0.3
553.06116	0.2
622.27081	0.3
623.25464	0.5
815.37549	0.7
823.02539	0.2
833.23730	0.5
833.38220	1.3
833.51788	0.6
834.39178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.1
61.98704	100.0
62.98404	0.2
71.01287	0.1
71.20921	0.2
76.63214	0.1
78.95788	0.5
96.96866	0.2
98.24061	0.1
100.71452	0.1
103.77377	0.1
125.02309	0.1
152.99556	0.2
161.02426	0.1
165.53622	0.1
209.11769	0.3
221.70074	0.1
255.23448	0.2
271.95636	0.1
378.15820	0.1
657.34424	0.2
673.65955	0.1
834.51782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.4
61.98703	100.0
62.98410	0.2
63.13419	0.2
69.70130	0.2
71.01252	1.0
72.53793	0.2
78.95754	1.0
88.98684	0.2
89.02332	0.3
98.19750	0.3
101.02371	0.2
111.35898	0.2
112.84164	0.2
116.92793	0.2
123.04441	0.7
124.82051	0.2
125.02347	0.4
142.87796	0.2
145.02950	0.2
151.03889	0.2
153.05502	0.3
161.17851	0.2
163.00272	0.2
175.04033	0.2
177.70958	0.2
193.05133	0.3
197.11826	0.3
199.13319	0.2
199.89224	0.2
209.11853	0.6
211.13319	0.4
225.11295	0.2
227.13042	0.3
241.01125	0.3
255.23224	0.4
263.56805	0.2
279.23300	0.3
397.13440	0.3
833.51880	0.3
834.52905	0.9
860.43970	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.2
61.98705	100.0
62.98421	0.3
71.01277	0.1
71.25392	0.2
72.38632	0.1
75.00729	0.1
78.91772	0.2
78.95795	0.2
80.96396	0.1
121.59580	0.1
125.02348	0.2
141.95561	0.1
150.07198	0.1
151.03937	0.1
152.20691	0.1
203.54030	0.1
209.11841	0.1
259.86206	0.1
289.18213	0.2
405.91733	0.1
407.94534	0.1
515.93195	0.1
566.68762	0.1
644.36035	0.1
663.80688	0.1
834.52185	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	0.5
59.01253	8.3
60.01571	0.1
61.98701	0.5
64.90302	0.1
66.47872	0.1
68.99703	0.1
69.03323	0.5
69.55420	0.6
71.01253	8.4
71.04874	0.2
72.01595	0.1
72.99177	0.7
73.02824	1.3
74.98959	0.4
75.00739	0.2
80.02543	1.4
81.03330	1.8
82.03677	0.1
83.01249	1.1
83.04897	5.4
84.02036	0.9
85.02827	2.0
87.00751	2.0
87.04385	0.1
89.02319	7.2
93.03321	0.3
95.01260	0.5
95.04899	0.9
97.02824	1.2
97.06463	0.3
99.00748	0.4
99.04363	0.2
101.02325	6.4
102.02625	0.1
107.04901	0.1
108.02071	0.1
109.02835	0.2
109.06496	0.3
111.00765	0.2
111.04398	0.2
111.08048	0.1
113.02334	4.0
113.05972	0.1
114.02666	0.1
115.03907	0.2
119.03385	2.1
121.02834	0.2
123.00732	0.1
123.04411	0.2
123.08081	0.2
125.02343	3.2
125.05956	0.6
125.09612	0.3
127.03867	0.1
131.03389	0.3
133.04961	0.2
134.03613	0.2
135.04425	0.1
135.08064	0.7
136.99026	0.2
137.02319	0.4
137.05959	0.1
139.03905	0.3
141.01842	0.2
143.03432	1.1
145.13828	0.1
147.11696	0.3
149.02364	0.2
149.04417	0.2
150.03069	0.1
151.03926	0.2
160.01459	0.1
161.02428	0.2
161.04503	1.7
163.11200	4.2
164.11517	0.2
165.01791	0.2
165.05563	0.1
165.12770	2.6
166.13142	0.2
167.03378	0.2
169.04944	0.1
171.10190	1.1
175.03949	0.2
179.05524	2.7
180.05766	0.1
181.12282	0.6
185.04393	0.1
185.11749	0.1
189.12775	0.1
191.10722	1.1
199.06039	0.1
199.13347	0.2
207.10211	0.1
209.11769	100.0
210.12103	6.0
217.01410	0.1
217.07062	0.4
221.06627	0.7
221.11754	0.2
223.13353	0.2
227.12839	14.6
228.13158	1.0
233.11948	0.1
235.08186	2.3
236.08484	0.1
239.12778	0.1
245.06668	0.1
247.13339	0.9
251.12866	0.5
253.09233	0.4
259.08173	0.1
263.07669	0.1
265.14410	0.4
287.07806	0.8
289.07135	0.2
305.08752	1.0
323.09808	0.6
331.44775	0.1
356.72073	0.1
361.11176	0.1
379.08078	0.2
379.12512	2.2
380.12750	0.1
397.13501	19.2
398.13831	1.4
401.23468	0.2
415.14563	5.8
416.15079	0.3
419.24472	0.2
437.25513	0.2
589.25232	0.4
607.25964	0.9
608.26849	0.1
645.28510	0.1
672.76318	0.1
773.35681	0.2
799.37457	0.7
800.38507	0.2
817.38824	0.3
835.39752	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00461	0.6
59.01252	9.1
61.98706	1.1
69.03319	0.6
70.70012	0.4
70.70370	0.2
71.01256	8.3
72.99179	0.6
73.02824	1.2
74.98944	0.2
80.02551	1.4
81.03332	1.7
83.01267	0.9
83.04901	5.1
84.01615	0.2
84.02047	1.0
85.02828	2.2
87.00750	1.9
88.98685	0.4
89.02323	6.8
93.03336	0.2
95.01254	0.7
95.04893	1.2
95.70152	0.2
97.02837	1.4
97.06461	0.2
99.00755	0.3
101.02322	6.0
107.04939	0.2
109.02857	0.2
109.06473	0.5
111.00755	0.2
111.04438	0.3
111.08043	0.2
113.02339	3.7
119.03381	2.3
121.02863	0.3
123.00784	0.2
123.04404	0.3
123.08054	0.2
124.01575	0.3
125.02342	2.5
125.05945	0.8
125.09629	0.3
131.03395	0.4
133.05037	0.3
134.03647	0.2
135.08055	0.6
137.02322	0.3
139.03928	0.4
143.03404	1.3
145.04927	0.2
147.11688	0.3
149.04538	0.3
149.09641	0.3
151.03951	0.2
161.02356	0.2
161.04460	1.4
163.03906	0.2
163.11205	4.1
164.11534	0.2
165.01816	0.3
165.12778	2.4
167.98729	0.2
171.10107	0.8
171.57683	0.2
179.05548	2.2
181.12236	0.6
191.10696	1.0
199.05977	0.3
199.13263	0.3
209.11777	100.0
210.12120	5.7
217.07170	0.3
221.06612	0.9
223.13318	0.3
225.11224	0.2
227.12851	14.9
228.13191	1.1
235.08208	2.2
247.13354	0.8
251.12878	0.5
253.09297	0.6
259.08148	0.2
263.07693	0.2
265.14551	0.3
266.65750	0.2
287.07739	0.7
305.08807	1.0
323.09869	0.6
353.23547	0.2
379.12482	2.3
397.13507	18.7
398.13901	1.9
415.09052	0.3
415.14526	5.7
416.15009	0.4
419.24445	0.3
589.24762	0.3
607.26190	0.9
799.37451	0.6
817.38629	0.3
835.38550	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.4
61.98703	100.0
68.90994	0.1
71.01263	0.4
71.53616	0.2
72.99200	0.2
75.03356	0.1
81.03359	0.1
83.04876	0.2
88.98684	0.7
89.02306	0.3
96.37129	0.1
101.02286	0.1
122.03626	0.2
123.04389	0.4
125.02331	0.2
126.78768	0.1
145.02971	0.2
149.02272	0.2
150.03127	0.2
151.03897	0.3
153.05511	0.3
158.38930	0.2
160.01573	0.3
161.02351	0.2
165.01913	0.2
175.03912	0.3
190.02557	0.2
194.80223	0.1
205.04993	0.2
251.75719	0.2
836.38373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
80.96394	0.8
87.68867	0.2
92.79237	0.2
94.97921	0.2
97.98819	0.2
98.20537	0.6
277.21524	0.2
319.11520	0.3
394.62457	0.2
561.39203	0.2
837.49036	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52303	1.1
63.96078	2.2
69.34883	1.4
69.82848	6.7
71.01252	8.5
78.98463	7.3
79.95610	18.9
80.96395	100.0
85.02837	6.1
87.00734	4.1
94.97960	21.2
96.95868	1.4
97.02816	2.7
98.19869	1.9
100.75756	1.4
101.02348	1.8
106.97966	2.7
119.39939	1.4
122.97453	5.4
123.74986	1.5
125.02313	4.0
134.97473	8.8
140.36952	1.4
148.99046	9.5
152.98492	8.3
164.98538	15.4
206.99632	2.7
225.00702	15.1
277.21735	2.5
289.32089	1.4
372.19476	1.5
559.02838	1.5
559.25928	3.5
572.77521	1.4
837.48267	99.6
838.48621	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	837.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.4
61.98708	3.8
69.03333	1.8
70.55715	1.6
71.01266	6.3
75.05019	0.6
78.95776	0.7
83.01257	1.6
83.04877	0.8
85.02812	1.6
87.00745	0.8
89.02306	3.5
89.50624	0.7
96.95899	2.0
97.02815	3.7
97.06506	0.7
101.02327	4.6
111.08039	10.8
113.02323	2.8
119.03386	1.4
123.08083	0.9
125.02290	0.7
125.09625	1.2
137.09604	1.5
153.12703	1.0
161.04431	2.7
163.11220	1.1
165.12762	2.3
169.12257	4.9
171.10153	4.0
179.05540	0.9
179.14334	0.8
181.12271	2.2
183.13826	1.3
193.12360	0.8
197.11772	53.8
198.12079	2.9
199.13351	2.7
209.11774	1.4
211.13338	9.0
223.13300	0.8
227.12875	3.8
235.08182	2.6
247.20650	2.8
253.09261	20.3
254.09569	0.9
263.20129	2.8
265.18115	1.8
273.18661	1.4
291.19675	38.8
292.20020	3.2
293.21188	2.3
309.20712	100.0
310.21024	8.7
433.20770	1.1
545.29926	2.8
546.30688	0.9
601.41010	2.6
693.52264	0.7
805.33087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	10.2
61.98700	3.3
62.35134	1.5
69.03336	2.7
71.01240	8.7
71.54164	2.3
79.42621	1.8
80.96424	1.6
81.03354	3.5
81.46819	1.6
83.01268	3.5
83.04868	1.9
85.02834	2.6
87.00766	1.6
89.02309	8.5
95.01249	1.7
95.04896	2.7
96.95901	17.0
97.02817	2.1
97.06462	4.4
101.02316	9.3
111.08060	6.9
113.02358	2.9
123.08015	2.0
125.02321	1.8
125.09621	7.9
137.09630	3.1
145.04871	2.0
161.04471	3.0
163.11241	4.9
165.12854	1.7
167.10625	2.4
171.10193	5.7
177.12804	2.1
181.12254	2.1
185.11780	7.5
191.14351	4.6
195.13841	12.9
197.11789	18.7
201.11287	7.7
206.35320	1.7
207.10197	1.7
209.11771	16.6
211.13412	4.2
223.13419	8.2
225.11237	2.5
227.12679	3.9
228.13495	1.9
235.08203	5.3
237.11250	3.3
245.19070	13.1
253.09294	20.5
255.23293	1.6
256.13235	2.9
263.20172	2.2
271.17004	1.8
275.20230	7.5
276.84375	1.6
276.87231	1.7
277.21698	7.5
289.18134	46.2
290.18549	4.1
291.19669	46.4
292.19952	4.3
293.21222	100.0
294.21588	7.0
307.19128	28.8
308.19534	4.2
309.20779	18.3
310.21158	2.6
415.14899	2.0
443.99200	1.6
638.22931	1.8
759.56647	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	839.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.5
61.98701	2.9
69.03314	1.0
71.01259	6.4
71.09199	1.2
73.02825	1.2
83.01246	1.1
85.02829	7.2
87.00733	1.5
89.02316	4.5
96.95898	1.4
97.02832	1.7
97.06474	2.7
99.00786	1.0
101.02319	4.6
113.02362	3.3
119.03423	1.2
123.08064	0.6
125.02382	0.9
125.09629	1.4
127.11199	0.8
127.98371	0.6
137.09607	1.3
145.04984	0.7
155.10707	1.3
155.14240	0.8
161.04483	3.2
167.00623	0.6
167.10721	0.7
171.10190	18.8
179.05591	0.8
183.13814	2.2
185.11832	0.9
195.13855	6.6
196.14278	1.3
205.15999	0.7
209.11769	2.1
211.13361	13.5
221.11746	2.7
223.13303	5.5
229.14427	8.0
235.08208	6.8
236.08524	1.0
239.12906	1.7
253.09276	29.3
254.09676	1.2
256.13147	1.1
275.20160	5.8
291.19641	3.5
293.21240	100.0
294.21558	9.0
309.20709	6.9
327.21771	78.6
327.25916	1.3
328.22116	6.6
499.86697	0.7
529.30078	1.2
545.29742	1.4
563.30786	5.5
564.31036	1.1
603.42682	4.0
604.43115	1.1
764.31830	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.514
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53568	50.9
76.70171	43.3
80.96387	100.0
105.34477	46.5
145.87837	47.2
157.31688	51.1
645.60498	48.3
805.46930	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.7
61.98705	100.0
69.20582	2.6
69.20985	0.4
71.01238	0.8
77.05717	0.3
87.00756	0.3
87.05442	0.3
87.17320	0.3
88.98714	0.5
89.02309	0.8
97.06467	0.4
101.02325	0.4
109.16812	0.3
110.51163	0.3
117.57738	0.3
125.02350	0.5
125.09611	3.7
129.10274	0.5
187.09749	2.8
207.15117	0.5
219.73470	0.3
242.18797	0.5
388.26706	0.4
408.00092	0.4
573.44141	0.3
703.15161	0.4
782.51794	5.5
783.52606	1.4
845.45367	3.9
846.46680	1.4
869.72180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03814	0.6
67.63361	0.7
69.03325	2.4
69.82502	3.3
74.27836	0.7
81.03335	2.9
83.01254	6.2
93.03339	3.8
95.01237	1.4
95.04893	4.9
97.02825	8.7
105.03342	0.9
107.04921	1.4
108.02062	1.9
109.02839	27.4
110.03137	1.1
119.01279	0.8
119.04927	0.9
119.59520	0.7
120.02074	1.0
121.02864	7.5
122.03598	1.1
122.49883	0.6
123.04419	15.2
124.01527	1.1
125.02342	38.2
126.02707	1.3
126.37342	0.7
133.02866	4.4
135.00792	1.5
135.04410	2.8
137.02353	25.1
139.03920	5.2
143.04884	0.9
145.02867	2.0
146.03610	1.3
147.00754	1.4
147.04427	3.5
149.02353	18.5
150.03140	1.5
151.03926	9.7
152.04263	0.7
158.03719	0.8
159.04405	4.4
160.05231	2.3
161.02391	8.8
161.05992	6.9
162.03114	2.1
163.00278	19.7
163.03949	3.5
164.01071	19.9
165.01852	6.9
166.02576	0.8
167.03401	2.3
171.04428	1.2
173.02298	1.1
173.06035	1.5
174.03053	1.1
175.03946	8.0
175.07587	1.7
176.01100	3.8
177.01862	11.0
177.05472	1.8
178.02571	1.3
179.03433	4.9
181.06596	0.7
184.05225	1.3
185.06039	3.4
187.03937	8.2
187.07466	1.2
188.04712	3.8
189.01894	1.7
189.05418	3.5
190.02603	1.1
191.03418	1.7
197.06081	1.0
199.03885	3.8
199.07613	1.0
201.01884	2.6
201.05428	1.8
202.02472	0.9
202.06198	1.5
202.99808	1.6
203.07069	10.6
204.07428	1.3
205.01393	8.6
205.05009	8.3
211.03940	2.0
212.04630	1.0
213.05481	3.0
214.02618	0.9
215.03465	3.9
215.07069	0.8
217.01302	1.0
217.04962	4.1
217.08521	0.7
221.08192	1.8
225.05493	1.7
227.03474	2.6
227.07166	2.0
229.01303	1.3
229.05052	4.4
229.08653	1.3
230.05856	0.8
231.03011	0.9
231.06516	1.2
233.04573	0.8
237.05423	1.1
239.03412	0.9
240.04213	1.3
241.04990	3.5
242.02182	1.0
243.02931	6.6
244.03419	0.9
245.04536	1.7
245.08148	12.8
246.08565	0.8
247.06099	1.6
253.05055	1.6
255.02995	7.6
255.06599	2.1
256.03702	2.2
257.04510	4.9
267.03070	1.5
267.06320	1.0
268.03650	1.4
269.04532	3.6
271.06171	6.3
272.03375	0.8
272.06418	0.9
273.07681	12.4
274.08115	1.4
281.04590	3.2
282.01624	0.8
283.02487	5.8
283.06165	2.8
284.03186	2.5
285.04059	34.2
286.04358	2.5
288.02899	1.4
289.07187	79.0
290.07574	6.4
295.02545	1.2
295.06030	0.9
296.03238	0.8
297.04117	3.6
301.03491	2.2
301.93909	0.8
307.06097	3.0
309.04044	1.9
311.05383	0.9
313.07513	0.9
324.02777	1.7
325.03510	1.9
328.05826	4.9
329.06668	8.8
381.09531	0.9
389.06631	3.0
407.07858	8.3
411.07208	100.0
412.07538	13.7
431.07693	5.5
432.08191	1.4
435.10938	22.8
436.11282	2.7
450.05945	5.5
451.06445	1.0
513.12695	1.1
515.09918	2.2
539.09747	4.3
541.07758	1.1
557.10809	20.7
558.11505	3.3
559.08618	2.0
561.13989	2.3
567.09143	1.6
693.12231	7.3
694.12646	1.9
695.14221	3.3
711.13214	3.8
712.15033	0.9
745.85327	1.0
811.16779	1.1
847.18591	5.4
848.18878	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
63.24239	0.5
69.28316	4.1
71.01271	0.7
81.03313	0.9
83.01249	0.9
85.43517	0.5
97.02862	0.7
98.20543	1.3
101.02293	0.6
109.02837	1.2
123.04417	0.6
125.02335	5.1
137.02350	6.5
146.03636	1.0
150.03134	0.5
151.00285	1.9
151.03914	0.9
159.04517	0.8
161.02299	1.0
163.00308	0.7
164.01080	1.8
165.01845	2.8
167.03424	3.2
173.05939	0.8
175.07498	1.3
177.01807	0.7
179.03371	1.2
199.03969	1.8
203.07031	0.6
205.08719	0.7
215.03453	1.8
217.08612	2.2
226.02705	0.7
227.03442	2.4
229.08714	1.5
242.02174	4.0
243.02950	22.8
244.03275	1.3
255.03003	2.7
257.04532	7.1
270.01703	5.0
271.02466	24.5
272.02844	1.5
285.04041	11.3
286.04712	5.3
287.05396	0.8
299.01953	8.8
300.02744	7.9
301.03244	0.8
314.04309	43.8
315.05042	23.3
316.05362	1.3
323.12784	1.8
367.11877	5.4
385.12936	3.8
454.42776	0.6
461.10895	100.0
462.11313	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	3.0
71.00799	2.1
78.95779	58.4
79.95605	3.9
80.96391	11.7
94.97983	2.1
96.96857	13.0
99.70398	1.1
101.14006	1.1
122.97481	2.3
152.99513	14.1
156.68286	1.4
164.98552	2.0
195.13777	3.9
211.13388	1.3
223.00082	5.9
223.13287	2.0
225.00716	2.9
239.69003	1.1
241.01186	31.7
255.23274	42.6
256.23529	3.4
259.02267	2.4
275.20065	2.7
293.21222	16.9
297.03888	1.6
391.22723	3.1
422.23654	1.3
429.20486	1.7
553.27722	3.3
717.95459	1.5
781.99420	1.3
827.57574	1.3
847.49725	100.0
848.50134	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	849.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01279	2.1
69.74232	11.1
76.61858	2.4
80.00113	2.3
83.01276	4.2
84.56062	2.3
93.03343	2.4
97.02837	5.1
109.02840	20.4
114.20393	2.5
121.02847	5.5
123.04408	16.8
125.02341	100.0
126.02709	3.1
129.26149	2.0
133.02858	5.0
135.04402	2.3
137.02353	25.5
139.03918	3.9
149.02362	5.0
151.03906	9.2
157.06578	2.2
157.87273	2.6
159.04410	3.7
161.02353	23.7
161.05983	5.1
163.00299	9.5
163.03911	3.4
164.01077	38.2
165.01834	8.2
167.03381	2.5
173.05986	3.0
174.15581	2.3
175.03922	12.2
177.01830	14.1
177.05516	2.5
179.03445	3.2
185.05992	3.6
187.03941	10.9
201.05363	3.4
203.03389	2.5
203.07132	8.3
204.10654	2.3
205.01344	3.9
205.04953	5.4
213.05437	3.3
214.02547	3.3
217.01453	2.8
217.05060	6.2
219.02863	3.0
227.03310	2.8
229.04999	7.3
243.03029	8.7
245.04581	6.6
245.08240	7.6
255.03023	4.7
256.03671	3.6
257.04526	2.9
261.04114	3.2
269.04709	2.9
271.06186	16.2
273.03952	2.3
281.04346	2.7
282.01636	3.6
285.04205	6.3
287.05725	16.6
289.07138	57.2
290.07501	9.4
306.02496	2.4
328.95859	2.7
331.42743	2.4
332.23251	4.1
363.08505	3.6
389.06384	5.4
397.09097	2.7
407.07767	38.9
408.08173	3.5
411.07266	6.4
412.07458	4.5
413.08530	3.3
425.08759	4.0
433.09293	10.9
435.11038	4.1
447.66177	2.6
559.12421	19.7
561.14172	3.0
577.00116	2.6
597.38354	2.6
679.14148	6.9
697.16290	2.7
863.25482	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	849.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.7
61.30081	0.5
61.98705	100.0
65.03864	1.1
69.03315	0.9
71.01245	5.1
71.54101	0.8
72.99154	0.7
73.02821	15.3
75.00745	1.2
81.03346	3.0
82.07027	0.6
82.56013	0.6
83.04902	6.9
85.02820	3.7
89.02326	1.5
89.28242	0.7
93.03341	50.3
94.03686	2.1
97.02883	1.0
99.00759	5.3
99.04390	5.6
101.02340	3.0
109.02857	1.8
111.04415	18.4
111.08018	0.8
113.02322	1.8
121.63013	0.6
125.02383	0.8
129.01872	2.1
137.02345	12.0
143.03447	3.0
155.03415	7.6
161.04437	0.6
161.60704	0.6
173.04477	70.7
174.04851	2.7
184.06508	0.6
184.08165	0.7
193.44048	0.6
200.14427	0.6
209.11763	0.8
235.08289	1.3
277.21753	5.6
278.22171	0.7
397.13535	12.2
398.14114	1.4
415.14554	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	849.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	17.2
61.56320	0.8
61.98682	1.6
69.03313	1.0
71.01241	14.4
71.01604	1.6
72.99168	1.2
73.02828	1.9
81.15588	0.8
83.01251	1.8
83.04892	1.3
85.02816	3.6
87.00744	2.5
89.02319	10.7
95.01234	0.9
97.02831	1.2
97.06468	4.5
99.00755	1.2
101.02332	9.0
113.02346	5.6
119.03377	2.2
125.02333	3.1
143.03442	1.0
151.11179	10.1
153.71442	0.8
161.04514	0.9
169.12265	39.7
170.11256	0.8
170.12598	2.5
195.10249	0.8
203.05403	0.8
213.11247	6.5
221.06615	1.9
235.08217	1.3
255.23277	49.6
256.23599	5.0
383.44943	0.8
397.13541	3.4
450.03720	1.0
611.25360	1.7
849.48529	100.0
850.48932	28.3
850.65387	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	850.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56726	0.2
61.98705	100.0
62.98404	0.2
63.11858	0.2
63.77071	0.2
70.02818	0.6
71.01264	0.2
80.96397	0.3
98.20470	0.2
138.87228	0.2
155.09163	0.2
181.44313	0.2
209.11874	0.3
240.47810	0.2
255.96196	0.2
256.14334	0.2
297.46112	0.2
303.94543	0.2
851.41791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.4
61.32205	0.2
61.98704	100.0
62.98389	0.2
71.01257	1.5
71.53974	0.2
81.81550	0.2
89.02317	0.3
96.95905	0.4
101.02333	0.3
105.71191	0.2
111.14149	0.1
125.02363	0.4
128.76862	0.1
151.66251	0.2
152.07901	0.2
171.10121	0.8
187.92601	0.2
201.11273	0.4
207.10196	0.4
209.11781	2.3
225.11322	0.6
227.12819	0.3
397.13583	0.5
845.37213	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	21.5
61.98705	21.1
69.03323	2.2
70.04990	1.0
71.01254	66.6
71.54678	1.4
72.01605	1.3
72.99171	2.4
73.02826	8.2
75.00763	1.3
80.02544	1.8
81.03325	3.7
83.01269	3.4
83.04893	8.7
84.02050	2.2
85.02827	9.6
87.00744	6.7
88.34295	1.3
88.97377	1.1
88.98678	2.6
89.02316	17.3
93.03360	1.2
94.83329	1.0
95.01278	2.6
95.04910	3.7
96.95880	1.7
97.02821	5.4
99.00740	1.9
101.02322	17.8
107.04905	1.1
108.02048	1.2
109.02868	2.4
109.06464	4.9
111.04517	1.1
113.02339	8.1
116.92731	1.3
119.03377	5.5
121.02857	1.2
123.04417	3.0
123.08073	1.3
125.02330	10.3
125.06034	1.5
125.09626	2.5
127.11196	2.9
131.03372	1.3
135.08057	1.7
137.02353	3.5
139.03909	2.2
139.07599	1.0
143.03416	3.1
145.02823	1.3
145.10117	1.2
145.19876	1.0
149.02318	1.9
150.03140	2.0
153.05511	1.8
155.10640	1.5
160.01530	1.6
161.02391	1.7
161.04454	5.1
161.09648	1.4
163.03911	1.4
163.11200	11.1
165.01913	2.0
165.05441	2.2
165.12770	2.3
171.10184	33.2
175.03885	1.8
179.03421	1.2
179.05539	4.8
181.05009	2.0
181.12308	5.3
185.11790	2.8
189.09132	1.5
189.53105	1.0
189.81448	1.2
191.10703	1.7
195.06512	1.3
197.11732	1.9
201.11255	23.3
202.11737	1.7
205.04994	1.9
207.10193	17.3
209.11774	100.0
210.12064	8.5
215.12866	3.4
221.06555	2.6
225.11279	30.9
226.11592	2.0
227.12839	15.1
235.08261	5.9
243.12383	5.0
251.12738	1.7
253.09274	2.3
263.07846	1.1
285.04028	1.4
289.07172	2.0
298.27213	1.1
330.10254	1.0
333.36838	1.3
379.12427	4.1
397.13452	29.9
398.13925	3.1
415.14520	9.2
435.24847	1.1
439.14453	2.1
452.47632	1.0
516.40967	1.1
574.01172	1.1
605.24371	2.3
607.25519	1.3
623.25311	4.2
624.26300	1.3
815.37189	3.7
833.37610	4.2
834.37909	2.1
845.39337	1.4
851.39832	4.8
852.39233	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	857.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98689	2.8
71.01246	1.4
71.27338	0.7
71.54835	0.8
83.01264	3.9
85.02797	1.3
93.03331	4.6
95.04910	2.2
96.95878	0.9
97.02821	2.1
101.02322	0.8
105.03358	1.9
107.04871	0.8
108.02058	11.5
109.02840	36.0
113.02295	0.8
117.03356	3.7
119.04928	3.1
121.02835	8.7
122.03610	2.1
123.00766	1.2
123.04411	26.9
124.01665	0.7
124.04747	1.4
125.02326	6.5
131.04887	1.3
133.02852	8.9
135.04420	4.7
137.02330	5.6
138.03127	1.5
139.03937	3.5
145.02858	3.0
147.04422	2.3
148.01566	2.4
148.05197	2.1
149.02351	27.3
149.05952	1.5
150.03131	6.8
151.03934	14.7
153.05385	0.9
159.04427	2.8
160.01556	1.2
160.05205	1.8
161.02353	100.0
161.06017	2.5
162.03041	6.9
163.03918	71.0
164.01099	0.9
164.04257	2.7
165.01852	5.0
165.05467	2.5
166.02631	4.1
171.04378	1.0
172.05292	0.8
173.02464	1.6
174.03143	2.2
175.03920	11.8
177.01826	2.4
177.05455	3.7
179.03416	4.8
180.04156	1.6
181.04965	4.4
187.03964	2.2
187.07504	1.4
188.01067	5.4
188.04697	2.0
189.01865	10.9
189.05391	1.8
190.02573	1.5
191.03471	2.6
191.05545	1.2
193.04929	1.6
195.06537	3.2
199.03859	1.0
200.04607	1.5
201.01860	2.9
201.05563	1.5
202.02641	9.7
203.03419	12.8
203.07056	1.2
204.04082	1.5
205.04982	5.0
213.05531	1.7
215.03523	1.3
216.04185	1.2
219.02896	2.4
221.04489	0.8
225.07642	0.8
231.06674	1.1
239.07083	0.9
241.05054	1.2
243.06712	1.0
245.08025	1.0
247.06113	1.0
270.05408	2.9
270.08719	1.0
271.05960	1.3
272.06946	1.0
282.05432	1.3
283.06189	1.1
285.07684	3.5
285.10959	0.8
286.08038	1.1
287.09265	2.4
289.07358	4.2
297.07648	1.3
303.08643	1.8
307.06256	2.2
312.06409	0.9
313.07175	20.9
314.07675	2.4
315.08688	4.1
316.09128	1.1
325.07166	39.5
326.07538	4.5
327.08752	4.4
329.10327	2.5
339.08685	4.9
341.10336	2.1
343.08191	6.5
344.12750	2.1
356.12369	0.9
357.09763	8.6
359.15036	1.6
371.15125	0.9
437.12415	8.2
449.12439	11.0
450.12820	1.1
467.13449	74.9
468.13751	9.7
555.22870	0.9
623.15289	0.8
846.50476	1.0
857.31140	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	4.1
68.99670	0.6
71.01260	1.7
71.54187	1.0
79.01786	0.8
81.03319	0.8
83.01258	2.6
85.02804	1.0
88.98722	1.1
93.03347	4.9
95.01270	1.2
95.04902	2.5
96.95878	1.3
97.02816	2.4
105.03341	2.2
107.01275	0.8
107.04922	1.4
108.02060	10.0
108.86615	0.7
109.02844	32.1
110.03147	1.2
117.03344	4.1
119.04934	2.6
121.02853	8.2
122.03598	2.0
123.00751	1.4
123.04417	26.4
124.01577	1.2
124.04729	1.4
125.02337	6.4
131.04897	0.8
132.02052	1.3
133.02861	9.7
135.04434	6.0
137.02359	6.4
138.03096	2.2
139.03941	4.4
145.02853	3.1
147.04411	1.9
148.01588	2.9
148.05219	0.8
149.02354	29.4
149.05962	1.4
150.03180	5.8
151.03934	13.2
153.05496	1.1
157.10869	0.7
159.04427	1.5
160.01530	1.1
161.02356	100.0
161.05997	2.8
162.02969	5.5
163.03926	67.2
164.01038	1.5
164.04285	3.0
165.01901	5.0
165.05486	2.1
166.02666	3.3
171.04454	1.3
173.02271	1.2
173.06004	1.1
174.03107	3.0
175.03928	10.6
176.01195	0.9
177.01846	2.3
177.05547	3.3
179.03423	3.0
180.04085	1.1
181.04991	3.9
182.01944	0.7
186.06830	0.8
187.03951	1.3
187.07568	1.0
188.01109	3.0
189.01852	11.9
190.02718	1.4
191.03439	2.1
193.05116	0.8
195.06615	1.9
200.04784	1.1
201.01857	2.7
201.05521	1.5
202.02682	8.4
203.03412	12.0
203.07016	1.0
204.03981	0.7
205.04985	3.6
207.02937	0.7
211.03999	1.0
211.06079	1.2
214.06288	0.9
215.03424	1.0
215.99374	0.7
216.04160	1.2
219.02963	1.9
225.05479	1.2
225.07642	1.2
227.07043	0.9
245.08153	1.5
247.06125	1.5
255.06659	0.9
267.06430	0.8
269.04568	1.5
269.08167	0.9
270.05341	3.1
271.05923	1.9
285.07739	3.6
285.11298	1.3
287.09265	2.1
289.07199	4.8
297.07864	1.4
298.08380	0.8
299.05576	0.8
299.09320	1.0
303.08737	2.1
307.06207	2.3
313.07187	23.2
314.07751	2.1
315.08545	3.4
316.09119	0.8
325.07184	39.5
326.07632	4.5
327.08667	4.8
329.10352	1.4
339.08820	4.9
341.10275	1.2
343.08246	7.4
344.08728	1.2
344.12656	2.4
357.09866	8.0
359.15155	1.8
370.91385	0.7
371.14981	1.5
437.12442	8.9
438.13052	1.4
449.12341	11.1
450.12738	1.0
467.13461	72.4
468.13840	9.7
612.58008	0.8
790.34186	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01370	0.5
65.00192	1.1
65.58224	0.6
71.53886	1.0
78.18407	0.5
83.01244	0.8
91.99701	0.6
96.95900	0.6
107.01254	1.9
108.02097	0.6
109.02847	1.7
121.02832	1.8
135.00764	0.7
137.02351	0.6
144.51575	0.5
147.04416	3.4
148.01524	0.7
151.00278	8.2
163.00258	1.8
165.05466	2.6
169.01373	0.6
176.13893	0.5
178.99811	3.3
199.03838	0.7
201.05714	0.6
207.06599	1.0
227.03436	1.6
243.02942	5.1
244.03088	0.6
245.04639	0.7
250.08319	0.7
254.02136	0.8
255.02995	14.5
256.03235	1.1
257.38715	0.6
271.02487	35.3
272.02939	3.0
273.03992	0.9
283.02505	1.0
285.04044	0.8
299.01962	0.9
300.02762	69.9
301.03470	28.5
302.03870	1.6
411.98694	0.6
609.14618	100.0
610.15033	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	2.8
66.69102	0.8
67.89335	0.7
69.03314	0.9
71.01250	20.7
71.54130	1.5
73.02820	3.6
74.73435	0.7
75.00742	0.9
81.03329	2.2
83.01281	2.4
83.04898	5.6
85.02814	4.7
87.00751	5.1
87.39069	0.8
88.98681	1.1
89.02314	15.6
89.97227	0.9
95.01266	1.0
97.02840	3.0
99.00745	1.6
101.02320	14.8
101.15256	0.8
111.04425	1.0
113.02340	8.2
116.92747	1.0
119.03397	5.1
122.65396	0.8
125.02353	6.6
135.08008	1.4
143.03407	3.1
161.04468	3.4
163.11180	4.7
165.12823	1.8
179.05498	2.9
191.10776	1.2
207.10280	4.1
209.11775	100.0
210.12105	6.9
221.06642	1.4
225.11287	9.3
227.12827	13.0
235.08154	6.4
248.32333	0.8
253.21710	63.0
254.22060	4.6
255.23280	6.4
287.07657	1.1
305.08810	2.1
323.09964	1.2
379.12625	6.1
397.13516	39.8
398.13809	2.0
415.14679	10.8
589.62292	0.9
607.26062	1.0
651.35449	1.4
861.48566	2.9
862.49719	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
65.90381	1.2
69.03333	2.4
69.50224	4.5
69.50647	4.0
70.00664	1.2
81.03325	4.9
81.37972	1.2
83.01259	9.6
85.88844	1.0
85.89914	1.1
93.03332	2.9
95.01310	1.4
95.04906	3.1
97.02814	5.2
105.03327	1.3
107.04907	1.1
108.02045	2.6
109.02841	34.6
111.14635	1.4
117.03291	1.3
119.04950	1.6
121.02856	12.3
123.04426	22.1
125.02343	100.0
126.02675	2.8
132.02036	1.6
133.02849	6.3
135.00728	1.9
135.04414	4.4
137.02350	48.1
138.02711	1.4
139.03897	4.9
140.07228	1.1
143.04938	1.8
145.02861	2.1
145.06491	1.4
146.03630	2.6
146.72743	1.4
147.00742	1.8
147.04424	4.7
149.01219	2.4
149.02356	31.5
150.03119	2.2
151.03903	14.9
159.04431	6.2
160.01610	2.7
161.02361	47.5
161.05911	6.6
162.02946	3.8
163.00275	19.1
163.03951	4.2
164.01060	11.3
165.01842	7.0
167.03375	4.2
171.04379	2.6
173.02437	1.7
173.06010	2.6
174.03180	2.8
175.03931	22.4
175.07466	1.9
176.01122	3.1
177.01848	14.6
177.05484	1.8
178.02530	1.3
179.03508	5.6
185.06067	3.0
187.03951	12.7
188.04671	5.2
189.01871	2.0
189.05482	4.3
190.02696	1.6
191.03459	1.9
196.05376	1.5
199.03925	10.3
201.01862	6.5
201.05450	3.0
202.02562	2.8
202.06261	1.7
202.99913	1.6
203.03415	4.1
203.07065	15.6
205.01398	2.9
205.05043	10.3
211.03897	4.7
213.05478	5.0
214.02611	2.0
215.03391	6.2
217.05052	9.2
219.03085	1.7
219.06477	1.3
221.08188	2.5
225.05638	1.3
226.16331	1.5
227.03447	4.0
227.07059	2.1
228.04231	1.5
229.04973	6.5
231.02853	2.1
231.06636	1.6
239.03322	2.4
241.04948	7.5
242.02298	2.6
242.05424	1.5
243.03001	18.5
244.03444	3.2
245.04585	8.1
245.08173	18.6
246.08624	1.4
247.06096	2.1
253.05055	1.6
255.02995	11.6
256.03625	4.7
257.04489	10.4
265.05197	1.5
267.03098	3.3
269.04611	2.4
271.02634	1.6
273.03964	2.9
279.03125	1.3
281.04535	2.2
283.02460	5.5
283.05792	2.4
284.03296	2.4
285.04044	60.3
286.04327	5.2
287.02151	2.1
287.05618	10.5
288.02829	2.9
289.07172	65.5
290.07480	4.9
299.05649	15.3
307.06067	5.9
309.04025	3.2
321.07666	1.9
347.05173	1.2
375.05060	2.5
381.09857	1.8
393.06168	1.6
405.05991	3.1
407.07755	17.2
408.08270	2.8
411.07242	81.1
412.07721	11.1
425.09085	2.1
437.08838	1.5
447.07053	3.5
450.05896	1.9
451.10504	16.1
452.11023	2.9
461.08441	1.4
531.09235	4.1
541.07629	3.5
543.09888	1.4
559.08795	10.9
560.08789	2.2
573.10400	13.6
574.11188	1.8
693.12653	12.0
694.12665	3.4
711.13672	12.0
712.14252	1.9
863.17468	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	863.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62383	0.8
61.83937	0.8
65.00194	1.4
65.61407	0.9
69.03326	2.5
69.49296	5.2
69.67052	0.8
74.21191	0.9
80.02555	1.0
81.03339	4.9
83.01263	15.9
93.03355	4.7
95.01277	3.9
95.04905	5.1
97.02837	7.3
98.19756	0.9
99.04385	1.1
105.03359	2.0
107.01295	1.1
107.04920	3.0
108.02065	3.9
109.02843	43.8
110.03209	1.5
111.85974	1.1
117.03358	2.5
119.01292	1.9
120.02055	1.2
121.02847	15.2
121.06470	1.7
122.03674	1.6
123.00804	1.2
123.04420	28.9
124.01565	1.1
125.02345	96.5
126.02672	3.3
131.04945	1.2
132.02058	1.7
133.02837	13.7
135.00793	3.0
135.04411	6.1
137.02350	45.3
138.02809	1.7
139.03915	5.8
143.04935	2.4
145.02885	4.0
145.06490	1.3
146.03625	2.6
147.00793	4.6
147.04419	8.4
148.01616	1.9
149.02354	36.7
149.05978	0.8
150.03041	2.5
151.00356	0.9
151.03934	16.4
151.05043	0.6
153.01802	1.1
155.04904	1.3
157.06558	1.2
158.03677	1.1
159.04425	6.7
160.01678	1.9
160.05211	2.2
161.02362	48.5
161.05991	7.4
162.02881	3.1
163.00291	26.8
163.01416	0.5
163.03944	5.5
164.01076	13.7
165.01863	8.0
165.05478	2.3
167.03410	1.5
167.04953	1.1
169.06522	1.0
171.04419	4.1
172.05203	1.1
173.02319	2.0
173.06023	3.5
173.95724	0.8
174.03151	5.2
175.03932	25.0
175.07574	3.3
176.01091	6.0
176.04407	1.2
177.01869	19.4
177.05540	2.5
178.02538	0.8
179.03429	5.1
183.04465	3.0
185.02454	0.8
185.06071	3.8
187.03949	12.6
187.07756	0.9
188.04720	6.1
189.01884	4.0
189.05464	4.7
190.02623	2.7
191.03429	3.6
195.04520	0.9
196.05251	1.1
197.05984	2.2
198.03233	1.4
199.03949	12.4
199.07565	1.3
200.04576	1.6
201.01903	7.6
201.05553	4.5
202.02533	1.7
202.06255	3.3
202.99876	1.8
203.03384	3.4
203.07083	15.0
205.01422	3.8
205.05011	8.6
211.03902	4.9
212.04649	3.0
213.02005	0.9
213.05502	5.4
214.02654	2.4
215.03470	8.1
215.06906	1.0
216.04097	1.0
217.01479	1.4
217.05017	9.8
219.02954	2.1
219.06575	1.7
221.06273	0.9
221.08195	3.5
223.03934	1.0
225.05508	2.3
227.03488	5.3
227.07121	2.6
228.04137	2.0
229.05045	4.4
231.02957	1.6
231.06522	1.5
233.04482	1.3
237.05641	1.0
239.03499	3.1
239.07031	1.4
240.04190	2.0
241.04976	6.7
242.02190	2.4
243.02974	17.3
243.06717	1.1
244.03561	2.1
245.04576	6.3
245.08157	13.2
246.08591	1.1
247.06027	1.2
251.03378	1.0
253.05098	2.0
255.02988	17.9
256.03705	7.0
257.04620	8.1
258.05167	1.7
265.05029	1.4
267.03043	3.2
268.03738	1.7
269.04489	3.9
271.02588	1.1
271.06143	1.0
272.03302	1.3
273.04071	1.6
279.03085	2.5
279.06421	1.5
280.03604	1.2
281.04572	2.1
281.07944	0.9
283.02536	5.1
283.06137	2.6
284.03308	2.5
285.04047	49.1
286.04330	3.8
287.05600	10.4
288.02731	3.1
289.07196	83.2
290.07562	7.5
295.02261	1.4
296.03287	1.0
297.04007	1.8
297.07324	1.2
299.05597	18.5
300.05978	1.3
301.03632	1.2
305.04642	1.4
306.05460	1.5
307.06152	6.5
309.04178	2.4
317.04550	1.3
325.03476	1.4
329.06665	2.5
339.08783	1.6
345.04034	1.2
349.07294	1.7
359.05304	1.0
375.05222	2.0
387.04956	1.7
393.06326	2.0
405.06125	3.2
407.07639	14.0
408.08228	2.0
411.07227	100.0
412.07578	10.6
425.08875	4.2
437.08896	1.2
447.07309	5.6
448.07346	1.0
451.04962	1.4
451.10492	25.3
452.10645	3.3
461.08499	1.0
525.08160	2.0
531.09393	3.5
537.08313	1.4
541.07837	3.5
542.08783	0.9
555.09271	1.6
559.08722	13.9
560.09113	3.3
567.09698	1.8
573.10449	19.5
574.10779	3.4
577.13745	1.9
585.10187	1.3
667.49866	1.0
693.12445	15.6
694.13110	4.1
711.13568	18.5
712.13947	5.9
863.18781	4.1
864.17999	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06280	0.7
65.00212	1.4
66.47131	0.8
67.01769	1.1
69.03335	1.1
69.84077	2.9
81.03336	3.1
83.01254	10.4
89.03861	1.5
91.01777	0.9
93.03342	5.4
95.01266	2.2
95.04901	2.5
97.02829	4.8
98.20561	0.7
107.04947	0.9
108.02065	1.5
109.02840	32.8
117.03358	2.1
119.01300	0.8
119.04924	0.9
121.02841	11.4
121.06470	0.8
122.03654	1.8
123.04425	18.1
125.02341	100.0
126.02661	2.6
131.04904	1.6
133.02861	7.9
135.00793	2.2
135.04430	4.0
137.02347	42.5
138.02693	1.7
139.03955	4.1
143.04961	1.5
145.02808	2.9
146.03624	2.7
147.00775	2.7
147.04402	4.2
148.01543	2.3
149.01215	1.7
149.02356	27.3
150.03099	2.8
151.03918	13.9
153.01729	1.0
159.04456	6.3
160.01616	1.2
160.05202	1.4
161.02350	46.9
161.06009	5.5
162.03050	3.1
163.00287	22.1
163.03894	4.4
164.01083	9.7
165.01834	7.0
165.05533	1.3
166.02576	0.9
167.03400	2.9
167.04770	0.9
171.04434	2.7
173.02332	1.9
173.06000	2.6
174.03130	3.4
175.03938	20.2
175.07571	2.2
176.01164	3.8
177.01852	15.8
177.05423	1.8
178.02565	1.2
179.03406	5.4
183.04401	1.1
185.06039	4.1
186.06735	0.9
187.03935	10.4
188.04770	5.0
189.01888	2.8
189.05458	3.3
190.02534	1.4
191.03453	2.2
197.06013	1.2
198.03217	1.4
199.03911	8.6
201.01848	5.1
201.05582	4.1
202.02614	1.6
202.06291	1.7
202.99855	0.8
203.03458	3.5
203.07085	13.5
205.01363	2.7
205.05026	7.4
211.03998	2.5
212.04762	2.2
213.02063	0.8
213.05504	5.1
214.02757	1.4
215.03398	7.0
215.06992	1.2
216.04062	1.4
217.01471	1.2
217.04970	10.0
219.02954	2.5
219.06680	1.0
221.08099	1.8
223.03975	1.0
224.04576	1.1
225.05658	1.7
226.02678	0.9
227.03485	4.0
227.07170	1.9
228.04129	1.9
229.05104	4.0
230.05725	1.4
231.03000	1.8
237.05585	1.0
239.03532	1.4
240.04170	1.5
241.05026	6.6
242.02106	2.0
243.02982	17.0
243.05525	1.3
243.06596	1.6
244.03421	1.5
245.04533	7.7
245.08167	14.3
247.06137	1.2
252.04265	1.1
253.05058	1.9
255.02928	11.1
256.03702	3.5
257.04520	7.1
258.04840	1.2
261.04010	1.2
265.05066	0.9
267.02927	1.9
268.03622	1.1
269.04416	3.8
271.02783	1.0
271.06192	1.8
272.03244	2.0
273.04117	1.8
279.02988	2.0
281.04578	3.2
282.05206	0.9
283.02438	5.5
283.06210	2.6
284.03201	2.2
285.04056	48.8
286.04422	4.1
287.02295	1.6
287.05557	14.7
288.02780	2.3
289.07184	78.6
290.07495	5.1
293.04608	1.3
295.02390	1.0
297.04214	1.8
299.05603	22.8
299.08798	1.5
300.06076	1.2
301.03629	2.1
307.06137	6.1
308.06580	0.8
309.04001	2.4
324.02640	1.0
325.03574	1.6
327.05234	1.2
328.06116	1.1
329.06741	2.7
331.05966	0.9
339.08673	2.0
349.07132	1.8
373.03537	1.3
375.05237	2.4
393.06183	1.5
405.05869	3.6
407.07584	14.4
408.08191	1.7
411.07220	98.9
412.07608	9.6
413.08752	1.1
423.07251	1.4
425.08676	3.8
437.08698	1.0
447.07397	5.5
448.07434	1.0
449.08597	1.2
450.06375	1.2
451.10468	27.5
452.10641	2.3
461.08539	1.0
463.06537	0.9
525.08118	1.6
531.09082	4.5
532.09619	1.0
541.07568	4.2
559.08759	16.9
560.09406	3.3
567.09747	2.3
573.10455	20.4
574.11151	3.7
575.11932	1.7
577.13611	2.6
585.10449	2.0
693.12408	15.2
694.12769	3.9
711.13538	19.8
712.13824	4.1
737.15051	1.3
827.15491	1.1
857.66901	0.8
863.18298	4.4
864.18604	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00193	0.3
66.38382	0.2
69.44007	1.3
73.80650	0.2
90.90896	0.2
93.03337	0.6
98.26836	0.2
98.92197	0.2
107.01274	0.5
109.02851	0.3
125.02324	0.4
132.02042	0.3
135.00771	0.5
142.04112	0.2
145.02853	0.3
151.00246	0.7
152.05171	0.2
153.01836	0.6
155.04871	0.2
159.04443	0.3
163.00305	0.8
164.01109	0.3
165.01874	0.2
167.04913	0.2
169.06464	0.3
171.04404	0.3
173.05777	0.2
178.99786	0.2
183.04411	0.5
185.06020	0.6
187.03937	1.0
189.05487	0.3
192.92842	0.2
197.05984	0.2
199.03896	0.5
211.03947	1.3
213.05501	0.7
223.04004	0.2
226.02638	0.2
227.03455	26.8
228.03839	1.8
229.05005	4.4
230.05380	0.2
239.03412	0.7
240.04176	0.4
241.04929	0.5
243.03073	0.4
255.02974	37.7
256.03568	5.5
257.04526	2.5
261.09726	0.2
267.02914	0.3
269.04340	0.2
284.03265	42.5
285.04016	47.1
286.04367	2.8
309.31290	0.2
327.05112	0.5
431.09818	100.0
432.10165	9.4
693.99207	0.2
848.37939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
70.71874	12.2
78.95779	98.3
80.96389	11.0
96.05884	5.1
96.96849	24.0
111.08035	5.1
111.47900	5.8
124.48252	5.8
141.00522	5.8
144.06668	5.4
152.99524	26.8
169.12189	5.5
190.30719	5.3
192.95824	10.4
197.11754	40.6
211.13329	8.6
217.00229	8.2
223.00148	8.7
241.01175	59.2
247.00058	6.4
255.23286	100.0
256.23572	7.3
291.19449	6.8
297.03317	5.9
404.61426	6.3
691.91211	6.8
863.49457	78.2
864.49255	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	863.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03314	0.7
69.55016	1.4
71.01254	14.2
71.04914	0.3
72.99177	1.3
73.02819	2.3
75.00780	0.4
80.02548	1.1
81.03323	2.3
83.01259	2.2
83.04890	5.2
84.02032	0.9
85.02819	3.4
87.00755	3.3
89.02317	12.2
93.03316	0.3
95.01269	1.0
95.04932	0.7
97.02817	2.3
99.00774	0.9
101.02325	10.9
109.06480	0.4
111.04427	0.5
113.02332	6.0
119.03407	3.0
125.02344	5.6
125.05976	0.5
131.03409	0.6
133.78032	0.3
135.08047	0.8
139.03981	0.3
141.01834	0.4
143.03413	1.9
145.10078	0.3
161.04449	3.2
163.11191	4.7
165.12767	2.3
167.03447	0.4
179.05545	3.4
181.05020	0.3
181.12268	0.5
191.10724	1.2
199.06017	0.4
199.13362	0.5
209.11766	100.0
210.12099	5.8
217.07156	0.7
221.06645	1.5
225.97542	0.3
227.12836	12.4
228.13248	0.9
235.08186	4.5
251.12813	0.8
253.09276	1.0
255.23265	43.0
256.23618	3.9
259.08191	0.4
263.07828	0.4
287.07629	1.6
305.08951	1.5
323.09854	1.0
379.12457	7.5
380.13037	0.6
397.13483	27.2
398.13660	1.8
398.26331	0.3
415.14606	7.2
589.25061	0.4
607.26361	1.1
653.37469	0.8
740.27161	0.3
786.93805	0.4
863.49768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98671	0.2
62.05223	0.2
69.03323	1.0
71.01256	20.0
71.04890	0.3
72.99180	1.8
73.02820	2.9
75.00736	0.4
78.09305	0.2
80.02536	1.1
81.03333	2.1
83.01265	2.6
83.04902	4.7
84.02041	0.9
85.02831	4.6
87.00750	3.9
89.02321	17.1
90.02646	0.2
91.03914	0.2
95.01257	1.6
95.04902	1.0
97.02837	3.3
98.19759	0.7
99.00761	1.0
101.02325	14.4
102.02712	0.4
103.03906	0.3
109.02831	0.4
109.06496	0.4
111.00778	0.4
111.04392	0.5
113.02339	7.9
119.03403	3.8
121.02855	0.2
123.00802	0.3
123.04305	0.3
125.01430	0.5
125.02341	7.1
125.05991	0.7
126.02644	0.3
127.03879	0.3
131.03413	0.7
133.04959	0.5
135.08112	0.4
137.02318	0.3
139.03870	0.6
141.01791	0.5
143.03387	2.9
147.11710	0.3
149.04478	0.4
153.12740	0.3
161.04478	3.7
163.11221	4.0
165.11493	0.4
165.12753	2.6
167.03348	0.4
169.05058	0.3
173.80354	0.2
179.05527	4.2
181.12286	0.6
185.04430	0.3
191.10709	1.0
199.06160	0.4
199.13312	0.5
200.75433	0.2
209.11775	100.0
210.12122	6.3
211.07643	0.4
217.07130	0.7
221.06613	1.3
227.12852	19.4
228.13115	1.3
235.08202	5.8
236.08501	0.4
245.06537	0.3
251.12776	0.4
253.09196	1.0
255.23276	60.9
256.23627	5.3
259.08286	0.5
263.07742	0.7
269.24792	0.7
287.07690	1.8
305.08765	2.2
310.86017	0.3
323.09967	1.1
361.11432	0.3
379.12436	7.8
380.12613	0.5
397.13507	42.2
398.13879	3.1
415.14578	8.8
416.15036	0.6
589.24890	0.3
607.26215	0.9
625.26495	0.5
635.36804	0.3
653.37537	1.9
863.50470	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
67.54552	3.6
69.77499	18.7
82.32898	4.3
86.88506	3.3
98.19823	3.6
103.60406	3.5
109.02865	10.3
123.04447	8.8
124.71294	4.0
125.02332	100.0
133.02847	4.8
137.02353	10.4
137.53542	3.3
138.18953	4.0
149.02295	4.5
151.03906	10.5
161.02319	27.8
164.00993	6.5
165.75264	3.7
175.03923	18.4
177.01868	9.2
199.04041	3.9
217.05049	7.1
219.02965	3.6
243.02914	19.5
245.04524	8.7
255.02873	4.4
261.04132	8.3
287.05618	49.1
288.05783	4.4
289.07147	24.5
341.06601	4.1
355.69531	3.8
405.06149	7.4
407.07724	31.2
410.06384	4.2
413.08661	12.2
423.07169	6.9
425.08743	19.0
447.50610	3.6
449.08636	10.3
451.10425	14.0
481.07248	4.0
533.10382	4.0
543.09332	9.9
575.12024	9.8
577.13452	14.9
587.12134	4.7
674.53906	4.2
695.14355	13.0
696.14252	5.7
713.14380	8.3
818.50122	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	865.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01868	1.4
81.03338	1.2
83.01269	3.5
93.03300	1.7
95.01250	0.8
95.04913	0.8
97.02831	1.3
109.02849	8.8
121.02854	2.3
123.04408	5.4
125.02341	100.0
126.02648	3.4
133.02852	3.9
135.04440	2.1
137.02345	15.4
138.02737	0.8
139.03932	1.3
146.03551	0.8
146.26668	0.8
147.04401	0.9
148.91071	0.9
149.02332	3.8
150.03084	1.1
150.54694	0.8
151.03944	11.4
159.04413	1.9
161.02354	32.1
161.05983	1.2
162.02962	2.5
163.00281	2.8
163.03925	3.8
164.01077	6.9
165.01825	6.0
167.03418	1.3
173.06021	0.9
174.03160	1.0
175.03915	15.9
175.07495	1.1
176.04506	0.9
177.01857	12.5
177.05492	1.5
179.03407	2.9
187.03896	2.8
189.01881	2.5
190.02679	0.9
193.04933	1.7
199.03909	3.7
201.01822	1.3
201.05659	1.7
203.03418	3.2
203.07024	4.2
205.01413	1.4
205.04997	3.6
211.04004	1.4
215.03398	1.2
217.01393	1.0
217.05029	9.5
219.02856	5.3
219.06419	0.9
225.05574	1.5
227.03505	1.8
229.04993	2.1
231.02942	1.4
240.03860	0.8
241.04906	1.4
243.03011	23.1
243.06654	1.6
244.03368	2.5
245.04524	12.5
245.08127	7.0
246.04916	1.1
247.06013	0.9
249.84528	0.8
253.05064	1.1
255.02925	6.3
256.03702	2.2
257.04553	1.6
261.03961	8.7
269.04486	3.5
272.02975	0.9
273.04025	2.1
281.04617	1.9
282.01614	1.2
283.02463	2.8
285.04044	3.0
286.04590	1.2
287.02377	1.5
287.05618	31.7
288.05954	2.0
289.07159	26.7
290.07559	4.2
291.07977	1.2
297.03998	0.9
299.05594	4.2
315.08798	1.4
329.06851	1.2
339.08707	1.4
341.06766	2.0
381.10065	1.5
391.04401	1.5
395.07715	1.4
405.06052	6.7
406.06232	0.9
407.02341	1.2
407.07703	21.8
407.12756	1.6
408.08185	3.5
409.08725	1.1
411.06693	1.3
412.07773	1.9
413.08682	9.3
414.08804	1.3
423.07413	4.5
424.07925	1.0
425.08737	8.9
426.09109	1.5
435.07117	1.6
449.08856	8.7
450.09277	0.9
451.10370	8.3
467.10147	1.3
517.11011	0.8
525.08203	2.7
533.10889	0.9
543.09436	6.5
544.09631	1.4
557.10931	1.2
559.12195	2.3
561.10272	1.8
561.80475	0.9
569.11090	1.7
575.12134	5.1
576.12799	1.0
577.13470	8.7
578.13623	1.7
587.11713	3.5
629.13623	0.9
695.13831	10.3
696.13483	2.1
713.14972	3.2
739.16315	1.5
865.19531	3.4
873.44061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17527	0.7
71.11348	0.7
71.11673	0.8
73.87706	0.6
81.03338	1.1
81.07500	0.6
83.01257	4.1
89.03859	0.9
93.03333	1.1
95.04917	1.2
97.02837	1.6
102.39874	0.6
107.04927	1.3
109.02841	11.4
121.02845	2.3
122.03568	0.8
123.04409	8.1
125.02338	100.0
126.02679	3.6
127.60519	0.6
133.02864	4.6
135.04411	2.3
137.02348	15.0
139.03893	2.2
145.02841	1.1
146.03619	0.7
149.02353	3.3
149.06030	0.9
150.03183	1.0
151.03925	12.9
159.04431	2.5
161.02354	34.1
161.06053	1.6
162.02940	3.0
163.00253	1.3
163.03903	4.1
164.01067	5.8
165.01828	6.3
167.03415	1.3
173.05998	1.3
174.03104	1.5
175.03920	14.1
175.07434	0.6
176.01100	0.9
176.04234	0.9
177.01855	9.9
177.05492	1.0
178.02428	0.9
179.03448	2.8
183.04391	0.6
185.06065	0.6
187.03868	3.9
188.04674	0.8
189.01880	1.8
189.05498	1.3
190.02513	1.0
191.03311	1.1
193.05048	1.9
199.03969	3.8
201.01971	0.9
201.05595	2.1
203.03481	2.6
203.07063	4.7
205.01416	1.6
205.04947	4.0
211.04018	0.8
213.05501	0.9
214.02544	0.8
215.03482	0.9
217.01515	0.8
217.05008	6.9
218.05452	0.8
219.02950	3.0
221.08307	0.7
225.05521	1.3
226.05902	0.8
227.03494	2.3
227.07056	1.4
227.82246	0.6
228.04199	0.9
229.05037	1.8
231.02902	1.7
241.05031	0.7
243.02962	19.1
243.06653	1.5
244.03314	1.6
245.04504	13.0
245.08176	6.8
246.04881	0.9
247.06171	0.8
255.02954	7.0
256.03668	2.8
257.04556	2.4
261.03995	5.8
269.04596	2.6
273.04089	1.9
281.04581	2.5
282.01782	1.6
283.02597	1.4
285.04077	2.1
287.05612	29.5
288.03159	0.8
288.06024	2.8
289.07181	22.9
290.07565	2.5
295.02579	1.0
297.04163	1.1
299.05566	4.7
315.08734	1.3
327.05029	1.6
329.06757	0.9
337.07315	1.3
339.08817	2.0
341.06729	1.5
381.10031	1.1
387.04968	1.3
391.04416	0.7
395.07758	1.0
405.06180	5.4
407.07727	23.6
408.08008	3.0
413.08636	6.8
414.08960	1.1
423.07147	4.8
424.07840	0.7
425.08795	11.7
426.08838	0.7
433.09204	0.7
449.08804	6.5
450.08786	1.0
451.10355	6.7
452.10788	0.9
465.07974	0.8
467.10547	0.7
493.11008	0.7
525.08325	2.3
541.50275	0.7
543.09406	3.6
544.09564	0.7
557.10400	0.8
559.12610	1.2
561.10260	1.8
569.11255	1.9
575.11597	5.3
576.12451	1.1
577.13641	9.6
578.13861	2.0
587.11981	2.8
695.14008	6.6
696.14423	2.4
713.14990	3.3
714.16498	0.8
739.16327	1.5
740.17065	0.9
864.31592	0.8
865.20612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03806	0.9
68.71820	0.8
69.72049	1.3
69.72462	2.8
72.40639	0.7
74.06274	0.7
81.03333	1.9
81.86993	0.6
83.01257	4.0
83.04933	0.7
89.03824	0.9
93.03331	2.3
95.04905	1.3
97.02852	3.1
98.19812	0.9
100.55828	0.6
105.03362	1.0
107.04941	1.7
107.99870	0.6
108.02048	1.0
109.02841	14.2
117.03364	0.6
119.04965	0.7
121.02876	3.6
121.03648	0.8
122.03716	0.7
123.04419	9.3
125.02340	100.0
126.02714	3.2
131.04953	1.6
133.02859	6.6
135.00740	1.0
135.04414	2.7
137.02347	16.1
139.03928	2.2
139.83594	0.8
143.04883	0.7
145.02859	0.8
145.76326	0.7
147.04422	2.0
149.02324	5.0
149.06017	0.7
150.03096	1.8
151.03912	11.6
151.05058	1.0
158.03535	0.7
159.04437	3.4
160.01593	1.0
160.05132	0.7
161.02361	32.0
161.05949	1.7
162.02972	2.6
163.00290	3.0
163.03920	5.2
164.01085	7.2
165.01855	5.3
167.03448	1.4
173.06046	1.6
174.03107	1.5
175.03937	16.2
175.07556	1.0
176.01045	0.8
177.01855	13.0
177.05428	1.5
178.02269	1.5
179.03450	2.5
183.04489	1.2
187.03969	5.5
188.04698	1.0
189.01845	2.6
190.02515	1.0
193.04973	0.9
199.03976	4.3
199.07608	0.8
201.01929	1.6
201.05565	1.9
203.03453	2.6
203.07036	3.6
205.04990	4.0
211.04039	1.6
213.05443	1.2
214.02707	1.1
215.03502	1.6
217.01469	0.7
217.04996	7.6
219.02917	3.9
219.06747	0.7
219.59998	0.8
225.05486	1.1
227.03439	1.9
228.04237	1.6
229.05052	2.8
231.02966	1.7
239.03461	1.0
241.05016	1.4
243.02975	18.1
243.06619	1.4
244.03508	1.6
245.04533	9.0
245.08205	4.9
246.05078	0.8
247.05998	0.8
253.05051	1.6
255.03038	6.8
256.03693	1.9
257.04575	1.8
261.04153	4.4
267.03104	0.7
269.04544	2.0
273.04108	1.5
277.05267	0.7
281.04517	2.6
283.02646	1.6
285.04123	3.0
286.04449	1.1
287.05627	17.3
288.05936	1.3
289.07187	15.9
290.07501	2.1
295.02365	0.8
299.05505	3.3
339.08676	1.7
341.06735	0.9
381.10065	0.9
391.04593	0.8
405.06274	2.7
407.07703	15.4
408.08148	2.7
412.07394	0.8
413.08624	5.0
423.07324	2.7
425.08707	6.1
449.08664	3.3
451.10281	4.4
525.08716	1.1
543.09412	2.5
559.12970	0.8
561.10583	1.5
575.12170	4.5
577.13501	5.3
587.12146	2.4
695.14478	4.1
713.15393	2.2
739.17157	1.3
865.19830	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01276	3.2
91.35960	0.7
93.03342	0.7
95.01258	0.9
95.04919	0.8
97.02801	1.3
98.19686	0.7
107.04890	1.0
109.02840	8.6
121.02840	2.3
122.03593	0.9
123.04403	5.7
125.02342	100.0
126.02695	3.2
128.37689	0.8
132.02122	0.7
133.02846	4.0
135.04430	1.1
137.02341	12.5
139.03906	1.6
149.02342	2.8
151.03899	10.4
159.04425	1.6
161.02357	28.2
161.05948	1.0
162.02977	1.8
163.00275	2.4
163.03967	3.8
164.01094	4.2
165.01857	5.4
167.03445	1.4
172.97649	0.8
175.03917	12.2
176.04376	0.7
177.01852	9.8
179.03448	2.6
185.06079	0.9
187.03932	2.9
189.01845	1.3
189.05458	1.3
193.05031	1.1
199.03951	2.7
201.01764	0.9
201.05502	1.9
202.06233	1.3
203.03398	2.6
203.07166	3.8
203.08847	0.8
205.01366	1.3
205.05028	4.1
211.03944	1.1
213.05565	0.9
217.05011	5.5
219.02956	3.2
219.06476	1.0
225.05678	1.3
227.03450	1.2
227.06956	1.3
229.05029	2.7
231.02989	2.1
241.05077	1.4
242.02136	0.8
243.02977	20.4
243.05495	1.2
243.06554	1.2
244.03426	2.5
245.04515	11.0
245.08130	5.6
247.06216	0.8
255.02957	6.0
255.06635	0.8
256.03845	1.1
257.04407	1.5
261.04031	6.0
269.04544	2.3
271.06015	0.7
273.04062	2.6
281.04520	1.2
283.02393	1.4
285.04053	3.1
285.07608	0.8
286.04434	0.9
287.05621	30.6
288.06100	3.0
289.07196	23.4
290.07513	1.6
293.18228	0.9
299.05685	3.8
331.08472	0.8
339.08957	1.4
341.06482	1.5
363.04916	1.5
391.04630	1.0
405.06107	7.8
406.06497	1.0
407.07703	18.0
407.12732	1.4
408.08130	3.2
413.08777	7.3
414.09103	1.6
423.07114	3.9
425.08765	9.5
426.09402	1.6
435.07092	1.0
449.08850	7.1
451.10468	9.3
452.10040	1.0
467.10217	1.0
525.08319	2.0
543.09387	5.3
544.09607	1.8
559.12445	1.3
561.10046	2.1
569.11188	1.1
575.11816	7.3
577.13605	8.7
578.13586	1.5
587.12067	2.4
677.13855	1.1
695.14026	8.9
696.14636	2.6
713.15198	2.8
739.16400	1.7
865.20044	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	865.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
62.62349	0.6
70.65984	1.2
70.66306	0.8
81.03355	1.7
83.01248	4.3
93.03338	1.9
95.01258	1.3
95.04909	1.3
97.02837	2.3
107.04945	1.4
108.02065	1.1
109.02833	12.7
119.04913	0.9
121.02849	3.5
122.03610	1.1
123.04420	9.3
125.02341	100.0
126.02699	3.7
131.04933	1.1
133.02832	5.3
135.04411	2.2
137.02364	14.2
139.03877	1.7
145.02892	1.3
145.29631	0.7
147.04382	1.2
149.02382	4.2
151.03918	13.2
159.04448	2.4
161.02359	32.5
161.05983	2.0
162.02997	3.0
163.00255	3.2
163.03960	3.8
164.01082	7.2
165.01888	5.9
167.03424	2.3
171.04434	0.7
173.05966	1.2
175.03926	16.8
175.07576	1.1
176.00996	0.8
176.04242	1.2
177.01859	11.5
177.05461	1.4
179.03442	2.3
185.05998	1.4
187.03934	4.3
188.04688	2.0
189.01877	2.0
189.05479	1.1
190.02565	0.9
191.03406	1.4
193.04958	1.6
197.06047	0.8
199.03885	4.0
201.01839	1.6
201.05531	2.2
203.03433	2.6
203.07072	3.8
205.01360	1.4
205.05037	3.5
211.04002	1.2
212.04617	0.9
214.02708	0.8
215.03488	1.3
217.01450	1.3
217.04965	7.3
219.02954	3.3
225.05504	1.3
227.03464	2.1
228.04330	1.4
229.05060	2.6
231.02937	1.2
243.02959	20.9
243.06645	1.3
244.03534	1.7
245.04530	9.5
245.08145	3.6
246.05026	0.7
249.05605	0.7
253.05275	1.0
255.02924	5.9
256.03638	2.6
257.04459	2.4
261.03961	5.4
269.04504	3.6
273.04208	1.4
281.04596	2.2
282.01566	0.9
283.02405	1.5
285.04010	2.3
285.81009	0.8
287.05609	25.4
288.06012	2.3
289.07169	16.6
290.07492	1.8
297.04306	0.9
299.05597	2.0
313.07410	0.8
315.08664	1.1
329.06787	1.0
337.06998	0.9
339.08585	1.8
341.06589	1.1
381.10114	0.9
383.08057	0.9
391.04834	1.0
395.07321	0.9
405.06271	5.4
407.07703	16.1
408.07971	1.7
413.08853	6.9
414.09332	0.9
423.07175	4.7
425.08755	7.3
449.08673	6.3
451.10330	6.5
525.08191	1.1
543.09283	3.7
561.10205	1.8
569.11340	2.0
575.12024	5.7
577.13544	7.3
578.13983	1.5
587.11707	1.9
695.13995	7.0
696.14313	1.4
713.15063	2.9
739.17499	1.5
760.01318	0.8
865.20221	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	865.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03867	0.7
69.65778	1.1
69.66044	4.0
81.03342	2.0
83.01290	3.9
85.96419	0.7
92.36040	0.8
93.03313	1.6
95.01208	1.1
95.04906	1.0
97.02837	2.3
98.19862	1.2
107.04929	1.3
109.02840	10.3
110.55505	0.7
117.03394	0.7
121.02866	2.0
122.03675	1.0
123.04404	7.5
125.02345	100.0
126.02665	4.2
126.83511	0.7
131.04918	1.8
133.02846	4.9
135.04410	1.8
137.02348	15.0
138.02670	1.0
139.03900	0.9
147.04420	1.0
149.02332	3.9
149.05937	1.1
150.03090	1.5
151.03937	12.4
159.04395	2.9
161.02362	31.3
161.03708	1.6
161.05962	1.8
162.03032	1.8
163.00320	4.2
163.04007	3.6
164.01096	6.6
165.01857	5.3
167.03377	1.5
171.04454	0.7
173.05994	1.3
174.03142	0.9
175.03938	17.6
175.07764	0.8
176.04259	1.2
177.01871	12.0
178.02271	1.0
179.03423	2.5
184.67049	0.7
185.06020	1.0
187.04008	4.6
188.04739	1.4
189.01874	2.4
189.05420	1.4
190.02605	1.5
191.03455	1.2
199.03999	3.9
200.04523	0.9
201.01746	1.0
201.05583	2.2
203.03372	2.9
203.07109	4.4
205.01477	0.9
205.04971	3.5
213.05602	1.3
215.03326	1.0
216.00644	0.8
217.05035	8.5
219.02936	3.3
227.03441	2.0
227.07047	1.1
229.05000	2.4
231.02975	1.7
239.03430	1.1
243.02983	23.9
243.06604	1.5
244.03308	2.3
245.04503	10.9
245.08115	5.4
255.02960	7.3
255.06728	1.3
256.03677	2.5
257.04526	1.4
261.03961	7.6
269.04553	3.0
271.06216	1.2
273.04034	2.6
281.04605	1.6
282.01782	1.4
283.02585	2.7
285.04138	3.8
286.04517	1.8
287.05637	28.7
287.67349	0.9
288.05957	2.2
289.07184	25.0
290.07532	3.0
299.05627	5.1
303.05350	1.0
339.08801	2.1
341.06729	1.4
363.05121	1.6
365.06671	1.0
381.10016	1.3
391.04828	1.4
395.07828	1.5
397.04999	1.0
405.06293	6.8
407.07751	21.0
408.08044	3.5
412.07651	1.8
413.08649	7.4
423.07169	4.9
425.08798	12.1
435.07217	1.3
449.08755	8.4
451.10425	9.5
452.10944	1.2
467.10028	1.4
517.11237	0.9
525.08411	1.8
533.10864	1.0
543.09308	7.1
559.12012	1.1
561.10272	2.6
569.11176	1.9
575.11731	7.5
577.13397	9.1
578.13623	1.5
587.11981	3.5
677.13177	1.1
695.13855	9.1
696.14819	1.6
713.15338	3.2
739.16815	2.2
768.36456	0.9
865.19647	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	865.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03826	0.6
67.01748	0.9
68.99715	0.5
69.03334	0.4
69.82064	2.6
81.03355	0.9
83.01253	3.5
88.90596	0.4
93.03365	1.3
95.04888	1.0
97.02839	2.2
107.04916	2.0
108.02067	0.5
109.02834	11.4
117.03350	0.7
121.02864	2.5
121.03595	0.5
122.03667	0.5
123.04418	7.6
124.01591	0.8
124.04835	0.5
125.02342	100.0
126.02662	4.3
127.02883	0.5
131.04900	1.1
132.02048	0.7
133.02856	5.3
135.04408	1.2
136.05571	0.5
137.02353	13.2
138.02693	0.9
139.03912	2.1
145.02856	1.2
147.04356	1.1
149.02344	3.4
149.06013	0.9
150.03090	1.5
151.03923	12.2
152.04225	0.8
157.02942	0.6
159.04443	2.3
160.05115	0.7
161.02354	31.0
161.06001	2.1
162.03076	2.8
163.00256	3.2
163.03897	3.8
164.01070	5.3
165.01865	7.3
167.03444	1.4
173.02374	0.6
173.05995	1.5
174.03134	1.3
175.03926	18.0
175.07542	0.8
176.01068	0.9
176.04300	0.8
177.01883	10.4
177.05516	1.3
178.02307	1.1
179.03409	2.5
183.04391	1.0
185.05949	0.6
187.03957	3.9
188.04671	0.8
189.01884	1.9
189.05504	0.6
190.02553	1.0
191.03435	1.3
193.04988	1.2
199.03955	4.6
201.01990	1.2
201.05527	1.7
202.06232	0.5
203.03500	3.3
203.07112	3.7
204.00674	0.6
205.01387	1.4
205.05019	3.5
213.05487	0.9
214.02742	0.8
215.03458	1.7
216.03983	0.6
217.01518	0.8
217.05026	9.5
218.05292	0.6
219.02939	3.9
219.06523	1.0
221.08176	1.2
225.05560	1.1
227.03503	1.6
227.07033	0.9
228.04219	1.0
229.05008	2.4
231.02960	1.7
241.05013	0.9
243.00453	1.2
243.02965	24.7
243.06702	1.6
244.03395	2.2
245.04546	9.9
245.08179	5.0
246.04883	1.0
253.05196	0.8
255.02959	6.6
256.03787	2.3
257.04535	1.8
259.06189	0.7
261.04053	7.7
269.04532	3.1
270.05002	0.7
271.05991	1.2
273.03995	2.8
281.04559	2.4
282.01782	1.0
283.02679	2.3
284.03116	0.6
285.04211	2.8
285.07162	0.6
286.04785	0.8
287.05624	27.6
288.06055	1.3
289.07199	17.9
290.07458	1.7
293.04510	1.0
295.02539	0.8
297.04102	1.1
299.05569	4.0
301.03784	0.7
305.04575	0.8
315.08871	0.8
327.05017	0.7
329.06641	1.6
337.07263	0.9
339.08749	1.3
341.06622	1.4
363.05093	1.9
383.07886	0.8
387.04904	1.2
391.04660	1.1
395.07758	1.4
405.06055	5.1
406.06094	0.7
407.07700	16.6
408.08160	2.0
413.08917	6.8
423.07242	5.4
425.08762	6.6
426.09396	0.9
435.07529	0.9
449.08786	7.0
450.08765	1.1
451.10391	6.0
517.11450	0.7
525.07861	2.5
543.09259	4.4
544.10114	0.7
557.10492	0.6
559.12518	1.1
561.10608	2.1
562.10583	0.7
569.11237	1.2
575.11969	6.3
576.12341	1.3
577.13489	6.9
578.13989	1.0
587.12183	2.0
695.14044	7.4
696.15094	1.3
713.15131	1.5
739.17041	1.6
865.20660	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	867.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00187	0.6
81.03328	2.8
83.01253	1.5
93.03342	3.1
98.20596	0.9
107.01268	1.1
119.04897	2.5
123.04404	10.1
125.02324	5.7
126.02658	0.5
132.02095	0.4
135.04384	0.5
137.02336	0.6
149.02328	0.7
151.00255	1.5
151.03886	0.5
153.01833	0.5
161.02339	0.6
163.00276	0.8
167.03415	29.8
168.03726	1.4
171.04376	0.7
178.99712	0.4
179.03424	3.0
183.04451	0.6
185.05867	0.7
187.03955	1.1
189.05602	0.4
195.04288	0.6
199.03891	0.9
211.03885	1.2
213.05519	1.0
227.03438	28.6
228.03827	1.8
229.05023	3.8
239.03201	0.8
241.04996	0.9
255.02960	42.9
256.03482	5.7
257.04602	2.7
273.07672	46.6
274.07999	2.9
284.03253	50.6
285.03998	49.5
286.04376	4.5
287.04697	0.9
431.09805	100.0
432.10153	11.0
433.10330	1.0
434.10477	0.5
435.12891	5.4
489.47562	0.5
663.68188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	8.1
65.05585	0.6
71.01256	8.4
72.99205	1.1
73.02814	1.1
75.57851	0.6
80.02547	0.7
81.03330	1.4
83.01255	1.6
83.04900	5.4
85.02834	2.4
87.00744	2.0
88.98698	0.6
89.02312	8.1
93.03333	0.9
95.01263	0.8
95.04936	1.0
96.95902	0.9
97.02818	1.0
98.20538	1.5
101.02325	6.1
109.02863	1.3
113.02357	3.8
118.95589	0.6
119.03387	2.1
121.02827	0.9
123.04398	1.3
125.02345	3.9
134.03673	0.5
135.08061	1.2
136.01546	0.8
137.02332	2.3
139.03839	0.6
143.03333	0.9
145.02879	0.6
149.02379	1.4
150.03156	1.4
151.00325	0.6
151.03947	1.8
161.02361	1.6
161.04475	2.4
163.03932	0.6
163.11214	4.5
164.01033	0.6
164.04619	0.6
165.01872	1.2
165.05484	1.4
165.12778	2.5
167.03455	0.8
171.10193	0.7
175.03938	0.6
179.03557	0.5
179.05508	2.6
181.04976	0.6
181.12210	0.8
191.10762	1.3
195.06569	1.0
209.11778	100.0
210.12114	5.4
221.06567	0.7
227.12845	18.6
227.15140	0.9
228.13231	1.1
235.08206	2.5
289.07300	0.7
305.09036	1.0
323.09906	0.9
379.12515	3.0
397.13535	21.7
398.13940	1.6
415.14740	5.8
416.14816	0.8
509.74158	0.6
555.06287	0.7
607.25983	1.8
867.32281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	4.6
71.01254	18.7
72.99153	1.5
73.02799	3.6
78.95767	1.4
79.44361	0.6
81.03335	0.8
83.01252	2.3
85.02831	4.3
85.03271	0.9
87.00749	4.8
89.02318	16.5
95.01265	2.0
97.02835	3.5
99.00752	1.0
101.02325	14.1
111.62867	0.8
113.02335	7.0
119.03408	4.4
125.02335	8.7
125.09573	2.0
127.11207	1.4
138.71304	0.8
143.03406	2.1
161.04451	3.2
171.10184	100.0
172.10561	4.0
179.05534	3.4
199.06003	1.3
215.07094	1.4
217.07143	1.7
218.01012	0.8
221.06677	1.0
229.63919	0.9
234.49467	0.8
235.08199	6.7
253.09300	1.2
255.23274	65.0
256.23624	6.4
258.16263	0.9
259.08173	1.1
266.22128	0.8
277.21671	1.1
284.14334	1.6
287.07718	2.7
295.22729	1.2
297.24487	0.9
299.16595	2.8
305.08948	2.8
323.10001	0.9
379.12466	20.2
397.13507	40.5
398.13852	2.8
415.14502	8.3
551.23553	3.0
569.24786	1.5
635.36609	3.3
636.37000	0.9
653.37933	5.5
654.37579	1.5
655.32800	1.0
728.40442	0.8
863.46417	0.9
867.46545	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	100.0
62.98409	0.1
71.01273	0.2
80.96376	0.1
89.02319	0.1
100.03216	0.1
101.02305	0.1
113.02308	0.1
142.20631	0.1
171.10260	0.1
200.28870	0.1
211.13358	0.7
220.29314	0.1
274.14529	0.1
277.21655	0.4
293.21265	0.1
294.21671	0.1
397.13345	0.3
418.53214	0.1
468.01721	0.1
478.58261	0.1
869.46759	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	871.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	2.7
67.01754	1.3
69.19974	2.6
69.20403	2.2
71.01238	0.9
78.22618	0.4
80.72932	0.4
88.98718	0.6
89.02313	1.0
93.03336	0.9
96.35860	0.6
109.02862	2.0
119.04908	0.8
123.00738	1.2
123.04404	0.8
125.02330	2.4
125.75672	0.6
134.03612	1.0
135.04402	0.8
136.01558	1.8
137.02339	20.2
138.02805	0.8
139.03828	0.7
145.02876	1.3
147.00726	0.8
147.04396	0.6
148.01547	0.7
149.02325	1.3
150.03101	1.3
151.00275	3.8
151.03920	3.9
159.04503	0.6
159.09441	0.5
160.01582	0.7
161.02354	1.9
161.23221	0.5
162.03093	1.3
163.03885	2.3
163.07596	1.2
164.01050	2.1
164.04633	1.5
165.01852	100.0
166.02608	10.0
167.03349	0.6
167.71295	0.5
174.03279	0.7
175.03908	3.7
176.04657	1.1
177.01918	1.5
177.05508	2.1
177.37520	0.5
178.02644	0.6
179.03429	19.8
179.07040	1.9
180.04214	53.4
181.04993	30.1
182.05304	1.6
188.04726	0.9
189.05492	1.1
190.06262	3.3
191.03439	1.0
191.07048	2.8
192.04268	1.4
193.05048	2.9
194.05777	6.7
195.02991	3.1
195.06569	60.7
196.06955	2.7
203.07080	1.0
205.08669	3.4
206.05728	0.6
207.06554	4.0
208.07336	1.9
209.08134	4.9
210.05281	9.8
211.05829	0.7
223.06177	0.5
223.09677	0.6
225.07654	46.0
226.07951	2.4
285.04141	0.7
289.07230	1.1
301.03369	0.6
328.09683	0.5
343.11899	0.6
373.12857	1.3
375.14725	0.9
388.15286	0.7
389.16083	13.4
390.16434	1.6
403.14081	3.0
404.77075	0.5
418.16290	0.6
419.17178	1.2
451.16183	1.1
566.21100	0.7
567.22327	8.3
568.22900	1.2
596.22614	2.0
597.23389	10.1
598.23407	1.8
615.24493	3.4
627.24554	0.7
643.23914	0.7
645.25714	4.0
775.29926	4.7
776.30212	1.1
823.31714	2.7
871.33612	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	871.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	2.7
67.01754	1.3
69.19974	2.6
69.20403	2.2
71.01238	0.9
78.22618	0.4
80.72932	0.4
88.98718	0.6
89.02313	1.0
93.03336	0.9
96.35860	0.6
109.02862	2.0
119.04908	0.8
123.00738	1.2
123.04404	0.8
125.02330	2.4
125.75672	0.6
134.03612	1.0
135.04402	0.8
136.01558	1.8
137.02339	20.2
138.02805	0.8
139.03828	0.7
145.02876	1.3
147.00726	0.8
147.04396	0.6
148.01547	0.7
149.02325	1.3
150.03101	1.3
151.00275	3.8
151.03920	3.9
159.04503	0.6
159.09441	0.5
160.01582	0.7
161.02354	1.9
161.23221	0.5
162.03093	1.3
163.03885	2.3
163.07596	1.2
164.01050	2.1
164.04633	1.5
165.01852	100.0
166.02608	10.0
167.03349	0.6
167.71295	0.5
174.03279	0.7
175.03908	3.7
176.04657	1.1
177.01918	1.5
177.05508	2.1
177.37520	0.5
178.02644	0.6
179.03429	19.8
179.07040	1.9
180.04214	53.4
181.04993	30.1
182.05304	1.6
188.04726	0.9
189.05492	1.1
190.06262	3.3
191.03439	1.0
191.07048	2.8
192.04268	1.4
193.05048	2.9
194.05777	6.7
195.02991	3.1
195.06569	60.7
196.06955	2.7
203.07080	1.0
205.08669	3.4
206.05728	0.6
207.06554	4.0
208.07336	1.9
209.08134	4.9
210.05281	9.8
211.05829	0.7
223.06177	0.5
223.09677	0.6
225.07654	46.0
226.07951	2.4
285.04141	0.7
289.07230	1.1
301.03369	0.6
328.09683	0.5
343.11899	0.6
373.12857	1.3
375.14725	0.9
388.15286	0.7
389.16083	13.4
390.16434	1.6
403.14081	3.0
404.77075	0.5
418.16290	0.6
419.17178	1.2
451.16183	1.1
566.21100	0.7
567.22327	8.3
568.22900	1.2
596.22614	2.0
597.23389	10.1
598.23407	1.8
615.24493	3.4
627.24554	0.7
643.23914	0.7
645.25714	4.0
775.29926	4.7
776.30212	1.1
823.31714	2.7
871.33612	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	871.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	2.9
62.57148	1.0
67.83442	1.1
69.03329	1.0
69.34459	7.3
69.34868	2.3
71.01263	16.1
73.02828	2.2
83.01253	1.6
85.02821	3.5
87.00737	3.2
89.02328	13.7
97.02834	3.3
97.06522	1.5
100.64439	1.0
101.02320	8.5
109.02760	1.0
113.02330	4.8
115.26671	1.1
119.03429	2.1
125.02304	2.6
137.53816	1.0
139.73030	0.9
143.03323	1.0
149.23325	1.1
151.11192	11.0
161.04532	1.5
169.12262	62.3
170.12636	2.3
179.05609	1.9
213.11270	9.1
221.06653	3.5
235.08325	1.3
277.21701	17.3
278.22031	2.1
287.16574	1.5
293.21194	2.3
305.17505	2.2
397.13544	2.9
443.94595	1.1
446.37802	1.3
593.24591	2.2
611.25452	3.5
871.46997	100.0
872.47400	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	877.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03332	4.4
71.01252	13.3
71.04882	1.0
72.99178	1.3
73.02811	1.6
75.00764	0.7
78.95773	0.9
81.03326	1.1
83.01244	1.8
83.04893	0.9
85.02818	2.7
87.00737	2.2
89.02321	10.1
95.04980	0.7
97.02806	2.2
99.00757	1.1
101.02326	9.1
113.02334	3.5
116.92702	0.7
119.03394	2.2
123.08002	1.0
125.02331	3.6
125.09625	1.6
125.51945	0.6
131.03430	0.6
151.11174	2.5
157.00624	0.6
161.04456	0.9
161.09608	2.4
179.05615	0.7
179.10701	5.6
197.11757	31.9
198.12123	1.5
209.11723	4.5
221.06570	1.3
223.09650	1.1
235.08260	1.0
241.10818	2.1
255.23267	42.6
256.23618	4.2
269.24905	3.1
397.13324	3.6
415.14456	1.0
475.87329	0.7
480.63303	0.7
621.23907	0.7
727.56641	0.6
751.25806	0.8
877.48004	100.0
878.48450	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	877.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88752	0.4
69.03308	0.9
71.01253	17.1
71.53879	0.7
71.77580	0.4
72.99184	1.7
73.02817	2.2
74.11042	0.4
80.02554	1.4
81.03334	1.9
83.01275	2.7
83.04896	5.5
85.02823	3.9
87.00763	4.0
89.02314	13.8
89.70772	0.4
95.01243	1.7
95.04872	1.0
97.02836	2.4
99.00764	0.9
101.02323	13.1
111.42960	0.5
113.02328	7.3
119.03381	4.1
122.65927	0.5
125.02338	6.1
125.06026	0.7
131.03392	0.8
135.08073	0.5
139.03833	0.6
141.01822	0.6
143.03453	2.3
161.04424	3.7
163.11165	3.3
165.12747	2.0
167.03456	0.6
179.05565	2.7
179.06941	0.5
181.12289	0.8
191.10686	0.8
209.11772	100.0
210.12108	4.7
217.07042	0.7
221.06656	1.5
227.12823	12.0
235.08195	4.9
269.24854	56.3
270.25296	3.7
277.21716	3.0
283.26535	0.6
287.07773	1.6
303.95853	0.5
305.08908	1.7
323.09698	0.7
361.12015	0.5
379.12454	7.9
380.12582	0.7
397.13495	39.1
398.13800	2.7
415.14563	7.4
616.07440	0.5
667.39117	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	879.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76450	3.1
66.65953	3.9
69.89064	3.7
77.15543	3.2
83.01260	9.7
92.13213	3.4
93.03314	5.4
97.02816	4.7
109.02858	38.6
111.00766	12.6
117.92990	4.0
118.85096	3.1
121.02848	16.0
123.00757	13.1
123.04391	17.8
125.02340	100.0
126.02655	5.6
133.02846	10.9
137.02342	54.3
139.00281	17.7
139.03914	7.2
141.01761	4.9
145.02844	4.2
149.02386	26.9
150.55775	3.2
151.00259	7.4
151.03917	16.3
153.01840	9.3
161.02365	42.6
161.05945	5.3
162.02994	4.1
163.00320	26.6
163.03931	6.1
164.01065	17.0
165.01820	13.3
167.03375	8.3
170.71629	3.4
171.04482	4.8
173.44560	3.2
175.00224	3.4
175.03934	19.8
176.01068	4.9
177.01845	34.6
177.05417	5.1
179.03375	6.0
187.03960	13.9
189.01860	4.5
189.05493	5.4
191.03444	5.4
199.03978	8.5
201.02005	7.6
201.05461	4.3
203.03458	5.4
203.07101	11.5
205.04903	9.7
212.04659	5.0
213.05553	4.0
215.03352	6.4
217.05040	11.1
219.06512	4.9
227.03426	4.5
227.07162	5.0
231.03043	5.5
239.03354	6.8
241.05113	6.8
243.03038	20.9
245.04491	9.4
245.08148	10.7
255.02943	15.4
256.03665	6.2
257.04422	6.2
259.02390	6.2
265.05170	4.0
269.04645	5.0
273.03943	5.0
283.02408	8.5
284.03104	5.1
285.04062	35.0
286.04370	4.7
287.05612	16.7
289.03900	5.2
289.07141	50.8
290.07202	4.5
299.05685	13.8
301.03503	34.4
303.05212	5.2
305.06696	19.7
315.04974	4.0
323.05566	5.4
325.03629	5.2
382.34607	3.8
405.06235	4.8
407.07687	14.8
411.07217	45.0
412.07275	5.1
423.07162	9.2
425.08783	4.4
427.06729	60.3
428.07172	8.1
439.64023	3.5
449.08789	6.0
451.09998	10.9
463.07730	5.1
467.09698	10.0
547.09143	3.8
559.08728	10.8
573.09955	8.9
575.08502	10.3
577.13269	3.9
589.10114	21.7
709.11987	19.5
710.12225	6.7
727.12085	20.7
728.13135	5.3
879.18481	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	879.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85154	1.2
61.98717	1.2
69.03345	1.9
71.01255	18.6
71.04879	3.2
73.02812	3.8
81.03356	1.4
83.01263	1.4
85.02830	4.7
87.00764	4.1
89.02323	11.7
95.01165	1.2
95.04900	1.4
97.02840	6.2
97.06490	2.9
98.19730	1.7
99.00764	11.4
101.02318	11.6
109.06490	1.8
111.04402	1.5
113.02344	5.6
116.77142	1.1
119.03381	4.0
124.84898	1.3
125.02319	5.1
125.09605	5.0
140.80916	1.1
143.03410	1.8
161.04393	1.4
163.11198	5.5
171.10165	14.7
179.05693	1.4
181.12274	10.8
188.95572	1.3
197.11847	1.2
199.13304	9.6
201.11217	2.1
207.10207	24.8
208.10634	1.8
209.11786	1.3
221.06641	1.2
225.11290	40.5
226.11552	1.8
235.08035	3.0
242.85767	1.3
243.12341	9.4
255.23276	62.5
256.23621	5.8
291.19547	2.3
370.95502	1.2
379.12433	2.4
397.13651	14.0
415.14459	2.6
605.24561	3.4
623.25378	3.4
653.37347	2.6
861.48279	15.7
862.49298	2.4
879.49579	100.0
880.49780	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	881.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04137	0.6
69.22607	0.7
71.54166	0.8
74.84164	0.6
75.19669	0.8
81.91437	0.7
83.01246	0.8
85.54320	0.6
108.02050	0.9
109.02821	1.1
109.81570	0.7
121.02870	0.8
123.04372	0.7
125.02322	1.7
137.02335	1.0
151.00276	4.6
161.02374	0.7
163.00241	1.9
178.99768	2.2
203.03506	0.6
226.02695	0.7
227.03439	4.3
243.02986	6.9
255.02969	20.1
256.03372	1.2
271.02484	34.3
272.02780	3.1
280.39905	0.7
284.03284	4.8
285.03897	1.6
299.02173	0.8
300.02756	92.3
301.03403	21.9
302.03946	1.9
333.70743	0.7
433.07748	100.0
434.08023	13.5
447.09399	5.9
448.09799	0.8
628.19757	0.7
638.29584	0.8
740.98041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	7.2
63.54911	0.9
66.54945	1.0
69.03311	2.6
71.01254	23.5
71.09071	1.5
72.99163	1.2
73.02805	4.3
75.00716	1.7
76.30875	1.0
80.96379	1.1
83.01251	3.1
85.02837	5.8
85.34605	1.1
87.00731	6.0
89.02320	18.2
97.02826	3.7
99.00775	2.0
101.01707	1.2
101.02332	17.2
113.02327	8.8
119.03397	6.6
125.02361	9.0
143.03391	3.9
161.04419	4.4
167.10690	4.0
168.91995	1.1
179.05534	5.3
179.10545	1.6
179.14330	2.5
195.13824	9.2
199.06044	1.1
205.12296	10.2
206.87137	1.0
221.06572	1.9
223.13354	100.0
224.13634	5.9
235.08208	7.9
253.09177	2.0
277.21732	69.8
278.22073	5.2
287.07751	2.5
305.08716	3.2
323.09659	2.0
379.12347	10.2
397.13498	63.9
398.13867	3.9
415.14566	12.2
589.48547	1.1
603.26428	6.7
604.27252	1.8
608.40204	1.1
621.27399	5.7
657.34094	2.0
675.35925	2.1
881.48566	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	881.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	14.8
62.22784	1.7
69.03323	2.1
71.01256	30.9
72.99191	3.9
73.02815	5.1
75.00745	2.1
75.94487	1.8
81.03329	3.2
83.01265	3.2
83.04890	4.0
85.02821	7.8
87.00744	8.2
89.02327	24.9
95.01278	2.4
97.02842	4.3
97.58730	1.9
99.00766	5.4
101.02341	21.5
112.98687	5.1
113.02345	13.6
113.23633	1.6
115.00250	1.8
117.44064	1.6
119.03407	7.4
125.02341	12.4
125.09609	3.1
127.11169	3.6
137.98613	1.9
139.03906	2.1
141.56175	1.7
142.99767	5.4
143.03375	4.8
144.71529	1.6
161.04478	3.9
163.11273	2.8
165.12769	2.3
171.10184	6.7
174.01596	3.9
175.02365	4.6
179.05493	6.9
195.13809	4.1
197.11800	13.4
201.11255	79.6
202.11659	4.1
209.11778	100.0
210.12131	5.8
211.13358	15.8
221.06563	2.8
223.13377	4.5
227.12852	14.0
235.08224	10.4
253.09290	15.4
255.23271	77.6
256.23642	7.4
268.97388	1.8
275.20004	2.2
277.21783	14.1
291.19699	10.4
292.20126	1.8
293.21271	44.5
294.21609	5.2
305.08908	2.7
309.20712	25.5
310.20975	3.7
379.12427	13.4
393.89597	2.0
397.13504	66.0
398.13852	5.9
415.14645	13.4
441.17990	2.0
464.29498	2.3
476.12000	1.9
510.20193	2.0
619.06982	2.1
635.36652	2.6
653.37280	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	884.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
62.98086	0.1
71.01262	0.4
71.54112	0.2
80.96394	0.5
83.00518	0.1
83.96048	0.1
89.95655	0.1
118.41289	0.2
125.02319	0.2
127.10928	0.1
150.32980	0.2
207.10301	0.2
209.11815	0.3
225.00822	0.2
225.11407	0.3
227.12868	0.2
277.21777	0.5
397.13385	0.4
701.19012	0.2
757.27533	0.2
885.47247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	100.0
64.77438	0.2
71.01253	0.3
71.53907	0.3
72.02275	0.2
78.95784	0.4
80.96389	0.4
105.84619	0.2
139.08229	0.2
155.29092	0.2
166.87970	0.2
173.53717	0.2
207.10283	0.6
208.38570	0.2
209.11926	0.5
225.00906	0.2
225.11523	0.2
227.13040	0.2
277.21893	0.2
291.19904	0.2
293.21408	0.3
342.22247	0.2
381.87225	0.2
397.13635	0.7
810.49817	0.6
885.48352	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.502
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
71.53633	0.2
78.91754	0.2
80.96406	0.3
94.42486	0.2
101.71520	0.2
138.27704	0.2
158.48846	0.2
330.74121	0.2
400.33643	0.2
417.32922	0.2
799.40277	0.2
867.58459	0.2
884.45758	0.2
885.46191	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.225
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	43.0
63.02264	3.0
63.99113	1.1
65.00194	1.6
66.29090	0.9
78.20012	1.1
83.01271	2.4
93.03337	4.3
104.42433	1.0
107.01282	6.4
109.02833	1.4
117.03357	19.7
119.04924	31.4
121.02860	2.9
123.04393	2.5
125.02332	3.1
137.02304	1.8
143.04912	1.0
145.02861	69.0
146.03235	2.3
151.00299	9.7
151.03957	1.3
157.06517	1.4
159.04424	2.9
163.00290	1.9
163.03908	19.1
164.01031	1.6
169.01321	1.7
172.70372	1.2
175.03836	1.4
183.04463	3.5
185.06117	1.1
187.03947	7.6
199.03932	1.0
199.50809	1.1
201.05414	1.4
205.04948	2.0
211.03865	2.9
213.05545	1.2
227.03458	28.6
229.05005	8.5
239.03354	1.3
255.02975	59.4
256.03448	6.0
257.04572	7.4
273.07568	2.0
283.02487	14.0
284.03271	48.5
285.04044	100.0
286.04468	6.5
289.07211	1.4
291.08762	1.5
437.12399	23.7
438.12714	3.7
447.09161	4.3
461.17163	1.3
559.12170	3.5
577.13318	4.6
578.13135	1.2
723.17194	82.8
724.17584	21.2
885.22321	9.3
886.23401	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	885.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98710	0.6
62.87034	0.1
67.01759	0.2
68.99686	0.3
69.03330	0.8
71.01255	13.8
71.04879	0.3
71.53724	0.1
72.01570	0.2
72.99177	1.3
73.02824	2.3
75.00754	0.2
79.95628	0.2
80.02551	1.1
81.02876	0.2
81.03336	2.0
82.54008	0.1
83.01255	1.7
83.04898	5.6
84.02039	0.8
84.05237	0.2
85.02824	3.6
85.99966	0.1
87.00755	3.5
87.04382	0.2
89.02321	11.4
90.02654	0.2
91.03882	0.2
93.03345	0.4
95.01265	1.1
95.04911	0.7
97.02833	2.2
97.06477	0.3
99.00742	0.7
99.04412	0.2
101.02324	10.7
102.02645	0.2
109.02845	0.4
109.06471	0.3
111.00767	0.3
111.04391	0.4
111.08013	0.1
113.02334	5.7
115.03909	0.2
115.66605	0.1
119.03389	2.8
119.19288	0.1
121.02863	0.2
123.00755	0.2
123.04446	0.2
124.01605	0.1
125.02345	5.3
125.05959	0.6
125.09581	0.2
127.03897	0.3
127.07572	0.2
131.03395	0.6
133.04987	0.2
135.08044	0.8
137.02306	0.1
139.03915	0.5
139.07571	0.1
141.01833	0.4
143.03410	2.2
145.04890	0.2
147.11653	0.2
149.02397	0.1
149.04486	0.3
159.02907	0.1
161.04472	3.2
162.07674	0.1
163.11198	4.2
164.11520	0.2
165.12770	2.9
166.13156	0.1
167.03471	0.3
169.05032	0.2
179.03777	0.2
179.05527	3.3
180.06001	0.1
181.05016	0.1
181.12276	0.7
185.04512	0.1
191.10719	1.2
195.13776	0.1
197.11752	0.1
199.06067	0.4
199.13330	0.4
207.10103	0.1
209.11775	100.0
210.12117	5.8
211.13391	0.3
217.07124	0.6
219.04991	0.2
221.06624	1.4
223.13278	0.2
225.11259	0.2
227.12842	10.2
228.13211	0.6
233.22871	0.2
235.08212	4.1
236.08446	0.2
245.06586	0.2
251.12959	0.5
253.09311	0.7
259.08273	0.3
259.20914	0.2
263.07712	0.5
275.20117	0.2
277.21725	39.2
278.22064	3.8
278.24969	0.2
287.07697	1.6
291.23184	0.3
293.21231	0.3
301.09314	0.2
301.21393	0.1
305.08752	1.6
323.09738	0.8
379.12479	4.6
380.12845	0.4
397.13504	27.4
398.13803	1.9
413.17972	0.1
415.14575	7.0
416.14694	0.6
589.25201	0.5
607.25989	1.0
675.36334	0.3
811.49469	0.3
885.47809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	0.4
68.99689	0.2
69.03332	1.2
70.04933	0.3
70.05328	0.5
71.01254	15.9
72.01591	0.3
72.99172	1.5
73.02814	2.7
75.00751	0.4
80.02538	1.0
81.03325	2.0
83.01263	1.8
83.04897	5.1
84.02047	1.0
85.02336	0.3
85.02822	3.6
85.99957	0.2
87.00754	4.0
89.02319	12.6
91.03855	0.3
93.03342	0.3
95.01276	1.4
95.04895	0.7
97.02832	2.6
99.00767	1.1
101.02326	11.4
102.02665	0.2
103.00291	0.2
109.02857	0.3
109.06458	0.2
111.04414	0.6
113.02332	6.8
115.03865	0.3
115.72015	0.2
119.03397	3.6
121.02849	0.5
123.00767	0.2
124.01575	0.2
125.02344	5.5
125.05972	0.5
125.09505	0.2
126.02666	0.2
127.03912	0.5
131.03378	0.5
133.04926	0.6
135.08081	0.8
137.02365	0.2
139.03908	0.6
141.01813	0.4
143.03401	2.9
145.04912	0.2
147.11728	0.3
161.04471	2.5
163.11201	4.9
164.11546	0.3
165.12764	2.4
167.03435	0.4
169.05066	0.2
179.03920	0.2
179.05515	3.8
179.06969	0.3
181.12206	0.8
191.10683	1.1
199.06067	0.4
207.10359	0.2
209.11771	100.0
210.12105	6.5
212.83148	0.2
217.07153	0.6
219.04955	0.3
221.06593	1.3
227.12839	11.4
228.13249	0.8
235.08176	5.1
236.08397	0.2
251.12840	0.5
253.09279	0.9
259.08289	0.2
259.20709	0.5
263.07785	0.5
275.20154	0.3
277.21719	49.9
278.22046	4.1
287.07693	1.6
291.23209	0.2
293.21146	0.2
305.08771	1.8
323.09732	0.8
361.11597	0.3
379.12460	5.2
380.12735	0.3
397.13492	33.2
398.13818	2.4
401.62555	0.2
415.14575	8.6
416.14926	0.7
589.24939	0.5
607.26074	0.7
627.85101	0.2
650.31635	0.2
675.36090	0.5
703.52179	0.2
842.68628	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	1.4
67.23419	0.1
69.33510	0.2
69.33910	0.8
71.01256	2.5
72.99175	0.2
73.02831	0.5
74.80606	0.1
83.01263	0.2
85.02814	0.3
89.02319	3.4
93.03381	0.2
98.19831	0.3
99.00775	0.7
100.74104	0.1
101.02316	1.5
102.28589	0.1
107.04871	0.3
113.02328	0.3
122.03645	0.1
123.04395	0.2
125.02386	0.8
131.03403	1.8
135.04417	8.8
136.04765	0.5
137.02353	0.3
145.02827	0.2
149.02426	0.3
149.04453	2.5
149.05876	0.2
150.03075	0.2
151.03883	0.3
159.89610	0.1
161.02330	0.6
161.06024	0.2
163.03923	62.8
164.04248	2.6
165.01796	0.3
171.96902	0.1
175.03862	0.2
177.05540	0.4
177.22812	0.1
178.06277	63.8
179.03395	0.2
179.06621	3.5
180.04231	0.2
191.05585	1.0
193.08638	100.0
194.08965	5.1
195.06517	0.3
205.05022	0.2
225.07664	0.2
289.07129	0.2
497.14426	0.2
517.24365	0.1
540.15405	0.1
693.87451	0.1
715.65149	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	887.465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	5.3
62.18074	1.8
71.01247	10.9
71.53381	1.7
72.99203	2.4
73.02825	2.0
76.91691	1.9
87.00729	2.3
89.02323	10.8
94.40032	1.8
96.95876	5.0
97.06520	3.0
101.02319	7.3
113.02341	3.9
116.92749	2.4
119.03400	2.3
125.02347	5.3
151.03964	2.0
151.11220	9.8
161.02299	2.3
169.12257	51.0
169.13652	3.9
170.12645	2.1
195.13861	2.8
206.23666	2.0
209.11757	1.9
213.11284	6.7
214.11612	1.9
223.13264	2.1
293.21185	9.2
297.09836	1.7
438.46429	2.3
611.25079	3.7
758.20404	1.8
792.25189	2.0
887.46460	100.0
888.46661	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4649
Annotation	Nostophycin
Peak:m/z	Relative Intensity
61.98706	5.7
64.91291	1.8
69.70711	6.0
69.71119	3.0
70.53190	1.8
71.01254	10.9
83.01248	2.6
87.00751	2.6
89.02306	8.9
93.26118	1.6
96.95876	2.5
97.02869	2.5
97.06476	2.0
98.20440	2.9
101.02317	7.2
109.02846	2.4
113.02362	4.1
115.22292	1.6
125.02322	3.5
130.90794	1.9
137.02380	2.4
138.74742	2.2
151.11182	9.1
169.12283	34.3
195.13885	5.3
213.11295	5.0
222.87608	1.8
223.13316	3.0
275.20114	2.3
293.21225	19.4
445.37137	2.1
527.28137	2.0
527.89233	2.1
533.72552	1.9
574.44305	1.9
624.53345	2.1
887.46588	100.0
888.46790	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	887.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	12.7
63.99129	0.8
69.03315	1.3
69.86667	2.3
71.01250	18.2
72.99173	1.4
73.02824	1.5
78.95796	1.1
79.82212	0.8
79.95646	1.0
80.02541	1.0
80.96371	1.4
81.03318	2.5
83.01248	2.2
83.04900	4.9
84.02052	0.9
85.02831	3.7
85.54620	0.7
87.00742	5.2
89.02320	13.7
95.01286	1.0
97.02843	3.3
97.39028	0.7
99.00744	1.0
99.67829	0.7
101.02325	12.5
106.28096	0.7
113.02340	6.9
119.03419	2.5
125.02334	6.9
143.03355	1.8
161.04483	3.2
163.11179	4.4
165.12737	1.8
166.25395	0.7
179.05487	2.7
191.10738	0.9
192.82939	0.7
209.11774	100.0
210.12131	6.1
217.07195	1.2
227.12854	12.3
235.08180	4.4
253.09254	1.0
277.21597	0.9
279.23288	56.3
280.23682	4.9
287.07776	1.1
295.22809	1.3
305.08893	1.4
323.09869	1.1
379.12399	6.7
397.13489	37.3
398.13821	2.4
415.14465	7.8
589.24976	1.2
607.25220	1.0
636.19244	0.8
814.53229	1.6
887.47955	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	889.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98713	2.1
69.84044	1.7
69.84435	1.6
71.01253	17.2
71.77171	0.7
73.02826	2.7
81.03307	0.9
83.01256	1.6
85.02836	4.5
87.00759	4.9
89.02319	16.4
90.57606	0.8
95.01276	1.4
97.02837	3.0
98.20512	1.6
101.02328	10.9
111.04360	0.8
113.02342	9.3
119.03400	3.4
125.02350	7.7
125.09667	1.0
127.11209	1.8
131.03445	1.3
143.03410	2.6
153.09172	0.9
161.04469	3.4
171.10191	100.0
172.10513	3.4
179.05481	3.9
209.11710	5.3
210.12164	2.0
221.06607	1.4
223.44536	0.8
227.12872	1.1
231.53630	0.8
235.08170	5.2
245.06505	0.8
253.09261	0.8
259.08328	1.2
277.21732	55.9
278.22073	4.3
279.23480	1.1
280.23630	1.0
281.24603	1.0
287.07916	1.2
305.08878	2.5
379.12473	13.3
380.12781	0.9
397.13525	39.9
398.14029	2.6
415.14548	7.6
551.23425	3.2
569.24597	4.4
634.18488	0.8
675.35590	1.1
760.57050	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	2.6
71.01252	18.4
72.99186	1.4
73.02824	3.0
85.02816	4.1
87.00770	5.8
87.68241	1.0
89.02323	15.3
94.32624	1.3
95.01260	2.1
96.95895	1.5
97.02834	1.4
98.19678	2.8
101.02321	11.3
113.02365	7.6
119.03371	2.5
122.52699	1.0
125.02337	8.4
125.09592	1.5
127.11166	2.3
143.03368	2.9
161.04445	2.9
171.10187	100.0
172.10497	2.5
179.05498	3.5
195.26358	1.4
209.11746	2.5
217.07208	1.1
229.75671	1.3
235.08212	5.2
277.21732	67.5
278.21912	6.3
287.07733	1.5
305.08771	2.3
379.12427	16.7
397.13516	51.6
398.13788	2.1
415.14691	10.1
435.95905	1.3
455.49612	1.2
551.23395	2.9
569.24005	1.9
657.34521	1.7
675.35687	3.6
743.57483	1.2
769.43427	1.2
815.52502	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	889.517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	1.6
62.69353	0.5
69.03338	1.9
69.59243	0.5
70.68904	1.8
71.01257	17.9
72.99173	1.3
73.02819	2.5
75.32153	0.6
78.68472	0.6
80.02548	1.1
81.03325	1.9
83.01260	2.4
83.04899	5.2
84.02038	0.7
85.02836	4.5
87.00755	3.8
89.02318	13.6
95.01254	1.2
97.02824	1.8
99.00781	0.9
101.02323	12.8
113.02338	7.4
116.92751	2.4
119.03417	3.6
125.02334	7.3
125.06014	0.7
135.08101	0.8
139.03941	0.7
141.01826	0.9
143.03397	2.3
145.04881	0.6
148.78960	0.5
161.04466	3.7
163.11217	4.0
165.12737	2.8
179.05609	2.7
191.10681	1.3
202.28938	0.7
209.11781	100.0
210.12100	5.2
221.06590	1.6
227.12839	10.7
228.13124	0.8
235.08217	5.9
235.13451	0.7
253.09372	0.8
259.08160	0.7
263.07687	0.6
281.24860	58.0
282.25168	6.8
287.07700	1.6
301.37799	0.6
302.12805	0.6
305.08923	1.5
323.09833	0.8
379.12442	6.5
397.13525	36.7
398.13919	2.6
415.14468	7.6
416.14618	1.0
435.24954	0.6
591.16467	0.7
679.38660	1.2
756.89990	0.6
871.50879	0.6
875.91254	0.7
889.51404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29544	0.6
69.03326	0.9
71.01259	17.5
72.99187	1.8
73.02822	2.3
78.95776	8.5
80.02557	1.3
81.03285	1.5
83.01255	1.7
83.04902	4.7
84.02021	0.8
85.02826	3.9
87.00745	4.8
88.24172	0.6
89.02321	12.0
95.01265	2.1
95.04875	0.8
97.02836	2.1
99.00751	1.6
101.02317	11.8
111.04374	0.6
113.02319	7.2
119.03398	3.5
125.02349	5.1
139.03836	0.7
141.01849	0.6
143.03401	2.2
144.64609	0.6
152.99553	0.6
154.19971	0.6
161.04428	2.8
163.11159	4.0
165.12810	1.4
179.05560	3.5
181.12285	0.8
191.10612	0.9
194.96762	0.6
209.11775	100.0
210.12097	6.1
221.06541	1.1
227.12840	11.9
235.08197	5.4
253.09216	1.4
255.23219	1.6
259.08173	0.8
283.26422	54.0
284.26801	5.2
287.07764	1.5
297.27948	0.8
305.08633	1.7
323.09836	1.1
378.86368	0.6
379.12485	6.7
397.13486	38.8
398.13895	2.8
415.14493	7.6
510.60233	0.7
540.13916	0.7
607.26019	0.9
631.07367	0.8
681.40417	1.0
753.39044	1.3
891.43353	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	897.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02267	6.0
65.00201	15.1
72.00781	2.3
83.01248	10.5
93.03349	3.5
107.01266	24.3
109.02814	5.6
123.04406	9.6
124.01519	4.8
125.02345	23.0
137.02330	4.0
139.03874	2.8
145.02844	7.0
147.04405	3.8
149.02322	6.6
150.99144	5.3
151.00282	82.8
151.03931	5.6
152.01073	17.7
153.01817	5.7
159.04407	4.4
161.02364	12.8
163.00247	9.5
165.01793	3.7
169.01317	8.9
173.02327	3.5
175.03854	5.5
178.99794	38.9
187.03870	6.3
188.51239	2.5
189.01860	3.7
189.05499	3.4
190.99854	2.8
193.01292	3.7
201.05411	3.7
205.04997	2.7
211.03952	6.9
213.01692	2.8
213.05518	4.5
215.03441	6.3
217.05162	3.0
225.05463	4.1
227.03397	6.9
228.04135	3.0
229.04929	5.8
229.19807	4.3
231.02950	4.8
239.03429	11.3
241.04984	6.1
242.02182	4.3
243.02927	11.0
247.06219	2.8
251.03429	3.4
253.05084	3.9
255.02936	13.5
256.03677	5.6
257.04480	11.2
258.05273	4.0
267.02979	5.2
268.03592	4.6
269.04480	4.5
271.02481	5.5
281.04578	3.6
283.02579	3.8
285.03955	6.1
293.04544	2.6
295.02515	17.1
295.41330	2.9
296.03323	23.1
297.04105	15.5
313.03622	5.8
323.01498	3.0
339.05005	3.1
340.02267	14.2
341.02982	29.7
351.04929	6.4
363.08795	3.1
393.06100	8.2
407.07605	5.6
541.22992	3.7
545.10968	12.1
571.08301	6.0
572.09186	3.2
589.09821	14.8
649.13745	4.9
745.17133	10.7
853.22784	5.0
897.20905	100.0
898.21375	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
63.21561	0.3
67.01761	0.5
69.03303	3.1
71.01252	15.1
71.04857	0.5
71.54259	0.6
72.99197	1.0
73.02819	2.2
75.00720	0.4
81.03320	0.7
83.01268	1.6
83.04893	0.4
84.04147	0.4
85.02827	3.7
87.00311	0.4
87.00739	2.6
89.02319	11.4
95.01279	1.5
95.04882	0.6
96.25661	0.4
97.02803	2.1
99.00764	1.0
101.02324	10.0
106.30795	0.4
106.70668	0.4
109.06441	0.4
111.00808	0.5
111.08064	0.4
112.79430	0.4
113.02325	6.0
119.03373	3.1
125.02338	5.0
131.03386	0.4
133.04964	0.6
135.11597	0.5
139.03842	0.4
143.03401	2.1
149.09572	0.7
161.04500	2.6
161.13269	0.4
162.52989	0.4
167.10701	2.8
177.12793	0.6
179.05530	3.7
179.10718	0.7
179.14342	3.3
195.13844	13.9
196.14397	0.9
205.12273	7.5
205.16040	0.4
211.13263	0.5
221.06650	1.5
223.13345	68.4
224.13742	3.9
225.15034	0.7
235.08136	3.5
253.09167	0.6
256.13129	1.3
265.21832	0.6
275.20193	4.5
276.20416	0.5
287.07724	1.4
293.21222	100.0
294.21582	7.9
305.08823	1.3
317.21237	0.4
323.09747	1.5
325.78262	0.4
379.12555	2.7
397.13498	31.7
398.13727	2.5
415.14545	12.4
416.15027	0.7
499.34598	0.9
549.57452	0.4
562.88812	0.4
603.26605	3.6
604.25995	0.5
621.27557	8.8
622.27588	1.1
636.87415	0.4
673.34210	0.9
676.21014	0.4
691.35651	1.9
833.46649	0.5
894.01398	0.6
897.48175	0.7
927.09113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96101	1.4
69.03334	0.4
70.76637	0.5
70.76968	0.6
71.01250	7.8
73.02828	2.0
78.95773	3.1
78.98465	5.9
79.95606	12.1
80.96392	76.3
81.96327	0.5
85.02827	2.8
87.00755	2.9
94.97961	17.0
95.01237	0.4
96.95892	1.1
97.02813	1.4
99.00774	0.9
99.04395	0.5
101.02335	2.6
106.97990	2.3
122.97456	3.2
125.02328	3.5
127.03892	0.7
134.97475	5.6
136.99033	1.7
139.65184	0.3
141.01598	4.9
143.99020	1.4
148.99060	6.8
152.98508	5.3
152.99519	0.5
161.04489	0.5
162.95572	0.5
164.98538	13.0
171.10208	0.7
177.78268	0.5
186.87944	0.5
206.99677	3.2
223.01965	0.7
224.65494	0.4
225.00700	18.7
232.97588	0.5
241.01183	1.1
243.01730	0.5
255.23271	2.7
277.21799	0.8
283.04712	0.8
299.04642	0.7
305.02347	1.4
344.82397	0.4
368.68964	0.4
387.02643	1.0
537.27435	1.0
559.25891	2.9
560.26373	0.6
815.49847	100.0
816.50116	24.9
897.53326	2.1
898.54480	0.5
904.38721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03315	2.1
69.66345	1.1
71.01257	100.0
71.47282	1.1
71.54120	1.4
72.99176	2.9
73.02823	3.9
75.00744	13.4
83.01255	3.9
85.02812	6.0
87.00758	5.0
89.02316	21.5
89.02828	1.8
95.01280	1.3
95.04906	1.8
97.02826	6.7
99.00761	2.3
101.02331	15.7
102.42079	1.5
109.02847	1.9
109.06477	4.1
111.04359	2.0
113.02347	9.0
115.96760	1.1
119.03384	4.9
125.02345	7.7
125.09650	2.5
127.11223	2.0
135.08057	1.4
143.03404	3.3
161.04460	2.8
163.11172	3.8
170.46370	1.3
171.10191	46.6
172.10497	1.6
173.04535	1.1
179.05510	3.8
181.12291	2.6
199.09676	7.4
201.11296	11.3
207.10205	15.8
208.10738	1.5
209.11827	1.7
215.12947	1.5
221.06584	3.0
221.11812	6.7
223.13255	1.4
225.11252	11.1
235.08076	7.1
239.12817	5.1
243.12367	2.3
255.23273	66.4
256.23575	5.5
277.21573	2.6
287.07635	1.5
323.09851	1.5
379.12482	6.6
397.13501	40.2
398.14075	1.9
415.14648	10.2
472.18973	1.3
835.46490	1.8
861.48767	9.3
862.49060	3.2
879.50214	2.1
897.50525	14.7
898.50092	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	898.393
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98401	48.1
69.36195	56.4
69.36615	83.0
71.01264	60.8
73.02832	22.6
85.02851	21.5
97.02798	18.6
98.20601	39.7
101.02377	21.3
113.02320	29.7
121.02848	25.7
123.04383	27.9
125.02343	83.8
137.02328	32.8
149.02333	41.2
150.03195	27.0
151.03906	24.7
160.01585	34.0
165.05463	23.8
167.32481	21.5
175.03983	53.4
177.01891	29.4
194.41345	20.7
202.39522	26.2
205.05145	22.7
209.11749	100.0
227.12709	27.1
288.20337	22.0
289.06985	27.8
301.07205	29.7
330.99884	20.7
474.86038	23.1
839.40515	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00189	0.6
69.24484	5.0
75.50654	0.5
98.19711	1.1
107.01254	1.7
108.02026	0.9
109.02839	21.3
110.03191	0.6
117.03304	0.7
119.04894	1.5
119.08640	0.6
121.02849	2.2
123.04413	11.2
125.02305	0.6
133.02863	2.8
135.00804	1.1
137.02391	0.6
145.02827	1.5
147.04417	4.2
149.02354	0.7
150.03142	0.8
151.00284	5.4
151.03880	5.0
152.00760	0.5
152.04114	0.6
159.04448	0.8
161.02351	6.5
163.00244	1.5
163.03926	0.9
163.14110	0.5
169.01277	0.6
175.03831	0.6
177.01860	22.4
178.02225	1.1
178.99823	2.6
187.03947	1.2
189.01862	46.2
190.02605	10.3
191.03436	9.8
192.03757	0.6
203.03435	5.3
214.29056	0.5
216.00623	6.7
217.01370	37.7
218.01976	3.5
219.02928	15.7
220.03133	1.0
222.01697	0.6
227.03413	1.2
231.02960	8.7
232.03427	0.9
233.04419	1.0
243.02917	2.6
244.03458	0.6
245.04465	1.2
255.03009	7.9
256.03287	1.5
257.03375	0.5
271.02475	14.9
272.02780	2.7
273.03360	0.8
274.03241	0.6
281.04382	1.2
283.02444	1.1
289.07071	2.6
297.07629	1.0
299.02051	0.6
299.05447	0.8
300.02734	22.4
301.03467	17.4
302.03699	4.5
302.48477	0.6
303.03775	2.4
304.04413	0.9
323.05664	1.8
341.06653	80.4
342.07001	8.2
352.30353	0.5
390.88245	0.5
447.09296	19.2
448.09625	5.6
449.09839	4.0
450.09967	2.7
451.10352	100.0
452.10703	12.3
682.41833	0.6
692.79993	0.6
915.87488	0.6
929.75275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84450	0.5
64.91798	0.5
69.03331	3.3
69.03653	0.5
69.64720	3.5
71.01257	80.3
72.01615	0.8
72.99175	2.9
73.02821	100.0
74.03158	1.0
75.00748	1.7
76.88748	0.6
81.03329	0.8
83.01260	32.4
85.02827	9.4
86.87781	0.6
87.00748	2.2
89.02316	13.2
93.03342	1.3
95.01254	2.5
96.43858	0.5
97.02828	1.7
99.00749	1.1
101.02325	85.9
102.02666	2.5
111.04302	0.6
113.02336	32.5
119.03391	10.3
121.02784	0.8
122.03667	0.7
123.04417	52.9
124.04719	1.5
125.02332	6.4
131.03386	8.6
133.02853	0.7
137.02365	0.9
143.03394	9.5
147.02931	0.6
149.02455	0.9
149.04463	18.4
150.03148	0.6
151.03902	1.3
153.05484	72.1
154.05768	2.2
155.03421	3.8
161.04471	33.2
162.04741	1.5
165.01761	0.7
175.03886	1.0
179.03377	0.7
195.06633	0.8
203.05536	4.7
205.05060	1.3
214.94426	0.5
221.04527	1.1
221.06609	12.6
289.07251	1.0
315.10977	0.8
417.21280	1.0
481.20859	9.5
482.20886	1.3
542.43805	0.6
883.50452	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	2.6
69.25246	1.1
69.25646	4.4
71.01254	65.4
72.01594	1.3
72.99200	2.9
73.02821	17.9
81.03320	2.5
83.01257	8.2
83.04889	2.7
84.02038	0.7
85.02824	25.7
87.00752	4.0
88.51042	0.5
89.02314	15.7
93.03340	7.2
95.01263	5.0
95.04906	1.3
97.02837	4.3
99.00760	6.6
99.04346	0.6
101.02322	41.4
109.02842	1.9
111.00735	2.3
111.04412	2.8
113.02330	19.2
113.56747	0.6
119.03381	7.0
121.02834	6.2
123.04388	2.7
125.02335	7.4
131.03398	1.3
133.02893	0.7
134.03616	1.4
137.02312	2.2
139.00305	0.6
139.03922	0.9
143.03392	4.1
149.02335	1.2
149.05957	2.1
150.03102	1.9
151.03856	1.5
159.02844	2.9
161.02405	1.4
161.04459	15.0
165.05522	1.6
167.03506	0.6
175.03940	1.0
179.05536	3.9
181.05051	0.7
193.04967	1.8
205.03407	0.9
205.05051	1.2
221.06686	3.4
245.06535	0.9
263.07733	2.0
276.86044	0.6
285.03964	0.8
289.07242	1.1
301.07101	0.9
315.02121	0.6
319.51904	0.6
323.09814	6.5
435.14813	0.7
497.28891	0.9
515.30127	10.4
516.30426	1.6
677.35425	17.7
678.35309	3.6
839.40674	100.0
840.41058	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	899.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	3.4
70.26718	2.2
70.27084	1.9
71.01254	17.4
71.04861	1.3
72.99181	2.7
73.02819	2.8
78.95763	1.3
83.01273	2.1
85.02834	3.0
86.06149	1.0
87.00751	3.6
89.02314	9.1
89.22219	1.1
95.01254	1.1
97.02830	3.1
101.02329	10.0
113.02367	4.9
115.00233	3.4
119.03356	1.7
125.02329	3.2
151.11118	2.1
161.04459	1.4
161.09618	2.5
166.36983	0.9
168.87671	1.2
171.10136	1.3
175.02393	4.3
179.10695	4.3
182.76875	1.0
197.11774	59.2
198.12070	3.9
211.13342	3.3
221.06580	2.3
223.04347	1.0
223.09807	2.0
241.10777	3.5
241.14326	1.5
266.91891	1.1
277.21725	23.1
278.22067	2.1
295.22641	1.4
397.13416	2.5
415.14227	1.3
483.86551	1.1
496.87299	1.1
510.48135	1.2
639.24750	1.3
657.13434	1.1
737.45062	1.8
808.59698	1.2
899.46436	100.0
900.46729	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01074	0.3
69.03334	1.1
71.01259	11.4
71.04901	0.5
71.11797	0.7
72.99178	1.0
73.02816	2.1
77.25639	0.3
80.02560	1.5
80.30191	0.3
81.03318	1.7
83.01260	1.2
83.04896	6.2
84.02068	0.7
85.02824	3.5
87.00758	2.9
89.02317	12.4
93.03358	0.5
95.01274	1.2
95.04900	0.7
97.02831	2.1
99.00752	1.3
101.02323	10.6
103.03959	0.4
113.02332	6.2
114.02679	0.5
119.03416	3.0
125.02345	4.9
125.05977	0.6
127.03896	0.4
127.12127	0.4
135.08063	0.8
139.03908	0.7
141.01843	0.5
143.03406	2.4
161.04457	2.5
163.11200	4.4
165.12753	2.3
179.05536	3.5
179.14394	0.5
181.12251	0.9
183.13824	0.6
191.10713	1.2
195.13844	6.0
196.14572	0.6
205.12358	0.6
209.11774	97.2
210.12126	6.4
211.13383	0.6
217.07065	0.6
221.06599	1.4
223.13354	3.7
225.14938	0.6
227.12834	11.9
228.13315	1.1
235.08209	5.1
253.09337	0.9
256.13147	0.6
263.07614	0.4
275.20172	3.9
279.12857	0.3
287.07669	1.6
293.21231	100.0
294.21555	11.3
305.08755	1.6
323.09781	1.0
357.06033	0.4
362.23019	0.4
379.12411	3.5
386.84961	0.4
397.13495	41.5
398.13910	3.7
415.14566	12.6
416.14862	1.6
519.40967	0.4
607.26166	2.3
608.26404	0.7
691.35480	0.6
801.03577	0.4
832.41357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	1.0
71.01253	14.8
71.21049	0.4
71.30419	0.2
72.99183	0.9
73.02814	1.8
80.02552	1.0
81.03327	1.6
83.01261	1.4
83.04891	4.3
84.02034	0.5
85.02824	3.1
87.00753	2.9
89.02316	11.5
90.02596	0.3
94.75471	0.2
95.01263	1.5
95.04906	0.7
95.68954	0.2
96.95919	0.2
97.02840	1.6
97.06449	0.3
99.00758	0.9
99.04423	0.2
101.02322	10.3
109.06476	0.3
111.00785	0.4
111.04440	0.4
111.08046	0.4
113.02330	5.8
113.09573	0.3
115.03873	0.3
119.03377	3.0
121.02850	0.3
125.02344	4.4
125.05961	0.6
127.03923	0.4
131.03389	0.3
133.05055	0.3
135.08046	0.9
139.03909	0.6
143.03395	2.0
161.04466	2.1
163.11205	3.9
165.12735	2.3
167.03441	0.3
171.10156	0.5
179.05527	3.5
179.14330	0.7
181.12238	0.8
191.10712	1.2
195.13841	6.8
196.14409	0.8
203.05174	0.3
205.12267	0.6
205.15865	0.3
209.11771	87.5
210.12103	6.3
211.13338	0.8
217.07048	0.4
221.06596	1.8
223.13354	5.3
224.13863	0.3
225.14806	0.5
227.12843	11.1
228.13454	1.1
235.08220	4.1
245.06734	0.3
251.12868	0.3
253.09273	1.0
256.13116	1.1
263.07709	0.3
264.28406	0.2
265.21667	0.5
275.20142	5.0
276.20496	0.6
287.04990	0.2
287.07648	1.2
293.21219	100.0
294.21548	8.6
305.08908	1.6
309.20792	0.2
317.21143	0.4
323.09760	0.8
379.12418	2.4
397.13492	29.1
398.13821	2.3
415.14569	13.4
416.14905	0.8
485.32788	0.3
503.34344	0.3
589.25153	0.5
592.09241	0.3
607.26190	1.2
636.26062	0.3
654.27985	0.4
673.34265	0.6
691.35541	1.0
748.39569	0.3
880.63104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00201	1.2
66.48553	0.5
69.27666	4.4
80.99659	0.6
83.01250	0.7
95.01268	1.0
101.02343	0.7
107.01266	2.8
108.02061	1.0
109.02831	2.0
109.13365	0.4
110.00005	4.5
111.00764	2.1
118.68364	0.5
121.02843	1.2
123.00787	1.4
124.01527	0.6
125.02319	0.8
136.98694	0.7
137.99522	1.8
139.00284	6.2
148.01506	0.6
149.02345	0.7
151.00288	8.4
152.01083	1.0
163.00317	2.6
164.01074	1.0
165.99020	4.7
166.99754	3.2
169.01285	0.5
174.03133	0.5
178.99794	8.0
187.03894	0.9
189.05450	0.5
190.99646	0.8
193.98656	0.6
194.99202	0.8
198.03116	0.6
199.03932	0.9
201.01851	0.6
203.03459	1.1
206.99324	0.9
208.00031	0.6
211.03912	0.6
215.03316	1.0
226.02617	1.3
227.03506	4.2
231.02994	1.0
242.02193	1.5
243.02966	6.0
244.03635	1.0
245.04532	1.2
255.02989	11.7
256.03317	1.3
259.02545	1.3
270.01666	2.3
271.02484	31.6
272.02997	3.5
273.04007	1.4
283.02469	1.3
287.01935	9.1
288.02496	2.0
298.01160	0.7
299.01981	9.9
300.02756	36.8
301.03500	27.4
302.03824	2.3
315.01443	1.8
315.96793	0.6
316.02240	37.7
317.02982	37.9
318.03271	2.5
420.78799	0.5
447.09323	48.8
448.09665	5.7
449.10205	0.8
462.07953	1.8
463.08823	100.0
464.09097	10.6
817.96234	0.5
933.89148	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00214	0.3
71.07257	0.2
71.54178	0.3
83.01255	0.3
91.01662	0.3
93.03333	0.5
105.39964	0.2
107.01273	0.9
109.02859	0.6
123.04436	3.3
125.02322	1.4
132.02054	0.3
134.06035	1.1
135.00752	0.3
137.02316	0.4
143.04857	0.4
145.02913	0.2
149.02353	0.5
150.03072	0.2
151.00272	0.9
153.01855	0.7
153.05496	4.5
157.06514	0.4
159.04401	0.5
161.02324	0.4
161.21750	0.3
163.00278	1.0
164.01163	0.4
165.01839	0.5
167.04907	0.3
169.06488	0.4
171.04466	0.6
173.41170	0.3
178.04938	0.5
178.99826	0.5
183.04382	0.6
185.05972	0.7
187.03949	1.0
189.05443	0.3
195.04433	0.4
197.05998	0.4
199.03932	0.3
211.03780	1.3
212.04733	0.2
213.05563	0.9
214.02589	0.3
227.03458	25.2
228.03828	1.5
229.05008	4.3
230.05469	0.3
239.03439	0.9
241.05022	0.6
243.02954	0.4
255.02975	37.1
256.03619	5.1
257.04538	3.1
258.05096	0.3
267.02924	0.4
271.02493	0.6
284.03268	49.0
285.04025	56.0
286.04404	3.6
300.02948	0.4
301.03537	0.6
327.05261	0.4
340.10410	0.9
431.09824	100.0
432.10181	9.3
447.08945	0.6
463.08987	0.7
479.16064	0.4
911.32452	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03321	7.6
71.01254	45.7
71.53924	3.5
72.99194	4.6
73.02834	13.5
75.00752	4.6
83.01250	4.0
83.04906	5.9
85.02834	14.7
87.00760	11.6
89.02315	37.9
92.06073	2.3
95.01248	5.6
95.04911	3.1
97.02837	7.9
97.64069	2.4
99.00741	4.7
101.02316	37.7
108.10711	2.2
109.02823	4.1
110.03570	2.5
111.00832	2.5
111.04414	2.7
111.08004	12.9
113.02315	16.5
119.03372	10.5
125.02322	17.2
127.78574	2.9
132.63467	2.7
143.03403	3.7
151.03883	3.8
161.04482	8.7
163.03844	2.5
167.03377	3.4
167.10626	7.9
171.10204	3.9
177.12747	8.0
179.05511	9.0
179.14323	5.1
195.13867	23.8
197.11723	4.9
205.12305	8.1
211.13280	8.2
221.06569	4.2
221.11783	50.0
221.27786	2.7
223.13353	74.1
224.13631	3.7
235.08183	12.1
239.12856	90.5
253.09207	3.4
255.23209	13.6
275.20163	6.3
277.21722	14.5
289.07181	3.6
291.19675	88.2
292.19946	8.6
293.21222	100.0
294.21564	8.2
305.08710	2.8
379.12497	4.5
397.13474	64.3
398.13367	3.5
415.14554	27.8
619.26538	5.4
637.26947	11.6
817.65424	2.9
871.86786	3.8
913.48260	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	915.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
71.03060	2.5
92.24103	1.2
107.01289	2.1
108.02083	1.5
109.02849	15.7
121.02826	2.5
123.04412	8.0
125.02335	4.0
133.02835	2.2
134.13782	1.3
139.18170	1.1
145.02867	1.5
147.04407	1.2
148.01534	1.6
151.00287	9.8
151.03903	5.2
155.39726	1.1
159.04425	1.5
161.02370	5.1
162.02937	1.5
163.00258	2.3
169.01295	1.9
177.01843	15.3
178.99741	5.8
187.04117	1.5
189.01859	34.3
190.02608	6.8
191.03453	5.3
203.03461	5.0
216.00607	5.4
217.01395	29.5
218.01984	4.0
219.02940	11.2
220.77051	1.2
226.02608	2.5
227.03415	1.5
231.03004	9.8
243.03004	8.4
254.02074	1.6
255.02960	23.4
255.05470	1.8
271.02475	43.3
272.02872	4.1
289.07178	3.4
291.00128	1.1
299.02054	2.2
300.02753	91.5
301.03479	37.9
302.03726	3.0
323.05673	1.7
341.06641	84.3
342.06848	7.0
361.68240	1.3
399.07458	1.5
451.10355	100.0
452.10751	10.3
463.08823	90.4
463.15610	2.4
464.09207	10.9
465.09155	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	915.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00198	0.5
68.43354	0.3
69.36279	2.2
69.90862	0.4
81.24728	0.3
107.01247	0.7
108.80902	0.3
109.02834	0.7
121.02894	0.4
123.04359	0.5
125.02285	0.7
137.02362	0.5
148.01619	0.3
149.99492	0.3
151.00261	3.2
151.03958	0.6
153.01852	0.4
163.00269	0.9
174.03227	0.4
177.01830	0.9
178.99788	2.4
183.91811	0.3
189.01825	1.7
190.02632	0.8
191.03352	0.5
199.03828	0.4
201.09236	0.3
203.03336	0.4
213.99527	0.4
216.04169	0.5
217.01421	0.9
226.02682	4.1
227.03337	1.4
231.02945	0.5
243.02940	9.5
244.03424	0.8
245.04579	0.4
254.02193	4.3
255.02942	5.3
271.02478	41.0
272.02951	4.2
299.01962	1.1
300.02753	46.8
301.03436	11.9
302.03870	0.5
341.06665	3.4
343.04871	0.5
344.04413	0.4
360.64627	0.3
451.10306	3.9
452.10156	0.6
462.08026	0.7
463.08820	100.0
464.09161	8.9
676.98846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	2.2
69.20331	3.2
69.20741	6.7
71.01257	31.0
72.99170	2.3
73.02824	7.8
81.03279	1.4
83.01267	4.0
83.04900	3.3
84.02075	1.3
85.02832	8.6
87.00765	6.8
89.02319	18.6
91.03814	1.1
93.03326	1.1
95.01251	2.4
95.04892	1.6
95.48218	1.0
97.02845	5.6
97.03395	0.9
99.00751	2.0
101.02324	16.0
109.02787	1.2
109.06488	6.5
111.00740	1.0
111.04389	1.9
111.08046	2.0
113.02335	13.3
117.30396	1.1
119.03402	5.3
123.04385	1.3
125.02354	8.3
125.09658	2.1
127.11191	4.4
130.48579	1.2
135.08018	1.6
137.02292	1.9
137.09615	1.2
139.25813	1.1
143.03424	3.0
145.02859	1.7
151.03951	1.3
151.11169	1.2
155.10632	2.4
161.04459	3.1
163.11192	6.5
167.03398	1.3
167.10628	1.3
171.10179	42.9
172.10573	1.3
179.05544	5.7
179.10649	1.9
181.12283	4.4
182.21489	1.0
185.11761	3.0
195.13841	7.7
196.14214	1.0
197.11746	3.0
198.14752	1.0
201.11258	35.4
202.11516	2.4
207.10208	17.8
209.11784	22.8
210.12064	2.4
215.12852	2.9
221.06612	2.6
223.13261	5.3
225.11276	49.2
226.11620	3.4
227.03560	1.1
227.12874	5.0
228.13547	1.3
235.08162	4.3
243.12328	4.6
248.85237	1.2
275.20096	6.1
291.19653	11.6
293.21231	100.0
294.21552	10.5
305.08838	1.8
316.64642	1.4
323.09991	1.5
379.12619	3.3
397.13504	42.8
398.14133	2.5
415.14572	16.3
416.14761	1.7
439.14697	2.7
567.22552	1.3
569.24304	2.4
605.24255	5.4
623.25555	8.7
641.26428	1.7
899.46454	9.6
900.46503	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	917.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	1.3
70.65830	1.0
70.66598	2.3
70.66968	1.9
71.01256	32.0
72.99187	2.1
73.02829	6.5
78.95775	1.1
81.03333	2.5
82.87337	1.0
83.01251	3.4
83.04885	1.9
85.02835	7.2
87.00757	4.9
89.02315	15.4
95.01236	2.1
95.04922	1.9
97.02834	4.6
99.00770	1.8
101.02330	16.1
109.02843	1.3
109.06475	3.9
111.00809	1.7
111.08055	2.0
113.02332	9.1
119.03375	3.4
123.04384	1.7
125.02344	8.4
125.09609	3.5
127.11142	3.3
131.03427	1.1
135.08051	1.1
137.02316	1.4
139.11198	1.6
143.03448	2.4
145.02824	1.6
151.03925	1.8
153.36800	1.1
154.56708	0.9
155.10703	1.6
161.04457	3.0
163.11172	4.9
168.07585	0.9
171.08746	2.3
171.10181	30.7
172.10567	1.3
179.05475	4.8
179.10663	1.7
180.66556	1.1
181.12212	2.7
185.11768	1.8
195.13770	6.8
196.14658	1.4
197.11809	2.7
199.13277	1.3
201.11246	24.0
202.11508	1.2
202.88866	1.0
203.05589	1.0
207.10210	13.9
209.11752	14.5
210.12016	1.1
215.12764	2.8
221.06577	3.2
223.13338	6.7
225.11284	34.0
225.14709	1.5
227.12773	3.2
235.08147	4.4
243.12363	3.1
253.09262	1.9
255.02898	1.8
275.20059	7.0
283.02222	1.2
284.03061	1.0
287.07816	1.2
291.19681	12.8
293.21237	100.0
294.21573	6.8
305.08917	1.7
309.20657	3.0
379.12366	3.6
397.13528	32.2
398.13675	2.4
415.14633	15.0
439.14682	2.1
457.15363	1.3
501.32074	1.5
605.24249	2.8
623.25262	6.0
631.73236	1.3
751.43811	1.0
899.45844	7.4
900.46338	1.6
917.27795	1.3
917.46741	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	917.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01756	0.4
67.35921	0.4
67.72769	0.3
69.03332	1.8
71.01256	17.8
71.02013	0.7
71.04897	0.4
72.99180	1.4
73.02828	2.5
75.00782	0.3
80.02555	1.7
81.02912	0.5
81.03324	2.7
83.01263	2.0
83.04901	6.1
83.37648	0.4
84.02048	1.3
85.02821	3.5
87.00749	3.6
89.02322	12.9
89.22122	0.4
95.01269	1.9
95.04890	1.1
97.02833	4.8
97.06468	0.7
99.00732	1.0
99.04412	0.4
101.02327	11.5
108.96061	0.3
109.02840	0.4
109.06496	0.9
111.00818	0.3
111.04416	0.6
111.08052	4.3
113.02332	7.1
115.03817	0.4
119.03387	3.4
123.04431	0.5
124.01535	0.5
125.02354	5.8
125.05977	0.8
125.09595	1.0
131.03365	0.4
135.08121	0.8
137.02312	0.5
137.09637	0.7
139.03838	0.5
143.03400	1.9
147.11720	0.5
149.04488	0.5
151.11246	0.5
153.12730	0.4
161.04472	3.3
161.09590	0.3
163.11206	5.6
165.09114	0.4
165.12761	4.6
169.12288	1.8
169.13483	0.3
171.10208	4.1
179.05539	5.0
179.14340	0.7
181.12294	1.8
183.13814	0.7
185.04456	0.4
185.11772	0.4
191.10690	1.0
193.12198	0.8
194.81850	0.4
197.11771	22.4
198.12073	1.1
199.06056	0.3
199.13330	1.3
201.11215	0.7
207.10284	0.4
209.11777	100.0
210.12123	6.4
211.13350	4.0
217.07184	0.6
221.06522	2.0
223.13228	0.8
225.11258	1.0
225.97391	0.4
227.12845	14.6
228.13167	0.6
235.08173	4.5
245.06583	0.4
247.20639	1.3
251.12863	0.4
253.09270	0.8
263.20224	1.3
265.18124	1.0
273.18549	1.3
287.07767	1.3
291.19675	25.4
292.20093	1.6
293.21176	3.5
305.08752	2.0
309.20712	72.7
310.21088	5.5
323.09720	1.0
333.20679	0.6
379.12384	3.3
397.13507	37.2
398.13940	2.8
415.14594	13.4
416.14706	0.9
501.32092	0.5
542.69031	0.4
573.37561	0.3
577.25696	0.4
589.24854	0.6
607.26038	1.6
658.40405	0.3
689.33850	1.0
707.35016	1.8
738.74939	0.3
917.48236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
64.11686	2.5
69.03314	3.5
71.01249	28.5
71.24931	4.8
72.14065	2.6
72.99168	4.2
73.02792	4.2
78.68343	2.8
83.01256	4.6
85.02810	7.2
85.15368	2.9
87.00729	8.3
89.02316	24.2
97.02782	3.0
101.02315	19.0
113.02314	8.0
116.92753	7.9
119.03376	4.7
120.36185	2.8
125.02304	9.0
161.04568	4.7
167.10603	4.3
179.05548	6.4
195.13800	8.4
205.12297	9.0
223.13345	100.0
224.13785	5.7
235.08170	6.4
255.23235	83.0
260.28711	3.2
287.07913	3.3
379.12283	14.2
397.13501	66.7
398.13492	3.9
415.14529	13.2
603.26569	12.7
621.27710	9.8
653.37238	9.3
859.50250	11.7
860.75000	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	921.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03332	1.8
71.01259	13.1
71.04884	1.8
71.53843	1.5
72.11234	1.5
72.99178	2.1
73.02799	1.8
83.01268	2.2
83.03026	1.1
85.02808	4.7
85.99876	1.3
87.00737	4.8
89.02313	8.6
97.02840	10.1
97.06470	2.9
99.00761	19.3
101.02322	11.0
110.03653	1.2
113.02328	5.4
116.35217	1.2
116.92713	2.2
119.03377	3.0
125.02347	6.6
125.09589	5.5
135.07997	1.4
142.02594	2.9
161.04546	1.8
163.11195	7.7
169.19540	1.2
181.12260	17.3
199.13345	2.1
207.10211	43.3
208.10545	2.0
209.11798	2.4
221.06592	1.6
225.11276	67.1
226.11595	4.2
235.08206	2.9
237.82330	1.5
243.12335	22.0
255.23271	60.9
256.23654	3.1
263.07791	1.7
335.55014	1.3
379.12518	3.0
397.13483	9.0
415.14639	2.5
508.58502	1.4
605.24640	17.9
606.24744	2.1
623.25287	7.1
628.53815	1.7
713.46631	1.2
861.48505	100.0
862.48950	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	923.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28918	0.4
71.54896	0.6
81.88000	0.4
93.03308	0.8
95.19894	0.4
123.04427	2.7
125.02318	0.9
134.03593	0.5
134.46730	0.4
137.02390	0.8
151.00305	0.8
153.05519	2.2
160.01553	1.1
161.02188	0.4
163.00259	0.5
175.03960	1.5
185.05983	0.6
187.03976	0.9
193.04971	0.7
211.03969	1.1
213.05681	0.5
227.03453	24.6
228.03830	1.6
229.05002	3.4
241.05019	0.6
255.02979	34.8
256.03528	5.0
257.04572	2.2
284.03271	41.2
285.04016	50.3
286.04440	3.6
337.09241	3.2
377.85022	0.4
380.05988	0.5
431.09830	100.0
432.10141	11.8
491.15393	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	925.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00186	8.3
69.49443	11.8
83.01245	4.3
83.40599	1.5
83.95561	1.6
107.01278	16.8
135.00740	2.4
137.81900	1.7
151.00279	94.7
152.00558	4.6
167.40764	1.8
169.01277	3.4
178.99777	100.0
180.00127	2.8
197.93884	1.5
243.02966	6.4
255.03172	3.2
271.02484	13.6
287.02109	2.0
299.01926	3.9
300.02765	21.4
301.03366	11.3
315.01447	41.2
316.01923	4.6
326.41180	2.0
607.13177	2.3
609.04779	2.7
609.14587	51.7
610.14600	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	925.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
64.61593	0.3
65.00199	1.8
69.30561	2.7
77.49976	0.3
79.31538	0.3
83.01267	1.6
91.01765	0.4
96.61139	0.3
97.35014	0.3
107.01280	4.2
108.02094	1.6
109.02833	2.4
121.02839	2.9
125.02341	0.4
135.00774	0.9
148.01555	0.9
149.02377	0.6
151.00278	15.7
152.00697	0.4
153.01872	0.6
159.04425	0.4
163.00290	3.5
163.03880	0.4
164.00996	0.6
167.05061	0.4
169.01395	0.7
172.00761	0.3
175.03905	0.5
178.99789	7.1
183.04529	0.4
185.06090	0.3
187.03976	0.4
192.00613	0.3
193.01303	0.4
199.03940	0.9
201.05453	0.8
203.03403	0.6
205.04956	0.4
211.03912	1.9
212.04697	0.3
214.02605	0.3
215.03462	0.8
216.04263	0.4
226.02704	1.4
227.03490	3.8
228.03973	0.6
229.05006	1.3
239.03427	0.6
242.02069	1.0
243.02966	10.7
244.03391	0.6
245.04489	2.6
254.02165	1.6
255.02988	21.4
256.03381	1.7
257.04578	0.9
266.02261	0.4
270.01715	1.1
271.02481	46.8
272.02942	4.2
273.04016	1.4
283.02414	2.0
284.03275	0.9
285.03949	1.6
286.04657	0.6
287.02176	0.4
299.01959	2.0
300.02744	80.9
301.03497	59.2
302.03918	3.8
314.04370	4.9
315.04962	1.3
322.75974	0.3
429.07355	0.3
447.09320	100.0
448.09628	10.6
477.10458	7.7
478.10858	0.6
706.68420	0.4
889.04407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
71.24985	100.0
77.79252	59.7
88.55944	66.3
95.13731	55.1
105.70995	51.4
162.73073	53.2
209.11882	70.9
292.62366	57.0
396.48099	68.1
820.16663	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84424	71.0
70.84772	100.0
101.02428	77.7
114.47700	54.1
118.77988	58.8
134.58746	60.0
136.27901	51.8
163.42731	57.0
167.87914	53.4
182.19901	49.1
184.29153	58.2
209.11728	91.3
228.47124	65.5
411.47598	64.3
656.07202	61.3
879.60999	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41095	1.8
69.41522	1.6
90.22842	0.5
107.01256	1.5
108.02069	0.9
109.02872	1.1
121.02837	1.5
125.83656	0.5
148.01616	0.6
149.13770	0.4
151.00287	8.3
163.00246	2.1
178.99751	4.3
199.04292	0.5
227.03419	1.7
243.02979	4.9
254.02245	1.3
255.02966	14.9
256.03296	1.0
271.02478	31.0
272.02795	3.1
273.03992	1.0
283.02582	0.8
299.01901	1.3
300.02753	100.0
301.03482	45.1
302.03992	2.7
326.82703	0.5
343.04529	0.8
460.30637	0.5
463.08847	97.6
464.09131	9.8
625.08569	0.5
758.06970	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
64.48276	3.9
71.01252	12.0
73.82777	3.2
81.03328	6.9
83.01260	19.0
85.02797	3.5
88.89797	3.4
93.03328	7.5
97.02844	8.4
99.04377	6.1
101.02294	4.1
107.04919	3.1
109.02820	13.2
121.02821	7.8
123.04362	5.5
125.02336	100.0
135.04376	6.9
137.02354	94.7
138.03111	3.4
142.20790	3.3
146.03647	33.9
149.02286	4.0
150.03096	3.2
151.03925	11.5
159.04424	15.0
161.02385	7.6
164.01062	22.7
165.01862	54.5
165.05391	4.0
167.03427	28.9
172.05219	6.1
173.05988	5.2
174.03166	13.1
175.03882	7.7
177.01819	9.5
179.03419	18.0
181.08687	3.2
187.03914	4.8
188.04680	9.0
190.02678	3.8
200.04726	6.5
201.05486	5.4
204.04221	7.0
211.13329	32.2
212.04701	7.8
225.05533	6.4
226.06166	3.4
236.04820	3.3
252.07893	4.1
255.13890	4.1
269.11649	5.3
270.08633	3.3
271.13409	35.0
289.07242	5.5
289.14365	10.7
294.09113	4.3
297.14987	5.6
299.12915	5.7
313.14471	21.7
315.15927	3.6
317.13840	6.4
325.14380	13.3
337.14346	5.7
343.15552	4.6
377.17871	5.9
395.18640	5.7
419.18729	17.2
437.19818	8.3
463.17337	5.5
567.24408	4.8
673.29132	6.8
717.27625	4.6
761.37170	21.8
773.37823	11.3
785.37354	12.1
791.38568	9.5
827.39154	4.5
867.41150	16.9
868.41821	5.4
893.38928	9.2
911.40704	81.1
912.41254	25.6
929.41742	70.9
930.42224	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	931.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01262	5.0
85.02818	4.4
93.03321	4.7
93.81852	1.1
95.04891	2.4
97.02787	2.8
109.02842	20.7
112.72623	1.0
121.02815	2.7
123.04424	16.1
125.02340	88.8
126.02658	2.8
133.02829	4.8
135.04396	4.0
137.02341	17.4
139.03903	1.6
140.32381	1.3
146.03627	1.6
149.02350	5.6
151.03920	11.4
159.04529	3.0
160.05147	1.3
161.02345	24.9
161.05940	3.8
161.65009	1.3
162.02853	1.9
163.00229	3.4
163.03888	4.5
164.01059	5.2
165.01816	5.0
165.54083	1.2
173.04314	1.1
173.06088	1.3
175.03922	8.5
175.07559	1.3
177.01819	5.4
177.05502	1.5
179.03366	4.0
185.05968	2.1
187.03961	7.3
188.04713	3.2
191.05539	36.2
192.05861	1.8
201.05449	1.9
202.06171	1.2
203.03497	2.2
203.07079	7.7
205.01292	2.6
205.04967	5.3
213.05519	1.5
214.02612	1.2
215.03430	1.9
221.08192	2.8
227.03462	1.4
227.07130	2.2
229.05023	2.8
243.02934	2.9
245.04521	7.9
245.08131	11.9
255.02982	11.3
256.03558	6.0
257.04532	2.1
269.04614	2.6
273.04062	6.0
280.28967	1.2
281.04684	2.3
283.02423	1.8
285.04178	2.8
287.05649	20.5
288.05768	1.4
289.07184	70.3
290.07498	4.3
299.05606	9.7
339.08734	3.2
353.08606	4.6
381.09702	2.2
407.07703	81.3
408.08051	6.6
425.08774	100.0
426.09119	8.6
451.04138	1.8
451.10373	28.3
452.10522	2.0
559.12274	4.0
577.13525	81.4
578.13708	11.5
625.92487	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	931.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03802	1.3
69.38280	10.0
71.01255	13.7
73.02805	1.6
78.64375	1.1
81.03350	2.9
83.01259	12.2
85.02843	2.9
89.02304	7.9
93.03328	5.0
95.01265	3.9
95.04903	4.7
97.02818	7.9
101.02324	9.9
105.03338	1.5
107.04893	2.4
108.02045	3.8
109.02837	37.5
111.00800	1.6
113.02339	4.4
117.03351	2.1
119.03385	2.6
119.04898	1.5
121.02857	8.6
122.03621	5.6
123.00734	1.4
123.04421	27.6
124.01562	57.9
125.02349	39.7
126.02694	1.4
131.04942	1.5
133.02850	8.9
135.04387	5.9
137.02341	45.3
138.03062	1.8
139.03928	7.7
145.02881	5.4
146.03639	2.9
147.04471	3.1
149.02351	14.1
149.06041	1.8
150.03175	6.5
150.04185	1.3
151.03920	20.8
159.04463	6.7
160.01614	2.8
160.05185	1.5
161.02353	54.9
161.03706	2.7
161.05949	8.7
162.03094	7.9
163.00269	7.8
163.03894	12.6
163.07436	1.2
164.01045	12.1
164.04509	1.5
165.01833	8.3
167.03410	3.7
173.06010	2.8
174.03152	4.2
175.03906	14.0
175.07573	1.8
176.01080	3.5
177.01866	8.6
177.05486	2.8
178.02469	1.2
179.03397	8.4
185.06003	3.3
187.03937	20.4
188.04706	6.9
189.01889	5.0
189.05331	1.7
191.03442	5.0
199.03989	3.5
200.04692	1.9
201.05510	2.8
202.02678	2.2
202.06290	4.1
203.03436	8.0
203.07062	19.1
204.04163	2.1
205.01398	6.6
205.05020	11.1
211.03931	1.5
212.04694	2.2
213.05501	3.2
215.03519	6.7
215.06993	2.1
216.04086	2.9
217.01430	2.7
217.05086	2.2
221.08138	3.3
227.03432	5.2
227.07079	1.8
228.04202	4.8
229.05061	5.8
230.05864	2.4
231.02988	2.7
237.05565	1.4
239.03360	1.3
240.04245	1.3
241.04921	2.2
242.05826	1.4
243.02975	5.3
244.03848	3.8
245.04396	3.3
245.05544	1.7
245.08163	23.7
246.08405	1.5
247.05968	2.2
255.02974	15.3
256.03741	11.4
257.04489	3.7
267.02914	1.4
269.04611	2.8
271.06125	1.9
273.04041	3.2
279.06537	1.5
281.04596	6.5
283.02518	7.7
283.05804	2.3
286.04861	4.0
287.05682	2.4
288.02844	2.9
289.07193	100.0
290.07611	6.0
295.06046	4.7
296.06635	1.9
297.07687	1.8
299.05591	11.4
299.16510	4.1
323.05844	1.9
329.06628	2.8
339.08807	5.9
341.06647	4.1
407.07581	1.9
433.09464	1.6
435.10831	2.2
451.10367	28.8
452.10498	2.7
479.22867	90.7
480.23248	8.8
505.24368	2.1
518.21143	1.7
519.21753	3.1
529.24567	1.9
531.22644	2.4
580.31000	1.3
583.25598	2.9
599.25000	6.9
609.23376	4.7
627.24561	8.6
641.26086	59.7
642.26630	8.4
642.35797	1.4
643.27411	2.6
735.29657	6.8
761.28143	75.7
762.28705	14.6
779.29254	53.8
780.29718	10.1
913.32538	2.0
931.33832	30.0
932.33685	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	933.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	4.5
71.01257	91.2
71.54414	3.7
72.00423	2.3
72.99181	5.7
73.02816	14.0
78.95786	3.7
79.95612	2.8
83.01270	6.8
83.04910	6.2
85.02837	12.6
87.00764	15.5
87.74960	2.4
89.02316	33.3
95.01251	5.0
95.04919	5.8
96.95879	13.4
97.02838	17.9
97.06438	3.8
99.00807	4.0
101.02330	36.8
109.06465	9.0
111.08032	4.2
113.02337	18.7
119.03409	7.4
123.04414	4.3
125.02333	16.2
125.05968	2.9
125.09583	6.7
127.11095	3.8
135.08044	3.6
137.02370	4.0
139.03957	3.6
139.07610	2.3
143.03381	8.3
147.49519	2.5
155.10693	3.1
161.02351	3.5
161.04480	7.9
162.10651	2.7
163.11217	15.0
165.09207	2.6
165.12790	6.6
167.10657	3.2
169.12181	3.3
170.39336	2.3
171.10179	72.4
172.10547	3.4
179.05519	11.8
179.10693	3.4
181.12267	8.8
185.11705	6.9
197.11765	9.8
199.13376	2.9
201.11266	58.6
202.11598	3.5
207.10237	31.2
209.11752	51.7
211.13318	7.6
215.12892	5.4
221.06754	3.0
225.11285	84.5
226.11559	5.5
227.12811	11.9
235.08195	9.3
237.11122	2.9
243.12328	8.9
247.20609	3.3
253.09218	4.2
273.18570	3.5
289.18155	10.1
291.19638	48.9
292.20096	4.2
293.21158	4.4
305.08664	5.0
307.19321	6.0
309.20743	100.0
310.21042	8.1
341.23291	4.7
379.12473	7.2
397.13480	64.9
398.13876	4.4
409.74142	2.6
415.14700	24.8
416.14902	3.4
439.14536	3.6
539.86401	3.0
569.24744	3.8
586.10620	2.8
605.24609	8.9
623.25452	15.4
689.33014	3.6
915.46112	16.3
933.46790	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	940.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
71.19266	75.0
75.24862	67.6
159.72726	78.0
406.49753	79.2
410.74396	83.8
447.69760	89.3
531.95514	84.9
604.11316	86.7
813.87622	77.2
838.48322	95.4
972.38623	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	941.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91941	3.3
69.27457	28.7
71.01245	12.1
77.95008	3.1
81.03338	9.8
82.55383	3.3
83.01268	17.1
93.03337	8.3
95.01256	4.3
95.04917	4.3
97.02824	10.2
99.04393	4.3
99.68236	3.6
109.02843	15.0
110.81126	3.2
113.02327	4.7
121.02837	9.8
122.03593	6.2
123.04402	8.4
125.02349	100.0
126.02598	5.2
134.03621	3.9
137.02354	87.3
138.02724	4.7
139.03972	4.5
146.03653	31.9
146.81429	3.9
149.02292	8.4
150.03131	6.5
151.03888	9.7
159.04439	9.4
160.05193	5.8
161.02440	4.0
161.05983	6.0
164.01079	20.6
165.01859	49.2
166.02199	4.3
167.03389	23.3
172.05226	3.6
173.06169	3.6
174.03180	8.4
174.06767	5.4
176.04709	4.3
177.01880	6.9
179.03415	12.7
187.03928	3.8
188.04773	6.7
195.06430	3.9
200.04709	4.6
201.05386	4.4
204.04204	5.9
205.04890	4.0
211.51239	3.1
212.04663	6.7
214.08087	3.4
218.43198	3.5
223.13324	8.2
224.04791	3.6
225.05476	4.8
226.06244	3.5
231.30978	3.3
247.55322	3.5
253.12251	3.3
268.07513	5.6
269.11893	5.4
270.09097	6.6
271.13385	35.3
283.13330	6.3
287.12936	4.2
289.14413	13.3
294.09003	4.3
295.13614	4.9
297.14890	5.5
299.12802	8.4
313.14487	17.8
315.16278	4.3
325.14719	7.5
331.15622	7.7
337.14575	8.3
343.15546	6.9
353.17667	3.9
393.17157	3.9
419.18649	13.7
437.19662	9.3
481.18607	4.6
567.24310	8.8
673.28577	11.4
706.07910	3.6
717.27509	5.5
773.37592	19.4
785.37506	18.4
797.37115	7.5
803.37744	10.4
850.40192	4.4
856.47308	4.2
879.41443	14.4
905.40485	5.9
923.40900	81.2
924.41595	16.4
941.41705	49.4
942.41431	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	941.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	3.7
69.57744	3.6
71.01257	23.1
71.04907	0.8
72.99180	2.1
73.02826	3.5
75.00745	1.3
80.96355	1.0
81.03313	1.4
83.01275	2.3
85.02818	5.9
87.00755	5.6
89.02316	16.0
95.01247	1.6
95.04931	1.0
97.02835	2.8
98.20026	2.4
98.20644	0.7
99.00761	1.2
101.02328	16.4
113.02326	9.5
119.03380	3.6
125.02339	6.2
126.16856	0.7
139.03902	1.1
141.01877	0.7
143.03439	2.5
161.04495	3.8
167.10683	2.6
177.12694	0.7
179.05524	5.4
179.10715	1.5
179.14366	3.1
195.13852	8.5
205.12279	9.7
206.12610	1.6
217.07190	1.2
221.06631	2.2
223.13353	100.0
224.13689	5.6
228.36859	0.7
231.18903	0.8
235.08189	5.9
248.71349	0.7
253.09247	1.0
275.20169	0.9
277.21729	70.4
278.22153	4.8
287.07590	1.7
305.08850	2.2
319.23163	0.8
323.09628	0.8
379.12411	10.0
397.13516	52.0
398.13971	4.9
398.18546	0.8
415.14554	11.8
416.14844	1.3
603.26495	8.8
604.27429	1.4
610.77808	0.8
621.27563	7.4
622.27740	1.7
657.34808	1.3
675.36005	4.0
676.36798	1.0
881.49146	3.8
882.49847	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	943.178
Annotation	Unknow
Peak:m/z	Relative Intensity
66.50648	0.5
69.67773	0.5
69.94889	2.5
70.58787	0.6
80.15946	0.5
85.37918	0.5
98.19869	1.0
106.01368	0.6
107.01279	1.4
108.02065	0.7
109.02849	1.2
110.00005	4.4
111.00780	1.8
117.08044	0.7
123.00757	1.5
125.02302	0.6
126.42020	0.6
132.86093	0.5
136.98740	0.6
137.99496	1.6
139.00270	6.5
151.00266	5.6
152.01004	0.7
154.12543	0.6
161.02350	1.0
163.00230	1.6
164.01021	1.0
165.98984	5.8
166.99741	3.3
178.99821	5.6
183.04514	1.1
194.99263	0.7
198.03154	0.8
199.03967	1.5
201.01826	1.2
203.03340	1.0
215.03401	0.6
226.02699	0.9
227.03458	2.4
229.01355	0.7
231.03017	1.4
242.02187	2.4
243.02917	5.6
254.02216	1.2
255.02991	7.1
255.66408	0.6
256.03323	0.9
259.02411	2.0
259.30502	0.6
270.01587	3.5
271.02478	30.2
272.02914	2.2
273.04013	0.8
287.01965	11.4
288.02466	2.5
298.00934	1.0
299.01993	14.5
300.02734	24.2
301.03479	12.9
302.03717	1.1
315.01569	1.6
316.02231	39.6
317.02954	19.4
318.03314	1.9
419.28940	0.6
463.08832	39.0
464.09323	3.5
477.06473	1.0
478.07022	1.7
479.08304	100.0
480.08514	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	943.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98805	2.3
69.03348	2.9
71.01274	19.8
73.02806	3.4
75.00706	3.2
83.01280	3.4
83.30274	2.3
85.02827	4.8
87.00751	7.2
89.02319	8.1
97.02824	17.1
99.00782	25.4
101.02329	7.6
109.06453	2.9
111.03696	2.6
113.02342	7.5
125.02335	11.8
125.09600	7.9
136.05194	2.5
137.02364	2.7
163.11218	7.4
181.12280	19.0
199.13327	6.3
207.10199	60.6
225.11284	92.2
226.11752	4.6
235.08194	3.5
243.12373	34.4
272.88916	2.5
277.21741	49.3
278.22073	4.7
397.13354	8.3
431.37589	2.9
484.14444	3.5
605.24445	29.7
623.25299	25.4
624.25385	3.7
642.72217	2.6
883.46918	100.0
884.47119	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	945.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01774	0.8
69.03313	1.6
71.01250	4.0
73.02814	0.7
77.03831	0.9
81.03335	4.2
83.01249	9.7
83.04889	2.9
85.02813	1.9
87.00716	0.9
89.02309	1.1
92.63217	0.6
93.03323	4.0
95.01256	2.6
95.04901	2.7
97.02825	4.7
98.20532	2.2
99.04405	1.6
101.02332	2.4
107.04896	1.6
108.02055	2.3
108.03181	0.7
109.02841	6.0
109.06448	0.7
113.02354	1.4
119.04919	0.9
121.02845	5.8
122.02840	0.8
122.03638	9.2
123.00793	1.1
123.04431	4.8
124.01530	2.7
125.02337	41.8
133.02841	1.5
134.03644	0.8
135.04405	5.3
135.07976	0.7
136.01567	1.1
136.05222	4.8
137.02347	35.6
138.02667	1.4
139.03929	1.9
145.02840	1.2
145.52615	0.6
146.03613	2.7
147.04390	1.9
148.01541	1.2
148.05203	1.0
149.02353	3.7
149.05951	1.1
150.03130	7.5
151.03922	4.3
153.01886	0.7
154.02650	0.9
159.04469	2.2
160.05101	1.1
161.02341	4.4
161.04390	0.7
161.05959	2.0
162.03152	3.7
163.00282	1.1
163.03909	2.7
163.11111	2.0
164.01060	10.2
164.04707	2.8
165.01849	28.8
165.05472	1.2
165.12776	1.4
166.02286	1.1
167.03394	4.9
171.04407	0.8
172.05257	1.5
173.05965	2.2
174.03239	1.0
174.06721	0.9
175.03899	4.6
175.07556	1.3
176.04662	1.7
177.01871	2.0
177.05466	1.1
179.03453	8.4
183.04442	1.1
186.06880	0.9
187.03923	1.7
188.04733	1.2
189.05463	1.1
190.02573	0.8
191.10762	0.8
195.06535	1.0
197.05959	1.1
199.03912	1.1
199.07594	1.0
200.04668	2.0
201.05542	3.3
202.06258	2.2
203.03418	1.2
203.07123	2.0
204.04228	4.4
205.04936	1.3
209.11778	24.6
211.13350	6.4
212.04587	1.0
213.05540	2.0
215.07072	2.1
216.07791	1.3
217.04919	1.0
219.06606	1.0
225.05440	1.1
227.12871	1.5
228.04256	1.0
229.05103	0.8
241.04968	1.4
243.06577	1.6
244.07375	1.5
245.08206	0.9
245.15611	0.7
253.08992	0.9
257.15427	1.7
259.06180	2.1
259.16998	1.9
269.04459	0.9
271.13455	1.6
273.14969	10.5
274.15189	0.8
283.13904	0.8
283.17111	1.0
285.14954	2.3
287.05664	5.4
287.16486	9.9
288.06305	3.2
289.07101	1.4
291.16061	2.2
297.14926	1.7
299.16556	1.2
301.14438	1.9
303.16028	0.9
305.17569	1.4
313.14355	2.4
315.16010	12.1
316.16354	1.4
325.14624	1.3
325.17966	1.7
327.15869	1.6
333.17117	3.0
339.19614	1.8
343.15399	3.0
343.19168	1.0
345.16934	0.9
353.17612	0.8
355.15604	1.1
361.16467	1.1
367.19247	4.7
369.17050	1.4
385.20093	3.1
395.18729	1.0
397.16403	0.9
409.20221	7.8
413.19803	1.2
427.21289	1.7
437.19595	2.5
447.22406	1.1
481.18655	3.1
561.10431	0.8
691.29407	0.7
735.28912	2.2
736.30243	0.8
748.40375	0.7
807.37677	6.3
808.38464	2.3
819.38141	2.3
861.39130	0.9
883.40759	0.8
901.41779	3.0
927.39899	6.2
928.41425	1.4
945.41284	100.0
946.41534	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	945.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01746	1.1
68.99679	1.4
69.03323	4.7
71.01266	6.3
75.00748	1.1
77.03836	1.1
81.03329	9.3
83.00799	1.5
83.01262	20.7
83.04906	5.3
85.02824	2.4
87.00747	1.0
89.02312	2.5
93.03336	6.2
95.01247	3.0
95.04892	6.7
97.02834	8.4
99.00732	1.0
99.04391	4.9
100.28682	1.0
101.02310	4.4
107.04900	2.6
108.02037	1.8
109.02154	0.9
109.02849	12.6
113.02309	2.0
117.03323	1.2
119.04914	1.7
121.02840	10.8
122.03614	3.5
123.00710	1.2
123.04414	6.1
124.01547	2.5
125.02341	100.0
126.02608	2.8
130.04115	1.6
132.93086	0.8
133.02821	2.5
135.04398	5.0
136.01527	1.1
137.02347	87.5
138.02719	2.7
139.03885	3.8
139.50304	1.0
143.04964	1.1
144.21315	1.0
145.02827	2.5
146.03639	32.3
147.04341	3.8
149.02332	4.8
149.06007	1.1
150.03145	5.3
151.03885	6.8
154.02618	1.5
158.03616	2.6
159.04437	12.2
160.05148	5.2
161.02333	6.5
161.05939	3.9
162.03096	2.1
163.00204	3.0
163.03880	1.3
163.11168	3.3
164.01065	20.2
165.01848	55.4
165.12709	1.9
166.02148	2.7
167.03409	29.6
168.03882	1.0
171.04457	0.9
172.05220	8.5
173.05899	4.8
174.03136	15.2
174.06752	3.9
175.03946	6.6
176.04640	3.0
177.01836	9.3
177.05463	1.4
179.03400	14.0
180.03940	1.1
181.04993	1.2
184.05205	1.7
185.05972	4.1
186.06720	2.7
187.03929	8.1
188.04712	11.7
189.05383	2.3
190.02631	2.3
191.03392	2.4
195.06461	1.6
196.05208	1.1
197.05940	2.8
198.06854	1.2
199.03897	2.7
199.07649	1.0
200.04749	6.7
201.05444	5.8
202.06174	2.2
204.04161	5.7
205.04958	1.8
209.05995	3.2
209.11771	44.2
210.06775	2.9
210.12126	1.9
211.03912	1.9
211.13304	1.9
211.40344	1.0
212.04704	8.6
213.05396	2.2
217.11835	0.8
218.05833	0.9
223.07600	1.0
224.04686	1.8
225.05521	6.5
225.12799	1.9
226.06137	4.3
227.03403	1.4
227.06950	1.7
227.12865	1.8
228.04059	1.4
234.06731	1.6
237.05566	2.1
239.07065	1.9
241.05069	1.0
241.12170	1.1
243.06570	1.5
243.13911	1.9
244.07397	1.6
251.07123	2.2
251.10683	1.0
252.07832	2.9
253.09323	1.2
253.12233	1.4
255.02951	2.1
255.13881	4.3
268.07361	5.1
269.08212	1.9
269.11795	7.0
270.09006	3.3
270.12369	1.4
271.13397	40.0
272.13742	3.7
276.07773	1.9
281.11551	1.0
283.13489	4.9
284.03497	1.1
285.03986	3.5
285.14932	3.5
287.05692	1.8
287.12891	1.6
288.06305	2.8
289.07111	1.5
289.14441	9.0
290.14597	1.5
293.08017	1.2
294.08908	7.3
295.13339	4.3
297.14862	3.8
299.12946	9.1
299.16232	1.6
299.51157	1.3
300.13339	2.3
301.14389	3.8
307.13306	1.5
309.14957	2.1
311.12906	2.2
313.14462	24.1
314.14740	3.0
315.15945	3.5
317.13943	4.9
320.06946	2.3
325.14459	13.4
326.14932	2.2
327.16049	1.6
331.15396	3.1
335.16479	3.9
337.14441	13.2
343.15558	8.2
349.18170	1.5
351.15811	2.7
353.17636	2.7
355.15482	2.7
359.16849	1.1
367.15457	1.1
377.17548	3.9
379.15460	2.3
391.19397	1.4
393.16992	2.5
394.17676	1.4
395.18536	3.9
401.17493	1.6
419.18674	19.1
420.18805	2.7
437.19788	10.7
438.19904	1.7
445.16440	1.7
463.17526	7.9
464.17911	1.5
481.18909	1.6
567.24298	4.8
577.13196	2.0
579.25269	1.3
591.24872	2.2
633.25153	1.0
655.27130	1.3
673.28668	7.1
691.29388	1.5
699.26373	1.2
717.28015	4.7
759.36212	2.2
763.35736	1.4
777.36993	17.9
778.37274	3.2
789.37146	13.2
790.37140	3.9
801.36816	8.1
802.37335	1.9
807.38110	10.0
808.38892	2.0
819.37909	1.2
843.38208	1.3
859.41730	1.8
865.40259	2.1
883.41235	12.9
884.40973	3.1
901.39948	3.4
902.40759	1.1
909.39594	6.7
910.38892	2.2
927.40204	74.4
928.40503	25.8
945.41119	58.1
946.41742	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03321	4.4
71.01265	6.6
81.03323	9.2
83.01259	20.4
83.04894	4.1
84.02052	1.3
85.02802	2.7
87.00725	1.3
89.02326	2.7
93.03347	6.2
95.01254	2.9
95.04888	5.1
97.02828	7.9
99.04396	4.6
101.02306	3.4
106.04110	1.1
107.04894	2.9
108.02034	1.3
109.02838	12.2
113.02317	1.5
119.04936	1.3
120.02037	1.3
121.02841	8.9
122.03613	3.8
123.00777	1.9
123.04401	3.6
124.01532	2.7
125.02339	100.0
126.02654	3.8
133.02831	2.1
134.03622	0.9
135.04430	6.0
137.02345	87.9
138.02710	4.4
139.03876	2.0
145.02832	1.9
146.03639	28.6
147.04344	3.5
148.01605	1.3
149.02347	4.7
149.06021	1.7
150.03160	2.5
151.03935	7.0
158.03600	1.5
159.04436	14.6
160.05237	4.8
161.02332	3.6
161.04526	1.1
161.05980	2.6
162.03131	1.6
163.00298	2.3
163.03911	2.3
163.11191	4.0
164.01059	25.4
165.01845	58.9
165.12729	2.1
166.02135	2.4
167.03423	27.2
167.04843	1.5
169.92610	1.0
172.05211	9.1
173.06000	5.0
174.03137	14.4
174.06708	3.7
175.03955	6.0
176.04663	3.1
177.01857	9.3
179.03423	16.5
181.05023	1.9
181.12253	1.2
182.90965	0.9
184.05215	1.5
185.05992	4.1
186.06767	2.6
187.03941	7.7
188.04686	11.4
189.01849	1.2
189.05412	2.9
190.02643	2.1
191.03476	2.2
197.05931	2.5
199.07510	1.3
200.04730	7.9
200.08395	1.0
201.05461	3.9
202.06250	1.6
204.04214	8.8
209.06009	2.9
209.11780	45.8
210.06761	3.1
210.12123	3.3
211.03932	3.1
211.07527	1.4
212.04745	9.0
213.05484	3.4
215.10539	1.1
217.04901	1.2
223.07622	1.2
224.04741	2.9
224.08406	1.1
225.05602	6.4
225.12834	1.6
226.06198	3.7
227.07018	2.0
227.12929	1.7
227.52246	0.9
228.07819	2.1
230.05815	1.2
235.07623	1.1
237.05646	2.2
239.07040	1.8
241.12209	1.7
243.13922	3.0
244.07298	1.5
251.06956	4.5
252.07866	5.1
253.09140	1.6
255.13811	3.7
265.08640	1.8
267.09698	1.0
268.07327	3.6
269.08795	1.3
269.11807	7.5
269.15109	1.7
270.05713	1.2
270.08969	3.5
270.12466	3.0
271.13385	39.0
272.13788	2.7
276.07983	1.8
281.11713	1.2
283.13385	4.3
285.04074	3.6
285.15018	5.2
287.05649	1.3
287.12906	2.8
288.06262	1.4
289.07123	1.3
289.14511	9.5
294.09006	5.2
295.13406	4.0
297.15070	5.0
299.12903	9.9
300.13544	1.7
301.14398	3.7
309.15048	4.6
311.12881	1.2
312.09802	1.3
313.14465	26.0
314.14893	2.0
315.16034	3.7
317.13931	4.3
318.14185	1.2
320.06815	2.0
325.14462	16.9
325.18140	2.1
326.14740	1.9
327.16193	1.4
329.31778	1.2
331.15500	4.3
335.16519	3.9
337.14456	10.7
338.15060	1.9
343.15482	8.8
344.15601	1.4
351.15930	2.8
353.17685	2.5
355.15512	3.6
369.16937	1.9
377.17691	4.6
379.15485	4.2
391.15082	1.6
393.16815	2.9
395.18616	7.3
401.17694	2.1
419.18732	18.5
420.18939	2.6
437.19733	8.3
445.16046	1.6
463.17502	8.3
481.18918	2.6
553.22717	1.3
567.24554	4.3
577.13464	1.3
591.24371	2.8
597.25610	1.3
673.29132	5.7
674.29083	1.4
699.26099	1.5
717.27856	4.4
759.36359	2.1
761.37799	2.1
763.34991	2.5
777.37067	16.5
778.37067	3.5
783.36310	1.4
789.36920	15.3
790.37244	3.3
801.37085	7.8
802.38013	1.6
807.38000	11.3
819.37927	1.5
841.39795	1.2
843.38263	1.4
859.41125	1.3
865.38519	1.4
883.41101	12.5
884.41742	4.0
901.39667	3.1
909.39117	8.0
910.40045	2.8
927.40198	78.0
928.40533	25.3
928.58923	1.4
945.41272	60.9
946.41589	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	948.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91883	14.8
71.01274	7.9
78.28927	8.2
78.95811	10.5
80.96395	13.9
89.02309	11.4
125.02331	31.4
159.07681	8.2
162.93611	8.1
209.11806	100.0
210.12115	10.0
227.12814	15.3
277.21808	14.3
293.21362	18.7
397.13547	12.2
929.28107	10.8
955.16101	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	948.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92068	42.7
71.01259	25.3
80.96368	23.9
101.02349	22.1
121.01337	24.3
125.02282	74.1
125.71395	24.0
129.48613	19.9
209.11742	100.0
255.23260	40.3
293.21188	21.8
397.13452	72.8
416.24084	24.0
563.20563	26.7
810.87347	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20571	9.1
69.21856	0.8
71.01261	11.2
72.99191	1.0
78.39362	0.9
83.01257	1.7
85.02834	3.3
87.00758	1.5
89.02335	5.3
93.03327	1.2
96.95921	1.3
101.02334	5.5
107.04922	2.2
109.02835	1.4
113.02303	4.7
117.03320	1.3
119.03442	1.5
119.04923	2.1
121.02860	6.7
122.03647	2.2
123.04409	3.5
124.01540	1.2
125.02360	6.1
126.54205	0.9
132.02080	3.8
133.02858	2.1
133.54454	0.9
134.03647	13.8
135.04405	6.0
136.01552	3.2
137.02321	3.9
143.03462	0.9
145.02863	3.0
146.03662	1.2
147.00745	1.5
147.04416	3.9
149.02356	32.7
149.03561	1.9
149.05998	3.4
150.03160	14.8
151.00256	1.2
151.03935	4.9
152.01030	1.6
153.05466	1.7
160.01591	14.5
161.02296	3.6
161.04541	1.1
162.03098	2.6
163.03911	10.0
164.04713	34.7
165.01830	3.4
165.05490	12.0
166.02623	4.5
169.05098	1.1
173.02332	1.7
173.42700	1.0
175.00317	12.7
175.03928	16.0
176.00974	1.4
176.04591	3.3
177.01862	4.0
177.05446	5.7
178.02626	2.6
178.06290	2.0
179.03389	3.5
179.07097	11.8
180.04228	2.1
181.05035	5.0
188.04640	1.6
189.01830	2.2
190.02655	37.1
191.03430	11.4
191.07085	6.0
192.04146	2.1
193.01337	1.8
193.04991	14.9
194.05531	1.4
195.06552	6.7
203.07135	3.1
204.04240	1.5
205.05009	41.4
206.05804	22.2
207.02927	8.8
207.06454	3.5
208.03708	8.8
209.04295	1.2
217.04947	2.1
221.06081	1.9
221.08147	26.7
222.05376	2.1
222.08452	1.6
223.06082	53.6
224.06448	3.0
232.03748	1.0
233.08304	1.4
235.02434	2.3
235.06079	14.2
236.06430	1.1
237.07637	9.0
247.06143	6.4
249.07527	1.3
250.04814	7.7
265.07181	100.0
266.07538	6.7
277.07291	1.3
285.04047	1.2
287.05664	1.8
289.07156	2.2
295.08212	51.9
296.08551	3.9
310.07083	1.4
325.09296	64.0
326.09744	4.7
337.09244	10.8
355.10339	2.8
367.10278	9.3
385.11389	26.6
387.14963	2.2
535.20056	1.8
568.52350	1.0
583.21057	1.1
884.78058	1.1
951.32739	3.6
951.49921	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	958.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
86.85468	19.6
98.19758	38.0
98.20458	100.0
143.56705	22.1
168.08868	18.7
211.72636	21.4
222.09908	18.9
224.37875	19.8
227.23256	20.4
885.47754	22.6
954.56378	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	959.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
68.42788	1.1
69.26402	8.3
72.99168	1.2
83.01244	1.4
92.03569	1.1
95.01254	1.9
96.99200	2.0
100.46905	1.2
107.01271	4.5
109.02824	3.3
109.99995	2.7
111.00711	1.6
121.02909	1.3
122.16233	1.0
123.00764	3.7
123.04441	1.2
125.02345	6.1
133.02841	1.6
137.02333	2.3
139.00278	6.3
139.03859	2.0
141.01857	1.7
143.04959	1.3
148.01570	1.5
149.02299	1.7
149.99474	1.6
151.00279	12.8
152.01042	3.6
154.99785	3.6
161.02338	3.6
163.00316	2.8
163.03783	1.2
164.98187	1.2
165.01788	1.2
165.98988	3.8
166.99779	3.5
167.26865	1.0
168.00592	1.3
169.01331	1.9
171.04463	1.6
174.03136	2.0
175.03903	3.5
176.01051	1.2
177.01846	2.9
178.99814	15.4
181.98514	1.5
187.03937	4.9
189.01891	3.0
190.02667	1.6
193.01302	2.0
194.99313	2.8
199.03902	3.4
201.01855	3.0
203.03468	6.6
206.99310	1.2
215.03462	3.8
217.01387	1.7
217.05054	1.6
219.02927	1.6
227.03424	2.0
231.02885	3.9
232.03629	3.0
241.01344	2.4
242.02205	2.9
243.02959	9.8
244.03407	1.4
245.04439	2.3
247.02333	1.6
251.60774	1.3
255.02930	4.8
257.00912	1.1
258.01816	2.2
259.02460	5.2
269.01062	1.9
270.01721	3.3
270.99698	2.1
271.02481	22.9
272.02808	2.0
286.01215	5.5
287.01984	33.2
288.02640	5.5
289.03400	4.2
297.00522	1.1
299.01944	7.1
300.02737	23.3
301.03473	13.5
302.03827	1.9
303.01450	7.6
304.02023	1.7
314.00708	1.3
315.01480	64.4
316.02170	25.8
317.02960	9.9
318.03519	1.4
331.01324	1.5
332.01703	19.7
333.02469	6.0
353.05060	1.4
395.09927	2.5
403.26959	1.4
451.08850	3.6
463.08795	28.3
464.09076	5.1
477.07004	2.3
478.07401	2.3
479.08279	35.4
480.08511	4.3
494.06650	2.3
495.07785	100.0
496.08078	11.7
630.23669	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	960.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01267	31.1
71.53362	36.0
75.00731	36.3
93.20667	25.9
116.92773	28.6
125.02320	100.0
293.21033	52.5
628.20795	47.2
628.79492	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	963.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11652	0.6
83.01266	0.3
84.00224	0.1
85.02831	0.4
89.02308	0.4
91.01777	0.3
93.03333	0.6
95.01289	0.1
101.02327	0.6
107.01286	1.0
109.02856	0.4
113.02322	0.9
117.03363	0.3
119.03422	0.2
123.04402	0.2
125.02291	0.4
131.04959	0.2
132.02126	0.3
133.02863	0.2
135.00778	0.7
141.06966	0.1
143.04892	0.4
145.02827	0.3
151.00269	1.5
153.01852	0.5
154.04134	0.2
157.06532	0.3
159.04407	0.6
161.02377	0.2
161.04477	0.4
163.00269	1.6
164.01053	0.2
165.01791	0.3
167.04948	0.4
169.06494	0.5
171.04385	0.4
174.03146	0.3
177.01920	0.2
178.99791	0.3
183.04454	0.4
184.05151	0.2
185.05975	1.3
187.03935	1.4
188.03998	0.1
189.05484	0.5
195.04471	0.5
196.05225	0.2
197.06046	0.6
199.03906	0.6
201.05495	0.4
211.03958	1.2
212.04597	0.2
213.05493	1.2
215.03424	0.2
217.05170	0.2
227.03445	15.6
228.03870	1.4
229.05020	5.9
230.05342	0.4
238.93918	0.2
239.03450	1.0
240.04185	0.4
241.04967	0.8
243.02856	0.2
255.02966	31.2
256.03516	4.0
257.04517	4.3
258.04660	0.2
267.03015	0.6
280.54041	0.1
283.02496	0.3
284.03259	40.9
285.04007	53.8
286.04370	4.2
327.05051	0.7
401.18265	0.2
593.15082	100.0
594.15430	15.5
662.70526	0.2
758.12897	0.2
968.45416	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5895
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	2.9
69.34016	0.6
71.00892	1.2
71.01257	18.1
71.13509	0.6
72.01577	0.6
72.99162	1.7
73.02814	1.8
78.95776	19.2
81.03313	1.5
83.01263	2.7
83.04903	1.1
85.02821	10.7
85.99972	0.6
87.00742	4.5
89.02313	14.8
89.02835	1.3
93.03305	0.7
95.01273	1.7
95.04897	0.9
96.95905	1.1
96.96844	1.6
97.02823	3.8
97.06465	1.7
99.00742	0.7
101.02319	13.0
113.02327	6.8
119.03382	3.8
121.02851	0.8
125.02329	6.7
125.09577	0.9
131.03397	0.8
137.02350	2.7
137.09618	1.9
139.03896	0.8
143.03375	2.0
146.03653	1.3
150.03183	0.7
152.99492	13.6
161.04443	2.7
165.01842	2.0
167.03413	1.0
171.00520	2.8
171.10179	22.3
172.10529	1.7
174.03168	1.5
179.05528	2.5
183.13802	1.3
185.04431	0.7
196.31660	0.7
201.11259	1.5
209.11748	1.1
211.13316	10.9
221.11807	2.1
229.14375	8.5
235.08229	6.2
239.12863	1.5
255.23271	37.4
256.23630	1.8
287.07874	1.1
291.19751	3.7
292.19949	1.0
294.40686	0.6
295.17978	0.7
303.20575	0.7
305.09033	1.3
309.20700	6.0
310.21133	0.7
325.14255	0.8
327.21759	100.0
327.97797	0.7
328.22046	8.1
343.15659	1.2
379.12531	1.0
397.13489	55.7
398.13974	3.6
415.14575	15.2
416.14954	1.4
421.05341	0.6
545.29968	0.8
565.44849	0.9
589.20294	0.9
653.37537	5.5
654.37964	0.8
707.35327	6.3
708.35583	1.2
725.36169	2.7
727.23383	1.6
825.42163	8.3
826.42590	2.0
928.12152	0.8
963.44543	14.5
963.59991	1.2
964.44293	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	964.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
68.75728	20.1
69.73739	100.0
71.01289	21.6
71.65516	21.7
102.34142	21.5
107.47144	20.8
125.02359	66.0
137.02362	25.3
151.03917	29.9
209.11818	34.2
302.18698	22.0
310.81973	25.0
447.18811	26.3
513.68262	22.2
521.98364	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	964.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38018	100.0
118.99663	13.8
121.02860	16.9
123.04400	17.6
125.02360	40.9
160.57014	15.8
293.21048	17.3
348.94855	12.8
379.95700	12.5
580.59125	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	967.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99663	0.2
69.03320	0.6
69.82690	0.8
71.01256	7.2
71.04301	0.2
72.99194	0.5
73.02808	0.8
78.95769	0.2
81.03325	0.3
82.11104	0.2
83.01254	0.6
83.04887	0.1
85.02831	1.8
87.00751	2.0
89.02319	6.1
95.01273	0.5
95.04906	0.3
96.95905	0.3
97.02836	1.1
99.00761	0.6
101.02323	5.2
111.00763	0.4
111.08074	0.3
113.02331	2.9
113.09614	0.3
114.88461	0.2
119.03391	1.7
125.02331	2.0
131.03394	0.3
139.03905	0.2
141.01802	0.2
143.03354	0.8
149.04457	0.2
152.99422	0.3
161.04462	1.4
167.03448	0.2
167.10707	0.4
169.12257	0.2
177.12807	0.3
179.05562	2.3
179.14340	0.8
195.13837	7.7
196.14383	0.6
205.12236	0.5
205.15918	0.4
211.13326	0.5
221.06592	1.0
223.13351	4.9
224.13803	0.3
225.14861	0.2
228.13600	0.9
231.21182	0.4
235.08218	1.8
249.22087	0.2
253.09280	0.4
253.21840	0.2
255.23358	0.2
256.13202	1.1
265.21765	0.5
275.20157	4.8
276.20502	0.3
287.07742	0.7
293.21228	100.0
294.21573	6.5
305.08746	0.6
317.21228	0.3
323.09900	0.5
379.12646	1.1
397.13522	15.8
398.14011	0.8
415.14563	9.5
416.14737	0.4
483.26160	0.2
569.42273	1.4
673.34698	0.9
691.35321	1.9
692.36078	0.3
693.78522	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03315	2.0
69.54597	3.7
71.01252	20.0
72.99168	1.3
73.02813	3.6
76.16061	0.6
76.40814	0.7
81.03329	0.7
83.01263	2.4
83.04905	1.0
85.02825	6.6
87.00752	6.9
89.02322	14.1
95.01282	1.5
95.94411	0.7
97.02816	3.8
99.00743	1.1
101.02323	16.7
111.08025	9.5
113.02332	7.7
119.03397	5.0
125.02345	7.1
127.07586	1.0
139.03923	0.8
143.03426	2.7
149.04402	1.1
153.09096	0.8
153.12775	0.8
161.04492	4.0
165.12801	1.2
167.03381	1.2
169.12218	4.2
179.05551	6.0
181.12227	1.1
196.89441	0.7
197.11769	45.1
198.12079	1.8
199.13361	2.7
209.15427	2.0
211.13356	6.8
214.46844	0.7
221.06633	1.9
223.17072	1.2
225.14932	3.1
225.22182	1.3
227.12881	1.0
234.16666	1.0
235.08197	6.5
251.16493	2.0
253.09367	1.2
263.20062	3.6
265.18103	1.3
269.04391	0.7
271.22845	2.6
273.18597	1.7
277.21722	50.8
278.22128	4.3
287.07745	2.1
291.16364	1.0
291.19647	19.6
292.19901	1.9
305.08810	1.7
309.20718	100.0
310.20999	8.2
366.63593	0.7
379.12369	3.1
397.13516	47.4
398.13797	2.9
415.14636	17.2
416.14746	1.0
423.91415	0.8
675.36963	0.9
689.33984	2.3
707.34747	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	973.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	4.5
71.01246	7.0
71.20714	3.3
81.03343	6.2
83.01256	14.4
85.02821	3.4
93.03348	5.6
95.01244	2.5
95.04886	3.6
97.02825	8.1
101.02313	4.4
109.02821	7.8
113.02304	4.5
120.95065	2.3
121.02847	7.8
122.03611	3.4
123.04399	3.8
125.02344	80.2
137.02354	68.9
139.03908	3.9
146.03632	24.8
149.02356	2.5
151.03900	4.7
154.02719	2.2
159.04442	11.5
160.05188	3.4
164.01079	19.4
165.01860	42.2
167.02196	2.3
167.03419	22.0
172.05133	5.2
173.06007	6.3
174.03127	10.3
174.06715	3.0
175.03897	3.6
177.01904	7.2
178.55128	2.4
179.03413	17.4
181.05060	2.5
185.05994	4.7
186.06755	3.4
187.03867	6.8
188.04703	8.3
200.04709	8.7
201.05476	3.9
204.04251	5.3
209.05978	2.6
212.04742	6.6
226.06311	2.6
251.07112	4.3
252.07680	3.1
255.13947	2.5
255.23276	49.5
256.23605	3.2
268.07544	3.5
269.11865	6.7
270.09067	3.0
271.13379	29.1
272.13538	3.7
277.21719	10.9
281.94028	2.3
283.13397	2.6
285.15128	4.3
289.14377	5.7
294.08911	6.0
295.13370	2.6
299.12820	9.0
301.14413	4.4
309.15024	3.4
313.14590	20.8
317.13705	3.8
325.14581	12.4
337.14301	6.2
343.15601	4.6
355.16043	2.3
377.17651	3.1
379.12128	4.1
393.16986	3.0
395.18634	4.9
397.13403	9.6
415.15085	2.6
419.18701	18.9
420.41495	2.9
437.19772	11.4
463.17612	6.3
472.65881	2.5
805.47345	22.5
806.48322	6.9
817.47589	13.3
829.47278	7.7
835.48682	10.0
911.51477	22.8
912.52289	3.9
929.52667	3.8
937.48792	6.5
955.50562	100.0
956.50775	23.8
973.51569	68.6
974.51904	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99675	1.7
69.03335	5.3
69.30860	10.4
69.31267	2.1
71.01255	8.5
77.03829	2.0
81.03332	9.9
83.01260	22.5
83.04911	5.1
88.98708	1.3
89.02347	2.2
89.03829	1.9
89.04443	1.4
93.03350	5.3
95.01261	4.3
95.04921	5.1
96.95921	2.2
97.02836	7.2
98.20517	3.3
99.04408	3.9
101.02328	5.8
103.99652	1.5
108.02073	2.0
109.02837	13.0
113.02335	3.6
121.02852	10.0
122.03645	2.7
123.00783	2.0
123.04418	7.0
124.01584	3.5
125.02341	100.0
126.02711	2.0
133.02878	3.9
134.03638	3.4
135.04402	6.2
136.01588	2.0
137.02345	86.3
138.02823	3.2
139.03943	2.5
145.02942	2.4
146.03642	30.7
147.04390	4.7
149.02371	5.6
150.03081	4.5
151.03946	8.4
159.04413	12.7
160.05205	4.8
161.02338	4.0
161.05981	4.2
162.03146	2.4
163.00266	2.5
163.03958	2.1
163.11179	2.6
164.01065	23.0
165.01854	56.1
165.05518	4.5
166.02261	2.9
167.03426	27.1
172.05219	7.5
173.06009	5.7
174.03111	15.1
174.06786	4.1
175.03957	8.4
176.04735	2.4
177.01831	11.7
178.02354	1.9
179.03412	15.5
180.03954	1.5
181.04979	3.9
181.52414	1.3
185.06000	4.2
186.06769	2.5
187.03906	7.8
188.04724	8.4
189.05496	3.2
190.02690	2.9
191.03337	3.0
193.05016	5.1
196.05313	1.5
197.06081	2.0
199.03926	1.8
200.04704	7.1
201.05525	5.9
204.04247	9.0
209.06091	1.9
209.11781	36.1
210.06839	3.5
211.03885	2.3
212.04778	7.3
212.08411	2.4
213.05464	3.1
214.06198	1.8
225.05519	6.2
225.12685	2.1
226.06279	4.2
227.07101	2.8
228.07602	2.0
237.05441	3.7
239.07176	3.3
243.13872	3.7
244.07396	1.8
251.07214	4.1
252.07939	2.4
253.12308	1.7
255.13876	3.7
265.08743	3.2
267.06674	1.5
268.07422	3.5
269.07880	1.8
269.11823	5.2
269.15533	2.2
270.09052	4.0
270.12344	1.9
271.13400	39.8
272.13721	2.4
283.13455	4.8
285.14932	5.5
287.05798	1.9
287.13092	2.1
288.06448	3.4
289.07275	2.8
289.14508	13.6
294.08939	6.4
295.13419	5.1
297.15067	5.8
299.12943	12.7
300.13516	2.5
301.14386	4.2
309.15128	3.8
313.10931	1.3
313.14453	26.3
314.14807	2.7
315.15927	4.7
317.13940	5.9
325.14404	13.7
326.14795	2.0
331.15512	5.1
335.16428	3.2
337.14450	8.7
343.15427	8.7
344.15820	2.2
351.15933	2.1
353.17511	2.7
355.15512	3.0
377.17551	4.4
379.15408	4.1
391.19220	1.9
393.16803	2.3
395.18723	8.6
401.17426	2.3
413.19467	1.9
419.18665	16.6
420.18817	2.1
437.19748	12.3
445.16806	3.0
463.17542	6.6
567.24359	4.7
591.24384	3.1
673.28845	7.1
717.28064	4.1
759.35767	2.0
777.37134	24.5
778.37146	4.1
789.36871	14.0
790.37469	3.3
801.36896	9.9
807.37891	15.6
808.38513	2.4
883.41394	12.1
884.41687	5.9
901.39722	2.6
909.38824	8.1
910.39569	3.2
927.40198	99.8
928.40393	27.3
945.41260	72.7
946.41443	20.6
959.42523	18.0
960.43549	6.3
977.43939	34.5
978.44269	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	980.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33160	85.0
69.33586	82.1
81.79387	22.8
104.69385	17.6
125.02361	56.9
137.02344	34.8
149.49751	18.7
150.76208	22.4
151.03917	30.5
164.01004	21.5
209.11742	100.0
223.13353	30.4
289.07126	28.6
437.74100	20.1
545.18073	39.5
580.20428	21.6
712.03882	21.4
720.71918	23.2
746.74884	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	980.471
Annotation	Unknow
Peak:m/z	Relative Intensity
90.03378	43.3
102.70338	38.7
125.02360	59.9
130.19786	37.9
134.63580	45.4
203.71040	41.9
209.11868	100.0
343.42062	48.2
752.02411	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66910	100.0
70.67213	92.8
79.57861	62.0
98.23634	64.8
151.03960	84.0
209.11862	78.1
233.59804	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99666	0.7
69.03327	1.4
70.20251	1.5
70.20643	2.1
71.01254	21.3
72.99184	1.6
73.02812	2.0
78.95775	0.9
81.03286	0.8
83.01247	2.1
83.04893	1.2
85.02828	5.7
87.00770	3.3
89.02321	19.3
95.01246	2.1
95.04934	1.3
97.02839	2.7
99.00781	1.1
99.04347	0.8
101.02321	15.4
111.08038	8.2
113.02333	8.7
113.09642	1.0
117.42471	0.7
118.26815	0.7
119.03393	4.7
125.02316	5.4
131.03307	0.7
141.01799	0.8
143.03395	2.9
147.44806	0.7
149.09610	1.0
161.04453	3.2
161.09586	0.8
167.10698	1.8
177.12741	2.1
179.05531	5.5
179.10690	1.6
179.14377	1.6
183.81787	0.8
188.56992	0.7
195.13840	14.0
203.14430	0.8
203.41690	0.7
221.06610	2.4
223.13300	5.8
225.14844	1.0
228.13614	1.0
235.08244	4.9
247.20584	2.2
253.09360	1.0
256.13156	1.6
275.20081	5.3
277.21823	1.3
287.07733	1.2
291.19666	93.3
292.20096	5.5
293.21222	100.0
294.21552	7.4
305.08908	1.0
309.20648	1.2
314.09726	0.9
323.09845	1.4
325.20078	2.2
379.12308	1.9
397.13504	29.0
398.13785	2.3
415.14523	14.7
689.33881	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	983.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	1.4
71.01258	13.9
71.25438	0.6
72.99176	1.3
73.02813	1.7
78.95786	2.5
79.95609	1.7
81.03348	0.8
83.01249	1.2
83.04901	0.7
85.02824	4.1
87.00755	3.7
89.02319	13.0
95.01270	1.3
95.04915	0.6
96.95895	46.1
96.96783	2.4
97.02834	3.9
99.00748	0.9
101.02328	10.3
105.18412	0.3
109.02821	0.4
109.06433	0.4
111.08052	5.7
112.81428	0.3
113.01604	0.6
113.02336	6.5
115.03933	0.4
119.03404	3.6
123.07997	0.4
125.02348	5.2
127.07553	0.5
131.03394	0.8
133.04993	0.3
137.09653	0.8
139.03918	0.5
141.01796	0.4
141.09152	0.6
143.03418	2.5
149.04504	0.5
151.11166	0.4
153.12721	0.5
161.04471	2.9
163.11154	0.3
165.12775	1.8
167.03452	0.4
167.10687	0.5
169.12256	2.6
171.10191	1.7
177.12851	0.5
179.05548	4.7
179.10709	0.5
179.14313	1.0
181.04895	0.4
181.12267	1.0
183.13855	0.5
193.12228	0.5
195.13840	7.7
196.14371	0.8
197.11775	24.9
198.12131	1.3
199.13312	1.5
205.12260	0.9
209.11798	1.3
211.13327	4.8
221.06505	1.8
223.13344	6.3
224.13757	0.5
225.14708	0.4
227.12860	1.4
228.13634	1.0
231.21103	0.6
235.08228	3.7
239.12852	0.4
245.06400	0.4
247.20631	1.1
253.09183	0.9
256.13071	1.0
263.07550	0.5
263.20102	1.2
265.18149	0.6
265.21680	0.4
273.18576	0.6
275.20172	5.9
276.20331	0.5
287.07693	1.2
291.19684	17.7
292.19955	1.5
293.21237	100.0
294.21539	7.9
305.08725	1.6
305.21027	0.4
309.20715	63.2
310.21088	6.0
317.21017	0.4
323.09903	0.8
333.20636	0.4
372.73071	0.4
379.12585	1.8
397.13525	30.2
398.14014	2.2
415.14600	19.2
416.14877	1.6
523.70056	0.4
585.41638	2.5
586.42371	0.5
654.26788	0.4
673.34430	0.6
689.33966	1.3
691.35266	2.4
692.36676	0.5
707.34717	2.5
772.03864	0.4
884.70490	0.3
983.54242	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03311	2.9
71.01251	3.6
71.30882	0.8
76.53126	0.7
79.01778	1.1
81.03329	7.4
83.01256	18.1
85.02829	1.3
89.02304	2.7
93.03328	4.9
95.01252	2.4
95.04895	3.1
97.02842	6.7
99.04407	4.7
101.02306	1.6
107.04942	1.7
109.02831	9.1
113.02347	1.3
120.02067	0.8
121.02853	7.6
122.03623	3.1
122.45121	0.8
123.00765	1.2
123.04390	3.8
124.01540	2.6
124.48434	0.7
125.02335	79.6
126.02652	1.5
131.04912	1.3
133.02834	2.5
135.04443	4.8
137.02342	71.3
138.02710	3.3
139.03946	1.2
146.03636	25.5
147.04362	2.4
148.01509	1.0
149.02362	3.0
149.05998	1.0
150.03108	1.4
151.03928	6.0
158.03654	1.0
159.04417	10.5
160.05171	4.2
161.02315	2.1
161.05934	3.8
162.03062	1.0
163.00255	1.6
163.03874	1.3
164.01067	17.1
165.01846	43.0
166.02217	2.7
167.03406	24.5
167.04539	0.6
168.03677	0.8
172.05170	5.1
173.05954	3.6
174.03127	11.0
174.06744	3.7
175.03813	2.8
176.04695	2.9
177.01894	6.0
178.02238	0.9
179.03432	14.9
181.05034	1.1
184.05211	1.1
185.05980	3.0
186.06789	2.6
187.03922	5.3
188.04741	8.3
189.05417	2.4
191.03479	1.2
196.05254	1.0
197.06020	1.3
199.03850	0.9
199.07535	1.7
200.04678	5.5
201.05513	4.2
204.04190	4.7
209.06013	2.1
210.06795	2.6
210.76529	0.8
211.03975	1.9
211.07755	1.0
211.13322	1.5
212.04742	7.1
213.05424	2.2
214.06163	0.8
217.04852	0.9
222.06670	0.9
223.07423	1.1
224.04799	1.8
225.05510	4.9
225.12753	1.1
226.06253	3.0
227.06982	1.3
228.07895	1.2
236.04578	1.1
237.05557	2.3
238.06146	1.0
239.07175	1.3
243.13977	1.3
244.07527	1.4
250.06430	1.0
251.07095	3.1
252.07857	4.5
255.13866	2.5
266.05142	0.8
268.07428	2.7
269.08246	1.0
269.11783	5.0
269.15176	1.1
270.04880	1.0
270.08911	3.8
271.13403	34.9
272.13663	3.1
277.21716	9.4
278.22095	1.3
283.13397	3.8
285.14963	3.6
287.13043	2.2
288.06390	1.5
289.14420	11.6
290.14859	1.3
293.08212	1.0
294.08853	4.7
295.13312	4.1
297.14801	3.8
299.12939	8.2
299.16278	1.4
300.13614	1.2
301.14511	3.6
307.13220	1.2
309.14880	2.5
311.12860	1.0
313.14453	15.1
314.14746	1.4
315.16013	2.2
317.13892	5.2
318.14520	1.0
320.06857	1.9
322.45474	1.0
325.14438	13.6
326.14609	1.0
331.15472	3.6
335.16470	3.4
337.14523	8.2
343.15503	5.1
344.15665	1.0
351.15994	2.4
353.13580	1.5
353.17566	2.2
355.15543	2.4
369.17105	1.7
375.22739	0.9
377.17752	4.6
379.15363	2.2
391.19376	1.9
393.16992	2.0
395.18661	5.1
413.19629	1.8
419.18655	13.0
420.18710	2.0
437.19690	9.6
438.20047	1.3
445.17062	1.7
445.22836	0.8
463.17731	5.5
481.18307	2.3
525.23633	1.5
567.24371	6.6
591.24359	2.6
597.25653	1.6
655.28070	1.3
673.28510	11.2
674.28955	1.5
691.29199	1.3
699.26355	1.7
717.27637	6.0
785.43811	1.3
797.44220	1.2
813.43640	2.0
827.45978	18.4
828.45776	5.4
839.45813	13.9
840.46460	3.1
851.45807	10.3
852.45978	2.3
857.46759	11.3
858.47247	3.7
869.46460	1.3
893.47321	2.2
909.50049	1.8
933.50232	19.6
934.51263	4.9
951.49432	4.6
959.48492	7.4
960.47650	2.3
977.49048	100.0
978.49316	34.5
995.50110	63.5
996.50488	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	3.6
71.01252	4.5
71.45749	0.9
72.99162	0.8
77.03855	2.3
81.03322	9.9
83.01255	21.3
83.04924	1.0
85.02824	1.5
89.02316	3.1
89.03880	1.0
91.05403	1.0
93.02850	0.9
93.03352	6.5
95.01266	2.5
95.04905	4.1
97.02818	7.0
99.04403	3.6
101.02323	3.1
107.04908	2.6
108.02073	2.1
109.02837	12.9
111.04361	1.0
121.02840	9.9
122.03648	3.3
123.00768	1.2
123.04445	5.6
124.01549	2.1
125.02338	100.0
126.02673	3.1
130.04132	1.2
131.04895	1.2
133.02837	2.1
135.04420	6.6
137.02347	93.5
138.02742	3.1
139.03931	3.0
146.03645	34.3
147.04477	4.6
149.02318	3.4
150.03175	1.3
151.03911	6.8
158.03687	1.7
159.04449	12.4
160.05229	5.5
161.02377	3.1
161.06003	3.2
162.03151	1.7
163.00339	1.6
163.03886	1.3
164.01057	22.6
165.01845	56.7
166.02180	2.5
167.03418	28.8
171.04539	1.4
172.05193	8.2
173.05974	6.6
174.03131	15.9
174.06796	3.9
175.03857	3.9
176.04674	2.8
177.01830	9.3
177.14304	0.9
179.03410	19.3
184.05115	1.4
185.06010	3.3
186.06737	2.9
187.03922	7.5
187.07590	1.8
188.04742	9.6
189.05484	3.4
190.02701	1.1
191.03322	1.2
197.05942	2.2
199.03868	1.9
199.07739	1.3
200.04680	7.9
201.05554	4.9
202.06218	2.0
204.04234	8.0
209.05931	2.3
210.06836	3.7
211.03954	2.4
211.07655	1.3
212.04730	7.0
213.05499	2.4
214.06343	1.8
222.06926	1.3
223.07588	1.8
224.04782	1.2
225.05540	8.0
225.12823	1.3
226.06267	3.7
227.07085	1.3
228.07837	2.1
236.04778	1.2
237.05574	1.7
237.09143	1.4
238.06343	2.0
239.07022	1.6
243.13980	2.6
244.07431	1.2
251.07114	3.9
252.07953	3.7
253.05077	1.0
253.09082	1.2
253.12173	1.7
254.05754	1.3
255.13930	4.6
265.08618	1.5
267.13950	1.3
268.07416	4.0
269.08041	2.2
269.11853	7.2
269.15424	2.4
270.09015	3.0
270.12424	2.4
271.10400	2.1
271.13382	43.0
272.13748	3.9
277.21722	17.4
278.22046	1.1
281.15707	1.2
283.13455	4.4
285.14890	4.4
287.12946	3.5
288.06314	2.2
289.14481	12.3
294.09036	6.1
295.13309	5.3
297.14838	5.0
299.12900	11.6
301.14304	4.6
309.14963	2.8
311.13092	1.0
313.14459	23.9
314.14749	1.7
315.16013	4.2
317.13892	5.5
320.07062	1.9
325.14478	14.4
327.16025	1.3
331.15479	4.6
335.16544	4.0
337.14450	11.9
338.14804	1.5
343.15518	7.6
351.15970	3.4
353.13757	1.1
353.17648	4.6
355.15570	3.5
359.16882	1.4
369.17313	1.6
377.17560	5.8
379.15521	3.4
391.19232	2.6
393.17120	3.9
395.18542	6.1
396.18958	1.2
401.17755	1.4
411.17963	1.1
413.19809	2.5
419.18634	21.3
420.19104	2.6
437.19571	13.2
438.20270	1.5
445.16449	2.1
455.20801	1.0
463.17673	9.1
464.17462	1.2
481.18774	2.2
500.87473	1.0
527.20050	1.0
549.23431	1.6
551.25519	1.3
553.22974	1.3
567.24518	8.0
579.24487	2.0
591.24268	2.4
655.27087	1.2
673.28577	10.8
674.28369	1.6
691.30316	1.4
699.26422	1.7
717.27313	5.2
785.44897	1.9
797.44452	1.5
811.47772	1.8
813.44293	1.7
827.45715	26.5
828.46387	8.6
839.45837	18.3
840.46045	5.5
851.45557	12.8
852.45862	2.3
857.46826	14.1
858.47333	4.9
869.46771	2.4
893.46729	3.2
909.49475	1.8
933.50061	21.0
934.50677	8.8
951.48730	5.2
952.50018	2.2
959.48108	8.7
960.48053	2.9
977.49023	99.9
978.49304	40.6
995.50159	70.7
996.50452	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	995.501
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	3.6
70.40845	2.2
71.01259	4.2
73.02814	0.8
75.67378	0.7
77.03864	1.3
81.03336	8.6
83.01261	19.0
85.02839	1.6
87.00745	0.9
89.02315	1.8
91.05426	0.8
93.03333	6.3
95.01281	3.8
95.04918	4.0
97.02828	7.7
97.57444	0.7
99.04394	5.0
100.39568	0.7
101.02298	1.6
107.04910	2.7
108.02055	0.8
109.02831	11.7
111.04424	0.9
113.02367	1.8
113.05983	1.0
119.04906	0.9
120.02029	0.8
121.02857	10.1
122.03623	3.1
123.00741	1.8
123.04412	3.0
124.01585	2.1
125.02343	98.5
126.02705	3.6
130.04155	1.0
131.04909	1.4
133.02863	2.0
135.04434	4.7
137.02350	89.5
138.02730	2.8
139.03915	3.5
144.05598	0.8
146.03639	29.0
147.04457	4.3
148.01535	1.2
149.02347	3.0
149.05951	1.3
150.03119	2.1
151.03943	5.6
158.03645	1.5
159.04439	14.4
160.05217	6.1
161.02347	2.6
161.06020	2.7
162.03198	0.8
163.00327	1.2
163.03978	1.1
164.01079	19.6
165.01849	49.8
166.02238	1.5
166.91202	0.7
167.03412	26.8
168.03764	1.2
171.04466	0.9
172.05223	8.7
173.06020	7.2
174.03149	14.8
174.06758	4.7
175.03918	6.2
176.04704	2.6
177.01840	8.4
179.03423	17.1
181.04953	1.2
181.08496	0.7
183.04387	1.1
184.05283	0.9
185.05988	3.2
186.06807	2.5
187.03981	5.9
188.04724	8.5
189.05345	2.2
190.02583	1.2
191.03525	1.6
196.05247	1.8
197.05984	1.7
198.06715	2.0
199.04004	0.9
199.07587	2.3
200.04744	7.2
201.05522	5.1
202.06290	1.4
204.04213	7.9
209.06047	2.8
210.06728	2.1
211.03947	3.2
211.07527	2.0
211.13356	1.2
212.04662	7.5
213.05467	2.2
213.09151	0.7
214.06458	0.8
215.07166	1.4
217.04980	1.1
217.12187	1.0
222.06793	1.6
223.07547	2.5
224.04730	2.1
224.08139	0.9
225.05499	6.0
225.12776	1.5
226.06277	4.1
227.07060	1.5
228.07872	1.2
236.04782	1.1
237.05545	2.6
237.09169	1.0
238.06108	1.4
239.07109	2.5
240.04295	0.7
241.12335	1.2
243.06587	0.9
243.13882	2.1
244.07359	1.1
245.12044	0.9
247.07434	1.1
251.07159	3.8
251.10896	0.8
252.07915	5.1
253.12325	1.7
254.05852	1.3
255.13945	3.0
265.08621	1.3
266.09375	0.9
268.07428	4.2
268.10806	0.8
269.08572	1.6
269.11823	8.1
269.15027	1.6
270.09021	4.2
270.12540	2.1
271.13376	35.9
272.13763	2.9
276.07953	1.6
277.21710	21.4
278.19000	0.8
278.22079	2.9
281.11685	1.3
283.13425	4.9
285.14935	4.9
287.12802	1.1
288.06378	2.0
289.14478	6.4
294.08978	7.4
295.09464	1.1
295.13431	3.0
297.14832	4.5
299.12915	9.9
300.13455	1.2
301.14465	2.5
302.14899	0.8
307.13510	0.9
309.14929	3.2
311.12836	0.9
313.14462	19.2
314.14832	1.5
315.16122	2.7
317.13892	3.4
320.06815	1.8
325.14432	14.5
326.14780	1.7
331.15512	2.0
335.16516	2.9
337.14435	9.9
338.14789	1.4
343.15558	6.8
349.18057	1.1
351.15924	1.7
353.17618	2.6
355.15527	1.8
359.16550	1.3
369.16812	1.6
377.17462	6.3
379.15497	3.3
380.15747	1.0
391.15021	1.2
391.19373	1.6
393.17044	3.4
395.18658	6.0
397.16318	1.4
401.17743	1.2
419.12991	1.1
419.18683	21.7
420.18918	2.9
421.16586	1.1
434.27686	0.8
437.19684	10.1
445.16721	3.4
463.17715	10.3
464.17499	1.7
481.18707	1.9
567.24371	3.0
591.24084	1.4
673.28827	5.8
674.29553	1.0
691.29395	1.2
699.27344	2.3
717.27832	2.9
729.48883	0.9
785.45435	1.7
797.44763	1.5
813.44452	2.0
821.45154	1.1
827.45923	19.1
828.46210	6.0
839.46082	14.5
840.45758	3.8
851.45721	9.5
852.46057	2.5
857.46985	12.3
858.47156	4.1
869.46912	1.5
893.47076	2.4
905.50085	1.2
909.49969	2.3
910.51495	0.8
933.50116	20.1
934.50348	6.8
951.49359	5.4
952.49475	2.2
959.48828	7.3
960.47614	2.6
977.49023	100.0
978.49371	33.8
995.50104	67.6
996.50403	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	997.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	2.2
71.54384	1.5
78.00436	1.3
81.03326	3.2
83.01273	8.3
85.02817	1.7
93.03345	5.8
95.01250	1.3
95.04911	1.5
96.95901	1.2
97.02826	5.5
105.03354	2.8
107.04928	1.3
108.02045	2.5
109.02845	31.6
111.00766	1.6
115.05415	1.3
117.03331	2.2
119.04932	1.5
121.02848	12.4
122.03616	1.8
123.00791	1.8
123.04400	19.0
124.01581	1.9
125.02345	72.5
126.02676	1.5
133.02812	4.3
135.04382	3.5
137.02348	43.0
138.03027	1.3
139.03896	5.0
143.04959	1.7
145.02913	1.7
146.03687	1.9
147.04424	2.5
149.02307	13.6
149.05960	1.8
150.03088	4.2
151.03909	12.9
157.06474	2.6
159.04369	6.4
160.01598	2.9
160.05193	1.5
161.02354	53.9
161.06010	5.3
162.02942	4.8
163.00294	9.4
163.03918	6.0
164.01054	6.2
165.01883	9.4
165.05475	1.7
166.02522	2.0
167.03342	2.6
171.04253	1.6
173.05928	1.6
174.03142	2.2
175.03928	18.5
176.01042	2.6
177.01836	9.5
177.05489	1.9
179.03481	6.5
185.05998	2.7
187.03931	10.9
188.04727	5.8
189.01874	2.5
189.05586	2.4
190.02629	1.7
199.03891	5.0
201.01913	2.3
201.05571	3.5
202.06291	2.7
203.03427	4.1
203.07109	12.6
204.07368	1.7
205.01353	4.5
205.05023	11.2
211.03844	3.0
212.04778	2.1
213.05516	3.3
214.02577	1.5
214.06165	1.6
215.03284	2.1
215.06900	1.8
217.01280	1.5
217.05057	3.9
221.08099	2.9
223.05951	1.5
225.05508	2.5
227.03461	3.2
227.07027	2.9
228.04317	1.8
229.05054	4.8
231.03009	2.5
239.07149	1.5
241.04968	3.8
243.02942	4.1
243.06660	2.7
245.04489	6.0
245.08195	18.4
246.08122	2.0
247.06285	1.3
255.02931	12.4
256.03662	4.2
257.04596	4.6
259.13437	3.3
264.81870	1.5
267.03036	1.8
267.06799	2.1
268.03848	1.3
269.04504	5.1
271.05988	1.6
273.04001	2.9
279.03192	2.1
281.04547	4.3
285.04025	14.3
287.05621	13.2
289.07187	100.0
290.07431	4.7
293.04788	1.7
299.05630	22.0
300.05960	2.5
309.04144	1.7
321.07532	2.3
329.06598	2.7
335.05835	1.8
350.07834	3.9
377.14069	2.0
407.07587	23.4
408.07959	2.4
409.09253	1.5
419.15021	19.2
420.15533	2.7
425.08719	5.2
447.07071	2.3
451.10449	35.2
452.10803	3.9
461.08725	7.8
520.69806	1.5
545.18219	81.7
546.18500	11.8
571.19501	1.8
577.14099	2.6
659.32404	1.6
665.20490	4.4
675.18665	2.5
693.20007	19.5
694.20319	4.4
705.20697	1.6
707.21545	18.3
708.22034	4.6
827.23486	22.0
828.23846	6.1
845.24554	22.5
846.24799	6.9
997.28864	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	998.5696
Annotation	Unknow
Peak:m/z	Relative Intensity
71.34077	100.0
83.69360	49.8
182.22652	50.2
343.74792	62.6
377.03998	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	11.2
72.99184	0.8
73.02816	1.9
81.03330	0.8
83.01260	1.5
83.04893	0.6
85.02399	0.5
85.02814	2.4
87.00760	2.9
89.02321	9.6
92.25294	0.5
93.03383	0.5
95.01268	1.2
96.95895	2.2
97.02838	3.7
97.06454	1.0
99.00784	0.7
101.02328	8.6
109.02826	1.2
111.08059	9.5
113.02350	5.3
119.03379	2.7
123.04430	1.9
125.02350	11.0
125.09549	0.6
126.02656	0.9
127.07559	0.7
133.02911	0.7
137.02339	1.4
137.09615	0.8
139.03902	0.5
141.09105	0.6
143.03394	1.8
147.04443	0.7
151.03938	1.3
151.11110	0.7
153.09132	0.6
153.12706	0.8
161.02367	2.0
161.04466	2.3
161.05690	0.5
164.01056	0.6
165.01814	0.5
165.12766	1.4
167.03444	1.6
167.10686	0.6
169.12289	4.4
171.10207	1.6
175.03902	0.9
179.05557	2.8
179.10713	0.9
181.12299	1.5
183.13884	1.0
190.87891	0.5
193.12296	0.8
197.11777	49.9
198.12085	3.0
199.05923	0.5
199.13377	2.8
209.11829	1.3
211.13345	8.0
221.06624	1.0
227.12846	2.1
235.08168	2.8
243.03090	0.8
247.20583	1.3
248.59900	0.5
263.07806	0.6
263.20148	2.7
265.18134	1.2
273.18579	1.2
289.07236	2.3
291.19684	24.1
292.20013	2.1
293.21158	0.7
305.08823	1.5
309.20724	100.0
310.21091	7.4
325.20306	0.6
333.20938	0.6
379.12289	1.6
397.13522	23.1
397.35156	0.5
398.13788	2.2
415.14594	14.2
416.14944	1.0
501.34039	0.6
595.26288	0.8
601.40802	1.2
689.33875	2.1
707.34857	4.0
708.35681	1.2
802.48486	0.5
805.42151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
70.14445	1.9
70.14816	1.5
71.01254	32.4
72.99174	3.3
73.02822	4.2
78.95786	1.0
81.03329	3.1
83.01266	4.0
83.04891	3.4
85.02828	8.7
85.67004	0.7
86.47928	0.9
87.00742	8.6
89.02320	26.0
95.01262	2.6
95.04880	1.7
96.33474	0.9
96.95895	2.0
97.02850	6.6
97.06474	4.0
99.00748	1.9
101.02323	24.7
109.02834	1.9
109.06502	2.0
111.00804	0.9
111.08044	9.9
113.02345	13.9
119.03381	7.4
121.02845	1.8
121.06446	1.1
123.04382	2.5
123.08042	1.0
125.02348	13.8
125.09650	5.2
126.02708	1.0
131.03419	2.5
137.02347	2.2
137.09619	3.0
138.02766	0.8
139.03966	1.3
141.01834	1.2
141.12701	1.3
143.03423	4.5
145.04840	1.0
149.09677	1.6
151.03926	1.5
161.04498	5.6
163.11186	3.8
164.00993	0.8
165.01915	1.3
165.12744	3.0
167.03438	1.5
167.10716	2.7
169.12251	2.0
171.10165	3.4
175.66972	0.8
177.12788	2.3
179.03404	0.8
179.05487	6.4
179.10638	3.0
179.14400	1.7
181.12308	1.6
185.11748	4.5
191.14297	4.7
193.12358	1.1
195.13818	9.3
197.09962	1.5
197.11772	27.6
198.12201	1.5
198.91956	0.9
199.13289	1.1
205.12178	0.9
207.10313	1.9
209.11777	11.6
211.13348	5.6
217.15898	1.4
221.06596	3.0
223.13338	6.6
227.12822	6.1
235.08228	9.0
237.11238	2.3
245.19098	6.9
247.20616	3.0
253.09190	1.2
256.13098	1.5
263.07794	1.5
263.20178	3.8
271.17078	1.6
273.18570	2.4
275.20264	5.1
277.21869	1.1
287.07928	1.4
289.07184	1.1
289.18106	31.7
290.18411	1.9
291.19669	100.0
292.19971	7.7
293.21228	69.9
294.21585	5.7
305.08652	1.3
307.19150	27.7
308.19547	2.7
309.20709	52.7
310.20963	4.0
316.12836	0.9
341.19672	1.1
379.12415	1.7
397.13504	47.4
398.13849	2.6
415.14572	20.7
416.14960	2.2
607.25995	1.6
689.33807	1.4
936.86499	1.0
981.51123	3.2
992.14423	1.1
999.51373	5.0
END